data_19350 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Acetylated alpha synuclein in PBS ; _BMRB_accession_number 19350 _BMRB_flat_file_name bmr19350.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" 133 "13C chemical shifts" 398 "15N chemical shifts" 133 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' 19348 'aSyn mouse_N87S monomer' 19349 'aSyn mouse_T53A&N87S monomer' 19351 'acetylated aSyn A53T monomer' stop_ _Original_release_date 2013-09-25 save_ ############################# # Citation for this entry # ############################# save_acet_asyn_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 'acetylated aSyn monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'acetylated aSyn monomer' $acet_aSyn 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_acet_aSyn _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common acet_aSyn _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 VAL 4 PHE 5 MET 6 LYS 7 GLY 8 LEU 9 SER 10 LYS 11 ALA 12 LYS 13 GLU 14 GLY 15 VAL 16 VAL 17 ALA 18 ALA 19 ALA 20 GLU 21 LYS 22 THR 23 LYS 24 GLN 25 GLY 26 VAL 27 ALA 28 GLU 29 ALA 30 ALA 31 GLY 32 LYS 33 THR 34 LYS 35 GLU 36 GLY 37 VAL 38 LEU 39 TYR 40 VAL 41 GLY 42 SER 43 LYS 44 THR 45 LYS 46 GLU 47 GLY 48 VAL 49 VAL 50 HIS 51 GLY 52 VAL 53 ALA 54 THR 55 VAL 56 ALA 57 GLU 58 LYS 59 THR 60 LYS 61 GLU 62 GLN 63 VAL 64 THR 65 ASN 66 VAL 67 GLY 68 GLY 69 ALA 70 VAL 71 VAL 72 THR 73 GLY 74 VAL 75 THR 76 ALA 77 VAL 78 ALA 79 GLN 80 LYS 81 THR 82 VAL 83 GLU 84 GLY 85 ALA 86 GLY 87 SER 88 ILE 89 ALA 90 ALA 91 ALA 92 THR 93 GLY 94 PHE 95 VAL 96 LYS 97 LYS 98 ASP 99 GLN 100 LEU 101 GLY 102 LYS 103 ASN 104 GLU 105 GLU 106 GLY 107 ALA 108 PRO 109 GLN 110 GLU 111 GLY 112 ILE 113 LEU 114 GLU 115 ASP 116 MET 117 PRO 118 VAL 119 ASP 120 PRO 121 ASP 122 ASN 123 GLU 124 ALA 125 TYR 126 GLU 127 MET 128 PRO 129 SER 130 GLU 131 GLU 132 GLY 133 TYR 134 GLN 135 ASP 136 TYR 137 GLU 138 PRO 139 GLU 140 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 16300 alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 16302 alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 16342 human_a-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 16543 "monomer alpha-synuclein" 100.00 140 100.00 100.00 1.16e-89 BMRB 16546 A30P_alpha-synuclein 100.00 140 99.29 99.29 1.02e-88 BMRB 16547 E46K_alpha-synuclein 100.00 140 99.29 100.00 4.89e-89 BMRB 16548 A53T_alpha-synuclein 100.00 140 99.29 99.29 4.06e-89 BMRB 16904 alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 16939 WT_alpha-synuclein_fibrils 100.00 140 99.29 99.29 2.07e-88 BMRB 17214 A30P_alpha-synuclein 100.00 140 99.29 99.29 1.02e-88 BMRB 17498 alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 17648 A30P_alpha-synuclein 100.00 140 98.57 98.57 2.21e-87 BMRB 17649 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 7.49e-88 BMRB 17654 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 8.73e-88 BMRB 17665 aSyn 100.00 150 100.00 100.00 5.18e-89 BMRB 17910 wild-type_alpha-synuclein_formed_in_phospholipid_vesicles 100.00 140 99.29 99.29 2.07e-88 BMRB 18207 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 7.49e-88 BMRB 18208 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 8.73e-88 BMRB 18243 alpha-synuclein_fibrils 100.00 140 99.29 99.29 2.07e-88 BMRB 18857 alpha_synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 18860 a-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 19257 Alpha-synuclein 100.00 140 100.00 100.00 1.16e-89 BMRB 19337 aSyn 100.00 140 100.00 100.00 1.16e-89 BMRB 19338 aSyn_A53T 100.00 140 99.29 99.29 4.06e-89 BMRB 19344 aSyn_S87N 100.00 140 99.29 100.00 4.43e-89 BMRB 19345 aSyn_A53T&S87N 100.00 140 98.57 99.29 1.98e-88 BMRB 19351 acet_aSyn_A53T 100.00 140 99.29 99.29 4.06e-89 BMRB 25227 aSyn-WT 100.00 140 100.00 100.00 1.16e-89 BMRB 25228 H50Q 100.00 140 99.29 99.29 1.75e-88 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 100.00 100.00 1.16e-89 PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 100.00 140 100.00 100.00 1.16e-89 DBJ BAB29375 "unnamed protein product [Mus musculus]" 72.86 122 97.06 99.02 2.60e-56 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 DBJ BAG73790 "synuclein, alpha [synthetic construct]" 100.00 140 100.00 100.00 1.16e-89 EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 GB AAA16117 "AD amyloid [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 GB AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 98.57 98.57 5.77e-88 GB AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 GB AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 GB AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 100.00 140 100.00 100.00 1.16e-89 REF NP_001032222 "alpha-synuclein [Sus scrofa]" 100.00 140 97.86 97.86 1.61e-86 REF NP_001129014 "alpha-synuclein [Pongo abelii]" 100.00 140 99.29 99.29 1.94e-88 REF NP_001139526 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.16e-89 SP P37840 "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" 100.00 140 100.00 100.00 1.16e-89 SP P61139 "RecName: Full=Alpha-synuclein" 100.00 140 99.29 100.00 2.43e-89 SP P61140 "RecName: Full=Alpha-synuclein" 100.00 140 100.00 100.00 1.16e-89 SP P61142 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 100.00 3.37e-89 SP P61143 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 100.00 3.37e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $acet_aSyn Human 9606 Eukaryota Metazoa Homo sapiens 'acetylated alpha synuclien' 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 _Details $acet_aSyn 'recombinant technology' . Escherichia coli . p7-T7 'coexpressed with NatB plasmid expressing acetylotransferase - resulting in N-terminally acetylated protein' 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 $acet_aSyn 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 'acetylated aSyn 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 1 1 MET H H 8.449 0.02 1 2 1 1 MET C C 176.562 0.1 1 3 1 1 MET CA C 55.911 0.1 1 4 1 1 MET CB C 32.900 0.1 1 5 1 1 MET N N 125.874 0.07 1 6 2 2 ASP H H 8.528 0.02 1 7 2 2 ASP C C 176.685 0.1 1 8 2 2 ASP CA C 54.589 0.1 1 9 2 2 ASP CB C 40.820 0.1 1 10 2 2 ASP N N 120.940 0.07 1 11 3 3 VAL H H 7.913 0.02 1 12 3 3 VAL C C 176.493 0.1 1 13 3 3 VAL CA C 63.173 0.1 1 14 3 3 VAL CB C 32.326 0.1 1 15 3 3 VAL N N 119.479 0.07 1 16 4 4 PHE H H 8.212 0.02 1 17 4 4 PHE C C 176.268 0.1 1 18 4 4 PHE CA C 58.473 0.1 1 19 4 4 PHE CB C 39.198 0.1 1 20 4 4 PHE N N 122.611 0.07 1 21 5 5 MET H H 8.218 0.02 1 22 5 5 MET C C 176.424 0.1 1 23 5 5 MET CA C 55.762 0.1 1 24 5 5 MET CB C 32.192 0.1 1 25 5 5 MET N N 121.114 0.07 1 26 6 6 LYS H H 8.220 0.02 1 27 6 6 LYS C C 177.382 0.1 1 28 6 6 LYS CA C 57.139 0.1 1 29 6 6 LYS CB C 32.731 0.1 1 30 6 6 LYS N N 121.968 0.07 1 31 7 7 GLY H H 8.358 0.02 1 32 7 7 GLY C C 174.360 0.1 1 33 7 7 GLY CA C 45.485 0.1 1 34 7 7 GLY N N 109.457 0.07 1 35 8 8 LEU H H 8.006 0.02 1 36 8 8 LEU C C 177.730 0.1 1 37 8 8 LEU CA C 55.277 0.1 1 38 8 8 LEU CB C 42.483 0.1 1 39 8 8 LEU N N 121.509 0.07 1 40 9 9 SER H H 8.299 0.02 1 41 9 9 SER C C 174.667 0.1 1 42 9 9 SER CA C 58.487 0.1 1 43 9 9 SER CB C 63.653 0.1 1 44 9 9 SER N N 116.516 0.07 1 45 10 10 LYS C C 176.502 0.1 1 46 11 11 ALA H H 8.319 0.02 1 47 11 11 ALA C C 177.963 0.1 1 48 11 11 ALA CA C 52.767 0.1 1 49 11 11 ALA CB C 19.143 0.1 1 50 11 11 ALA N N 125.201 0.07 1 51 12 12 LYS H H 8.347 0.02 1 52 12 12 LYS C C 176.701 0.1 1 53 12 12 LYS CA C 56.419 0.1 1 54 12 12 LYS CB C 32.967 0.1 1 55 12 12 LYS N N 120.853 0.07 1 56 13 13 GLU H H 8.448 0.02 1 57 13 13 GLU C C 176.634 0.1 1 58 13 13 GLU CA C 56.698 0.1 1 59 13 13 GLU CB C 30.441 0.1 1 60 13 13 GLU N N 122.170 0.07 1 61 14 14 GLY H H 8.479 0.02 1 62 14 14 GLY C C 173.855 0.1 1 63 14 14 GLY CA C 45.296 0.1 1 64 14 14 GLY N N 110.072 0.07 1 65 15 15 VAL H H 7.994 0.02 1 66 15 15 VAL C C 175.995 0.1 1 67 15 15 VAL CA C 62.612 0.1 1 68 15 15 VAL CB C 32.736 0.1 1 69 15 15 VAL N N 120.189 0.07 1 70 16 16 VAL H H 8.327 0.02 1 71 16 16 VAL C C 176.019 0.1 1 72 16 16 VAL CA C 62.487 0.1 1 73 16 16 VAL CB C 32.725 0.1 1 74 16 16 VAL N N 125.246 0.07 1 75 17 17 ALA H H 8.464 0.02 1 76 17 17 ALA C C 177.680 0.1 1 77 17 17 ALA CA C 52.539 0.1 1 78 17 17 ALA CB C 19.170 0.1 1 79 17 17 ALA N N 128.485 0.07 1 80 18 18 ALA H H 8.330 0.02 1 81 18 18 ALA C C 177.904 0.1 1 82 18 18 ALA CA C 52.660 0.1 1 83 18 18 ALA CB C 19.168 0.1 1 84 18 18 ALA N N 123.744 0.07 1 85 19 19 ALA H H 8.299 0.02 1 86 19 19 ALA C C 178.186 0.1 1 87 19 19 ALA CA C 52.741 0.1 1 88 19 19 ALA CB C 19.164 0.1 1 89 19 19 ALA N N 123.138 0.07 1 90 20 20 GLU H H 8.352 0.02 1 91 20 20 GLU C C 176.933 0.1 1 92 20 20 GLU CA C 56.867 0.1 1 93 20 20 GLU CB C 30.278 0.1 1 94 20 20 GLU N N 120.135 0.07 1 95 21 21 LYS H H 8.355 0.02 1 96 21 21 LYS C C 177.149 0.1 1 97 21 21 LYS CA C 56.782 0.1 1 98 21 21 LYS CB C 32.863 0.1 1 99 21 21 LYS N N 122.311 0.07 1 100 22 22 THR H H 8.155 0.02 1 101 22 22 THR C C 174.644 0.1 1 102 22 22 THR CA C 62.271 0.1 1 103 22 22 THR CB C 69.729 0.1 1 104 22 22 THR N N 115.307 0.07 1 105 23 23 LYS H H 8.369 0.02 1 106 23 23 LYS C C 176.716 0.1 1 107 23 23 LYS CA C 56.653 0.1 1 108 23 23 LYS CB C 32.982 0.1 1 109 23 23 LYS N N 123.808 0.07 1 110 24 24 GLN H H 8.446 0.02 1 111 24 24 GLN C C 177.033 0.1 1 112 24 24 GLN CA C 56.353 0.1 1 113 24 24 GLN CB C 29.544 0.1 1 114 24 24 GLN N N 121.842 0.07 1 115 25 25 GLY H H 8.505 0.02 1 116 25 25 GLY C C 174.253 0.1 1 117 25 25 GLY CA C 45.296 0.1 1 118 25 25 GLY N N 110.562 0.07 1 119 26 26 VAL H H 8.031 0.02 1 120 26 26 VAL C C 176.369 0.1 1 121 26 26 VAL CA C 62.464 0.1 1 122 26 26 VAL CB C 32.786 0.1 1 123 26 26 VAL N N 119.782 0.07 1 124 27 27 ALA H H 8.448 0.02 1 125 27 27 ALA C C 178.145 0.1 1 126 27 27 ALA CA C 52.834 0.1 1 127 27 27 ALA CB C 19.109 0.1 1 128 27 27 ALA N N 127.459 0.07 1 129 28 28 GLU H H 8.423 0.02 1 130 28 28 GLU C C 176.689 0.1 1 131 28 28 GLU CA C 56.880 0.1 1 132 28 28 GLU CB C 30.193 0.1 1 133 28 28 GLU N N 120.615 0.07 1 134 29 29 ALA H H 8.321 0.02 1 135 29 29 ALA C C 177.743 0.1 1 136 29 29 ALA CA C 52.706 0.1 1 137 29 29 ALA CB C 19.145 0.1 1 138 29 29 ALA N N 124.970 0.07 1 139 30 30 ALA H H 8.261 0.02 1 140 30 30 ALA C C 178.444 0.1 1 141 30 30 ALA CA C 52.827 0.1 1 142 30 30 ALA CB C 19.070 0.1 1 143 30 30 ALA N N 123.125 0.07 1 144 31 31 GLY H H 8.336 0.02 1 145 31 31 GLY C C 174.218 0.1 1 146 31 31 GLY CA C 45.364 0.1 1 147 31 31 GLY N N 107.819 0.07 1 148 32 32 LYS H H 8.135 0.02 1 149 32 32 LYS C C 177.000 0.1 1 150 32 32 LYS CA C 56.268 0.1 1 151 32 32 LYS CB C 33.291 0.1 1 152 32 32 LYS N N 120.776 0.07 1 153 33 33 THR H H 8.253 0.02 1 154 33 33 THR C C 174.668 0.1 1 155 33 33 THR CA C 61.991 0.1 1 156 33 33 THR CB C 69.904 0.1 1 157 33 33 THR N N 115.638 0.07 1 158 34 34 LYS H H 8.475 0.02 1 159 34 34 LYS C C 176.676 0.1 1 160 34 34 LYS CA C 56.538 0.1 1 161 34 34 LYS CB C 33.162 0.1 1 162 34 34 LYS N N 123.852 0.07 1 163 35 35 GLU H H 8.473 0.02 1 164 35 35 GLU C C 177.008 0.1 1 165 35 35 GLU CA C 56.864 0.1 1 166 35 35 GLU CB C 30.284 0.1 1 167 35 35 GLU N N 122.074 0.07 1 168 36 36 GLY H H 8.467 0.02 1 169 36 36 GLY C C 174.012 0.1 1 170 36 36 GLY CA C 45.344 0.1 1 171 36 36 GLY N N 110.057 0.07 1 172 37 37 VAL H H 7.930 0.02 1 173 37 37 VAL C C 175.912 0.1 1 174 37 37 VAL CA C 62.429 0.1 1 175 37 37 VAL CB C 32.842 0.1 1 176 37 37 VAL N N 119.615 0.07 1 177 38 38 LEU H H 8.304 0.02 1 178 38 38 LEU C C 176.659 0.1 1 179 38 38 LEU CA C 54.960 0.1 1 180 38 38 LEU CB C 42.497 0.1 1 181 38 38 LEU N N 125.874 0.07 1 182 39 39 TYR H H 8.291 0.02 1 183 39 39 TYR C C 175.580 0.1 1 184 39 39 TYR CA C 57.930 0.1 1 185 39 39 TYR CB C 38.836 0.1 1 186 39 39 TYR N N 122.475 0.07 1 187 40 40 VAL H H 8.103 0.02 1 188 40 40 VAL C C 176.153 0.1 1 189 40 40 VAL CA C 62.206 0.1 1 190 40 40 VAL CB C 32.845 0.1 1 191 40 40 VAL N N 123.378 0.07 1 192 41 41 GLY H H 8.069 0.02 1 193 41 41 GLY C C 173.979 0.1 1 194 41 41 GLY CA C 45.213 0.1 1 195 41 41 GLY N N 112.214 0.07 1 196 42 42 SER H H 8.263 0.02 1 197 42 42 SER C C 174.659 0.1 1 198 42 42 SER N N 115.652 0.07 1 199 43 43 LYS C C 174.320 0.1 1 200 43 43 LYS CA C 56.545 0.1 1 201 43 43 LYS CB C 33.027 0.1 1 202 44 44 THR H H 8.205 0.02 1 203 44 44 THR C C 174.688 0.1 1 204 44 44 THR CA C 61.834 0.1 1 205 44 44 THR CB C 69.826 0.1 1 206 44 44 THR N N 115.554 0.07 1 207 45 45 LYS H H 8.457 0.02 1 208 45 45 LYS C C 176.498 0.1 1 209 45 45 LYS CA C 56.584 0.1 1 210 45 45 LYS CB C 32.988 0.1 1 211 45 45 LYS N N 123.992 0.07 1 212 46 46 GLU H H 8.470 0.02 1 213 46 46 GLU C C 177.066 0.1 1 214 46 46 GLU CA C 56.932 0.1 1 215 46 46 GLU CB C 30.279 0.1 1 216 46 46 GLU N N 122.172 0.07 1 217 47 47 GLY H H 8.461 0.02 1 218 47 47 GLY C C 174.062 0.1 1 219 47 47 GLY CA C 45.294 0.1 1 220 47 47 GLY N N 110.058 0.07 1 221 48 48 VAL H H 7.931 0.02 1 222 48 48 VAL C C 176.502 0.1 1 223 48 48 VAL CA C 62.290 0.1 1 224 48 48 VAL CB C 32.887 0.1 1 225 48 48 VAL N N 120.037 0.07 1 226 49 49 VAL H H 8.306 0.02 1 227 49 49 VAL C C 175.839 0.1 1 228 49 49 VAL CA C 62.148 0.1 1 229 49 49 VAL CB C 32.778 0.1 1 230 49 49 VAL N N 125.214 0.07 1 231 50 50 HIS H H 8.482 0.02 1 232 50 50 HIS C C 175.963 0.1 1 233 50 50 HIS CA C 56.570 0.1 1 234 50 50 HIS CB C 31.373 0.1 1 235 50 50 HIS N N 124.979 0.07 1 236 51 51 GLY H H 8.416 0.02 1 237 51 51 GLY C C 173.796 0.1 1 238 51 51 GLY CA C 45.341 0.1 1 239 51 51 GLY N N 110.617 0.07 1 240 52 52 VAL H H 8.042 0.02 1 241 52 52 VAL C C 175.940 0.1 1 242 52 52 VAL CA C 62.112 0.1 1 243 52 52 VAL CB C 32.936 0.1 1 244 52 52 VAL N N 119.602 0.07 1 245 53 53 ALA H H 8.509 0.02 1 246 53 53 ALA C C 177.854 0.1 1 247 53 53 ALA CA C 52.475 0.1 1 248 53 53 ALA CB C 19.367 0.1 1 249 53 53 ALA N N 128.221 0.07 1 250 54 54 THR H H 8.240 0.02 1 251 54 54 THR C C 174.553 0.1 1 252 54 54 THR CA C 61.866 0.1 1 253 54 54 THR CB C 69.874 0.1 1 254 54 54 THR N N 114.899 0.07 1 255 55 55 VAL H H 8.257 0.02 1 256 55 55 VAL C C 175.856 0.1 1 257 55 55 VAL CA C 62.330 0.1 1 258 55 55 VAL CB C 32.818 0.1 1 259 55 55 VAL N N 123.118 0.07 1 260 56 56 ALA H H 8.442 0.02 1 261 56 56 ALA C C 177.763 0.1 1 262 56 56 ALA CA C 52.638 0.1 1 263 56 56 ALA CB C 19.211 0.1 1 264 56 56 ALA N N 128.170 0.07 1 265 57 57 GLU H H 8.401 0.02 1 266 57 57 GLU C C 176.693 0.1 1 267 57 57 GLU CA C 56.758 0.1 1 268 57 57 GLU CB C 30.522 0.1 1 269 57 57 GLU N N 120.946 0.07 1 270 58 58 LYS H H 8.452 0.02 1 271 58 58 LYS C C 176.958 0.1 1 272 58 58 LYS CA C 56.505 0.1 1 273 58 58 LYS CB C 32.988 0.1 1 274 58 58 LYS N N 122.849 0.07 1 275 59 59 THR H H 8.234 0.02 1 276 59 59 THR C C 174.700 0.1 1 277 59 59 THR CA C 62.160 0.1 1 278 59 59 THR CB C 69.796 0.1 1 279 59 59 THR N N 115.997 0.07 1 280 60 60 LYS H H 8.407 0.02 1 281 60 60 LYS C C 176.693 0.1 1 282 60 60 LYS CA C 56.649 0.1 1 283 60 60 LYS CB C 33.024 0.1 1 284 60 60 LYS N N 123.748 0.07 1 285 61 61 GLU H H 8.460 0.02 1 286 61 61 GLU C C 176.983 0.1 1 287 61 61 GLU CA C 56.634 0.1 1 288 61 61 GLU CB C 30.264 0.1 1 289 61 61 GLU N N 122.168 0.07 1 290 62 62 GLN H H 8.491 0.02 1 291 62 62 GLN C C 175.976 0.1 1 292 62 62 GLN CA C 55.808 0.1 1 293 62 62 GLN CB C 29.483 0.1 1 294 62 62 GLN N N 121.961 0.07 1 295 63 63 VAL H H 8.308 0.02 1 296 63 63 VAL C C 176.336 0.1 1 297 63 63 VAL CA C 62.498 0.1 1 298 63 63 VAL CB C 32.803 0.1 1 299 63 63 VAL N N 122.015 0.07 1 300 64 64 THR H H 8.323 0.02 1 301 64 64 THR C C 174.037 0.1 1 302 64 64 THR CA C 61.896 0.1 1 303 64 64 THR CB C 69.772 0.1 1 304 64 64 THR N N 118.130 0.07 1 305 65 65 ASN H H 8.552 0.02 1 306 65 65 ASN C C 175.258 0.1 1 307 65 65 ASN CA C 53.143 0.1 1 308 65 65 ASN CB C 38.900 0.1 1 309 65 65 ASN N N 121.894 0.07 1 310 66 66 VAL H H 8.264 0.02 1 311 66 66 VAL C C 176.850 0.1 1 312 66 66 VAL CA C 62.721 0.1 1 313 66 66 VAL CB C 32.541 0.1 1 314 66 66 VAL N N 120.801 0.07 1 315 67 67 GLY H H 8.576 0.02 1 316 67 67 GLY C C 174.651 0.1 1 317 67 67 GLY CA C 45.366 0.1 1 318 67 67 GLY N N 112.658 0.07 1 319 68 68 GLY H H 8.255 0.02 1 320 68 68 GLY C C 173.713 0.1 1 321 68 68 GLY CA C 45.141 0.1 1 322 68 68 GLY N N 108.859 0.07 1 323 69 69 ALA H H 8.186 0.02 1 324 69 69 ALA C C 177.647 0.1 1 325 69 69 ALA CA C 52.343 0.1 1 326 69 69 ALA CB C 19.426 0.1 1 327 69 69 ALA N N 123.821 0.07 1 328 70 70 VAL H H 8.239 0.02 1 329 70 70 VAL C C 176.350 0.1 1 330 70 70 VAL CA C 62.492 0.1 1 331 70 70 VAL CB C 32.666 0.1 1 332 70 70 VAL N N 120.550 0.07 1 333 71 71 VAL H H 8.411 0.02 1 334 71 71 VAL C C 176.286 0.1 1 335 71 71 VAL CA C 62.223 0.1 1 336 71 71 VAL CB C 32.745 0.1 1 337 71 71 VAL N N 125.453 0.07 1 338 72 72 THR H H 8.329 0.02 1 339 72 72 THR C C 174.909 0.1 1 340 72 72 THR CA C 61.973 0.1 1 341 72 72 THR CB C 69.969 0.1 1 342 72 72 THR N N 118.692 0.07 1 343 73 73 GLY H H 8.459 0.02 1 344 73 73 GLY C C 174.004 0.1 1 345 73 73 GLY CA C 45.286 0.1 1 346 73 73 GLY N N 111.406 0.07 1 347 74 74 VAL H H 8.100 0.02 1 348 74 74 VAL C C 176.562 0.1 1 349 74 74 VAL CA C 62.337 0.1 1 350 74 74 VAL CB C 32.897 0.1 1 351 74 74 VAL N N 119.560 0.07 1 352 75 75 THR H H 8.320 0.02 1 353 75 75 THR C C 174.077 0.1 1 354 75 75 THR CA C 62.062 0.1 1 355 75 75 THR CB C 69.763 0.1 1 356 75 75 THR N N 118.991 0.07 1 357 76 76 ALA H H 8.391 0.02 1 358 76 76 ALA C C 177.564 0.1 1 359 76 76 ALA CA C 52.489 0.1 1 360 76 76 ALA CB C 19.389 0.1 1 361 76 76 ALA N N 127.458 0.07 1 362 77 77 VAL H H 8.162 0.02 1 363 77 77 VAL C C 176.026 0.1 1 364 77 77 VAL CA C 62.217 0.1 1 365 77 77 VAL CB C 32.874 0.1 1 366 77 77 VAL N N 120.123 0.07 1 367 78 78 ALA H H 8.427 0.02 1 368 78 78 ALA C C 177.648 0.1 1 369 78 78 ALA CA C 52.496 0.1 1 370 78 78 ALA CB C 19.206 0.1 1 371 78 78 ALA N N 128.206 0.07 1 372 79 79 GLN H H 8.411 0.02 1 373 79 79 GLN C C 175.964 0.1 1 374 79 79 GLN CA C 55.734 0.1 1 375 79 79 GLN CB C 29.530 0.1 1 376 79 79 GLN N N 120.364 0.07 1 377 80 80 LYS H H 8.455 0.02 1 378 80 80 LYS C C 176.668 0.1 1 379 80 80 LYS CA C 56.387 0.1 1 380 80 80 LYS CB C 33.185 0.1 1 381 80 80 LYS N N 123.304 0.07 1 382 81 81 THR H H 8.313 0.02 1 383 81 81 THR C C 174.419 0.1 1 384 81 81 THR CA C 62.009 0.1 1 385 81 81 THR CB C 69.893 0.1 1 386 81 81 THR N N 116.951 0.07 1 387 82 82 VAL H H 8.324 0.02 1 388 82 82 VAL C C 176.145 0.1 1 389 82 82 VAL CA C 62.289 0.1 1 390 82 82 VAL CB C 32.863 0.1 1 391 82 82 VAL N N 123.084 0.07 1 392 83 83 GLU H H 8.596 0.02 1 393 83 83 GLU C C 177.025 0.1 1 394 83 83 GLU CA C 56.827 0.1 1 395 83 83 GLU CB C 30.245 0.1 1 396 83 83 GLU N N 125.390 0.07 1 397 84 84 GLY H H 8.536 0.02 1 398 84 84 GLY C C 174.128 0.1 1 399 84 84 GLY CA C 45.304 0.1 1 400 84 84 GLY N N 110.761 0.07 1 401 85 85 ALA H H 8.284 0.02 1 402 85 85 ALA C C 178.485 0.1 1 403 85 85 ALA CA C 52.914 0.1 1 404 85 85 ALA CB C 19.185 0.1 1 405 85 85 ALA N N 124.006 0.07 1 406 86 86 GLY H H 8.517 0.02 1 407 86 86 GLY C C 174.277 0.1 1 408 86 86 GLY CA C 45.330 0.1 1 409 86 86 GLY N N 108.239 0.07 1 410 87 87 SER H H 8.175 0.02 1 411 87 87 SER C C 174.709 0.1 1 412 87 87 SER CA C 58.373 0.1 1 413 87 87 SER CB C 63.830 0.1 1 414 87 87 SER N N 115.741 0.07 1 415 88 88 ILE H H 8.219 0.02 1 416 88 88 ILE C C 176.261 0.1 1 417 88 88 ILE CA C 61.377 0.1 1 418 88 88 ILE CB C 38.688 0.1 1 419 88 88 ILE N N 122.841 0.07 1 420 89 89 ALA H H 8.370 0.02 1 421 89 89 ALA C C 177.583 0.1 1 422 89 89 ALA CA C 52.606 0.1 1 423 89 89 ALA CB C 19.129 0.1 1 424 89 89 ALA N N 128.124 0.07 1 425 90 90 ALA H H 8.230 0.02 1 426 90 90 ALA C C 177.705 0.1 1 427 90 90 ALA CA C 52.521 0.1 1 428 90 90 ALA CB C 19.145 0.1 1 429 90 90 ALA N N 123.407 0.07 1 430 91 91 ALA H H 8.312 0.02 1 431 91 91 ALA C C 178.114 0.1 1 432 91 91 ALA CA C 52.675 0.1 1 433 91 91 ALA CB C 19.116 0.1 1 434 91 91 ALA N N 123.477 0.07 1 435 92 92 THR H H 8.115 0.02 1 436 92 92 THR C C 175.141 0.1 1 437 92 92 THR CA C 62.017 0.1 1 438 92 92 THR CB C 69.793 0.1 1 439 92 92 THR N N 112.688 0.07 1 440 93 93 GLY H H 8.329 0.02 1 441 93 93 GLY C C 173.597 0.1 1 442 93 93 GLY CA C 45.216 0.1 1 443 93 93 GLY N N 110.754 0.07 1 444 94 94 PHE H H 8.119 0.02 1 445 94 94 PHE C C 175.464 0.1 1 446 94 94 PHE CA C 57.787 0.1 1 447 94 94 PHE CB C 39.738 0.1 1 448 94 94 PHE N N 120.365 0.07 1 449 95 95 VAL H H 8.076 0.02 1 450 95 95 VAL C C 175.381 0.1 1 451 95 95 VAL CA C 62.040 0.1 1 452 95 95 VAL CB C 33.114 0.1 1 453 95 95 VAL N N 123.815 0.07 1 454 96 96 LYS H H 8.416 0.02 1 455 96 96 LYS C C 176.468 0.1 1 456 96 96 LYS CA C 56.428 0.1 1 457 96 96 LYS CB C 33.124 0.1 1 458 96 96 LYS N N 126.486 0.07 1 459 97 97 LYS H H 8.498 0.02 1 460 97 97 LYS C C 176.364 0.1 1 461 97 97 LYS CA C 56.583 0.1 1 462 97 97 LYS CB C 33.224 0.1 1 463 97 97 LYS N N 123.860 0.07 1 464 98 98 ASP H H 8.425 0.02 1 465 98 98 ASP C C 176.195 0.1 1 466 98 98 ASP CA C 54.478 0.1 1 467 98 98 ASP CB C 41.046 0.1 1 468 98 98 ASP N N 121.263 0.07 1 469 99 99 GLN H H 8.373 0.02 1 470 99 99 GLN C C 176.012 0.1 1 471 99 99 GLN CA C 55.890 0.1 1 472 99 99 GLN CB C 29.441 0.1 1 473 99 99 GLN N N 120.282 0.07 1 474 100 100 LEU H H 8.316 0.02 1 475 100 100 LEU C C 178.005 0.1 1 476 100 100 LEU CA C 55.423 0.1 1 477 100 100 LEU CB C 42.217 0.1 1 478 100 100 LEU N N 122.925 0.07 1 479 101 101 GLY H H 8.509 0.02 1 480 101 101 GLY C C 174.088 0.1 1 481 101 101 GLY CA C 45.305 0.1 1 482 101 101 GLY N N 109.875 0.07 1 483 102 102 LYS H H 8.230 0.02 1 484 102 102 LYS C C 176.452 0.1 1 485 102 102 LYS CA C 56.260 0.1 1 486 102 102 LYS CB C 33.115 0.1 1 487 102 102 LYS N N 120.799 0.07 1 488 103 103 ASN H H 8.641 0.02 1 489 103 103 ASN C C 175.290 0.1 1 490 103 103 ASN CA C 53.356 0.1 1 491 103 103 ASN CB C 38.816 0.1 1 492 103 103 ASN N N 120.075 0.07 1 493 104 104 GLU H H 8.502 0.02 1 494 104 104 GLU C C 176.560 0.1 1 495 104 104 GLU CA C 56.751 0.1 1 496 104 104 GLU CB C 30.221 0.1 1 497 104 104 GLU N N 121.490 0.07 1 498 105 105 GLU H H 8.495 0.02 1 499 105 105 GLU C C 177.042 0.1 1 500 105 105 GLU CA C 56.860 0.1 1 501 105 105 GLU CB C 30.348 0.1 1 502 105 105 GLU N N 122.091 0.07 1 503 106 106 GLY H H 8.454 0.02 1 504 106 106 GLY C C 173.414 0.1 1 505 106 106 GLY CA C 45.021 0.1 1 506 106 106 GLY N N 110.255 0.07 1 507 107 107 ALA H H 8.149 0.02 1 508 107 107 ALA C C 175.547 0.1 1 509 107 107 ALA CA C 50.519 0.1 1 510 107 107 ALA CB C 18.226 0.1 1 511 107 107 ALA N N 125.014 0.07 1 512 108 108 PRO C C 177.050 0.1 1 513 108 108 PRO CA C 63.139 0.1 1 514 108 108 PRO CB C 32.054 0.1 1 515 109 109 GLN H H 8.612 0.02 1 516 109 109 GLN C C 175.990 0.1 1 517 109 109 GLN CA C 55.702 0.1 1 518 109 109 GLN CB C 29.685 0.1 1 519 109 109 GLN N N 121.270 0.07 1 520 110 110 GLU H H 8.549 0.02 1 521 110 110 GLU C C 176.834 0.1 1 522 110 110 GLU CA C 56.830 0.1 1 523 110 110 GLU CB C 30.470 0.1 1 524 110 110 GLU N N 122.607 0.07 1 525 111 111 GLY H H 8.508 0.02 1 526 111 111 GLY C C 173.759 0.1 1 527 111 111 GLY CA C 45.296 0.1 1 528 111 111 GLY N N 110.316 0.07 1 529 112 112 ILE H H 8.026 0.02 1 530 112 112 ILE C C 176.244 0.1 1 531 112 112 ILE CA C 60.955 0.1 1 532 112 112 ILE CB C 38.690 0.1 1 533 112 112 ILE N N 120.223 0.07 1 534 113 113 LEU H H 8.432 0.02 1 535 113 113 LEU C C 177.159 0.1 1 536 113 113 LEU CA C 54.983 0.1 1 537 113 113 LEU CB C 42.388 0.1 1 538 113 113 LEU N N 127.134 0.07 1 539 114 114 GLU H H 8.447 0.02 1 540 114 114 GLU C C 175.889 0.1 1 541 114 114 GLU CA C 56.482 0.1 1 542 114 114 GLU CB C 30.633 0.1 1 543 114 114 GLU N N 122.372 0.07 1 544 115 115 ASP H H 8.382 0.02 1 545 115 115 ASP C C 175.788 0.1 1 546 115 115 ASP CA C 54.272 0.1 1 547 115 115 ASP CB C 41.159 0.1 1 548 115 115 ASP N N 121.507 0.07 1 549 116 116 MET H H 8.279 0.02 1 550 116 116 MET C C 174.062 0.1 1 551 116 116 MET CA C 53.198 0.1 1 552 116 116 MET CB C 32.508 0.1 1 553 116 116 MET N N 122.062 0.07 1 554 117 117 PRO C C 176.709 0.1 1 555 117 117 PRO CA C 62.929 0.1 1 556 117 117 PRO CB C 32.097 0.1 1 557 118 118 VAL H H 8.324 0.02 1 558 118 118 VAL C C 175.763 0.1 1 559 118 118 VAL CA C 61.966 0.1 1 560 118 118 VAL CB C 33.052 0.1 1 561 118 118 VAL N N 120.919 0.07 1 562 119 119 ASP H H 8.542 0.02 1 563 119 119 ASP C C 174.692 0.1 1 564 119 119 ASP CA C 52.113 0.1 1 565 119 119 ASP CB C 41.148 0.1 1 566 119 119 ASP N N 126.066 0.07 1 567 120 120 PRO C C 176.915 0.1 1 568 120 120 PRO CA C 63.497 0.1 1 569 120 120 PRO CB C 32.196 0.1 1 570 121 121 ASP H H 8.403 0.02 1 571 121 121 ASP C C 176.181 0.1 1 572 121 121 ASP CA C 54.569 0.1 1 573 121 121 ASP CB C 40.963 0.1 1 574 121 121 ASP N N 119.392 0.07 1 575 122 122 ASN H H 8.138 0.02 1 576 122 122 ASN C C 175.381 0.1 1 577 122 122 ASN CA C 53.500 0.1 1 578 122 122 ASN CB C 39.377 0.1 1 579 122 122 ASN N N 119.190 0.07 1 580 123 123 GLU H H 8.406 0.02 1 581 123 123 GLU C C 176.070 0.1 1 582 123 123 GLU CA C 56.907 0.1 1 583 123 123 GLU CB C 30.106 0.1 1 584 123 123 GLU N N 121.871 0.07 1 585 124 124 ALA H H 8.250 0.02 1 586 124 124 ALA C C 177.208 0.1 1 587 124 124 ALA CA C 52.346 0.1 1 588 124 124 ALA CB C 19.178 0.1 1 589 124 124 ALA N N 124.511 0.07 1 590 125 125 TYR H H 8.059 0.02 1 591 125 125 TYR C C 175.323 0.1 1 592 125 125 TYR CA C 57.791 0.1 1 593 125 125 TYR CB C 38.989 0.1 1 594 125 125 TYR N N 120.100 0.07 1 595 126 126 GLU H H 8.159 0.02 1 596 126 126 GLU C C 175.436 0.1 1 597 126 126 GLU CA C 55.670 0.1 1 598 126 126 GLU CB C 30.777 0.1 1 599 126 126 GLU N N 123.951 0.07 1 600 127 127 MET H H 8.445 0.02 1 601 127 127 MET C C 174.228 0.1 1 602 127 127 MET CA C 53.313 0.1 1 603 127 127 MET CB C 32.422 0.1 1 604 127 127 MET N N 123.996 0.07 1 605 128 128 PRO C C 176.879 0.1 1 606 128 128 PRO CA C 63.080 0.1 1 607 128 128 PRO CB C 32.179 0.1 1 608 129 129 SER H H 8.512 0.02 1 609 129 129 SER C C 174.775 0.1 1 610 129 129 SER CA C 58.264 0.1 1 611 129 129 SER CB C 63.899 0.1 1 612 129 129 SER N N 116.853 0.07 1 613 130 130 GLU H H 8.603 0.02 1 614 130 130 GLU C C 176.538 0.1 1 615 130 130 GLU CA C 56.557 0.1 1 616 130 130 GLU CB C 30.380 0.1 1 617 130 130 GLU N N 123.272 0.07 1 618 131 131 GLU H H 8.495 0.02 1 619 131 131 GLU C C 176.999 0.1 1 620 131 131 GLU CA C 56.878 0.1 1 621 131 131 GLU CB C 30.183 0.1 1 622 131 131 GLU N N 122.091 0.07 1 623 132 132 GLY H H 8.435 0.02 1 624 132 132 GLY C C 173.855 0.1 1 625 132 132 GLY CA C 45.183 0.1 1 626 132 132 GLY N N 110.011 0.07 1 627 133 133 TYR H H 8.088 0.02 1 628 133 133 TYR C C 175.730 0.1 1 629 133 133 TYR CA C 58.181 0.1 1 630 133 133 TYR CB C 38.795 0.1 1 631 133 133 TYR N N 120.373 0.07 1 632 134 134 GLN H H 8.253 0.02 1 633 134 134 GLN C C 174.867 0.1 1 634 134 134 GLN CA C 55.387 0.1 1 635 134 134 GLN CB C 29.858 0.1 1 636 134 134 GLN N N 122.813 0.07 1 637 135 135 ASP H H 8.257 0.02 1 638 135 135 ASP C C 175.497 0.1 1 639 135 135 ASP CA C 54.240 0.1 1 640 135 135 ASP CB C 41.146 0.1 1 641 135 135 ASP N N 121.758 0.07 1 642 136 136 TYR H H 8.059 0.02 1 643 136 136 TYR C C 175.077 0.1 1 644 136 136 TYR CA C 57.614 0.1 1 645 136 136 TYR CB C 39.115 0.1 1 646 136 136 TYR N N 120.548 0.07 1 647 137 137 GLU H H 8.276 0.02 1 648 137 137 GLU C C 173.701 0.1 1 649 137 137 GLU CA C 53.606 0.1 1 650 137 137 GLU CB C 30.341 0.1 1 651 137 137 GLU N N 125.509 0.07 1 652 138 138 PRO C C 176.858 0.1 1 653 138 138 PRO CA C 62.936 0.1 1 654 138 138 PRO CB C 32.266 0.1 1 655 139 139 GLU H H 8.545 0.02 1 656 139 139 GLU C C 175.407 0.1 1 657 139 139 GLU CA C 56.634 0.1 1 658 139 139 GLU CB C 30.341 0.1 1 659 139 139 GLU N N 121.648 0.07 1 660 140 140 ALA H H 8.016 0.02 1 661 140 140 ALA C C 176.575 0.1 1 662 140 140 ALA CA C 53.813 0.1 1 663 140 140 ALA CB C 20.261 0.1 1 664 140 140 ALA N N 130.998 0.07 1 stop_ save_