data_16302 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SLAS-bound alpha-synuclein ; _BMRB_accession_number 16302 _BMRB_flat_file_name bmr16302.str _Entry_type original _Submission_date 2009-05-14 _Accession_date 2009-05-14 _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 Rao 'Jampani Nageswara' . . 2 Kim Yujin E. . 3 Park Leena S. . 4 Ulmer Tobias S. . 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" 378 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-09 update author 'add related PDB entry' 2009-06-24 update BMRB 'complete entry citation' 2009-06-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16300 'free aS' 16301 'free SaS' 16303 SaS-SLAS 16304 bS-SLAS stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Effect of Pseudorepeat Rearrangement on alpha-Synuclein Misfolding, Vesicle Binding, and Micelle Binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19481090 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rao 'Jampani Nageswara' . . 2 Kim Yujin E. . 3 Park Leena S. . 4 Ulmer Tobias S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 390 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 516 _Page_last 529 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label monomer $alpha-synuclein stop_ _System_molecular_weight . _System_physical_state 'SLAS micelle-bound' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_alpha-synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha-synuclein _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 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16300 alpha-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 16342 human_a-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 16543 "monomer alpha-synuclein" 100.00 140 100.00 100.00 1.13e-89 BMRB 16546 A30P_alpha-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 16547 E46K_alpha-synuclein 100.00 140 99.29 100.00 4.77e-89 BMRB 16548 A53T_alpha-synuclein 100.00 140 99.29 99.29 3.97e-89 BMRB 16904 alpha-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 16939 WT_alpha-synuclein_fibrils 100.00 140 99.29 99.29 2.02e-88 BMRB 17214 A30P_alpha-synuclein 100.00 140 99.29 99.29 9.92e-89 BMRB 17498 alpha-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 17648 A30P_alpha-synuclein 100.00 140 98.57 98.57 2.16e-87 BMRB 17649 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 7.32e-88 BMRB 17654 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 8.52e-88 BMRB 17665 aSyn 100.00 150 100.00 100.00 5.06e-89 BMRB 17910 wild-type_alpha-synuclein_formed_in_phospholipid_vesicles 100.00 140 99.29 99.29 2.02e-88 BMRB 18207 A53T_alpha-synuclein_fibrils 100.00 140 98.57 98.57 7.32e-88 BMRB 18208 E46K_alpha-synuclein_fibrils 100.00 140 98.57 99.29 8.52e-88 BMRB 18243 alpha-synuclein_fibrils 100.00 140 99.29 99.29 2.02e-88 BMRB 18857 alpha_synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 18860 a-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 19257 Alpha-synuclein 100.00 140 100.00 100.00 1.13e-89 BMRB 19337 aSyn 100.00 140 100.00 100.00 1.13e-89 BMRB 19338 aSyn_A53T 100.00 140 99.29 99.29 3.97e-89 BMRB 19344 aSyn_S87N 100.00 140 99.29 100.00 4.33e-89 BMRB 19345 aSyn_A53T&S87N 100.00 140 98.57 99.29 1.93e-88 BMRB 19350 acet_aSyn 100.00 140 100.00 100.00 1.13e-89 BMRB 19351 acet_aSyn_A53T 100.00 140 99.29 99.29 3.97e-89 BMRB 25227 aSyn-WT 100.00 140 100.00 100.00 1.13e-89 BMRB 25228 H50Q 100.00 140 99.29 99.29 1.71e-88 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 100.00 100.00 1.13e-89 PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 100.00 140 100.00 100.00 1.13e-89 DBJ BAB29375 "unnamed protein product [Mus musculus]" 72.86 122 97.06 99.02 2.54e-56 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 DBJ BAG73790 "synuclein, alpha [synthetic construct]" 100.00 140 100.00 100.00 1.13e-89 EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 GB AAA16117 "AD amyloid [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 GB AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 98.57 98.57 5.63e-88 GB AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 GB AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 GB AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-89 REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 100.00 140 100.00 100.00 1.13e-89 REF NP_001032222 "alpha-synuclein [Sus scrofa]" 100.00 140 97.86 97.86 1.57e-86 REF NP_001129014 "alpha-synuclein [Pongo abelii]" 100.00 140 99.29 99.29 1.89e-88 REF NP_001139526 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 1.13e-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 1.13e-89 SP P61139 "RecName: Full=Alpha-synuclein" 100.00 140 99.29 100.00 2.37e-89 SP P61140 "RecName: Full=Alpha-synuclein" 100.00 140 100.00 100.00 1.13e-89 SP P61142 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 100.00 3.29e-89 SP P61143 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 100.00 3.29e-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 $alpha-synuclein Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $alpha-synuclein 'recombinant technology' . Escherichia coli . pET-42 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 $alpha-synuclein 0.75 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium lauroyl sarcosinate' 75 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM NaH2PO4/Na2HPO4, pH 7.4, 0.02% NaN3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.4 . pH pressure 1 . atm temperature 298.2 . 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 water C 13 protons ppm 4.771 internal indirect . . . 0.25144954 water H 1 protons ppm 4.771 internal direct . . . 1 water N 15 protons ppm 4.771 internal indirect . . . 0.10132900 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 '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name monomer _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 VAL H H 8.373 0.020 1 2 3 3 VAL C C 176.748 0.3 1 3 3 3 VAL CA C 64.175 0.3 1 4 3 3 VAL CB C 31.350 0.3 1 5 3 3 VAL N N 119.319 0.3 1 6 4 4 PHE H H 8.150 0.020 1 7 4 4 PHE C C 176.748 0.3 1 8 4 4 PHE CA C 59.580 0.3 1 9 4 4 PHE CB C 38.004 0.3 1 10 4 4 PHE N N 121.120 0.3 1 11 5 5 MET H H 8.269 0.020 1 12 5 5 MET C C 178.752 0.3 1 13 5 5 MET CA C 56.667 0.3 1 14 5 5 MET CB C 30.445 0.3 1 15 5 5 MET N N 118.681 0.3 1 16 6 6 LYS H H 8.312 0.020 1 17 6 6 LYS C C 179.114 0.3 1 18 6 6 LYS CA C 58.351 0.3 1 19 6 6 LYS CB C 30.924 0.3 1 20 6 6 LYS N N 121.040 0.3 1 21 7 7 GLY H H 8.290 0.020 1 22 7 7 GLY C C 175.016 0.3 1 23 7 7 GLY CA C 46.461 0.3 1 24 7 7 GLY N N 108.714 0.3 1 25 8 8 LEU H H 8.308 0.020 1 26 8 8 LEU C C 178.440 0.3 1 27 8 8 LEU CA C 57.229 0.3 1 28 8 8 LEU CB C 40.452 0.3 1 29 8 8 LEU N N 122.169 0.3 1 30 9 9 SER H H 8.144 0.020 1 31 9 9 SER C C 176.785 0.3 1 32 9 9 SER CA C 61.504 0.3 1 33 9 9 SER N N 114.437 0.3 1 34 10 10 LYS H H 7.865 0.020 1 35 10 10 LYS C C 178.954 0.3 1 36 10 10 LYS CA C 57.816 0.3 1 37 10 10 LYS CB C 30.871 0.3 1 38 10 10 LYS N N 122.041 0.3 1 39 11 11 ALA H H 8.226 0.020 1 40 11 11 ALA C C 178.661 0.3 1 41 11 11 ALA CA C 54.396 0.3 1 42 11 11 ALA CB C 17.138 0.3 1 43 11 11 ALA N N 122.974 0.3 1 44 12 12 LYS H H 8.290 0.020 1 45 12 12 LYS C C 177.817 0.3 1 46 12 12 LYS CA C 59.794 0.3 1 47 12 12 LYS CB C 30.978 0.3 1 48 12 12 LYS N N 118.159 0.3 1 49 13 13 GLU H H 8.010 0.020 1 50 13 13 GLU C C 179.753 0.3 1 51 13 13 GLU CA C 58.805 0.3 1 52 13 13 GLU CB C 28.423 0.3 1 53 13 13 GLU N N 117.638 0.3 1 54 14 14 GLY H H 8.234 0.020 1 55 14 14 GLY C C 175.693 0.3 1 56 14 14 GLY CA C 46.541 0.3 1 57 14 14 GLY N N 107.994 0.3 1 58 15 15 VAL H H 8.273 0.020 1 59 15 15 VAL C C 177.215 0.3 1 60 15 15 VAL CA C 66.233 0.3 1 61 15 15 VAL CB C 30.871 0.3 1 62 15 15 VAL N N 122.881 0.3 1 63 16 16 VAL H H 8.150 0.020 1 64 16 16 VAL C C 178.284 0.3 1 65 16 16 VAL CA C 66.393 0.3 1 66 16 16 VAL CB C 30.871 0.3 1 67 16 16 VAL N N 120.400 0.3 1 68 17 17 ALA H H 7.960 0.020 1 69 17 17 ALA C C 180.441 0.3 1 70 17 17 ALA CA C 54.263 0.3 1 71 17 17 ALA CB C 17.191 0.3 1 72 17 17 ALA N N 121.760 0.3 1 73 18 18 ALA H H 8.060 0.020 1 74 18 18 ALA C C 179.919 0.3 1 75 18 18 ALA CA C 54.102 0.3 1 76 18 18 ALA CB C 17.298 0.3 1 77 18 18 ALA N N 121.440 0.3 1 78 19 19 ALA H H 8.508 0.020 1 79 19 19 ALA C C 179.326 0.3 1 80 19 19 ALA CA C 54.583 0.3 1 81 19 19 ALA CB C 17.298 0.3 1 82 19 19 ALA N N 122.961 0.3 1 83 20 20 GLU H H 8.239 0.020 1 84 20 20 GLU C C 178.874 0.3 1 85 20 20 GLU CA C 58.728 0.3 1 86 20 20 GLU CB C 28.423 0.3 1 87 20 20 GLU N N 119.039 0.3 1 88 21 21 LYS H H 7.960 0.020 1 89 21 21 LYS C C 178.994 0.3 1 90 21 21 LYS CA C 58.244 0.3 1 91 21 21 LYS CB C 31.350 0.3 1 92 21 21 LYS N N 119.359 0.3 1 93 22 22 THR H H 7.988 0.020 1 94 22 22 THR C C 175.787 0.3 1 95 22 22 THR CA C 65.030 0.3 1 96 22 22 THR CB C 68.078 0.3 1 97 22 22 THR N N 115.517 0.3 1 98 23 23 LYS H H 8.128 0.020 1 99 23 23 LYS C C 177.996 0.3 1 100 23 23 LYS CA C 58.671 0.3 1 101 23 23 LYS CB C 31.244 0.3 1 102 23 23 LYS N N 122.081 0.3 1 103 24 24 GLN H H 8.038 0.020 1 104 24 24 GLN C C 177.717 0.3 1 105 24 24 GLN CA C 57.122 0.3 1 106 24 24 GLN CB C 27.731 0.3 1 107 24 24 GLN N N 118.719 0.3 1 108 25 25 GLY H H 8.195 0.020 1 109 25 25 GLY C C 175.561 0.3 1 110 25 25 GLY CA C 45.900 0.3 1 111 25 25 GLY N N 108.794 0.3 1 112 26 26 VAL H H 8.166 0.020 1 113 26 26 VAL C C 176.798 0.3 1 114 26 26 VAL CA C 64.256 0.3 1 115 26 26 VAL CB C 31.350 0.3 1 116 26 26 VAL N N 121.127 0.3 1 117 27 27 ALA H H 8.161 0.020 1 118 27 27 ALA C C 179.606 0.3 1 119 27 27 ALA CA C 53.889 0.3 1 120 27 27 ALA CB C 17.191 0.3 1 121 27 27 ALA N N 124.362 0.3 1 122 28 28 GLU H H 8.211 0.020 1 123 28 28 GLU C C 177.730 0.3 1 124 28 28 GLU CA C 57.362 0.3 1 125 28 28 GLU CB C 28.742 0.3 1 126 28 28 GLU N N 118.959 0.3 1 127 29 29 ALA H H 8.010 0.020 1 128 29 29 ALA C C 178.502 0.3 1 129 29 29 ALA CA C 53.167 0.3 1 130 29 29 ALA CB C 17.777 0.3 1 131 29 29 ALA N N 123.481 0.3 1 132 30 30 ALA H H 8.301 0.020 1 133 30 30 ALA C C 178.781 0.3 1 134 30 30 ALA CA C 53.194 0.3 1 135 30 30 ALA CB C 17.724 0.3 1 136 30 30 ALA N N 122.175 0.3 1 137 31 31 GLY H H 8.234 0.020 1 138 31 31 GLY C C 174.962 0.3 1 139 31 31 GLY CA C 45.606 0.3 1 140 31 31 GLY N N 107.313 0.3 1 141 32 32 LYS H H 8.030 0.020 1 142 32 32 LYS C C 177.557 0.3 1 143 32 32 LYS CA C 56.561 0.3 1 144 32 32 LYS CB C 31.616 0.3 1 145 32 32 LYS N N 121.084 0.3 1 146 33 33 THR H H 8.116 0.020 1 147 33 33 THR C C 175.215 0.3 1 148 33 33 THR CA C 63.214 0.3 1 149 33 33 THR CB C 68.451 0.3 1 150 33 33 THR N N 115.597 0.3 1 151 34 34 LYS H H 8.313 0.020 1 152 34 34 LYS C C 176.998 0.3 1 153 34 34 LYS CA C 57.496 0.3 1 154 34 34 LYS CB C 31.297 0.3 1 155 34 34 LYS N N 123.096 0.3 1 156 35 35 GLU H H 8.278 0.020 1 157 35 35 GLU C C 177.836 0.3 1 158 35 35 GLU CA C 57.255 0.3 1 159 35 35 GLU CB C 28.848 0.3 1 160 35 35 GLU N N 120.040 0.3 1 161 36 36 GLY H H 8.318 0.020 1 162 36 36 GLY C C 174.350 0.3 1 163 36 36 GLY CA C 45.686 0.3 1 164 36 36 GLY N N 109.554 0.3 1 165 37 37 VAL H H 8.049 0.020 1 166 37 37 VAL C C 176.346 0.3 1 167 37 37 VAL CA C 63.454 0.3 1 168 37 37 VAL CB C 31.669 0.3 1 169 37 37 VAL N N 120.160 0.3 1 170 38 38 LEU H H 8.205 0.020 1 171 38 38 LEU C C 177.211 0.3 1 172 38 38 LEU CA C 55.652 0.3 1 173 38 38 LEU CB C 41.038 0.3 1 174 38 38 LEU N N 122.929 0.3 1 175 39 39 TYR H H 8.133 0.020 1 176 39 39 TYR C C 176.146 0.3 1 177 39 39 TYR CA C 58.752 0.3 1 178 39 39 TYR CB C 38.004 0.3 1 179 39 39 TYR N N 121.246 0.3 1 180 40 40 VAL H H 8.100 0.020 1 181 40 40 VAL C C 176.932 0.3 1 182 40 40 VAL CA C 63.000 0.3 1 183 40 40 VAL CB C 31.723 0.3 1 184 40 40 VAL N N 120.600 0.3 1 185 41 41 GLY H H 8.322 0.020 1 186 41 41 GLY C C 174.457 0.3 1 187 41 41 GLY CA C 45.633 0.3 1 188 41 41 GLY N N 111.092 0.3 1 189 42 42 SER H H 8.312 0.020 1 190 42 42 SER C C 175.774 0.3 1 191 42 42 SER CA C 59.874 0.3 1 192 42 42 SER CB C 62.649 0.3 1 193 42 42 SER N N 116.718 0.3 1 194 43 43 LYS H H 8.361 0.020 1 195 43 43 LYS C C 178.070 0.3 1 196 43 43 LYS CA C 56.774 0.3 1 197 43 43 LYS CB C 31.190 0.3 1 198 43 43 LYS N N 122.797 0.3 1 199 44 44 THR H H 8.116 0.020 1 200 44 44 THR C C 175.428 0.3 1 201 44 44 THR CA C 63.561 0.3 1 202 44 44 THR CB C 68.664 0.3 1 203 44 44 THR N N 115.197 0.3 1 204 45 45 LYS H H 8.362 0.020 1 205 45 45 LYS C C 177.464 0.3 1 206 45 45 LYS CA C 59.339 0.3 1 207 45 45 LYS CB C 30.978 0.3 1 208 45 45 LYS N N 122.281 0.3 1 209 46 46 GLU H H 8.334 0.020 1 210 46 46 GLU C C 178.595 0.3 1 211 46 46 GLU CA C 58.458 0.3 1 212 46 46 GLU CB C 28.529 0.3 1 213 46 46 GLU N N 118.319 0.3 1 214 47 47 GLY H H 8.189 0.020 1 215 47 47 GLY C C 176.240 0.3 1 216 47 47 GLY CA C 46.194 0.3 1 217 47 47 GLY N N 108.474 0.3 1 218 48 48 VAL H H 8.224 0.020 1 219 48 48 VAL C C 177.059 0.3 1 220 48 48 VAL CA C 65.592 0.3 1 221 48 48 VAL CB C 31.403 0.3 1 222 48 48 VAL N N 122.476 0.3 1 223 49 49 VAL H H 8.239 0.020 1 224 49 49 VAL C C 177.690 0.3 1 225 49 49 VAL CA C 66.019 0.3 1 226 49 49 VAL CB C 30.978 0.3 1 227 49 49 VAL N N 120.200 0.3 1 228 50 50 HIS H H 8.267 0.020 1 229 50 50 HIS C C 177.650 0.3 1 230 50 50 HIS CA C 57.977 0.3 1 231 50 50 HIS CB C 28.423 0.3 1 232 50 50 HIS N N 118.759 0.3 1 233 51 51 GLY H H 8.413 0.020 1 234 51 51 GLY C C 175.215 0.3 1 235 51 51 GLY CA C 46.648 0.3 1 236 51 51 GLY N N 109.634 0.3 1 237 52 52 VAL H H 8.474 0.020 1 238 52 52 VAL C C 176.945 0.3 1 239 52 52 VAL CA C 65.565 0.3 1 240 52 52 VAL CB C 30.871 0.3 1 241 52 52 VAL N N 121.400 0.3 1 242 53 53 ALA H H 8.155 0.020 1 243 53 53 ALA C C 179.992 0.3 1 244 53 53 ALA CA C 54.583 0.3 1 245 53 53 ALA CB C 17.244 0.3 1 246 53 53 ALA N N 122.441 0.3 1 247 54 54 THR H H 7.965 0.020 1 248 54 54 THR C C 176.319 0.3 1 249 54 54 THR CA C 64.950 0.3 1 250 54 54 THR CB C 68.291 0.3 1 251 54 54 THR N N 113.917 0.3 1 252 55 55 VAL H H 7.898 0.020 1 253 55 55 VAL C C 177.983 0.3 1 254 55 55 VAL CA C 65.057 0.3 1 255 55 55 VAL CB C 31.031 0.3 1 256 55 55 VAL N N 121.800 0.3 1 257 56 56 ALA H H 8.659 0.020 1 258 56 56 ALA C C 178.781 0.3 1 259 56 56 ALA CA C 54.530 0.3 1 260 56 56 ALA CB C 17.404 0.3 1 261 56 56 ALA N N 125.282 0.3 1 262 57 57 GLU H H 8.100 0.020 1 263 57 57 GLU CA C 58.778 0.3 1 264 57 57 GLU CB C 28.635 0.3 1 265 57 57 GLU N N 118.719 0.3 1 266 58 58 LYS H H 8.094 0.020 1 267 58 58 LYS C C 178.688 0.3 1 268 58 58 LYS CA C 57.709 0.3 1 269 58 58 LYS CB C 31.350 0.3 1 270 58 58 LYS N N 118.959 0.3 1 271 59 59 THR H H 8.044 0.020 1 272 59 59 THR C C 175.920 0.3 1 273 59 59 THR CA C 65.030 0.3 1 274 59 59 THR CB C 68.131 0.3 1 275 59 59 THR N N 114.837 0.3 1 276 60 60 LYS H H 8.060 0.020 1 277 60 60 LYS C C 178.329 0.3 1 278 60 60 LYS CA C 59.286 0.3 1 279 60 60 LYS CB C 31.084 0.3 1 280 60 60 LYS N N 121.800 0.3 1 281 61 61 GLU H H 8.021 0.020 1 282 61 61 GLU C C 177.876 0.3 1 283 61 61 GLU CA C 58.244 0.3 1 284 61 61 GLU CB C 28.689 0.3 1 285 61 61 GLU N N 119.079 0.3 1 286 62 62 GLN H H 7.926 0.020 1 287 62 62 GLN C C 177.823 0.3 1 288 62 62 GLN CA C 57.202 0.3 1 289 62 62 GLN CB C 28.210 0.3 1 290 62 62 GLN N N 118.159 0.3 1 291 63 63 VAL H H 8.189 0.020 1 292 63 63 VAL C C 177.011 0.3 1 293 63 63 VAL CA C 64.550 0.3 1 294 63 63 VAL CB C 31.031 0.3 1 295 63 63 VAL N N 118.679 0.3 1 296 64 64 THR H H 8.077 0.020 1 297 64 64 THR C C 175.654 0.3 1 298 64 64 THR CA C 64.229 0.3 1 299 64 64 THR CB C 68.451 0.3 1 300 64 64 THR N N 115.157 0.3 1 301 65 65 ASN H H 8.178 0.020 1 302 65 65 ASN C C 176.601 0.3 1 303 65 65 ASN CA C 54.263 0.3 1 304 65 65 ASN CB C 37.897 0.3 1 305 65 65 ASN N N 120.680 0.3 1 306 66 66 VAL H H 8.144 0.020 1 307 66 66 VAL C C 177.007 0.3 1 308 66 66 VAL CA C 63.695 0.3 1 309 66 66 VAL CB C 31.403 0.3 1 310 66 66 VAL N N 119.399 0.3 1 311 67 67 GLY H H 8.446 0.020 1 312 67 67 GLY C C 175.109 0.3 1 313 67 67 GLY CA C 46.381 0.3 1 314 67 67 GLY N N 109.674 0.3 1 315 68 68 GLY H H 8.312 0.020 1 316 68 68 GLY C C 175.468 0.3 1 317 68 68 GLY CA C 46.274 0.3 1 318 68 68 GLY N N 108.634 0.3 1 319 69 69 ALA H H 8.105 0.020 1 320 69 69 ALA C C 179.939 0.3 1 321 69 69 ALA CA C 53.866 0.3 1 322 69 69 ALA CB C 17.617 0.3 1 323 69 69 ALA N N 124.842 0.3 1 324 70 70 VAL H H 8.144 0.020 1 325 70 70 VAL CA C 65.378 0.3 1 326 70 70 VAL CB C 31.137 0.3 1 327 70 70 VAL N N 119.159 0.3 1 328 71 71 VAL H H 8.094 0.020 1 329 71 71 VAL C C 178.568 0.3 1 330 71 71 VAL CA C 66.046 0.3 1 331 71 71 VAL CB C 31.137 0.3 1 332 71 71 VAL N N 120.080 0.3 1 333 72 72 THR H H 8.301 0.020 1 334 72 72 THR C C 176.665 0.3 1 335 72 72 THR CA C 65.298 0.3 1 336 72 72 THR CB C 68.078 0.3 1 337 72 72 THR N N 117.438 0.3 1 338 73 73 GLY H H 8.278 0.020 1 339 73 73 GLY C C 175.242 0.3 1 340 73 73 GLY CA C 46.728 0.3 1 341 73 73 GLY N N 110.835 0.3 1 342 74 74 VAL H H 8.575 0.020 1 343 74 74 VAL C C 177.437 0.3 1 344 74 74 VAL CA C 65.752 0.3 1 345 74 74 VAL CB C 30.871 0.3 1 346 74 74 VAL N N 120.920 0.3 1 347 75 75 THR H H 8.145 0.020 1 348 75 75 THR C C 175.880 0.3 1 349 75 75 THR CA C 66.260 0.3 1 350 75 75 THR CB C 67.865 0.3 1 351 75 75 THR N N 115.589 0.3 1 352 76 76 ALA H H 7.837 0.020 1 353 76 76 ALA C C 180.537 0.3 1 354 76 76 ALA CA C 54.530 0.3 1 355 76 76 ALA CB C 17.298 0.3 1 356 76 76 ALA N N 123.761 0.3 1 357 77 77 VAL H H 7.820 0.020 1 358 77 77 VAL C C 178.395 0.3 1 359 77 77 VAL CA C 65.084 0.3 1 360 77 77 VAL CB C 31.190 0.3 1 361 77 77 VAL N N 117.959 0.3 1 362 78 78 ALA H H 8.519 0.020 1 363 78 78 ALA C C 178.728 0.3 1 364 78 78 ALA CA C 54.770 0.3 1 365 78 78 ALA CB C 17.404 0.3 1 366 78 78 ALA N N 124.922 0.3 1 367 79 79 GLN H H 8.245 0.020 1 368 79 79 GLN C C 177.889 0.3 1 369 79 79 GLN CA C 58.110 0.3 1 370 79 79 GLN CB C 27.358 0.3 1 371 79 79 GLN N N 116.958 0.3 1 372 80 80 LYS H H 7.926 0.020 1 373 80 80 LYS C C 178.608 0.3 1 374 80 80 LYS CA C 57.763 0.3 1 375 80 80 LYS CB C 31.297 0.3 1 376 80 80 LYS N N 119.119 0.3 1 377 81 81 THR H H 8.066 0.020 1 378 81 81 THR C C 175.774 0.3 1 379 81 81 THR CA C 65.164 0.3 1 380 81 81 THR CB C 68.078 0.3 1 381 81 81 THR N N 116.238 0.3 1 382 82 82 VAL H H 8.007 0.020 1 383 82 82 VAL C C 177.656 0.3 1 384 82 82 VAL CA C 64.710 0.3 1 385 82 82 VAL CB C 31.297 0.3 1 386 82 82 VAL N N 121.070 0.3 1 387 83 83 GLU H H 8.178 0.020 1 388 83 83 GLU C C 178.448 0.3 1 389 83 83 GLU CA C 57.897 0.3 1 390 83 83 GLU CB C 28.742 0.3 1 391 83 83 GLU N N 121.560 0.3 1 392 84 84 GLY H H 8.211 0.020 1 393 84 84 GLY C C 174.803 0.3 1 394 84 84 GLY CA C 45.713 0.3 1 395 84 84 GLY N N 108.634 0.3 1 396 85 85 ALA H H 8.239 0.020 1 397 85 85 ALA C C 178.648 0.3 1 398 85 85 ALA CA C 53.434 0.3 1 399 85 85 ALA CB C 17.883 0.3 1 400 85 85 ALA N N 124.002 0.3 1 401 86 86 GLY H H 8.413 0.020 1 402 86 86 GLY C C 175.268 0.3 1 403 86 86 GLY CA C 45.873 0.3 1 404 86 86 GLY N N 106.953 0.3 1 405 87 87 SER H H 8.066 0.020 1 406 87 87 SER C C 176.000 0.3 1 407 87 87 SER CA C 59.500 0.3 1 408 87 87 SER CB C 62.862 0.3 1 409 87 87 SER N N 116.718 0.3 1 410 88 88 ILE H H 8.312 0.020 1 411 88 88 ILE C C 177.756 0.3 1 412 88 88 ILE CA C 63.187 0.3 1 413 88 88 ILE CB C 36.620 0.3 1 414 88 88 ILE N N 123.201 0.3 1 415 89 89 ALA H H 8.435 0.020 1 416 89 89 ALA C C 179.353 0.3 1 417 89 89 ALA CA C 54.263 0.3 1 418 89 89 ALA CB C 17.244 0.3 1 419 89 89 ALA N N 124.522 0.3 1 420 90 90 ALA H H 8.044 0.020 1 421 90 90 ALA C C 179.473 0.3 1 422 90 90 ALA CA C 53.568 0.3 1 423 90 90 ALA CB C 17.457 0.3 1 424 90 90 ALA N N 120.560 0.3 1 425 91 91 ALA H H 7.977 0.020 1 426 91 91 ALA C C 178.502 0.3 1 427 91 91 ALA CA C 53.488 0.3 1 428 91 91 ALA CB C 18.043 0.3 1 429 91 91 ALA N N 121.040 0.3 1 430 92 92 THR H H 7.814 0.020 1 431 92 92 THR C C 175.441 0.3 1 432 92 92 THR CA C 62.706 0.3 1 433 92 92 THR CB C 69.302 0.3 1 434 92 92 THR N N 108.354 0.3 1 435 93 93 GLY H H 7.910 0.020 1 436 93 93 GLY C C 174.497 0.3 1 437 93 93 GLY CA C 45.445 0.3 1 438 93 93 GLY N N 108.994 0.3 1 439 94 94 PHE H H 7.932 0.020 1 440 94 94 PHE C C 175.455 0.3 1 441 94 94 PHE CA C 58.511 0.3 1 442 94 94 PHE CB C 38.483 0.3 1 443 94 94 PHE N N 120.120 0.3 1 444 95 95 VAL H H 7.636 0.020 1 445 95 95 VAL C C 175.335 0.3 1 446 95 95 VAL CA C 61.477 0.3 1 447 95 95 VAL CB C 32.468 0.3 1 448 95 95 VAL N N 119.359 0.3 1 449 96 96 LYS H H 8.267 0.020 1 450 96 96 LYS C C 176.652 0.3 1 451 96 96 LYS CA C 55.839 0.3 1 452 96 96 LYS CB C 31.723 0.3 1 453 96 96 LYS N N 124.842 0.3 1 454 97 97 LYS H H 8.429 0.020 1 455 97 97 LYS C C 176.625 0.3 1 456 97 97 LYS CA C 56.267 0.3 1 457 97 97 LYS CB C 31.723 0.3 1 458 97 97 LYS N N 123.481 0.3 1 459 98 98 ASP H H 8.396 0.020 1 460 98 98 ASP C C 176.359 0.3 1 461 98 98 ASP CA C 54.183 0.3 1 462 98 98 ASP CB C 40.239 0.3 1 463 98 98 ASP N N 121.360 0.3 1 464 99 99 GLN H H 8.318 0.020 1 465 99 99 GLN C C 176.280 0.3 1 466 99 99 GLN CA C 55.412 0.3 1 467 99 99 GLN CB C 28.263 0.3 1 468 99 99 GLN N N 120.800 0.3 1 469 100 100 LEU H H 8.211 0.020 1 470 100 100 LEU C C 178.089 0.3 1 471 100 100 LEU CA C 55.118 0.3 1 472 100 100 LEU CB C 41.091 0.3 1 473 100 100 LEU N N 123.041 0.3 1 474 101 101 GLY H H 8.413 0.020 1 475 101 101 GLY C C 174.151 0.3 1 476 101 101 GLY CA C 44.938 0.3 1 477 101 101 GLY N N 110.075 0.3 1 478 102 102 LYS H H 8.111 0.020 1 479 102 102 LYS C C 176.439 0.3 1 480 102 102 LYS CA C 55.786 0.3 1 481 102 102 LYS CB C 31.776 0.3 1 482 102 102 LYS N N 121.240 0.3 1 483 103 103 ASN H H 8.530 0.020 1 484 103 103 ASN C C 175.162 0.3 1 485 103 103 ASN CA C 52.980 0.3 1 486 103 103 ASN CB C 38.217 0.3 1 487 103 103 ASN N N 120.520 0.3 1 488 104 104 GLU H H 8.429 0.020 1 489 104 104 GLU C C 176.532 0.3 1 490 104 104 GLU CA C 56.106 0.3 1 491 104 104 GLU CB C 29.115 0.3 1 492 104 104 GLU N N 122.201 0.3 1 493 105 105 GLU H H 8.441 0.020 1 494 105 105 GLU C C 177.011 0.3 1 495 105 105 GLU CA C 56.347 0.3 1 496 105 105 GLU CB C 29.221 0.3 1 497 105 105 GLU N N 122.761 0.3 1 498 106 106 GLY H H 8.379 0.020 1 499 106 106 GLY C C 173.445 0.3 1 500 106 106 GLY CA C 44.537 0.3 1 501 106 106 GLY N N 110.635 0.3 1 502 107 107 ALA H H 8.128 0.020 1 503 107 107 ALA C C 175.654 0.3 1 504 107 107 ALA CA C 50.068 0.3 1 505 107 107 ALA CB C 17.032 0.3 1 506 107 107 ALA N N 125.562 0.3 1 507 109 109 GLN H H 8.530 0.020 1 508 109 109 GLN C C 176.000 0.3 1 509 109 109 GLN CA C 55.225 0.3 1 510 109 109 GLN CB C 28.529 0.3 1 511 109 109 GLN N N 121.640 0.3 1 512 110 110 GLU H H 8.474 0.020 1 513 110 110 GLU C C 176.852 0.3 1 514 110 110 GLU CA C 56.187 0.3 1 515 110 110 GLU CB C 29.274 0.3 1 516 110 110 GLU N N 123.121 0.3 1 517 111 111 GLY H H 8.429 0.020 1 518 111 111 GLY C C 173.738 0.3 1 519 111 111 GLY CA C 44.804 0.3 1 520 111 111 GLY N N 110.715 0.3 1 521 112 112 ILE H H 7.965 0.020 1 522 112 112 ILE C C 176.213 0.3 1 523 112 112 ILE CA C 60.462 0.3 1 524 112 112 ILE CB C 37.631 0.3 1 525 112 112 ILE N N 120.840 0.3 1 526 113 113 LEU H H 8.357 0.020 1 527 113 113 LEU C C 177.065 0.3 1 528 113 113 LEU CA C 54.530 0.3 1 529 113 113 LEU CB C 41.197 0.3 1 530 113 113 LEU N N 127.523 0.3 1 531 114 114 GLU H H 8.373 0.020 1 532 114 114 GLU C C 175.854 0.3 1 533 114 114 GLU CA C 55.973 0.3 1 534 114 114 GLU CB C 29.540 0.3 1 535 114 114 GLU N N 122.921 0.3 1 536 115 115 ASP H H 8.318 0.020 1 537 115 115 ASP C C 175.774 0.3 1 538 115 115 ASP CA C 53.889 0.3 1 539 115 115 ASP CB C 40.452 0.3 1 540 115 115 ASP N N 122.081 0.3 1 541 116 116 MET H H 8.234 0.020 1 542 116 116 MET C C 174.084 0.3 1 543 116 116 MET CA C 52.820 0.3 1 544 116 116 MET CB C 31.457 0.3 1 545 116 116 MET N N 122.601 0.3 1 546 118 118 VAL H H 8.234 0.020 1 547 118 118 VAL C C 175.774 0.3 1 548 118 118 VAL CA C 61.477 0.3 1 549 118 118 VAL CB C 32.361 0.3 1 550 118 118 VAL N N 121.200 0.3 1 551 119 119 ASP H H 8.457 0.020 1 552 119 119 ASP C C 174.670 0.3 1 553 119 119 ASP CA C 51.805 0.3 1 554 119 119 ASP CB C 40.239 0.3 1 555 119 119 ASP N N 126.403 0.3 1 556 121 121 ASP H H 8.340 0.020 1 557 121 121 ASP C C 176.186 0.3 1 558 121 121 ASP CA C 54.183 0.3 1 559 121 121 ASP CB C 40.186 0.3 1 560 121 121 ASP N N 119.960 0.3 1 561 122 122 ASN H H 8.111 0.020 1 562 122 122 ASN C C 175.335 0.3 1 563 122 122 ASN CA C 53.141 0.3 1 564 122 122 ASN CB C 38.483 0.3 1 565 122 122 ASN N N 119.599 0.3 1 566 123 123 GLU H H 8.329 0.020 1 567 123 123 GLU C C 176.013 0.3 1 568 123 123 GLU CA C 56.374 0.3 1 569 123 123 GLU CB C 29.115 0.3 1 570 123 123 GLU N N 122.201 0.3 1 571 124 124 ALA H H 8.167 0.020 1 572 124 124 ALA C C 177.144 0.3 1 573 124 124 ALA CA C 51.831 0.3 1 574 124 124 ALA CB C 18.043 0.3 1 575 124 124 ALA N N 125.002 0.3 1 576 125 125 TYR H H 7.993 0.020 1 577 125 125 TYR C C 175.322 0.3 1 578 125 125 TYR CA C 57.255 0.3 1 579 125 125 TYR CB C 38.004 0.3 1 580 125 125 TYR N N 120.560 0.3 1 581 126 126 GLU H H 8.116 0.020 1 582 126 126 GLU C C 175.441 0.3 1 583 126 126 GLU CA C 55.251 0.3 1 584 126 126 GLU CB C 29.594 0.3 1 585 126 126 GLU N N 124.242 0.3 1 586 127 127 MET H H 8.373 0.020 1 587 127 127 MET C C 174.230 0.3 1 588 127 127 MET CA C 52.873 0.3 1 589 127 127 MET CB C 31.350 0.3 1 590 127 127 MET N N 124.362 0.3 1 591 129 129 SER H H 8.429 0.020 1 592 129 129 SER C C 174.776 0.3 1 593 129 129 SER CA C 57.790 0.3 1 594 129 129 SER CB C 63.075 0.3 1 595 129 129 SER N N 117.198 0.3 1 596 130 130 GLU H H 8.519 0.020 1 597 130 130 GLU C C 176.492 0.3 1 598 130 130 GLU CA C 56.080 0.3 1 599 130 130 GLU CB C 29.115 0.3 1 600 130 130 GLU N N 123.721 0.3 1 601 131 131 GLU H H 8.429 0.020 1 602 131 131 GLU C C 176.971 0.3 1 603 131 131 GLU CA C 56.347 0.3 1 604 131 131 GLU CB C 29.115 0.3 1 605 131 131 GLU N N 122.561 0.3 1 606 132 132 GLY H H 8.351 0.020 1 607 132 132 GLY C C 173.791 0.3 1 608 132 132 GLY CA C 44.724 0.3 1 609 132 132 GLY N N 110.395 0.3 1 610 133 133 TYR H H 8.027 0.020 1 611 133 133 TYR C C 175.654 0.3 1 612 133 133 TYR CA C 57.656 0.3 1 613 133 133 TYR CB C 37.791 0.3 1 614 133 133 TYR N N 120.880 0.3 1 615 134 134 GLN H H 8.172 0.020 1 616 134 134 GLN C C 174.843 0.3 1 617 134 134 GLN CA C 54.957 0.3 1 618 134 134 GLN CB C 28.795 0.3 1 619 134 134 GLN N N 123.241 0.3 1 620 135 135 ASP H H 8.189 0.020 1 621 135 135 ASP C C 175.455 0.3 1 622 135 135 ASP CA C 53.889 0.3 1 623 135 135 ASP CB C 40.399 0.3 1 624 135 135 ASP N N 122.201 0.3 1 625 136 136 TYR H H 7.993 0.020 1 626 136 136 TYR C C 175.016 0.3 1 627 136 136 TYR CA C 57.095 0.3 1 628 136 136 TYR CB C 38.163 0.3 1 629 136 136 TYR N N 120.960 0.3 1 630 137 137 GLU H H 8.217 0.020 1 631 137 137 GLU C C 173.778 0.3 1 632 137 137 GLU CA C 53.247 0.3 1 633 137 137 GLU CB C 29.115 0.3 1 634 137 137 GLU N N 125.882 0.3 1 635 139 139 GLU H H 8.457 0.020 1 636 139 139 GLU C C 175.361 0.3 1 637 139 139 GLU CA C 56.187 0.3 1 638 139 139 GLU CB C 29.168 0.3 1 639 139 139 GLU N N 122.001 0.3 1 640 140 140 ALA H H 7.932 0.020 1 641 140 140 ALA C C 182.546 0.3 1 642 140 140 ALA CA C 53.328 0.3 1 643 140 140 ALA CB C 19.107 0.3 1 644 140 140 ALA N N 131.285 0.3 1 stop_ save_