data_19346 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; mouse alpha synuclein ; _BMRB_accession_number 19346 _BMRB_flat_file_name bmr19346.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" 388 "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&S97N monomer' 19347 'aSyn mouse_T53A monomer' 19348 'aSyn mouse_N87S monomer' 19349 'aSyn mouse_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_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 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label aSyn_mouse $aSyn_mouse 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common aSyn_mouse _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVTTVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGNIAAATGFVKKDQM GKGEEGYPQEGILEDMPVDP GSEAYEMPSEEGYQDYEPEA ; 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 THR 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 ASN 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 MET 101 GLY 102 LYS 103 GLY 104 GLU 105 GLU 106 GLY 107 TYR 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 GLY 122 SER 123 GLU 124 ALA 125 TYR 126 GLU 127 MET 128 PRO 129 SER 130 GLU 131 GLU 132 GLY 133 TYR 134 GLN 135 ASP 136 TYR 137 GLU 138 PRO 139 GLU 140 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18232 mouse_alpha-synuclein 100.00 140 100.00 100.00 3.49e-89 BMRB 19347 aSyn_mouse_T53A 100.00 140 99.29 99.29 2.38e-88 BMRB 19348 aSyn_mouse_N87S 99.29 139 99.28 100.00 2.00e-87 BMRB 19349 aSyn_mouse_T53A&N87S 99.29 139 98.56 99.28 1.20e-86 DBJ BAB29375 "unnamed protein product [Mus musculus]" 72.86 122 100.00 100.00 2.76e-58 DBJ BAE33670 "unnamed protein product [Mus musculus]" 100.00 140 100.00 100.00 3.49e-89 GB AAB20688 "synuclein SYN1 [Rattus sp.]" 100.00 140 99.29 99.29 1.39e-88 GB AAC00521 "alpha-synuclein [Mus musculus]" 100.00 140 99.29 99.29 2.51e-88 GB AAC16026 "synuclein 1 [Rattus norvegicus]" 100.00 140 99.29 99.29 1.39e-88 GB AAD11254 "alpha-synuclein [Mus musculus]" 100.00 140 100.00 100.00 3.49e-89 GB AAD56907 "alpha-synuclein [Mus musculus]" 100.00 140 100.00 100.00 3.49e-89 REF NP_001035916 "alpha-synuclein [Mus musculus]" 100.00 140 100.00 100.00 3.49e-89 REF NP_033247 "alpha-synuclein [Mus musculus]" 100.00 140 100.00 100.00 3.49e-89 REF NP_062042 "alpha-synuclein [Rattus norvegicus]" 100.00 140 99.29 99.29 1.39e-88 REF XP_003503776 "PREDICTED: alpha-synuclein [Cricetulus griseus]" 100.00 140 99.29 100.00 1.06e-88 REF XP_004648456 "PREDICTED: alpha-synuclein isoform X1 [Octodon degus]" 100.00 140 97.14 97.86 5.12e-86 SP O55042 "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" 100.00 140 100.00 100.00 3.49e-89 SP P37377 "RecName: Full=Alpha-synuclein" 100.00 140 99.29 99.29 1.39e-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 $aSyn_mouse 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 '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 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_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HNN' '3D HN(CA)CO' 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 _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 2 ASP C C 176.053 0.1 1 2 2 2 ASP CA C 54.220 0.1 1 3 2 2 ASP CB C 41.566 0.1 1 4 3 3 VAL H H 8.247 0.02 1 5 3 3 VAL C C 175.990 0.1 1 6 3 3 VAL CA C 62.669 0.1 1 7 3 3 VAL CB C 32.618 0.1 1 8 3 3 VAL N N 120.338 0.07 1 9 4 4 PHE H H 8.360 0.02 1 10 4 4 PHE C C 175.903 0.1 1 11 4 4 PHE CA C 58.164 0.1 1 12 4 4 PHE CB C 39.441 0.1 1 13 4 4 PHE N N 123.409 0.07 1 14 5 5 MET H H 8.243 0.02 1 15 5 5 MET C C 176.002 0.1 1 16 5 5 MET CA C 55.289 0.1 1 17 5 5 MET CB C 32.629 0.1 1 18 5 5 MET N N 122.278 0.07 1 19 6 6 LYS H H 8.297 0.02 1 20 6 6 LYS C C 177.168 0.1 1 21 6 6 LYS CA C 56.671 0.1 1 22 6 6 LYS CB C 32.809 0.1 1 23 6 6 LYS N N 122.617 0.07 1 24 7 7 GLY C C 174.206 0.1 1 25 7 7 GLY CA C 45.381 0.1 1 26 8 8 LEU H H 8.079 0.02 1 27 8 8 LEU C C 177.664 0.1 1 28 8 8 LEU CA C 55.160 0.1 1 29 8 8 LEU CB C 42.517 0.1 1 30 8 8 LEU N N 121.596 0.07 1 31 9 9 SER H H 8.345 0.02 1 32 9 9 SER C C 174.586 0.1 1 33 9 9 SER CA C 58.394 0.1 1 34 9 9 SER CB C 63.693 0.1 1 35 9 9 SER N N 116.731 0.07 1 36 10 10 LYS CA C 56.287 0.1 1 37 10 10 LYS CB C 32.964 0.1 1 38 11 11 ALA H H 8.322 0.02 1 39 11 11 ALA C C 177.911 0.1 1 40 11 11 ALA CA C 52.677 0.1 1 41 11 11 ALA CB C 19.148 0.1 1 42 11 11 ALA N N 125.381 0.07 1 43 12 12 LYS H H 8.366 0.02 1 44 12 12 LYS C C 176.692 0.1 1 45 12 12 LYS CA C 56.410 0.1 1 46 12 12 LYS CB C 33.070 0.1 1 47 12 12 LYS N N 120.930 0.07 1 48 13 13 GLU H H 8.459 0.02 1 49 13 13 GLU N N 122.298 0.07 1 50 14 14 GLY C C 174.042 0.1 1 51 14 14 GLY CA C 45.303 0.1 1 52 15 15 VAL H H 8.003 0.02 1 53 15 15 VAL C C 176.462 0.1 1 54 15 15 VAL CA C 62.506 0.1 1 55 15 15 VAL CB C 32.720 0.1 1 56 15 15 VAL N N 120.179 0.07 1 57 16 16 VAL H H 8.334 0.02 1 58 16 16 VAL C C 176.002 0.1 1 59 16 16 VAL CA C 62.494 0.1 1 60 16 16 VAL CB C 32.800 0.1 1 61 16 16 VAL N N 125.353 0.07 1 62 17 17 ALA H H 8.475 0.02 1 63 17 17 ALA C C 177.662 0.1 1 64 17 17 ALA CA C 52.531 0.1 1 65 17 17 ALA CB C 19.270 0.1 1 66 17 17 ALA N N 128.527 0.07 1 67 18 18 ALA H H 8.341 0.02 1 68 18 18 ALA C C 177.912 0.1 1 69 18 18 ALA CA C 52.628 0.1 1 70 18 18 ALA CB C 19.135 0.1 1 71 18 18 ALA N N 123.741 0.07 1 72 19 19 ALA H H 8.299 0.02 1 73 19 19 ALA C C 178.200 0.1 1 74 19 19 ALA CA C 52.752 0.1 1 75 19 19 ALA CB C 19.223 0.1 1 76 19 19 ALA N N 123.199 0.07 1 77 20 20 GLU H H 8.361 0.02 1 78 20 20 GLU C C 176.948 0.1 1 79 20 20 GLU CA C 56.816 0.1 1 80 20 20 GLU CB C 30.283 0.1 1 81 20 20 GLU N N 120.143 0.07 1 82 21 21 LYS H H 8.367 0.02 1 83 21 21 LYS C C 177.157 0.1 1 84 21 21 LYS CA C 56.671 0.1 1 85 21 21 LYS CB C 32.896 0.1 1 86 21 21 LYS N N 122.320 0.07 1 87 22 22 THR H H 8.161 0.02 1 88 22 22 THR C C 174.700 0.1 1 89 22 22 THR CA C 62.332 0.1 1 90 22 22 THR CB C 69.734 0.1 1 91 22 22 THR N N 115.295 0.07 1 92 23 23 LYS H H 8.375 0.02 1 93 23 23 LYS C C 176.680 0.1 1 94 23 23 LYS CA C 56.857 0.1 1 95 23 23 LYS CB C 32.908 0.1 1 96 23 23 LYS N N 123.824 0.07 1 97 24 24 GLN H H 8.451 0.02 1 98 24 24 GLN C C 176.599 0.1 1 99 24 24 GLN CA C 56.335 0.1 1 100 24 24 GLN CB C 29.587 0.1 1 101 24 24 GLN N N 121.815 0.07 1 102 25 25 GLY H H 8.517 0.02 1 103 25 25 GLY C C 174.259 0.1 1 104 25 25 GLY CA C 45.175 0.1 1 105 25 25 GLY N N 110.578 0.07 1 106 26 26 VAL H H 8.044 0.02 1 107 26 26 VAL C C 176.375 0.1 1 108 26 26 VAL CA C 62.595 0.1 1 109 26 26 VAL CB C 32.801 0.1 1 110 26 26 VAL N N 119.861 0.07 1 111 27 27 ALA H H 8.455 0.02 1 112 27 27 ALA C C 178.132 0.1 1 113 27 27 ALA CA C 52.795 0.1 1 114 27 27 ALA CB C 19.042 0.1 1 115 27 27 ALA N N 127.464 0.07 1 116 28 28 GLU H H 8.435 0.02 1 117 28 28 GLU C C 176.672 0.1 1 118 28 28 GLU CA C 56.845 0.1 1 119 28 28 GLU CB C 30.190 0.1 1 120 28 28 GLU N N 120.626 0.07 1 121 29 29 ALA H H 8.329 0.02 1 122 29 29 ALA C C 177.750 0.1 1 123 29 29 ALA CA C 52.665 0.1 1 124 29 29 ALA CB C 19.310 0.1 1 125 29 29 ALA N N 125.024 0.07 1 126 30 30 ALA H H 8.262 0.02 1 127 30 30 ALA C C 178.474 0.1 1 128 30 30 ALA CA C 52.866 0.1 1 129 30 30 ALA CB C 19.076 0.1 1 130 30 30 ALA N N 123.101 0.07 1 131 31 31 GLY H H 8.344 0.02 1 132 31 31 GLY C C 174.219 0.1 1 133 31 31 GLY CA C 45.342 0.1 1 134 31 31 GLY N N 107.834 0.07 1 135 32 32 LYS H H 8.141 0.02 1 136 32 32 LYS C C 177.008 0.1 1 137 32 32 LYS CA C 56.278 0.1 1 138 32 32 LYS CB C 33.173 0.1 1 139 32 32 LYS N N 120.758 0.07 1 140 33 33 THR H H 8.260 0.02 1 141 33 33 THR C C 174.611 0.1 1 142 33 33 THR CA C 61.809 0.1 1 143 33 33 THR CB C 69.908 0.1 1 144 33 33 THR N N 115.646 0.07 1 145 34 34 LYS H H 8.455 0.02 1 146 34 34 LYS C C 176.483 0.1 1 147 34 34 LYS CA C 56.535 0.1 1 148 34 34 LYS CB C 33.331 0.1 1 149 34 34 LYS N N 123.882 0.07 1 150 35 35 GLU H H 8.470 0.02 1 151 35 35 GLU C C 176.968 0.1 1 152 35 35 GLU CA C 56.944 0.1 1 153 35 35 GLU CB C 30.208 0.1 1 154 35 35 GLU N N 122.201 0.07 1 155 36 36 GLY H H 8.464 0.02 1 156 36 36 GLY C C 174.029 0.1 1 157 36 36 GLY CA C 45.262 0.1 1 158 36 36 GLY N N 110.059 0.07 1 159 37 37 VAL H H 7.933 0.02 1 160 37 37 VAL C C 175.924 0.1 1 161 37 37 VAL CA C 62.332 0.1 1 162 37 37 VAL CB C 32.809 0.1 1 163 37 37 VAL N N 119.600 0.07 1 164 38 38 LEU H H 8.310 0.02 1 165 38 38 LEU C C 176.656 0.1 1 166 38 38 LEU CA C 54.956 0.1 1 167 38 38 LEU CB C 42.563 0.1 1 168 38 38 LEU N N 125.872 0.07 1 169 39 39 TYR H H 8.296 0.02 1 170 39 39 TYR C C 175.589 0.1 1 171 39 39 TYR CA C 57.803 0.1 1 172 39 39 TYR CB C 38.837 0.1 1 173 39 39 TYR N N 122.517 0.07 1 174 40 40 VAL H H 8.112 0.02 1 175 40 40 VAL C C 176.158 0.1 1 176 40 40 VAL CA C 62.182 0.1 1 177 40 40 VAL CB C 32.839 0.1 1 178 40 40 VAL N N 123.367 0.07 1 179 41 41 GLY H H 8.077 0.02 1 180 41 41 GLY C C 173.956 0.1 1 181 41 41 GLY CA C 45.175 0.1 1 182 41 41 GLY N N 112.204 0.07 1 183 42 42 SER H H 8.279 0.02 1 184 42 42 SER C C 174.748 0.1 1 185 42 42 SER CA C 58.386 0.1 1 186 42 42 SER CB C 63.829 0.1 1 187 42 42 SER N N 115.642 0.07 1 188 43 43 LYS H H 8.510 0.02 1 189 43 43 LYS C C 176.870 0.1 1 190 43 43 LYS CA C 56.604 0.1 1 191 43 43 LYS CB C 33.050 0.1 1 192 43 43 LYS N N 123.490 0.07 1 193 44 44 THR H H 8.212 0.02 1 194 44 44 THR C C 174.679 0.1 1 195 44 44 THR CA C 61.849 0.1 1 196 44 44 THR CB C 69.908 0.1 1 197 44 44 THR N N 115.536 0.07 1 198 45 45 LYS H H 8.487 0.02 1 199 45 45 LYS C C 176.494 0.1 1 200 45 45 LYS CA C 56.410 0.1 1 201 45 45 LYS CB C 33.157 0.1 1 202 45 45 LYS N N 123.877 0.07 1 203 46 46 GLU C C 176.972 0.1 1 204 47 47 GLY H H 8.470 0.02 1 205 47 47 GLY C C 173.855 0.1 1 206 47 47 GLY CA C 45.272 0.1 1 207 47 47 GLY N N 110.154 0.07 1 208 48 48 VAL H H 7.939 0.02 1 209 48 48 VAL C C 176.006 0.1 1 210 48 48 VAL CA C 62.244 0.1 1 211 48 48 VAL CB C 32.983 0.1 1 212 48 48 VAL N N 120.023 0.07 1 213 49 49 VAL H H 8.317 0.02 1 214 49 49 VAL C C 175.857 0.1 1 215 49 49 VAL CA C 62.253 0.1 1 216 49 49 VAL CB C 32.725 0.1 1 217 49 49 VAL N N 125.272 0.07 1 218 50 50 HIS H H 8.509 0.02 1 219 50 50 HIS C C 175.872 0.1 1 220 50 50 HIS CA C 56.368 0.1 1 221 50 50 HIS CB C 31.112 0.1 1 222 50 50 HIS N N 124.893 0.07 1 223 51 51 GLY H H 8.433 0.02 1 224 51 51 GLY C C 173.852 0.1 1 225 51 51 GLY CA C 45.253 0.1 1 226 51 51 GLY N N 110.680 0.07 1 227 52 52 VAL H H 8.126 0.02 1 228 52 52 VAL C C 176.542 0.1 1 229 52 52 VAL CA C 62.318 0.1 1 230 52 52 VAL CB C 32.956 0.1 1 231 52 52 VAL N N 119.632 0.07 1 232 53 53 THR H H 8.431 0.02 1 233 53 53 THR C C 174.553 0.1 1 234 53 53 THR CA C 61.923 0.1 1 235 53 53 THR CB C 69.722 0.1 1 236 53 53 THR N N 118.915 0.07 1 237 54 54 THR H H 8.297 0.02 1 238 54 54 THR C C 174.370 0.1 1 239 54 54 THR CA C 61.720 0.1 1 240 54 54 THR CB C 69.906 0.1 1 241 54 54 THR N N 117.908 0.07 1 242 55 55 VAL H H 8.288 0.02 1 243 55 55 VAL C C 175.875 0.1 1 244 55 55 VAL CA C 62.244 0.1 1 245 55 55 VAL CB C 32.861 0.1 1 246 55 55 VAL N N 123.236 0.07 1 247 56 56 ALA H H 8.453 0.02 1 248 56 56 ALA C C 177.773 0.1 1 249 56 56 ALA CA C 52.590 0.1 1 250 56 56 ALA CB C 19.148 0.1 1 251 56 56 ALA N N 128.256 0.07 1 252 57 57 GLU H H 8.409 0.02 1 253 57 57 GLU C C 176.702 0.1 1 254 57 57 GLU CA C 56.556 0.1 1 255 57 57 GLU CB C 30.453 0.1 1 256 57 57 GLU N N 120.927 0.07 1 257 58 58 LYS H H 8.457 0.02 1 258 58 58 LYS C C 176.976 0.1 1 259 58 58 LYS CA C 56.504 0.1 1 260 58 58 LYS CB C 33.070 0.1 1 261 58 58 LYS N N 122.894 0.07 1 262 59 59 THR H H 8.241 0.02 1 263 59 59 THR C C 174.647 0.1 1 264 59 59 THR CA C 62.085 0.1 1 265 59 59 THR CB C 69.766 0.1 1 266 59 59 THR N N 115.988 0.07 1 267 60 60 LYS H H 8.414 0.02 1 268 60 60 LYS C C 176.687 0.1 1 269 60 60 LYS CA C 56.621 0.1 1 270 60 60 LYS CB C 32.983 0.1 1 271 60 60 LYS N N 123.748 0.07 1 272 61 61 GLU C C 176.429 0.1 1 273 62 62 GLN H H 8.451 0.02 1 274 62 62 GLN C C 175.972 0.1 1 275 62 62 GLN CA C 55.838 0.1 1 276 62 62 GLN CB C 29.517 0.1 1 277 62 62 GLN N N 121.815 0.07 1 278 63 63 VAL H H 8.312 0.02 1 279 63 63 VAL C C 176.355 0.1 1 280 63 63 VAL CA C 62.332 0.1 1 281 63 63 VAL CB C 32.896 0.1 1 282 63 63 VAL N N 121.977 0.07 1 283 64 64 THR H H 8.329 0.02 1 284 64 64 THR C C 174.054 0.1 1 285 64 64 THR CA C 61.875 0.1 1 286 64 64 THR CB C 69.821 0.1 1 287 64 64 THR N N 118.146 0.07 1 288 65 65 ASN H H 8.551 0.02 1 289 65 65 ASN C C 175.248 0.1 1 290 65 65 ASN CA C 53.132 0.1 1 291 65 65 ASN CB C 38.933 0.1 1 292 65 65 ASN N N 121.876 0.07 1 293 66 66 VAL H H 8.270 0.02 1 294 66 66 VAL C C 176.865 0.1 1 295 66 66 VAL CA C 62.714 0.1 1 296 66 66 VAL CB C 32.519 0.1 1 297 66 66 VAL N N 120.775 0.07 1 298 67 67 GLY H H 8.582 0.02 1 299 67 67 GLY C C 174.673 0.1 1 300 67 67 GLY CA C 45.349 0.1 1 301 67 67 GLY N N 112.675 0.07 1 302 68 68 GLY H H 8.261 0.02 1 303 68 68 GLY C C 173.739 0.1 1 304 68 68 GLY CA C 45.088 0.1 1 305 68 68 GLY N N 108.875 0.07 1 306 69 69 ALA H H 8.193 0.02 1 307 69 69 ALA C C 177.661 0.1 1 308 69 69 ALA CA C 52.316 0.1 1 309 69 69 ALA CB C 19.399 0.1 1 310 69 69 ALA N N 123.835 0.07 1 311 70 70 VAL H H 8.244 0.02 1 312 70 70 VAL C C 176.340 0.1 1 313 70 70 VAL CA C 62.452 0.1 1 314 70 70 VAL CB C 32.699 0.1 1 315 70 70 VAL N N 120.536 0.07 1 316 71 71 VAL H H 8.418 0.02 1 317 71 71 VAL C C 176.288 0.1 1 318 71 71 VAL CA C 62.201 0.1 1 319 71 71 VAL CB C 32.775 0.1 1 320 71 71 VAL N N 125.447 0.07 1 321 72 72 THR H H 8.334 0.02 1 322 72 72 THR C C 174.915 0.1 1 323 72 72 THR CA C 61.896 0.1 1 324 72 72 THR CB C 69.908 0.1 1 325 72 72 THR N N 118.683 0.07 1 326 73 73 GLY H H 8.464 0.02 1 327 73 73 GLY C C 174.027 0.1 1 328 73 73 GLY CA C 45.273 0.1 1 329 73 73 GLY N N 111.398 0.07 1 330 74 74 VAL H H 8.111 0.02 1 331 74 74 VAL C C 176.562 0.1 1 332 74 74 VAL CA C 62.417 0.1 1 333 74 74 VAL CB C 32.879 0.1 1 334 74 74 VAL N N 119.583 0.07 1 335 75 75 THR H H 8.325 0.02 1 336 75 75 THR C C 174.087 0.1 1 337 75 75 THR CA C 61.896 0.1 1 338 75 75 THR CB C 69.908 0.1 1 339 75 75 THR N N 118.973 0.07 1 340 76 76 ALA H H 8.396 0.02 1 341 76 76 ALA C C 177.576 0.1 1 342 76 76 ALA CA C 52.471 0.1 1 343 76 76 ALA CB C 19.317 0.1 1 344 76 76 ALA N N 127.451 0.07 1 345 77 77 VAL H H 8.167 0.02 1 346 77 77 VAL C C 176.024 0.1 1 347 77 77 VAL CA C 62.203 0.1 1 348 77 77 VAL CB C 32.799 0.1 1 349 77 77 VAL N N 120.115 0.07 1 350 78 78 ALA H H 8.434 0.02 1 351 78 78 ALA C C 177.641 0.1 1 352 78 78 ALA CA C 52.590 0.1 1 353 78 78 ALA CB C 19.148 0.1 1 354 78 78 ALA N N 128.201 0.07 1 355 79 79 GLN H H 8.417 0.02 1 356 79 79 GLN C C 175.957 0.1 1 357 79 79 GLN CA C 55.725 0.1 1 358 79 79 GLN CB C 29.686 0.1 1 359 79 79 GLN N N 120.383 0.07 1 360 80 80 LYS H H 8.460 0.02 1 361 80 80 LYS C C 176.695 0.1 1 362 80 80 LYS CA C 56.235 0.1 1 363 80 80 LYS CB C 33.157 0.1 1 364 80 80 LYS N N 123.313 0.07 1 365 81 81 THR H H 8.318 0.02 1 366 81 81 THR C C 174.452 0.1 1 367 81 81 THR CA C 61.896 0.1 1 368 81 81 THR CB C 69.821 0.1 1 369 81 81 THR N N 116.960 0.07 1 370 82 82 VAL H H 8.327 0.02 1 371 82 82 VAL C C 176.156 0.1 1 372 82 82 VAL CA C 62.331 0.1 1 373 82 82 VAL CB C 32.814 0.1 1 374 82 82 VAL N N 123.098 0.07 1 375 83 83 GLU H H 8.607 0.02 1 376 83 83 GLU C C 177.072 0.1 1 377 83 83 GLU CA C 56.756 0.1 1 378 83 83 GLU CB C 30.368 0.1 1 379 83 83 GLU N N 125.404 0.07 1 380 84 84 GLY H H 8.542 0.02 1 381 84 84 GLY C C 174.088 0.1 1 382 84 84 GLY CA C 45.349 0.1 1 383 84 84 GLY N N 110.878 0.07 1 384 85 85 ALA H H 8.257 0.02 1 385 85 85 ALA C C 178.395 0.1 1 386 85 85 ALA CA C 52.752 0.1 1 387 85 85 ALA CB C 19.310 0.1 1 388 85 85 ALA N N 123.832 0.07 1 389 86 86 GLY H H 8.482 0.02 1 390 86 86 GLY C C 173.986 0.1 1 391 86 86 GLY CA C 45.175 0.1 1 392 86 86 GLY N N 107.766 0.07 1 393 87 87 ASN H H 8.292 0.02 1 394 87 87 ASN C C 175.349 0.1 1 395 87 87 ASN CA C 53.224 0.1 1 396 87 87 ASN CB C 38.842 0.1 1 397 87 87 ASN N N 118.812 0.07 1 398 88 88 ILE H H 8.155 0.02 1 399 88 88 ILE C C 176.170 0.1 1 400 88 88 ILE CA C 61.310 0.1 1 401 88 88 ILE CB C 38.710 0.1 1 402 88 88 ILE N N 121.650 0.07 1 403 89 89 ALA H H 8.401 0.02 1 404 89 89 ALA C C 177.538 0.1 1 405 89 89 ALA CA C 52.488 0.1 1 406 89 89 ALA CB C 19.079 0.1 1 407 89 89 ALA N N 128.114 0.07 1 408 90 90 ALA H H 8.208 0.02 1 409 90 90 ALA C C 177.709 0.1 1 410 90 90 ALA CA C 52.372 0.1 1 411 90 90 ALA CB C 19.234 0.1 1 412 90 90 ALA N N 123.373 0.07 1 413 91 91 ALA H H 8.315 0.02 1 414 91 91 ALA C C 178.119 0.1 1 415 91 91 ALA CA C 52.655 0.1 1 416 91 91 ALA CB C 19.126 0.1 1 417 91 91 ALA N N 123.454 0.07 1 418 92 92 THR H H 8.123 0.02 1 419 92 92 THR C C 175.155 0.1 1 420 92 92 THR CA C 61.949 0.1 1 421 92 92 THR CB C 69.772 0.1 1 422 92 92 THR N N 112.697 0.07 1 423 93 93 GLY H H 8.339 0.02 1 424 93 93 GLY C C 173.621 0.1 1 425 93 93 GLY CA C 45.175 0.1 1 426 93 93 GLY N N 110.755 0.07 1 427 94 94 PHE H H 8.108 0.02 1 428 94 94 PHE C C 175.480 0.1 1 429 94 94 PHE CA C 57.785 0.1 1 430 94 94 PHE CB C 39.731 0.1 1 431 94 94 PHE N N 120.366 0.07 1 432 95 95 VAL H H 8.088 0.02 1 433 95 95 VAL C C 175.412 0.1 1 434 95 95 VAL CA C 61.966 0.1 1 435 95 95 VAL CB C 33.114 0.1 1 436 95 95 VAL N N 123.774 0.07 1 437 96 96 LYS H H 8.415 0.02 1 438 96 96 LYS C C 176.498 0.1 1 439 96 96 LYS CA C 56.347 0.1 1 440 96 96 LYS CB C 33.065 0.1 1 441 96 96 LYS N N 126.410 0.07 1 442 97 97 LYS H H 8.493 0.02 1 443 97 97 LYS C C 176.396 0.1 1 444 97 97 LYS CA C 56.410 0.1 1 445 97 97 LYS CB C 33.157 0.1 1 446 97 97 LYS N N 123.890 0.07 1 447 98 98 ASP H H 8.437 0.02 1 448 98 98 ASP C C 176.267 0.1 1 449 98 98 ASP CA C 54.585 0.1 1 450 98 98 ASP CB C 41.094 0.1 1 451 98 98 ASP N N 121.236 0.07 1 452 99 99 GLN H H 8.371 0.02 1 453 99 99 GLN C C 176.109 0.1 1 454 99 99 GLN CA C 56.073 0.1 1 455 99 99 GLN CB C 29.452 0.1 1 456 99 99 GLN N N 120.165 0.07 1 457 100 100 MET H H 8.435 0.02 1 458 100 100 MET C C 176.816 0.1 1 459 100 100 MET CA C 55.800 0.1 1 460 100 100 MET CB C 32.896 0.1 1 461 100 100 MET N N 120.973 0.07 1 462 101 101 GLY H H 8.522 0.02 1 463 101 101 GLY C C 174.100 0.1 1 464 101 101 GLY CA C 45.308 0.1 1 465 101 101 GLY N N 110.261 0.07 1 466 102 102 LYS H H 8.297 0.02 1 467 102 102 LYS C C 177.302 0.1 1 468 102 102 LYS CA C 56.322 0.1 1 469 102 102 LYS CB C 32.983 0.1 1 470 102 102 LYS N N 120.909 0.07 1 471 103 103 GLY H H 8.571 0.02 1 472 103 103 GLY C C 174.328 0.1 1 473 103 103 GLY CA C 45.327 0.1 1 474 103 103 GLY N N 110.651 0.07 1 475 104 104 GLU H H 8.348 0.02 1 476 104 104 GLU C C 176.697 0.1 1 477 104 104 GLU CA C 56.322 0.1 1 478 104 104 GLU CB C 30.330 0.1 1 479 104 104 GLU N N 120.666 0.07 1 480 105 105 GLU H H 8.619 0.02 1 481 105 105 GLU C C 176.913 0.1 1 482 105 105 GLU CA C 57.042 0.1 1 483 105 105 GLU CB C 30.122 0.1 1 484 105 105 GLU N N 121.797 0.07 1 485 106 106 GLY H H 8.397 0.02 1 486 106 106 GLY C C 173.451 0.1 1 487 106 106 GLY CA C 44.873 0.1 1 488 106 106 GLY N N 109.615 0.07 1 489 107 107 TYR H H 8.053 0.02 1 490 107 107 TYR C C 174.055 0.1 1 491 107 107 TYR CA C 55.800 0.1 1 492 107 107 TYR CB C 38.103 0.1 1 493 107 107 TYR N N 121.306 0.07 1 494 108 108 PRO C C 176.878 0.1 1 495 108 108 PRO CA C 63.302 0.1 1 496 108 108 PRO CB C 32.072 0.1 1 497 109 109 GLN H H 8.572 0.02 1 498 109 109 GLN C C 176.042 0.1 1 499 109 109 GLN CA C 55.884 0.1 1 500 109 109 GLN CB C 29.670 0.1 1 501 109 109 GLN N N 121.316 0.07 1 502 110 110 GLU H H 8.564 0.02 1 503 110 110 GLU C C 176.869 0.1 1 504 110 110 GLU CA C 56.671 0.1 1 505 110 110 GLU CB C 30.632 0.1 1 506 110 110 GLU N N 122.291 0.07 1 507 111 111 GLY H H 8.509 0.02 1 508 111 111 GLY C C 173.743 0.1 1 509 111 111 GLY CA C 45.175 0.1 1 510 111 111 GLY N N 110.271 0.07 1 511 112 112 ILE H H 8.010 0.02 1 512 112 112 ILE C C 176.247 0.1 1 513 112 112 ILE CA C 60.982 0.1 1 514 112 112 ILE CB C 38.646 0.1 1 515 112 112 ILE N N 120.162 0.07 1 516 113 113 LEU H H 8.430 0.02 1 517 113 113 LEU C C 177.158 0.1 1 518 113 113 LEU CA C 55.051 0.1 1 519 113 113 LEU CB C 42.345 0.1 1 520 113 113 LEU N N 127.075 0.07 1 521 114 114 GLU H H 8.452 0.02 1 522 114 114 GLU C C 175.884 0.1 1 523 114 114 GLU CA C 56.465 0.1 1 524 114 114 GLU CB C 30.560 0.1 1 525 114 114 GLU N N 122.303 0.07 1 526 115 115 ASP H H 8.387 0.02 1 527 115 115 ASP C C 175.783 0.1 1 528 115 115 ASP CA C 54.319 0.1 1 529 115 115 ASP CB C 41.160 0.1 1 530 115 115 ASP N N 121.455 0.07 1 531 116 116 MET H H 8.281 0.02 1 532 116 116 MET C C 174.069 0.1 1 533 116 116 MET CA C 53.361 0.1 1 534 116 116 MET CB C 32.548 0.1 1 535 116 116 MET N N 122.058 0.07 1 536 117 117 PRO C C 176.745 0.1 1 537 117 117 PRO CA C 62.881 0.1 1 538 117 117 PRO CB C 32.131 0.1 1 539 118 118 VAL H H 8.333 0.02 1 540 118 118 VAL C C 175.804 0.1 1 541 118 118 VAL CA C 62.021 0.1 1 542 118 118 VAL CB C 32.984 0.1 1 543 118 118 VAL N N 120.969 0.07 1 544 119 119 ASP H H 8.582 0.02 1 545 119 119 ASP C C 174.850 0.1 1 546 119 119 ASP CA C 51.976 0.1 1 547 119 119 ASP CB C 41.286 0.1 1 548 119 119 ASP N N 126.165 0.07 1 549 120 120 PRO C C 177.641 0.1 1 550 120 120 PRO CA C 63.699 0.1 1 551 120 120 PRO CB C 32.136 0.1 1 552 121 121 GLY H H 8.574 0.02 1 553 121 121 GLY C C 174.565 0.1 1 554 121 121 GLY CA C 45.323 0.1 1 555 121 121 GLY N N 108.988 0.07 1 556 122 122 SER H H 8.133 0.02 1 557 122 122 SER C C 174.804 0.1 1 558 122 122 SER CA C 58.546 0.1 1 559 122 122 SER CB C 63.876 0.1 1 560 122 122 SER N N 115.701 0.07 1 561 123 123 GLU H H 8.549 0.02 1 562 123 123 GLU C C 176.154 0.1 1 563 123 123 GLU CA C 56.710 0.1 1 564 123 123 GLU CB C 30.007 0.1 1 565 123 123 GLU N N 122.976 0.07 1 566 124 124 ALA H H 8.226 0.02 1 567 124 124 ALA C C 177.154 0.1 1 568 124 124 ALA CA C 52.292 0.1 1 569 124 124 ALA CB C 19.227 0.1 1 570 124 124 ALA N N 124.431 0.07 1 571 125 125 TYR H H 8.042 0.02 1 572 125 125 TYR C C 175.327 0.1 1 573 125 125 TYR CA C 57.700 0.1 1 574 125 125 TYR CB C 38.960 0.1 1 575 125 125 TYR N N 119.954 0.07 1 576 126 126 GLU H H 8.167 0.02 1 577 126 126 GLU C C 175.455 0.1 1 578 126 126 GLU CA C 55.653 0.1 1 579 126 126 GLU CB C 30.760 0.1 1 580 126 126 GLU N N 123.812 0.07 1 581 127 127 MET H H 8.444 0.02 1 582 127 127 MET C C 174.238 0.1 1 583 127 127 MET CA C 53.196 0.1 1 584 127 127 MET CB C 32.461 0.1 1 585 127 127 MET N N 123.887 0.07 1 586 128 128 PRO C C 176.895 0.1 1 587 128 128 PRO CA C 63.068 0.1 1 588 128 128 PRO CB C 32.198 0.1 1 589 129 129 SER H H 8.515 0.02 1 590 129 129 SER C C 174.808 0.1 1 591 129 129 SER CA C 58.288 0.1 1 592 129 129 SER CB C 63.868 0.1 1 593 129 129 SER N N 116.835 0.07 1 594 130 130 GLU H H 8.606 0.02 1 595 130 130 GLU C C 176.527 0.1 1 596 130 130 GLU CA C 56.539 0.1 1 597 130 130 GLU CB C 30.319 0.1 1 598 130 130 GLU N N 123.266 0.07 1 599 131 131 GLU H H 8.495 0.02 1 600 131 131 GLU C C 176.985 0.1 1 601 131 131 GLU CA C 57.031 0.1 1 602 131 131 GLU CB C 30.208 0.1 1 603 131 131 GLU N N 122.049 0.07 1 604 132 132 GLY H H 8.440 0.02 1 605 132 132 GLY C C 173.846 0.1 1 606 132 132 GLY CA C 45.100 0.1 1 607 132 132 GLY N N 110.018 0.07 1 608 133 133 TYR H H 8.097 0.02 1 609 133 133 TYR C C 175.746 0.1 1 610 133 133 TYR CA C 58.300 0.1 1 611 133 133 TYR CB C 38.776 0.1 1 612 133 133 TYR N N 120.378 0.07 1 613 134 134 GLN H H 8.255 0.02 1 614 134 134 GLN C C 174.861 0.1 1 615 134 134 GLN CA C 55.407 0.1 1 616 134 134 GLN CB C 29.843 0.1 1 617 134 134 GLN N N 122.813 0.07 1 618 135 135 ASP H H 8.265 0.02 1 619 135 135 ASP C C 175.520 0.1 1 620 135 135 ASP CA C 54.332 0.1 1 621 135 135 ASP CB C 41.192 0.1 1 622 135 135 ASP N N 121.769 0.07 1 623 136 136 TYR H H 8.063 0.02 1 624 136 136 TYR C C 175.077 0.1 1 625 136 136 TYR CA C 57.534 0.1 1 626 136 136 TYR CB C 39.072 0.1 1 627 136 136 TYR N N 120.575 0.07 1 628 137 137 GLU H H 8.284 0.02 1 629 137 137 GLU C C 173.715 0.1 1 630 137 137 GLU CA C 53.565 0.1 1 631 137 137 GLU CB C 30.288 0.1 1 632 137 137 GLU N N 125.500 0.07 1 633 138 138 PRO C C 176.882 0.1 1 634 138 138 PRO CA C 63.040 0.1 1 635 138 138 PRO CB C 32.298 0.1 1 636 139 139 GLU H H 8.553 0.02 1 637 139 139 GLU C C 175.408 0.1 1 638 139 139 GLU CA C 56.625 0.1 1 639 139 139 GLU CB C 30.318 0.1 1 640 139 139 GLU N N 121.666 0.07 1 641 140 140 ALA H H 8.023 0.02 1 642 140 140 ALA CA C 53.800 0.1 1 643 140 140 ALA CB C 20.231 0.1 1 644 140 140 ALA N N 130.996 0.07 1 stop_ save_