data_19337 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; alpha synuclein in PBS ; _BMRB_accession_number 19337 _BMRB_flat_file_name bmr19337.str _Entry_type original _Submission_date 2013-07-03 _Accession_date 2013-07-03 _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" 395 "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 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_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_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 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label aSyn $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_aSyn _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 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 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 19350 acet_aSyn 100.00 140 100.00 100.00 1.16e-89 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 $aSyn human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $aSyn '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 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 _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 176.001 0.1 1 2 2 2 ASP CA C 54.342 0.1 1 3 2 2 ASP CB C 41.546 0.1 1 4 3 3 VAL H H 8.257 0.02 1 5 3 3 VAL C C 175.953 0.1 1 6 3 3 VAL CA C 62.523 0.1 1 7 3 3 VAL CB C 32.612 0.1 1 8 3 3 VAL N N 120.372 0.07 1 9 4 4 PHE H H 8.364 0.02 1 10 4 4 PHE C C 175.879 0.1 1 11 4 4 PHE CA C 58.097 0.1 1 12 4 4 PHE CB C 39.456 0.1 1 13 4 4 PHE N N 123.507 0.07 1 14 5 5 MET H H 8.241 0.02 1 15 5 5 MET C C 175.993 0.1 1 16 5 5 MET CA C 55.337 0.1 1 17 5 5 MET CB C 32.666 0.1 1 18 5 5 MET N N 122.293 0.07 1 19 6 6 LYS H H 8.298 0.02 1 20 6 6 LYS C C 177.144 0.1 1 21 6 6 LYS CA C 56.893 0.1 1 22 6 6 LYS CB C 32.715 0.1 1 23 6 6 LYS N N 122.627 0.07 1 24 7 7 GLY C C 174.206 0.1 1 25 7 7 GLY CA C 45.223 0.1 1 26 8 8 LEU H H 8.080 0.02 1 27 8 8 LEU C C 177.660 0.1 1 28 8 8 LEU CA C 55.077 0.1 1 29 8 8 LEU CB C 42.550 0.1 1 30 8 8 LEU N N 121.599 0.07 1 31 9 9 SER H H 8.347 0.02 1 32 9 9 SER C C 174.582 0.1 1 33 9 9 SER CA C 58.300 0.1 1 34 9 9 SER CB C 63.791 0.1 1 35 9 9 SER N N 116.747 0.07 1 36 10 10 LYS C C 176.457 0.1 1 37 10 10 LYS CA C 56.170 0.1 1 38 10 10 LYS CB C 32.876 0.1 1 39 11 11 ALA H H 8.319 0.02 1 40 11 11 ALA C C 177.911 0.1 1 41 11 11 ALA CA C 52.641 0.1 1 42 11 11 ALA CB C 19.126 0.1 1 43 11 11 ALA N N 125.379 0.07 1 44 12 12 LYS H H 8.363 0.02 1 45 12 12 LYS C C 176.700 0.1 1 46 12 12 LYS CA C 56.479 0.1 1 47 12 12 LYS CB C 32.974 0.1 1 48 12 12 LYS N N 120.916 0.07 1 49 13 13 GLU H H 8.455 0.02 1 50 13 13 GLU N N 122.225 0.07 1 51 14 14 GLY H H 8.489 0.02 1 52 14 14 GLY C C 174.041 0.1 1 53 14 14 GLY CA C 45.304 0.1 1 54 14 14 GLY N N 110.120 0.07 1 55 15 15 VAL H H 8.003 0.02 1 56 15 15 VAL C C 176.466 0.1 1 57 15 15 VAL CA C 62.551 0.1 1 58 15 15 VAL CB C 32.876 0.1 1 59 15 15 VAL N N 120.164 0.07 1 60 16 16 VAL H H 8.329 0.02 1 61 16 16 VAL C C 176.002 0.1 1 62 16 16 VAL CA C 62.497 0.1 1 63 16 16 VAL CB C 32.762 0.1 1 64 16 16 VAL N N 125.317 0.07 1 65 17 17 ALA H H 8.473 0.02 1 66 17 17 ALA C C 177.668 0.1 1 67 17 17 ALA CA C 52.534 0.1 1 68 17 17 ALA CB C 19.260 0.1 1 69 17 17 ALA N N 128.528 0.07 1 70 18 18 ALA H H 8.342 0.02 1 71 18 18 ALA C C 177.912 0.1 1 72 18 18 ALA CA C 52.674 0.1 1 73 18 18 ALA CB C 19.177 0.1 1 74 18 18 ALA N N 123.758 0.07 1 75 19 19 ALA H H 8.305 0.02 1 76 19 19 ALA C C 178.199 0.1 1 77 19 19 ALA CA C 52.747 0.1 1 78 19 19 ALA CB C 19.116 0.1 1 79 19 19 ALA N N 123.138 0.07 1 80 20 20 GLU H H 8.361 0.02 1 81 20 20 GLU C C 176.945 0.1 1 82 20 20 GLU CA C 56.827 0.1 1 83 20 20 GLU CB C 30.276 0.1 1 84 20 20 GLU N N 120.152 0.07 1 85 21 21 LYS H H 8.365 0.02 1 86 21 21 LYS C C 177.152 0.1 1 87 21 21 LYS CA C 56.733 0.1 1 88 21 21 LYS CB C 32.840 0.1 1 89 21 21 LYS N N 122.325 0.07 1 90 22 22 THR H H 8.162 0.02 1 91 22 22 THR C C 174.696 0.1 1 92 22 22 THR CA C 62.211 0.1 1 93 22 22 THR CB C 69.751 0.1 1 94 22 22 THR N N 115.310 0.07 1 95 23 23 LYS H H 8.377 0.02 1 96 23 23 LYS C C 176.696 0.1 1 97 23 23 LYS CA C 56.673 0.1 1 98 23 23 LYS CB C 32.793 0.1 1 99 23 23 LYS N N 123.808 0.07 1 100 24 24 GLN H H 8.453 0.02 1 101 24 24 GLN C C 176.598 0.1 1 102 24 24 GLN CA C 56.158 0.1 1 103 24 24 GLN CB C 29.489 0.1 1 104 24 24 GLN N N 121.849 0.07 1 105 25 25 GLY H H 8.514 0.02 1 106 25 25 GLY C C 174.261 0.1 1 107 25 25 GLY CA C 45.319 0.1 1 108 25 25 GLY N N 110.587 0.07 1 109 26 26 VAL H H 8.044 0.02 1 110 26 26 VAL C C 176.377 0.1 1 111 26 26 VAL CA C 62.659 0.1 1 112 26 26 VAL CB C 32.801 0.1 1 113 26 26 VAL N N 119.795 0.07 1 114 27 27 ALA H H 8.455 0.02 1 115 27 27 ALA C C 178.129 0.1 1 116 27 27 ALA CA C 52.783 0.1 1 117 27 27 ALA CB C 19.030 0.1 1 118 27 27 ALA N N 127.467 0.07 1 119 28 28 GLU H H 8.431 0.02 1 120 28 28 GLU C C 176.668 0.1 1 121 28 28 GLU CA C 56.733 0.1 1 122 28 28 GLU CB C 30.198 0.1 1 123 28 28 GLU N N 120.638 0.07 1 124 29 29 ALA H H 8.321 0.02 1 125 29 29 ALA C C 177.733 0.1 1 126 29 29 ALA CA C 52.641 0.1 1 127 29 29 ALA CB C 19.217 0.1 1 128 29 29 ALA N N 125.021 0.07 1 129 30 30 ALA H H 8.269 0.02 1 130 30 30 ALA C C 178.470 0.1 1 131 30 30 ALA CA C 52.815 0.1 1 132 30 30 ALA CB C 19.083 0.1 1 133 30 30 ALA N N 123.132 0.07 1 134 31 31 GLY H H 8.344 0.02 1 135 31 31 GLY C C 174.220 0.1 1 136 31 31 GLY CA C 45.242 0.1 1 137 31 31 GLY N N 107.840 0.07 1 138 32 32 LYS H H 8.145 0.02 1 139 32 32 LYS C C 177.012 0.1 1 140 32 32 LYS CA C 56.225 0.1 1 141 32 32 LYS CB C 33.186 0.1 1 142 32 32 LYS N N 120.767 0.07 1 143 33 33 THR H H 8.258 0.02 1 144 33 33 THR C C 174.663 0.1 1 145 33 33 THR CA C 61.916 0.1 1 146 33 33 THR CB C 69.925 0.1 1 147 33 33 THR N N 115.654 0.07 1 148 34 34 LYS H H 8.496 0.02 1 149 34 34 LYS C C 176.499 0.1 1 150 34 34 LYS CA C 56.573 0.1 1 151 34 34 LYS CB C 32.974 0.1 1 152 34 34 LYS N N 123.873 0.07 1 153 35 35 GLU H H 8.473 0.02 1 154 35 35 GLU C C 176.971 0.1 1 155 35 35 GLU CA C 56.971 0.1 1 156 35 35 GLU CB C 30.227 0.1 1 157 35 35 GLU N N 122.074 0.07 1 158 36 36 GLY H H 8.435 0.02 1 159 36 36 GLY C C 174.027 0.1 1 160 36 36 GLY CA C 45.403 0.1 1 161 36 36 GLY N N 110.002 0.07 1 162 37 37 VAL H H 7.933 0.02 1 163 37 37 VAL C C 175.928 0.1 1 164 37 37 VAL CA C 62.275 0.1 1 165 37 37 VAL CB C 32.801 0.1 1 166 37 37 VAL N N 119.603 0.07 1 167 38 38 LEU H H 8.310 0.02 1 168 38 38 LEU C C 176.658 0.1 1 169 38 38 LEU CA C 54.917 0.1 1 170 38 38 LEU CB C 42.504 0.1 1 171 38 38 LEU N N 125.875 0.07 1 172 39 39 TYR H H 8.299 0.02 1 173 39 39 TYR C C 175.589 0.1 1 174 39 39 TYR CA C 57.958 0.1 1 175 39 39 TYR CB C 38.800 0.1 1 176 39 39 TYR N N 122.480 0.07 1 177 40 40 VAL H H 8.110 0.02 1 178 40 40 VAL C C 176.160 0.1 1 179 40 40 VAL CA C 62.160 0.1 1 180 40 40 VAL CB C 32.974 0.1 1 181 40 40 VAL N N 123.372 0.07 1 182 41 41 GLY H H 8.078 0.02 1 183 41 41 GLY C C 173.962 0.1 1 184 41 41 GLY CA C 45.155 0.1 1 185 41 41 GLY N N 112.213 0.07 1 186 42 42 SER H H 8.283 0.02 1 187 42 42 SER C C 174.737 0.1 1 188 42 42 SER CA C 58.332 0.1 1 189 42 42 SER CB C 63.838 0.1 1 190 42 42 SER N N 115.686 0.07 1 191 43 43 LYS C C 176.868 0.1 1 192 43 43 LYS CA C 56.427 0.1 1 193 43 43 LYS CB C 33.047 0.1 1 194 44 44 THR H H 8.211 0.02 1 195 44 44 THR C C 174.603 0.1 1 196 44 44 THR CA C 61.829 0.1 1 197 44 44 THR CB C 69.838 0.1 1 198 44 44 THR N N 115.535 0.07 1 199 45 45 LYS H H 8.464 0.02 1 200 45 45 LYS C C 176.482 0.1 1 201 45 45 LYS CA C 56.477 0.1 1 202 45 45 LYS CB C 33.092 0.1 1 203 45 45 LYS N N 123.889 0.07 1 204 46 46 GLU H H 8.470 0.02 1 205 46 46 GLU C C 176.974 0.1 1 206 46 46 GLU CA C 56.780 0.1 1 207 46 46 GLU CB C 30.229 0.1 1 208 46 46 GLU N N 122.172 0.07 1 209 47 47 GLY H H 8.461 0.02 1 210 47 47 GLY C C 173.865 0.1 1 211 47 47 GLY CA C 45.297 0.1 1 212 47 47 GLY N N 110.058 0.07 1 213 48 48 VAL H H 7.938 0.02 1 214 48 48 VAL C C 176.003 0.1 1 215 48 48 VAL CA C 62.477 0.1 1 216 48 48 VAL CB C 32.880 0.1 1 217 48 48 VAL N N 120.003 0.07 1 218 49 49 VAL H H 8.313 0.02 1 219 49 49 VAL C C 175.863 0.1 1 220 49 49 VAL CA C 62.282 0.1 1 221 49 49 VAL CB C 32.787 0.1 1 222 49 49 VAL N N 125.273 0.07 1 223 50 50 HIS H H 8.522 0.02 1 224 50 50 HIS C C 175.794 0.1 1 225 50 50 HIS CA C 56.206 0.1 1 226 50 50 HIS CB C 31.059 0.1 1 227 50 50 HIS N N 124.758 0.07 1 228 51 51 GLY H H 8.438 0.02 1 229 51 51 GLY C C 173.804 0.1 1 230 51 51 GLY CA C 45.115 0.1 1 231 51 51 GLY N N 110.627 0.07 1 232 52 52 VAL H H 8.061 0.02 1 233 52 52 VAL C C 175.941 0.1 1 234 52 52 VAL CA C 62.003 0.1 1 235 52 52 VAL CB C 33.014 0.1 1 236 52 52 VAL N N 119.615 0.07 1 237 53 53 ALA H H 8.518 0.02 1 238 53 53 ALA C C 177.842 0.1 1 239 53 53 ALA CA C 52.493 0.1 1 240 53 53 ALA CB C 19.351 0.1 1 241 53 53 ALA N N 128.232 0.07 1 242 54 54 THR H H 8.248 0.02 1 243 54 54 THR C C 174.551 0.1 1 244 54 54 THR CA C 61.933 0.1 1 245 54 54 THR CB C 70.007 0.1 1 246 54 54 THR N N 114.902 0.07 1 247 55 55 VAL H H 8.265 0.02 1 248 55 55 VAL C C 175.866 0.1 1 249 55 55 VAL CA C 62.227 0.1 1 250 55 55 VAL CB C 32.880 0.1 1 251 55 55 VAL N N 123.125 0.07 1 252 56 56 ALA H H 8.446 0.02 1 253 56 56 ALA C C 177.784 0.1 1 254 56 56 ALA CA C 52.502 0.1 1 255 56 56 ALA CB C 19.228 0.1 1 256 56 56 ALA N N 128.133 0.07 1 257 57 57 GLU H H 8.401 0.02 1 258 57 57 GLU C C 176.721 0.1 1 259 57 57 GLU CA C 56.708 0.1 1 260 57 57 GLU CB C 30.364 0.1 1 261 57 57 GLU N N 120.946 0.07 1 262 58 58 LYS H H 8.459 0.02 1 263 58 58 LYS C C 176.975 0.1 1 264 58 58 LYS CA C 56.502 0.1 1 265 58 58 LYS CB C 33.149 0.1 1 266 58 58 LYS N N 122.866 0.07 1 267 59 59 THR H H 8.240 0.02 1 268 59 59 THR C C 174.629 0.1 1 269 59 59 THR CA C 62.071 0.1 1 270 59 59 THR CB C 69.751 0.1 1 271 59 59 THR N N 115.991 0.07 1 272 60 60 LYS H H 8.416 0.02 1 273 60 60 LYS C C 176.697 0.1 1 274 60 60 LYS CA C 56.507 0.1 1 275 60 60 LYS CB C 32.977 0.1 1 276 60 60 LYS N N 123.748 0.07 1 277 61 61 GLU C C 176.446 0.1 1 278 61 61 GLU CA C 56.691 0.1 1 279 61 61 GLU CB C 30.467 0.1 1 280 62 62 GLN H H 8.453 0.02 1 281 62 62 GLN C C 175.974 0.1 1 282 62 62 GLN CA C 55.842 0.1 1 283 62 62 GLN CB C 29.540 0.1 1 284 62 62 GLN N N 121.849 0.07 1 285 63 63 VAL H H 8.315 0.02 1 286 63 63 VAL C C 176.353 0.1 1 287 63 63 VAL CA C 62.511 0.1 1 288 63 63 VAL CB C 32.816 0.1 1 289 63 63 VAL N N 122.000 0.07 1 290 64 64 THR H H 8.330 0.02 1 291 64 64 THR C C 174.059 0.1 1 292 64 64 THR CA C 61.821 0.1 1 293 64 64 THR CB C 69.936 0.1 1 294 64 64 THR N N 118.145 0.07 1 295 65 65 ASN H H 8.552 0.02 1 296 65 65 ASN C C 175.249 0.1 1 297 65 65 ASN CA C 53.080 0.1 1 298 65 65 ASN CB C 38.931 0.1 1 299 65 65 ASN N N 121.894 0.07 1 300 66 66 VAL H H 8.267 0.02 1 301 66 66 VAL C C 176.862 0.1 1 302 66 66 VAL CA C 62.733 0.1 1 303 66 66 VAL CB C 32.498 0.1 1 304 66 66 VAL N N 120.800 0.07 1 305 67 67 GLY H H 8.583 0.02 1 306 67 67 GLY C C 174.673 0.1 1 307 67 67 GLY CA C 45.356 0.1 1 308 67 67 GLY N N 112.678 0.07 1 309 68 68 GLY H H 8.262 0.02 1 310 68 68 GLY C C 173.738 0.1 1 311 68 68 GLY CA C 45.128 0.1 1 312 68 68 GLY N N 108.880 0.07 1 313 69 69 ALA H H 8.192 0.02 1 314 69 69 ALA C C 177.662 0.1 1 315 69 69 ALA CA C 52.387 0.1 1 316 69 69 ALA CB C 19.344 0.1 1 317 69 69 ALA N N 123.826 0.07 1 318 70 70 VAL H H 8.239 0.02 1 319 70 70 VAL C C 176.341 0.1 1 320 70 70 VAL CA C 62.549 0.1 1 321 70 70 VAL CB C 32.644 0.1 1 322 70 70 VAL N N 120.550 0.07 1 323 71 71 VAL H H 8.418 0.02 1 324 71 71 VAL C C 176.285 0.1 1 325 71 71 VAL CA C 62.144 0.1 1 326 71 71 VAL CB C 32.799 0.1 1 327 71 71 VAL N N 125.447 0.07 1 328 72 72 THR H H 8.335 0.02 1 329 72 72 THR C C 174.917 0.1 1 330 72 72 THR CA C 61.920 0.1 1 331 72 72 THR CB C 69.973 0.1 1 332 72 72 THR N N 118.687 0.07 1 333 73 73 GLY H H 8.465 0.02 1 334 73 73 GLY C C 174.030 0.1 1 335 73 73 GLY CA C 45.266 0.1 1 336 73 73 GLY N N 111.403 0.07 1 337 74 74 VAL H H 8.108 0.02 1 338 74 74 VAL C C 176.564 0.1 1 339 74 74 VAL CA C 62.392 0.1 1 340 74 74 VAL CB C 32.868 0.1 1 341 74 74 VAL N N 119.560 0.07 1 342 75 75 THR H H 8.326 0.02 1 343 75 75 THR C C 174.085 0.1 1 344 75 75 THR CA C 62.097 0.1 1 345 75 75 THR CB C 69.799 0.1 1 346 75 75 THR N N 118.981 0.07 1 347 76 76 ALA H H 8.397 0.02 1 348 76 76 ALA C C 177.575 0.1 1 349 76 76 ALA CA C 52.498 0.1 1 350 76 76 ALA CB C 19.305 0.1 1 351 76 76 ALA N N 127.458 0.07 1 352 77 77 VAL H H 8.167 0.02 1 353 77 77 VAL C C 176.021 0.1 1 354 77 77 VAL CA C 62.191 0.1 1 355 77 77 VAL CB C 32.874 0.1 1 356 77 77 VAL N N 120.115 0.07 1 357 78 78 ALA H H 8.434 0.02 1 358 78 78 ALA C C 177.637 0.1 1 359 78 78 ALA CA C 52.497 0.1 1 360 78 78 ALA CB C 19.081 0.1 1 361 78 78 ALA N N 128.160 0.07 1 362 79 79 GLN H H 8.417 0.02 1 363 79 79 GLN C C 175.954 0.1 1 364 79 79 GLN CA C 55.785 0.1 1 365 79 79 GLN CB C 29.580 0.1 1 366 79 79 GLN N N 120.350 0.07 1 367 80 80 LYS H H 8.461 0.02 1 368 80 80 LYS C C 176.691 0.1 1 369 80 80 LYS CA C 56.405 0.1 1 370 80 80 LYS CB C 33.151 0.1 1 371 80 80 LYS N N 123.326 0.07 1 372 81 81 THR H H 8.319 0.02 1 373 81 81 THR C C 174.446 0.1 1 374 81 81 THR CA C 61.853 0.1 1 375 81 81 THR CB C 69.972 0.1 1 376 81 81 THR N N 116.966 0.07 1 377 82 82 VAL H H 8.331 0.02 1 378 82 82 VAL C C 176.154 0.1 1 379 82 82 VAL CA C 62.359 0.1 1 380 82 82 VAL CB C 32.832 0.1 1 381 82 82 VAL N N 123.077 0.07 1 382 83 83 GLU H H 8.602 0.02 1 383 83 83 GLU C C 177.047 0.1 1 384 83 83 GLU CA C 56.791 0.1 1 385 83 83 GLU CB C 30.237 0.1 1 386 83 83 GLU N N 125.387 0.07 1 387 84 84 GLY H H 8.546 0.02 1 388 84 84 GLY C C 174.156 0.1 1 389 84 84 GLY CA C 45.242 0.1 1 390 84 84 GLY N N 110.761 0.07 1 391 85 85 ALA H H 8.289 0.02 1 392 85 85 ALA C C 178.503 0.1 1 393 85 85 ALA CA C 52.925 0.1 1 394 85 85 ALA CB C 19.188 0.1 1 395 85 85 ALA N N 124.009 0.07 1 396 86 86 GLY H H 8.523 0.02 1 397 86 86 GLY C C 174.312 0.1 1 398 86 86 GLY CA C 45.297 0.1 1 399 86 86 GLY N N 108.239 0.07 1 400 87 87 SER H H 8.180 0.02 1 401 87 87 SER C C 174.725 0.1 1 402 87 87 SER CA C 58.322 0.1 1 403 87 87 SER CB C 63.819 0.1 1 404 87 87 SER N N 115.745 0.07 1 405 88 88 ILE H H 8.219 0.02 1 406 88 88 ILE C C 176.279 0.1 1 407 88 88 ILE CA C 61.407 0.1 1 408 88 88 ILE CB C 38.681 0.1 1 409 88 88 ILE N N 122.841 0.07 1 410 89 89 ALA H H 8.376 0.02 1 411 89 89 ALA C C 177.569 0.1 1 412 89 89 ALA CA C 52.633 0.1 1 413 89 89 ALA CB C 19.074 0.1 1 414 89 89 ALA N N 128.120 0.07 1 415 90 90 ALA H H 8.236 0.02 1 416 90 90 ALA C C 177.733 0.1 1 417 90 90 ALA CA C 52.456 0.1 1 418 90 90 ALA CB C 19.207 0.1 1 419 90 90 ALA N N 123.406 0.07 1 420 91 91 ALA H H 8.318 0.02 1 421 91 91 ALA C C 178.141 0.1 1 422 91 91 ALA CA C 52.640 0.1 1 423 91 91 ALA CB C 19.182 0.1 1 424 91 91 ALA N N 123.484 0.07 1 425 92 92 THR H H 8.121 0.02 1 426 92 92 THR C C 175.161 0.1 1 427 92 92 THR CA C 61.956 0.1 1 428 92 92 THR CB C 69.764 0.1 1 429 92 92 THR N N 112.683 0.07 1 430 93 93 GLY H H 8.336 0.02 1 431 93 93 GLY C C 173.626 0.1 1 432 93 93 GLY CA C 45.201 0.1 1 433 93 93 GLY N N 110.757 0.07 1 434 94 94 PHE H H 8.119 0.02 1 435 94 94 PHE C C 175.480 0.1 1 436 94 94 PHE CA C 57.958 0.1 1 437 94 94 PHE CB C 39.722 0.1 1 438 94 94 PHE N N 120.365 0.07 1 439 95 95 VAL H H 8.083 0.02 1 440 95 95 VAL C C 175.412 0.1 1 441 95 95 VAL CA C 62.040 0.1 1 442 95 95 VAL CB C 33.251 0.1 1 443 95 95 VAL N N 123.809 0.07 1 444 96 96 LYS H H 8.423 0.02 1 445 96 96 LYS C C 176.496 0.1 1 446 96 96 LYS CA C 56.382 0.1 1 447 96 96 LYS CB C 33.051 0.1 1 448 96 96 LYS N N 126.484 0.07 1 449 97 97 LYS H H 8.498 0.02 1 450 97 97 LYS C C 176.371 0.1 1 451 97 97 LYS CA C 56.525 0.1 1 452 97 97 LYS CB C 33.181 0.1 1 453 97 97 LYS N N 123.860 0.07 1 454 98 98 ASP H H 8.433 0.02 1 455 98 98 ASP C C 176.221 0.1 1 456 98 98 ASP CA C 54.424 0.1 1 457 98 98 ASP CB C 41.074 0.1 1 458 98 98 ASP N N 121.279 0.07 1 459 99 99 GLN H H 8.374 0.02 1 460 99 99 GLN C C 176.033 0.1 1 461 99 99 GLN CA C 55.968 0.1 1 462 99 99 GLN CB C 29.442 0.1 1 463 99 99 GLN N N 120.238 0.07 1 464 100 100 LEU H H 8.327 0.02 1 465 100 100 LEU C C 178.003 0.1 1 466 100 100 LEU CA C 55.477 0.1 1 467 100 100 LEU CB C 42.249 0.1 1 468 100 100 LEU N N 122.925 0.07 1 469 101 101 GLY H H 8.509 0.02 1 470 101 101 GLY C C 174.092 0.1 1 471 101 101 GLY CA C 45.304 0.1 1 472 101 101 GLY N N 109.875 0.07 1 473 102 102 LYS H H 8.238 0.02 1 474 102 102 LYS C C 176.464 0.1 1 475 102 102 LYS CA C 56.206 0.1 1 476 102 102 LYS CB C 32.966 0.1 1 477 102 102 LYS N N 120.812 0.07 1 478 103 103 ASN H H 8.649 0.02 1 479 103 103 ASN C C 175.297 0.1 1 480 103 103 ASN CA C 53.315 0.1 1 481 103 103 ASN CB C 38.809 0.1 1 482 103 103 ASN N N 120.077 0.07 1 483 104 104 GLU H H 8.510 0.02 1 484 104 104 GLU C C 176.560 0.1 1 485 104 104 GLU CA C 56.740 0.1 1 486 104 104 GLU CB C 30.180 0.1 1 487 104 104 GLU N N 121.476 0.07 1 488 105 105 GLU H H 8.501 0.02 1 489 105 105 GLU C C 177.015 0.1 1 490 105 105 GLU CA C 56.717 0.1 1 491 105 105 GLU CB C 30.316 0.1 1 492 105 105 GLU N N 122.015 0.07 1 493 106 106 GLY H H 8.461 0.02 1 494 106 106 GLY C C 173.439 0.1 1 495 106 106 GLY CA C 45.033 0.1 1 496 106 106 GLY N N 110.248 0.07 1 497 107 107 ALA H H 8.155 0.02 1 498 107 107 ALA C C 175.573 0.1 1 499 107 107 ALA CA C 50.493 0.1 1 500 107 107 ALA CB C 18.240 0.1 1 501 107 107 ALA N N 125.013 0.07 1 502 108 108 PRO C C 177.064 0.1 1 503 108 108 PRO CA C 63.149 0.1 1 504 108 108 PRO CB C 32.051 0.1 1 505 109 109 GLN H H 8.619 0.02 1 506 109 109 GLN C C 175.997 0.1 1 507 109 109 GLN CA C 55.699 0.1 1 508 109 109 GLN CB C 29.669 0.1 1 509 109 109 GLN N N 121.267 0.07 1 510 110 110 GLU H H 8.555 0.02 1 511 110 110 GLU C C 176.863 0.1 1 512 110 110 GLU CA C 56.653 0.1 1 513 110 110 GLU CB C 30.427 0.1 1 514 110 110 GLU N N 122.621 0.07 1 515 111 111 GLY H H 8.516 0.02 1 516 111 111 GLY C C 173.768 0.1 1 517 111 111 GLY CA C 45.202 0.1 1 518 111 111 GLY N N 110.316 0.07 1 519 112 112 ILE H H 8.026 0.02 1 520 112 112 ILE C C 176.259 0.1 1 521 112 112 ILE CA C 60.880 0.1 1 522 112 112 ILE CB C 38.672 0.1 1 523 112 112 ILE N N 120.223 0.07 1 524 113 113 LEU H H 8.438 0.02 1 525 113 113 LEU C C 177.137 0.1 1 526 113 113 LEU CA C 54.975 0.1 1 527 113 113 LEU CB C 42.393 0.1 1 528 113 113 LEU N N 127.127 0.07 1 529 114 114 GLU H H 8.451 0.02 1 530 114 114 GLU C C 175.883 0.1 1 531 114 114 GLU CA C 56.517 0.1 1 532 114 114 GLU CB C 30.603 0.1 1 533 114 114 GLU N N 122.324 0.07 1 534 115 115 ASP H H 8.389 0.02 1 535 115 115 ASP C C 175.762 0.1 1 536 115 115 ASP CA C 54.288 0.1 1 537 115 115 ASP CB C 41.166 0.1 1 538 115 115 ASP N N 121.516 0.07 1 539 116 116 MET H H 8.288 0.02 1 540 116 116 MET C C 174.060 0.1 1 541 116 116 MET CA C 53.227 0.1 1 542 116 116 MET CB C 32.492 0.1 1 543 116 116 MET N N 122.087 0.07 1 544 117 117 PRO C C 176.724 0.1 1 545 117 117 PRO CA C 62.900 0.1 1 546 117 117 PRO CB C 32.134 0.1 1 547 118 118 VAL H H 8.331 0.02 1 548 118 118 VAL C C 175.762 0.1 1 549 118 118 VAL CA C 62.007 0.1 1 550 118 118 VAL CB C 33.086 0.1 1 551 118 118 VAL N N 120.919 0.07 1 552 119 119 ASP H H 8.548 0.02 1 553 119 119 ASP C C 174.711 0.1 1 554 119 119 ASP CA C 52.110 0.1 1 555 119 119 ASP CB C 41.127 0.1 1 556 119 119 ASP N N 126.057 0.07 1 557 120 120 PRO C C 176.928 0.1 1 558 120 120 PRO CA C 63.532 0.1 1 559 120 120 PRO CB C 32.205 0.1 1 560 121 121 ASP H H 8.410 0.02 1 561 121 121 ASP C C 176.186 0.1 1 562 121 121 ASP CA C 54.559 0.1 1 563 121 121 ASP CB C 40.956 0.1 1 564 121 121 ASP N N 119.388 0.07 1 565 122 122 ASN H H 8.144 0.02 1 566 122 122 ASN C C 175.384 0.1 1 567 122 122 ASN CA C 53.493 0.1 1 568 122 122 ASN CB C 39.344 0.1 1 569 122 122 ASN N N 119.189 0.07 1 570 123 123 GLU H H 8.414 0.02 1 571 123 123 GLU C C 176.085 0.1 1 572 123 123 GLU CA C 56.899 0.1 1 573 123 123 GLU CB C 30.113 0.1 1 574 123 123 GLU N N 121.864 0.07 1 575 124 124 ALA H H 8.256 0.02 1 576 124 124 ALA C C 177.206 0.1 1 577 124 124 ALA CA C 52.299 0.1 1 578 124 124 ALA CB C 19.193 0.1 1 579 124 124 ALA N N 124.506 0.07 1 580 125 125 TYR H H 8.059 0.02 1 581 125 125 TYR C C 175.340 0.1 1 582 125 125 TYR CA C 57.801 0.1 1 583 125 125 TYR CB C 39.004 0.1 1 584 125 125 TYR N N 120.100 0.07 1 585 126 126 GLU H H 8.165 0.02 1 586 126 126 GLU C C 175.436 0.1 1 587 126 126 GLU CA C 55.641 0.1 1 588 126 126 GLU CB C 30.789 0.1 1 589 126 126 GLU N N 123.933 0.07 1 590 127 127 MET H H 8.446 0.02 1 591 127 127 MET C C 174.248 0.1 1 592 127 127 MET CA C 53.280 0.1 1 593 127 127 MET CB C 32.626 0.1 1 594 127 127 MET N N 123.982 0.07 1 595 128 128 PRO C C 176.894 0.1 1 596 128 128 PRO CA C 63.099 0.1 1 597 128 128 PRO CB C 32.200 0.1 1 598 129 129 SER H H 8.517 0.02 1 599 129 129 SER C C 174.806 0.1 1 600 129 129 SER CA C 58.297 0.1 1 601 129 129 SER CB C 63.924 0.1 1 602 129 129 SER N N 116.860 0.07 1 603 130 130 GLU H H 8.608 0.02 1 604 130 130 GLU C C 176.533 0.1 1 605 130 130 GLU CA C 56.484 0.1 1 606 130 130 GLU CB C 30.327 0.1 1 607 130 130 GLU N N 123.284 0.07 1 608 131 131 GLU C C 177.015 0.1 1 609 131 131 GLU CA C 56.837 0.1 1 610 131 131 GLU CB C 30.253 0.1 1 611 132 132 GLY H H 8.469 0.02 1 612 132 132 GLY C C 173.840 0.1 1 613 132 132 GLY CA C 45.176 0.1 1 614 132 132 GLY N N 110.073 0.07 1 615 133 133 TYR H H 8.093 0.02 1 616 133 133 TYR C C 175.739 0.1 1 617 133 133 TYR CA C 58.215 0.1 1 618 133 133 TYR CB C 38.767 0.1 1 619 133 133 TYR N N 120.403 0.07 1 620 134 134 GLN H H 8.253 0.02 1 621 134 134 GLN C C 174.875 0.1 1 622 134 134 GLN CA C 55.472 0.1 1 623 134 134 GLN CB C 29.859 0.1 1 624 134 134 GLN N N 122.813 0.07 1 625 135 135 ASP H H 8.264 0.02 1 626 135 135 ASP C C 175.521 0.1 1 627 135 135 ASP CA C 54.267 0.1 1 628 135 135 ASP CB C 41.194 0.1 1 629 135 135 ASP N N 121.777 0.07 1 630 136 136 TYR H H 8.070 0.02 1 631 136 136 TYR C C 175.078 0.1 1 632 136 136 TYR CA C 57.607 0.1 1 633 136 136 TYR CB C 39.113 0.1 1 634 136 136 TYR N N 120.581 0.07 1 635 137 137 GLU H H 8.281 0.02 1 636 137 137 GLU C C 173.704 0.1 1 637 137 137 GLU CA C 53.647 0.1 1 638 137 137 GLU CB C 30.301 0.1 1 639 137 137 GLU N N 125.500 0.07 1 640 138 138 PRO C C 176.874 0.1 1 641 138 138 PRO CA C 62.969 0.1 1 642 138 138 PRO CB C 32.287 0.1 1 643 139 139 GLU H H 8.553 0.02 1 644 139 139 GLU C C 175.406 0.1 1 645 139 139 GLU CA C 56.635 0.1 1 646 139 139 GLU CB C 30.324 0.1 1 647 139 139 GLU N N 121.689 0.07 1 648 140 140 ALA H H 8.023 0.02 1 649 140 140 ALA CA C 53.817 0.1 1 650 140 140 ALA CB C 20.248 0.1 1 651 140 140 ALA N N 130.996 0.07 1 stop_ save_