data_19348 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; mouse alpha synuclein N87S mutant- mouse/human chimera ; _BMRB_accession_number 19348 _BMRB_flat_file_name bmr19348.str _Entry_type original _Submission_date 2013-07-09 _Accession_date 2013-07-09 _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 Baum Jean . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 128 "13C chemical shifts" 389 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-25 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19337 'aSyn monomer' 19338 'aSyn A53T monomer' 19344 'aSyn S87N monomer' 19345 'aSyn A53T&S87N monomer' 19346 'aSyn mouse monomer' 19347 'aSyn mouse_T53A monomer' 19349 'aSyn mouse_T53A&N87S monomer' 19350 'acetylated aSyn monomer' 19351 'acetylated aSyn A53T monomer' stop_ _Original_release_date 2013-09-25 save_ ############################# # Citation for this entry # ############################# save_asyn_mouse_N87S_PBS _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mechanistic Insight into the Relationship between N-Terminal Acetylation of -Synuclein and Fibril Formation Rates by NMR and Fluorescence.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24058647 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Lijuan . . 2 Janowska Maria K. . 3 Moriarty Gina M. . 4 Baum Jean . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 8 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e75018 _Page_last e75018 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'aSyn mouse_N87S monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'aSyn mouse_N87S monomer' $aSyn_mouse_N87S 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_aSyn_mouse_N87S _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common aSyn_mouse_N87S _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; DVFMKGLSKAKEGVVAAAEK TKQGVAEAAGKTKEGVLYVG SKTKEGVVHGVTTVAEKTKE QVTNVGGAVVTGVTAVAQKT VEGAGSIAAATGFVKKDQMG KGEEGYPQEGILEDMPVDPG SEAYEMPSEEGYQDYEPEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ASP 2 3 VAL 3 4 PHE 4 5 MET 5 6 LYS 6 7 GLY 7 8 LEU 8 9 SER 9 10 LYS 10 11 ALA 11 12 LYS 12 13 GLU 13 14 GLY 14 15 VAL 15 16 VAL 16 17 ALA 17 18 ALA 18 19 ALA 19 20 GLU 20 21 LYS 21 22 THR 22 23 LYS 23 24 GLN 24 25 GLY 25 26 VAL 26 27 ALA 27 28 GLU 28 29 ALA 29 30 ALA 30 31 GLY 31 32 LYS 32 33 THR 33 34 LYS 34 35 GLU 35 36 GLY 36 37 VAL 37 38 LEU 38 39 TYR 39 40 VAL 40 41 GLY 41 42 SER 42 43 LYS 43 44 THR 44 45 LYS 45 46 GLU 46 47 GLY 47 48 VAL 48 49 VAL 49 50 HIS 50 51 GLY 51 52 VAL 52 53 THR 53 54 THR 54 55 VAL 55 56 ALA 56 57 GLU 57 58 LYS 58 59 THR 59 60 LYS 60 61 GLU 61 62 GLN 62 63 VAL 63 64 THR 64 65 ASN 65 66 VAL 66 67 GLY 67 68 GLY 68 69 ALA 69 70 VAL 70 71 VAL 71 72 THR 72 73 GLY 73 74 VAL 74 75 THR 75 76 ALA 76 77 VAL 77 78 ALA 78 79 GLN 79 80 LYS 80 81 THR 81 82 VAL 82 83 GLU 83 84 GLY 84 85 ALA 85 86 GLY 86 87 SER 87 88 ILE 88 89 ALA 89 90 ALA 90 91 ALA 91 92 THR 92 93 GLY 93 94 PHE 94 95 VAL 95 96 LYS 96 97 LYS 97 98 ASP 98 99 GLN 99 100 MET 100 101 GLY 101 102 LYS 102 103 GLY 103 104 GLU 104 105 GLU 105 106 GLY 106 107 TYR 107 108 PRO 108 109 GLN 109 110 GLU 110 111 GLY 111 112 ILE 112 113 LEU 113 114 GLU 114 115 ASP 115 116 MET 116 117 PRO 117 118 VAL 118 119 ASP 119 120 PRO 120 121 GLY 121 122 SER 122 123 GLU 123 124 ALA 124 125 TYR 125 126 GLU 126 127 MET 127 128 PRO 128 129 SER 129 130 GLU 130 131 GLU 131 132 GLY 132 133 TYR 133 134 GLN 134 135 ASP 135 136 TYR 136 137 GLU 137 138 PRO 138 139 GLU 139 140 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 18232 mouse_alpha-synuclein 100.00 140 99.28 100.00 1.99e-87 BMRB 19346 aSyn_mouse 100.00 140 99.28 100.00 1.99e-87 BMRB 19347 aSyn_mouse_T53A 100.00 140 98.56 99.28 1.15e-86 BMRB 19349 aSyn_mouse_T53A&N87S 100.00 139 99.28 99.28 4.76e-87 DBJ BAB29375 "unnamed protein product [Mus musculus]" 72.66 122 99.01 100.00 1.75e-56 DBJ BAE33670 "unnamed protein product [Mus musculus]" 100.00 140 99.28 100.00 1.99e-87 GB AAB20688 "synuclein SYN1 [Rattus sp.]" 100.00 140 98.56 99.28 8.96e-87 GB AAC00521 "alpha-synuclein [Mus musculus]" 100.00 140 98.56 99.28 1.48e-86 GB AAC16026 "synuclein 1 [Rattus norvegicus]" 100.00 140 98.56 99.28 8.96e-87 GB AAD11254 "alpha-synuclein [Mus musculus]" 100.00 140 99.28 100.00 1.99e-87 GB AAD56907 "alpha-synuclein [Mus musculus]" 100.00 140 99.28 100.00 1.99e-87 REF NP_001035916 "alpha-synuclein [Mus musculus]" 100.00 140 99.28 100.00 1.99e-87 REF NP_033247 "alpha-synuclein [Mus musculus]" 100.00 140 99.28 100.00 1.99e-87 REF NP_062042 "alpha-synuclein [Rattus norvegicus]" 100.00 140 98.56 99.28 8.96e-87 REF XP_003503776 "PREDICTED: alpha-synuclein [Cricetulus griseus]" 100.00 140 98.56 100.00 7.20e-87 REF XP_005360611 "PREDICTED: alpha-synuclein [Microtus ochrogaster]" 100.00 140 98.56 99.28 8.96e-87 SP O55042 "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" 100.00 140 99.28 100.00 1.99e-87 SP P37377 "RecName: Full=Alpha-synuclein" 100.00 140 98.56 99.28 8.96e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $aSyn_mouse_N87S 'House Mouse' 10090 Eukaryota Metazoa Mus musculus 'mouse sequence of aSyn with human mutation N87S' 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 $aSyn_mouse_N87S 'recombinant technology' . Escherichia coli . p7-T7 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 $aSyn_mouse_N87S 350 uM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' Phosphate 10 mM 'natural abundance' NaCl 138 mM 'natural abundance' KCl 2 mM 'natural abundance' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNN_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 150 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CA)CO' '3D HNN' 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 'aSyn mouse_N87S monomer' _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 2 1 ASP C C 176.028 0.1 1 2 2 1 ASP CA C 54.187 0.1 1 3 2 1 ASP CB C 41.531 0.1 1 4 3 2 VAL H H 8.252 0.02 1 5 3 2 VAL C C 175.976 0.1 1 6 3 2 VAL CA C 62.465 0.1 1 7 3 2 VAL CB C 32.598 0.1 1 8 3 2 VAL N N 120.347 0.07 1 9 4 3 PHE H H 8.366 0.02 1 10 4 3 PHE C C 175.900 0.1 1 11 4 3 PHE CA C 57.899 0.1 1 12 4 3 PHE CB C 39.369 0.1 1 13 4 3 PHE N N 123.497 0.07 1 14 5 4 MET H H 8.241 0.02 1 15 5 4 MET C C 176.005 0.1 1 16 5 4 MET CA C 55.291 0.1 1 17 5 4 MET CB C 32.631 0.1 1 18 5 4 MET N N 122.267 0.07 1 19 6 5 LYS H H 8.296 0.02 1 20 6 5 LYS C C 177.160 0.1 1 21 6 5 LYS CA C 56.897 0.1 1 22 6 5 LYS CB C 32.843 0.1 1 23 6 5 LYS N N 122.631 0.07 1 24 7 6 GLY C C 174.208 0.1 1 25 7 6 GLY CA C 45.348 0.1 1 26 8 7 LEU H H 8.080 0.02 1 27 8 7 LEU C C 177.650 0.1 1 28 8 7 LEU CA C 55.162 0.1 1 29 8 7 LEU CB C 42.519 0.1 1 30 8 7 LEU N N 121.597 0.07 1 31 9 8 SER H H 8.346 0.02 1 32 9 8 SER C C 174.588 0.1 1 33 9 8 SER CA C 58.396 0.1 1 34 9 8 SER CB C 63.695 0.1 1 35 9 8 SER N N 116.739 0.07 1 36 10 9 LYS C C 176.691 0.1 1 37 10 9 LYS CA C 56.166 0.1 1 38 10 9 LYS CB C 32.997 0.1 1 39 11 10 ALA H H 8.323 0.02 1 40 11 10 ALA C C 177.916 0.1 1 41 11 10 ALA CA C 52.679 0.1 1 42 11 10 ALA CB C 19.150 0.1 1 43 11 10 ALA N N 125.382 0.07 1 44 12 11 LYS H H 8.367 0.02 1 45 12 11 LYS C C 176.691 0.1 1 46 12 11 LYS CA C 56.412 0.1 1 47 12 11 LYS CB C 33.072 0.1 1 48 12 11 LYS N N 120.931 0.07 1 49 13 12 GLU H H 8.460 0.02 1 50 13 12 GLU N N 122.312 0.07 1 51 14 13 GLY C C 174.034 0.1 1 52 14 13 GLY CA C 45.305 0.1 1 53 15 14 VAL H H 8.004 0.02 1 54 15 14 VAL C C 176.458 0.1 1 55 15 14 VAL CA C 62.508 0.1 1 56 15 14 VAL CB C 32.722 0.1 1 57 15 14 VAL N N 120.180 0.07 1 58 16 15 VAL H H 8.335 0.02 1 59 16 15 VAL C C 176.002 0.1 1 60 16 15 VAL CA C 62.477 0.1 1 61 16 15 VAL CB C 32.786 0.1 1 62 16 15 VAL N N 125.354 0.07 1 63 17 16 ALA H H 8.476 0.02 1 64 17 16 ALA C C 177.672 0.1 1 65 17 16 ALA CA C 52.533 0.1 1 66 17 16 ALA CB C 19.272 0.1 1 67 17 16 ALA N N 128.528 0.07 1 68 18 17 ALA H H 8.342 0.02 1 69 18 17 ALA C C 177.913 0.1 1 70 18 17 ALA CA C 52.667 0.1 1 71 18 17 ALA CB C 19.137 0.1 1 72 18 17 ALA N N 123.742 0.07 1 73 19 18 ALA H H 8.300 0.02 1 74 19 18 ALA C C 178.200 0.1 1 75 19 18 ALA CA C 52.803 0.1 1 76 19 18 ALA CB C 19.085 0.1 1 77 19 18 ALA N N 123.200 0.07 1 78 20 19 GLU H H 8.362 0.02 1 79 20 19 GLU C C 176.944 0.1 1 80 20 19 GLU CA C 56.818 0.1 1 81 20 19 GLU CB C 30.256 0.1 1 82 20 19 GLU N N 120.144 0.07 1 83 21 20 LYS H H 8.368 0.02 1 84 21 20 LYS C C 177.152 0.1 1 85 21 20 LYS CA C 56.673 0.1 1 86 21 20 LYS CB C 32.898 0.1 1 87 21 20 LYS N N 122.321 0.07 1 88 22 21 THR H H 8.162 0.02 1 89 22 21 THR C C 174.698 0.1 1 90 22 21 THR CA C 62.334 0.1 1 91 22 21 THR CB C 69.736 0.1 1 92 22 21 THR N N 115.304 0.07 1 93 23 22 LYS H H 8.376 0.02 1 94 23 22 LYS C C 176.686 0.1 1 95 23 22 LYS CA C 56.859 0.1 1 96 23 22 LYS CB C 32.910 0.1 1 97 23 22 LYS N N 123.825 0.07 1 98 24 23 GLN H H 8.452 0.02 1 99 24 23 GLN C C 176.606 0.1 1 100 24 23 GLN CA C 56.337 0.1 1 101 24 23 GLN CB C 29.601 0.1 1 102 24 23 GLN N N 121.816 0.07 1 103 25 24 GLY H H 8.518 0.02 1 104 25 24 GLY C C 174.262 0.1 1 105 25 24 GLY CA C 45.177 0.1 1 106 25 24 GLY N N 110.579 0.07 1 107 26 25 VAL H H 8.045 0.02 1 108 26 25 VAL C C 176.375 0.1 1 109 26 25 VAL CA C 62.597 0.1 1 110 26 25 VAL CB C 32.803 0.1 1 111 26 25 VAL N N 119.862 0.07 1 112 27 26 ALA H H 8.458 0.02 1 113 27 26 ALA C C 178.131 0.1 1 114 27 26 ALA CA C 52.797 0.1 1 115 27 26 ALA CB C 19.044 0.1 1 116 27 26 ALA N N 127.467 0.07 1 117 28 27 GLU H H 8.436 0.02 1 118 28 27 GLU C C 176.672 0.1 1 119 28 27 GLU CA C 56.847 0.1 1 120 28 27 GLU CB C 30.192 0.1 1 121 28 27 GLU N N 120.627 0.07 1 122 29 28 ALA H H 8.328 0.02 1 123 29 28 ALA C C 177.747 0.1 1 124 29 28 ALA CA C 52.625 0.1 1 125 29 28 ALA CB C 19.225 0.1 1 126 29 28 ALA N N 125.006 0.07 1 127 30 29 ALA H H 8.263 0.02 1 128 30 29 ALA C C 178.472 0.1 1 129 30 29 ALA CA C 52.868 0.1 1 130 30 29 ALA CB C 19.078 0.1 1 131 30 29 ALA N N 123.102 0.07 1 132 31 30 GLY H H 8.346 0.02 1 133 31 30 GLY C C 174.217 0.1 1 134 31 30 GLY CA C 45.344 0.1 1 135 31 30 GLY N N 107.839 0.07 1 136 32 31 LYS H H 8.142 0.02 1 137 32 31 LYS C C 177.016 0.1 1 138 32 31 LYS CA C 56.280 0.1 1 139 32 31 LYS CB C 33.175 0.1 1 140 32 31 LYS N N 120.759 0.07 1 141 33 32 THR H H 8.259 0.02 1 142 33 32 THR C C 174.670 0.1 1 143 33 32 THR CA C 61.811 0.1 1 144 33 32 THR CB C 69.910 0.1 1 145 33 32 THR N N 115.631 0.07 1 146 34 33 LYS H H 8.489 0.02 1 147 34 33 LYS C C 176.489 0.1 1 148 34 33 LYS CA C 56.586 0.1 1 149 34 33 LYS CB C 33.159 0.1 1 150 34 33 LYS N N 123.877 0.07 1 151 35 34 GLU H H 8.471 0.02 1 152 35 34 GLU C C 176.950 0.1 1 153 35 34 GLU CA C 56.946 0.1 1 154 35 34 GLU CB C 30.210 0.1 1 155 35 34 GLU N N 122.202 0.07 1 156 36 35 GLY H H 8.465 0.02 1 157 36 35 GLY C C 174.027 0.1 1 158 36 35 GLY CA C 45.264 0.1 1 159 36 35 GLY N N 110.060 0.07 1 160 37 36 VAL H H 7.936 0.02 1 161 37 36 VAL C C 175.920 0.1 1 162 37 36 VAL CA C 62.334 0.1 1 163 37 36 VAL CB C 32.811 0.1 1 164 37 36 VAL N N 119.602 0.07 1 165 38 37 LEU H H 8.313 0.02 1 166 38 37 LEU C C 176.657 0.1 1 167 38 37 LEU CA C 54.958 0.1 1 168 38 37 LEU CB C 42.565 0.1 1 169 38 37 LEU N N 125.875 0.07 1 170 39 38 TYR H H 8.297 0.02 1 171 39 38 TYR C C 175.590 0.1 1 172 39 38 TYR CA C 57.805 0.1 1 173 39 38 TYR CB C 38.839 0.1 1 174 39 38 TYR N N 122.518 0.07 1 175 40 39 VAL H H 8.113 0.02 1 176 40 39 VAL C C 176.161 0.1 1 177 40 39 VAL CA C 62.184 0.1 1 178 40 39 VAL CB C 32.841 0.1 1 179 40 39 VAL N N 123.368 0.07 1 180 41 40 GLY H H 8.078 0.02 1 181 41 40 GLY C C 173.949 0.1 1 182 41 40 GLY CA C 45.177 0.1 1 183 41 40 GLY N N 112.208 0.07 1 184 42 41 SER C C 174.779 0.1 1 185 42 41 SER CA C 58.388 0.1 1 186 42 41 SER CB C 63.831 0.1 1 187 43 42 LYS H H 8.511 0.02 1 188 43 42 LYS C C 176.869 0.1 1 189 43 42 LYS CA C 56.596 0.1 1 190 43 42 LYS CB C 33.052 0.1 1 191 43 42 LYS N N 123.491 0.07 1 192 44 43 THR H H 8.212 0.02 1 193 44 43 THR C C 174.600 0.1 1 194 44 43 THR CA C 61.851 0.1 1 195 44 43 THR CB C 69.910 0.1 1 196 44 43 THR N N 115.526 0.07 1 197 45 44 LYS H H 8.460 0.02 1 198 45 44 LYS C C 176.489 0.1 1 199 45 44 LYS CA C 56.412 0.1 1 200 45 44 LYS CB C 33.159 0.1 1 201 45 44 LYS N N 123.865 0.07 1 202 46 45 GLU H H 8.489 0.02 1 203 46 45 GLU C C 176.922 0.1 1 204 46 45 GLU N N 122.221 0.07 1 205 47 46 GLY H H 8.495 0.02 1 206 47 46 GLY C C 173.859 0.1 1 207 47 46 GLY CA C 45.274 0.1 1 208 47 46 GLY N N 110.234 0.07 1 209 48 47 VAL H H 7.941 0.02 1 210 48 47 VAL C C 176.008 0.1 1 211 48 47 VAL CA C 62.246 0.1 1 212 48 47 VAL CB C 32.985 0.1 1 213 48 47 VAL N N 120.002 0.07 1 214 49 48 VAL H H 8.318 0.02 1 215 49 48 VAL C C 175.859 0.1 1 216 49 48 VAL CA C 62.169 0.1 1 217 49 48 VAL CB C 32.821 0.1 1 218 49 48 VAL N N 125.273 0.07 1 219 50 49 HIS H H 8.514 0.02 1 220 50 49 HIS C C 175.841 0.1 1 221 50 49 HIS CA C 56.322 0.1 1 222 50 49 HIS CB C 31.154 0.1 1 223 50 49 HIS N N 124.849 0.07 1 224 51 50 GLY H H 8.437 0.02 1 225 51 50 GLY C C 173.841 0.1 1 226 51 50 GLY CA C 45.003 0.1 1 227 51 50 GLY N N 110.704 0.07 1 228 52 51 VAL H H 8.127 0.02 1 229 52 51 VAL C C 176.542 0.1 1 230 52 51 VAL CA C 62.320 0.1 1 231 52 51 VAL CB C 32.958 0.1 1 232 52 51 VAL N N 119.633 0.07 1 233 53 52 THR H H 8.432 0.02 1 234 53 52 THR C C 174.551 0.1 1 235 53 52 THR CA C 61.928 0.1 1 236 53 52 THR CB C 69.731 0.1 1 237 53 52 THR N N 118.920 0.07 1 238 54 53 THR H H 8.298 0.02 1 239 54 53 THR C C 174.372 0.1 1 240 54 53 THR CA C 61.847 0.1 1 241 54 53 THR CB C 69.906 0.1 1 242 54 53 THR N N 117.899 0.07 1 243 55 54 VAL H H 8.289 0.02 1 244 55 54 VAL C C 175.876 0.1 1 245 55 54 VAL CA C 62.246 0.1 1 246 55 54 VAL CB C 32.898 0.1 1 247 55 54 VAL N N 123.237 0.07 1 248 56 55 ALA H H 8.454 0.02 1 249 56 55 ALA C C 177.779 0.1 1 250 56 55 ALA CA C 52.592 0.1 1 251 56 55 ALA CB C 19.150 0.1 1 252 56 55 ALA N N 128.257 0.07 1 253 57 56 GLU H H 8.410 0.02 1 254 57 56 GLU C C 176.710 0.1 1 255 57 56 GLU CA C 56.646 0.1 1 256 57 56 GLU CB C 30.455 0.1 1 257 57 56 GLU N N 120.928 0.07 1 258 58 57 LYS H H 8.455 0.02 1 259 58 57 LYS C C 176.971 0.1 1 260 58 57 LYS CA C 56.586 0.1 1 261 58 57 LYS CB C 33.072 0.1 1 262 58 57 LYS N N 122.893 0.07 1 263 59 58 THR H H 8.243 0.02 1 264 59 58 THR C C 174.646 0.1 1 265 59 58 THR CA C 62.087 0.1 1 266 59 58 THR CB C 69.768 0.1 1 267 59 58 THR N N 115.977 0.07 1 268 60 59 LYS H H 8.415 0.02 1 269 60 59 LYS C C 176.681 0.1 1 270 60 59 LYS CA C 56.499 0.1 1 271 60 59 LYS CB C 32.985 0.1 1 272 60 59 LYS N N 123.749 0.07 1 273 61 60 GLU C C 176.427 0.1 1 274 62 61 GLN H H 8.452 0.02 1 275 62 61 GLN C C 175.972 0.1 1 276 62 61 GLN CA C 55.899 0.1 1 277 62 61 GLN CB C 29.512 0.1 1 278 62 61 GLN N N 121.816 0.07 1 279 63 62 VAL H H 8.315 0.02 1 280 63 62 VAL C C 176.341 0.1 1 281 63 62 VAL CA C 62.334 0.1 1 282 63 62 VAL CB C 32.898 0.1 1 283 63 62 VAL N N 122.001 0.07 1 284 64 63 THR H H 8.329 0.02 1 285 64 63 THR C C 174.057 0.1 1 286 64 63 THR CA C 61.877 0.1 1 287 64 63 THR CB C 69.823 0.1 1 288 64 63 THR N N 118.144 0.07 1 289 65 64 ASN H H 8.552 0.02 1 290 65 64 ASN C C 175.247 0.1 1 291 65 64 ASN CA C 53.134 0.1 1 292 65 64 ASN CB C 38.935 0.1 1 293 65 64 ASN N N 121.877 0.07 1 294 66 65 VAL H H 8.271 0.02 1 295 66 65 VAL C C 176.862 0.1 1 296 66 65 VAL CA C 62.716 0.1 1 297 66 65 VAL CB C 32.521 0.1 1 298 66 65 VAL N N 120.776 0.07 1 299 67 66 GLY H H 8.587 0.02 1 300 67 66 GLY C C 174.674 0.1 1 301 67 66 GLY CA C 45.351 0.1 1 302 67 66 GLY N N 112.677 0.07 1 303 68 67 GLY H H 8.264 0.02 1 304 68 67 GLY C C 173.738 0.1 1 305 68 67 GLY CA C 45.090 0.1 1 306 68 67 GLY N N 108.879 0.07 1 307 69 68 ALA H H 8.194 0.02 1 308 69 68 ALA C C 177.660 0.1 1 309 69 68 ALA CA C 52.318 0.1 1 310 69 68 ALA CB C 19.401 0.1 1 311 69 68 ALA N N 123.836 0.07 1 312 70 69 VAL H H 8.245 0.02 1 313 70 69 VAL C C 176.336 0.1 1 314 70 69 VAL CA C 62.454 0.1 1 315 70 69 VAL CB C 32.701 0.1 1 316 70 69 VAL N N 120.537 0.07 1 317 71 70 VAL H H 8.420 0.02 1 318 71 70 VAL C C 176.276 0.1 1 319 71 70 VAL CA C 62.203 0.1 1 320 71 70 VAL CB C 32.777 0.1 1 321 71 70 VAL N N 125.445 0.07 1 322 72 71 THR H H 8.335 0.02 1 323 72 71 THR C C 174.916 0.1 1 324 72 71 THR CA C 61.898 0.1 1 325 72 71 THR CB C 69.910 0.1 1 326 72 71 THR N N 118.684 0.07 1 327 73 72 GLY H H 8.468 0.02 1 328 73 72 GLY C C 174.028 0.1 1 329 73 72 GLY CA C 45.275 0.1 1 330 73 72 GLY N N 111.402 0.07 1 331 74 73 VAL H H 8.112 0.02 1 332 74 73 VAL C C 176.560 0.1 1 333 74 73 VAL CA C 62.419 0.1 1 334 74 73 VAL CB C 32.881 0.1 1 335 74 73 VAL N N 119.584 0.07 1 336 75 74 THR H H 8.326 0.02 1 337 75 74 THR C C 174.084 0.1 1 338 75 74 THR CA C 61.898 0.1 1 339 75 74 THR CB C 69.910 0.1 1 340 75 74 THR N N 118.974 0.07 1 341 76 75 ALA H H 8.399 0.02 1 342 76 75 ALA C C 177.576 0.1 1 343 76 75 ALA CA C 52.473 0.1 1 344 76 75 ALA CB C 19.319 0.1 1 345 76 75 ALA N N 127.451 0.07 1 346 77 76 VAL H H 8.168 0.02 1 347 77 76 VAL C C 176.023 0.1 1 348 77 76 VAL CA C 62.205 0.1 1 349 77 76 VAL CB C 32.801 0.1 1 350 77 76 VAL N N 120.116 0.07 1 351 78 77 ALA H H 8.435 0.02 1 352 78 77 ALA C C 177.637 0.1 1 353 78 77 ALA CA C 52.592 0.1 1 354 78 77 ALA CB C 19.150 0.1 1 355 78 77 ALA N N 128.202 0.07 1 356 79 78 GLN H H 8.418 0.02 1 357 79 78 GLN C C 175.953 0.1 1 358 79 78 GLN CA C 55.727 0.1 1 359 79 78 GLN CB C 29.688 0.1 1 360 79 78 GLN N N 120.384 0.07 1 361 80 79 LYS H H 8.464 0.02 1 362 80 79 LYS C C 176.690 0.1 1 363 80 79 LYS CA C 56.237 0.1 1 364 80 79 LYS CB C 33.159 0.1 1 365 80 79 LYS N N 123.315 0.07 1 366 81 80 THR H H 8.319 0.02 1 367 81 80 THR C C 174.445 0.1 1 368 81 80 THR CA C 61.898 0.1 1 369 81 80 THR CB C 69.823 0.1 1 370 81 80 THR N N 116.961 0.07 1 371 82 81 VAL H H 8.328 0.02 1 372 82 81 VAL C C 176.156 0.1 1 373 82 81 VAL CA C 62.333 0.1 1 374 82 81 VAL CB C 32.816 0.1 1 375 82 81 VAL N N 123.099 0.07 1 376 83 82 GLU H H 8.609 0.02 1 377 83 82 GLU C C 177.043 0.1 1 378 83 82 GLU CA C 56.758 0.1 1 379 83 82 GLU CB C 30.370 0.1 1 380 83 82 GLU N N 125.401 0.07 1 381 84 83 GLY H H 8.544 0.02 1 382 84 83 GLY C C 174.160 0.1 1 383 84 83 GLY CA C 45.351 0.1 1 384 84 83 GLY N N 110.773 0.07 1 385 85 84 ALA H H 8.289 0.02 1 386 85 84 ALA C C 178.497 0.1 1 387 85 84 ALA CA C 52.754 0.1 1 388 85 84 ALA CB C 19.312 0.1 1 389 85 84 ALA N N 123.989 0.07 1 390 86 85 GLY H H 8.522 0.02 1 391 86 85 GLY C C 174.310 0.1 1 392 86 85 GLY CA C 45.177 0.1 1 393 86 85 GLY N N 108.235 0.07 1 394 87 86 SER H H 8.177 0.02 1 395 87 86 SER C C 174.725 0.1 1 396 87 86 SER CA C 58.326 0.1 1 397 87 86 SER CB C 63.899 0.1 1 398 87 86 SER N N 115.743 0.07 1 399 88 87 ILE H H 8.221 0.02 1 400 88 87 ILE C C 176.276 0.1 1 401 88 87 ILE CA C 61.371 0.1 1 402 88 87 ILE CB C 38.624 0.1 1 403 88 87 ILE N N 122.821 0.07 1 404 89 88 ALA H H 8.374 0.02 1 405 89 88 ALA C C 177.570 0.1 1 406 89 88 ALA CA C 52.580 0.1 1 407 89 88 ALA CB C 19.138 0.1 1 408 89 88 ALA N N 128.122 0.07 1 409 90 89 ALA H H 8.236 0.02 1 410 90 89 ALA C C 177.724 0.1 1 411 90 89 ALA CA C 52.454 0.1 1 412 90 89 ALA CB C 19.191 0.1 1 413 90 89 ALA N N 123.424 0.07 1 414 91 90 ALA H H 8.316 0.02 1 415 91 90 ALA C C 178.136 0.1 1 416 91 90 ALA CA C 52.657 0.1 1 417 91 90 ALA CB C 19.128 0.1 1 418 91 90 ALA N N 123.455 0.07 1 419 92 91 THR H H 8.120 0.02 1 420 92 91 THR C C 175.158 0.1 1 421 92 91 THR CA C 61.951 0.1 1 422 92 91 THR CB C 69.774 0.1 1 423 92 91 THR N N 112.669 0.07 1 424 93 92 GLY H H 8.334 0.02 1 425 93 92 GLY C C 173.622 0.1 1 426 93 92 GLY CA C 45.177 0.1 1 427 93 92 GLY N N 110.744 0.07 1 428 94 93 PHE H H 8.109 0.02 1 429 94 93 PHE C C 175.480 0.1 1 430 94 93 PHE CA C 57.787 0.1 1 431 94 93 PHE CB C 39.733 0.1 1 432 94 93 PHE N N 120.367 0.07 1 433 95 94 VAL H H 8.089 0.02 1 434 95 94 VAL C C 175.417 0.1 1 435 95 94 VAL CA C 61.968 0.1 1 436 95 94 VAL CB C 33.116 0.1 1 437 95 94 VAL N N 123.775 0.07 1 438 96 95 LYS H H 8.418 0.02 1 439 96 95 LYS C C 176.500 0.1 1 440 96 95 LYS CA C 56.349 0.1 1 441 96 95 LYS CB C 33.067 0.1 1 442 96 95 LYS N N 126.410 0.07 1 443 97 96 LYS H H 8.494 0.02 1 444 97 96 LYS C C 176.395 0.1 1 445 97 96 LYS CA C 56.412 0.1 1 446 97 96 LYS CB C 33.159 0.1 1 447 97 96 LYS N N 123.891 0.07 1 448 98 97 ASP H H 8.438 0.02 1 449 98 97 ASP C C 176.270 0.1 1 450 98 97 ASP CA C 54.595 0.1 1 451 98 97 ASP CB C 41.096 0.1 1 452 98 97 ASP N N 121.237 0.07 1 453 99 98 GLN H H 8.372 0.02 1 454 99 98 GLN C C 176.108 0.1 1 455 99 98 GLN CA C 56.063 0.1 1 456 99 98 GLN CB C 29.763 0.1 1 457 99 98 GLN N N 120.166 0.07 1 458 100 99 MET H H 8.436 0.02 1 459 100 99 MET C C 176.858 0.1 1 460 100 99 MET CA C 55.802 0.1 1 461 100 99 MET CB C 32.898 0.1 1 462 100 99 MET N N 120.974 0.07 1 463 101 100 GLY H H 8.520 0.02 1 464 101 100 GLY C C 174.102 0.1 1 465 101 100 GLY CA C 45.310 0.1 1 466 101 100 GLY N N 110.284 0.07 1 467 102 101 LYS H H 8.298 0.02 1 468 102 101 LYS C C 177.303 0.1 1 469 102 101 LYS CA C 56.324 0.1 1 470 102 101 LYS CB C 32.985 0.1 1 471 102 101 LYS N N 120.910 0.07 1 472 103 102 GLY H H 8.575 0.02 1 473 103 102 GLY C C 174.310 0.1 1 474 103 102 GLY CA C 45.329 0.1 1 475 103 102 GLY N N 110.649 0.07 1 476 104 103 GLU H H 8.349 0.02 1 477 104 103 GLU C C 176.761 0.1 1 478 104 103 GLU CA C 56.324 0.1 1 479 104 103 GLU CB C 30.332 0.1 1 480 104 103 GLU N N 120.667 0.07 1 481 105 104 GLU H H 8.620 0.02 1 482 105 104 GLU C C 176.909 0.1 1 483 105 104 GLU CA C 57.044 0.1 1 484 105 104 GLU CB C 30.124 0.1 1 485 105 104 GLU N N 121.798 0.07 1 486 106 105 GLY H H 8.399 0.02 1 487 106 105 GLY C C 173.449 0.1 1 488 106 105 GLY CA C 44.837 0.1 1 489 106 105 GLY N N 109.619 0.07 1 490 107 106 TYR H H 8.054 0.02 1 491 107 106 TYR C C 174.055 0.1 1 492 107 106 TYR CA C 55.802 0.1 1 493 107 106 TYR CB C 38.105 0.1 1 494 107 106 TYR N N 121.305 0.07 1 495 108 107 PRO C C 176.882 0.1 1 496 108 107 PRO CA C 63.304 0.1 1 497 108 107 PRO CB C 32.074 0.1 1 498 109 108 GLN H H 8.573 0.02 1 499 109 108 GLN C C 176.058 0.1 1 500 109 108 GLN CA C 55.886 0.1 1 501 109 108 GLN CB C 29.672 0.1 1 502 109 108 GLN N N 121.317 0.07 1 503 110 109 GLU H H 8.565 0.02 1 504 110 109 GLU C C 176.848 0.1 1 505 110 109 GLU CA C 56.673 0.1 1 506 110 109 GLU CB C 30.634 0.1 1 507 110 109 GLU N N 122.292 0.07 1 508 111 110 GLY H H 8.510 0.02 1 509 111 110 GLY C C 173.737 0.1 1 510 111 110 GLY CA C 45.177 0.1 1 511 111 110 GLY N N 110.272 0.07 1 512 112 111 ILE H H 8.011 0.02 1 513 112 111 ILE C C 176.244 0.1 1 514 112 111 ILE CA C 60.984 0.1 1 515 112 111 ILE CB C 38.648 0.1 1 516 112 111 ILE N N 120.163 0.07 1 517 113 112 LEU H H 8.433 0.02 1 518 113 112 LEU C C 177.161 0.1 1 519 113 112 LEU CA C 54.987 0.1 1 520 113 112 LEU CB C 42.357 0.1 1 521 113 112 LEU N N 127.065 0.07 1 522 114 113 GLU H H 8.453 0.02 1 523 114 113 GLU C C 175.881 0.1 1 524 114 113 GLU CA C 56.586 0.1 1 525 114 113 GLU CB C 30.460 0.1 1 526 114 113 GLU N N 122.304 0.07 1 527 115 114 ASP H H 8.388 0.02 1 528 115 114 ASP C C 175.781 0.1 1 529 115 114 ASP CA C 54.321 0.1 1 530 115 114 ASP CB C 41.162 0.1 1 531 115 114 ASP N N 121.456 0.07 1 532 116 115 MET H H 8.279 0.02 1 533 116 115 MET C C 174.067 0.1 1 534 116 115 MET CA C 53.363 0.1 1 535 116 115 MET CB C 32.550 0.1 1 536 116 115 MET N N 122.045 0.07 1 537 117 116 PRO C C 176.747 0.1 1 538 117 116 PRO CA C 62.883 0.1 1 539 117 116 PRO CB C 32.133 0.1 1 540 118 117 VAL H H 8.334 0.02 1 541 118 117 VAL C C 175.801 0.1 1 542 118 117 VAL CA C 62.023 0.1 1 543 118 117 VAL CB C 32.986 0.1 1 544 118 117 VAL N N 120.970 0.07 1 545 119 118 ASP H H 8.584 0.02 1 546 119 118 ASP C C 174.848 0.1 1 547 119 118 ASP CA C 51.978 0.1 1 548 119 118 ASP CB C 41.288 0.1 1 549 119 118 ASP N N 126.159 0.07 1 550 120 119 PRO C C 177.639 0.1 1 551 120 119 PRO CA C 63.701 0.1 1 552 120 119 PRO CB C 32.138 0.1 1 553 121 120 GLY H H 8.577 0.02 1 554 121 120 GLY C C 174.567 0.1 1 555 121 120 GLY CA C 45.325 0.1 1 556 121 120 GLY N N 108.991 0.07 1 557 122 121 SER H H 8.134 0.02 1 558 122 121 SER C C 174.806 0.1 1 559 122 121 SER CA C 58.548 0.1 1 560 122 121 SER CB C 63.878 0.1 1 561 122 121 SER N N 115.706 0.07 1 562 123 122 GLU H H 8.553 0.02 1 563 123 122 GLU C C 176.154 0.1 1 564 123 122 GLU CA C 56.712 0.1 1 565 123 122 GLU CB C 30.009 0.1 1 566 123 122 GLU N N 122.976 0.07 1 567 124 123 ALA H H 8.227 0.02 1 568 124 123 ALA C C 177.156 0.1 1 569 124 123 ALA CA C 52.294 0.1 1 570 124 123 ALA CB C 19.229 0.1 1 571 124 123 ALA N N 124.432 0.07 1 572 125 124 TYR H H 8.043 0.02 1 573 125 124 TYR C C 175.328 0.1 1 574 125 124 TYR CA C 57.702 0.1 1 575 125 124 TYR CB C 38.962 0.1 1 576 125 124 TYR N N 119.955 0.07 1 577 126 125 GLU H H 8.168 0.02 1 578 126 125 GLU C C 175.456 0.1 1 579 126 125 GLU CA C 55.655 0.1 1 580 126 125 GLU CB C 30.762 0.1 1 581 126 125 GLU N N 123.813 0.07 1 582 127 126 MET H H 8.445 0.02 1 583 127 126 MET C C 174.239 0.1 1 584 127 126 MET CA C 53.226 0.1 1 585 127 126 MET CB C 32.463 0.1 1 586 127 126 MET N N 123.888 0.07 1 587 128 127 PRO C C 176.893 0.1 1 588 128 127 PRO CA C 63.070 0.1 1 589 128 127 PRO CB C 32.200 0.1 1 590 129 128 SER H H 8.515 0.02 1 591 129 128 SER C C 174.809 0.1 1 592 129 128 SER CA C 58.290 0.1 1 593 129 128 SER CB C 63.870 0.1 1 594 129 128 SER N N 116.835 0.07 1 595 130 129 GLU H H 8.609 0.02 1 596 130 129 GLU C C 176.521 0.1 1 597 130 129 GLU CA C 56.541 0.1 1 598 130 129 GLU CB C 30.321 0.1 1 599 130 129 GLU N N 123.263 0.07 1 600 131 130 GLU H H 8.496 0.02 1 601 131 130 GLU C C 176.962 0.1 1 602 131 130 GLU CA C 57.033 0.1 1 603 131 130 GLU CB C 30.210 0.1 1 604 131 130 GLU N N 122.050 0.07 1 605 132 131 GLY H H 8.441 0.02 1 606 132 131 GLY C C 173.845 0.1 1 607 132 131 GLY CA C 45.102 0.1 1 608 132 131 GLY N N 110.019 0.07 1 609 133 132 TYR H H 8.098 0.02 1 610 133 132 TYR C C 175.749 0.1 1 611 133 132 TYR CA C 58.340 0.1 1 612 133 132 TYR CB C 38.778 0.1 1 613 133 132 TYR N N 120.379 0.07 1 614 134 133 GLN H H 8.256 0.02 1 615 134 133 GLN C C 174.871 0.1 1 616 134 133 GLN CA C 55.409 0.1 1 617 134 133 GLN CB C 29.845 0.1 1 618 134 133 GLN N N 122.814 0.07 1 619 135 134 ASP H H 8.264 0.02 1 620 135 134 ASP C C 175.521 0.1 1 621 135 134 ASP CA C 54.334 0.1 1 622 135 134 ASP CB C 41.194 0.1 1 623 135 134 ASP N N 121.772 0.07 1 624 136 135 TYR H H 8.064 0.02 1 625 136 135 TYR C C 175.077 0.1 1 626 136 135 TYR CA C 57.607 0.1 1 627 136 135 TYR CB C 39.138 0.1 1 628 136 135 TYR N N 120.576 0.07 1 629 137 136 GLU H H 8.285 0.02 1 630 137 136 GLU C C 173.708 0.1 1 631 137 136 GLU CA C 53.567 0.1 1 632 137 136 GLU CB C 30.290 0.1 1 633 137 136 GLU N N 125.501 0.07 1 634 138 137 PRO C C 176.878 0.1 1 635 138 137 PRO CA C 63.042 0.1 1 636 138 137 PRO CB C 32.213 0.1 1 637 139 138 GLU H H 8.554 0.02 1 638 139 138 GLU C C 175.405 0.1 1 639 139 138 GLU CA C 56.627 0.1 1 640 139 138 GLU CB C 30.320 0.1 1 641 139 138 GLU N N 121.667 0.07 1 642 140 139 ALA H H 8.023 0.02 1 643 140 139 ALA CA C 53.802 0.1 1 644 140 139 ALA CB C 20.233 0.1 1 645 140 139 ALA N N 130.996 0.07 1 stop_ save_