data_16300 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; intrinsically unfolded alpha-synuclein ; _BMRB_accession_number 16300 _BMRB_flat_file_name bmr16300.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" 130 "13C chemical shifts" 366 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-29 update BMRB 'Update related entries' 2009-06-24 update BMRB 'complete entry citation' 2009-06-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16301 'free SaS' 16302 aS-SLAS 16303 SaS-SLAS 16304 bS-SLAS 16342 aSyn-pH3 16547 'aSyn E46K-pH6' 16904 aSyn 6968 aSyn-protonless 7244 gSyn 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 alpha-synuclein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label alpha-synuclein $alpha-synuclein stop_ _System_molecular_weight . _System_physical_state unfolded _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 16302 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 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'HEPES NaCl' 25 mM 'natural abundance' NaCl 50 mM 'natural abundance' 'NaN3 solution' 0.02 % '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_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM HEPES NaCl, pH 7.4, 50 mM NaCl, 0.02% NaN3 solution' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.075 . M pH 7.4 . pH pressure 1 . atm temperature 288.2 . 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 4.868 internal indirect . . . 0.25144954 water H 1 protons ppm 4.868 internal direct . . . 1 water N 15 protons ppm 4.868 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 HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' 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 alpha-synuclein _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 8.236 0.020 1 2 3 3 VAL C C 176.026 0.3 1 3 3 3 VAL CA C 62.157 0.3 1 4 3 3 VAL CB C 31.469 0.3 1 5 3 3 VAL N N 120.839 0.3 1 6 4 4 PHE H H 8.342 0.020 1 7 4 4 PHE C C 175.906 0.3 1 8 4 4 PHE CA C 57.641 0.3 1 9 4 4 PHE CB C 38.549 0.3 1 10 4 4 PHE N N 123.864 0.3 1 11 5 5 MET H H 8.230 0.020 1 12 5 5 MET C C 176.026 0.3 1 13 5 5 MET CA C 55.023 0.3 1 14 5 5 MET CB C 31.469 0.3 1 15 5 5 MET N N 122.745 0.3 1 16 6 6 LYS H H 8.282 0.020 1 17 6 6 LYS C C 177.223 0.3 1 18 6 6 LYS CA C 56.519 0.3 1 19 6 6 LYS CB C 31.682 0.3 1 20 6 6 LYS N N 123.066 0.3 1 21 7 7 GLY H H 8.409 0.020 1 22 7 7 GLY C C 174.130 0.3 1 23 7 7 GLY CA C 44.843 0.3 1 24 7 7 GLY N N 110.321 0.3 1 25 8 8 LEU H H 8.074 0.020 1 26 8 8 LEU C C 177.676 0.3 1 27 8 8 LEU CA C 54.756 0.3 1 28 8 8 LEU CB C 41.210 0.3 1 29 8 8 LEU N N 122.165 0.3 1 30 9 9 SER H H 8.337 0.020 1 31 9 9 SER C C 174.562 0.3 1 32 9 9 SER CA C 58.069 0.3 1 33 9 9 SER CB C 63.353 0.3 1 34 9 9 SER N N 117.300 0.3 1 35 10 10 LYS H H 8.461 0.020 1 36 10 10 LYS C C 176.558 0.3 1 37 10 10 LYS CA C 56.092 0.3 1 38 10 10 LYS CB C 31.469 0.3 1 39 10 10 LYS N N 124.343 0.3 1 40 11 11 ALA H H 8.322 0.020 1 41 11 11 ALA C C 177.942 0.3 1 42 11 11 ALA CA C 52.218 0.3 1 43 11 11 ALA CB C 18.109 0.3 1 44 11 11 ALA N N 125.811 0.3 1 45 12 12 LYS H H 8.361 0.020 1 46 12 12 LYS C C 176.748 0.3 1 47 12 12 LYS CA C 56.012 0.3 1 48 12 12 LYS CB C 31.842 0.3 1 49 12 12 LYS N N 121.458 0.3 1 50 13 13 GLU H H 8.453 0.020 1 51 13 13 GLU C C 177.117 0.3 1 52 13 13 GLU CA C 56.306 0.3 1 53 13 13 GLU N N 122.699 0.3 1 54 14 14 GLY H H 8.461 0.020 1 55 14 14 GLY C C 173.950 0.3 1 56 14 14 GLY CA C 44.816 0.3 1 57 14 14 GLY N N 110.547 0.3 1 58 15 15 VAL H H 8.001 0.020 1 59 15 15 VAL C C 176.545 0.3 1 60 15 15 VAL CA C 62.184 0.3 1 61 15 15 VAL CB C 31.576 0.3 1 62 15 15 VAL N N 120.839 0.3 1 63 16 16 VAL H H 8.307 0.020 1 64 16 16 VAL C C 176.026 0.3 1 65 16 16 VAL CA C 61.997 0.3 1 66 16 16 VAL CB C 31.629 0.3 1 67 16 16 VAL N N 125.803 0.3 1 68 17 17 ALA H H 8.465 0.020 1 69 17 17 ALA C C 177.742 0.3 1 70 17 17 ALA CA C 52.111 0.3 1 71 17 17 ALA CB C 18.162 0.3 1 72 17 17 ALA N N 128.876 0.3 1 73 18 18 ALA H H 8.331 0.020 1 74 18 18 ALA C C 177.919 0.3 1 75 18 18 ALA CA C 52.244 0.3 1 76 18 18 ALA CB C 18.109 0.3 1 77 18 18 ALA N N 124.154 0.3 1 78 19 19 ALA H H 8.292 0.020 1 79 19 19 ALA C C 178.235 0.3 1 80 19 19 ALA CA C 52.298 0.3 1 81 19 19 ALA CB C 18.109 0.3 1 82 19 19 ALA N N 123.615 0.3 1 83 20 20 GLU H H 8.347 0.020 1 84 20 20 GLU C C 176.993 0.3 1 85 20 20 GLU CA C 56.332 0.3 1 86 20 20 GLU CB C 29.180 0.3 1 87 20 20 GLU N N 120.715 0.3 1 88 21 21 LYS H H 8.359 0.020 1 89 21 21 LYS C C 177.197 0.3 1 90 21 21 LYS CA C 56.306 0.3 1 91 21 21 LYS CB C 31.788 0.3 1 92 21 21 LYS N N 122.869 0.3 1 93 22 22 THR H H 8.157 0.020 1 94 22 22 THR C C 174.695 0.3 1 95 22 22 THR CA C 61.917 0.3 1 96 22 22 THR CB C 69.208 0.3 1 97 22 22 THR N N 115.909 0.3 1 98 23 23 LYS H H 8.370 0.020 1 99 23 23 LYS C C 176.759 0.3 1 100 23 23 LYS CA C 56.252 0.3 1 101 23 23 LYS CB C 31.842 0.3 1 102 23 23 LYS N N 124.319 0.3 1 103 24 24 GLN H H 8.449 0.020 1 104 24 24 GLN C C 176.616 0.3 1 105 24 24 GLN CA C 55.771 0.3 1 106 24 24 GLN CB C 28.488 0.3 1 107 24 24 GLN N N 122.258 0.3 1 108 25 25 GLY H H 8.499 0.020 1 109 25 25 GLY C C 174.230 0.3 1 110 25 25 GLY CA C 44.843 0.3 1 111 25 25 GLY N N 111.100 0.3 1 112 26 26 VAL H H 8.040 0.020 1 113 26 26 VAL C C 176.461 0.3 1 114 26 26 VAL CA C 62.157 0.3 1 115 26 26 VAL CB C 31.599 0.3 1 116 26 26 VAL N N 120.466 0.3 1 117 27 27 ALA H H 8.440 0.020 1 118 27 27 ALA C C 178.208 0.3 1 119 27 27 ALA CA C 52.378 0.3 1 120 27 27 ALA CB C 18.162 0.3 1 121 27 27 ALA N N 127.811 0.3 1 122 28 28 GLU H H 8.420 0.020 1 123 28 28 GLU C C 176.695 0.3 1 124 28 28 GLU CA C 56.386 0.3 1 125 28 28 GLU CB C 29.180 0.3 1 126 28 28 GLU N N 121.129 0.3 1 127 29 29 ALA H H 8.325 0.020 1 128 29 29 ALA C C 177.792 0.3 1 129 29 29 ALA CA C 52.244 0.3 1 130 29 29 ALA CB C 18.162 0.3 1 131 29 29 ALA N N 125.438 0.3 1 132 30 30 ALA H H 8.256 0.020 1 133 30 30 ALA C C 178.527 0.3 1 134 30 30 ALA CA C 52.378 0.3 1 135 30 30 ALA CB C 18.109 0.3 1 136 30 30 ALA N N 123.542 0.3 1 137 31 31 GLY H H 8.325 0.020 1 138 31 31 GLY C C 174.230 0.3 1 139 31 31 GLY CA C 44.870 0.3 1 140 31 31 GLY N N 108.328 0.3 1 141 32 32 LYS H H 8.124 0.020 1 142 32 32 LYS C C 177.024 0.3 1 143 32 32 LYS CA C 55.825 0.3 1 144 32 32 LYS CB C 31.895 0.3 1 145 32 32 LYS N N 121.336 0.3 1 146 33 33 THR H H 8.252 0.020 1 147 33 33 THR C C 174.656 0.3 1 148 33 33 THR CA C 61.542 0.3 1 149 33 33 THR CB C 69.208 0.3 1 150 33 33 THR N N 116.282 0.3 1 151 34 34 LYS H H 8.487 0.020 1 152 34 34 LYS C C 176.438 0.3 1 153 34 34 LYS CA C 56.012 0.3 1 154 34 34 LYS CB C 31.948 0.3 1 155 34 34 LYS N N 124.393 0.3 1 156 35 35 GLU H H 8.471 0.020 1 157 35 35 GLU C C 176.984 0.3 1 158 35 35 GLU CA C 56.332 0.3 1 159 35 35 GLU N N 122.722 0.3 1 160 36 36 GLY H H 8.477 0.020 1 161 36 36 GLY C C 174.030 0.3 1 162 36 36 GLY CA C 44.816 0.3 1 163 36 36 GLY N N 110.641 0.3 1 164 37 37 VAL H H 7.934 0.020 1 165 37 37 VAL C C 175.950 0.3 1 166 37 37 VAL CA C 61.863 0.3 1 167 37 37 VAL CB C 31.682 0.3 1 168 37 37 VAL N N 120.259 0.3 1 169 38 38 LEU H H 8.303 0.020 1 170 38 38 LEU C C 176.678 0.3 1 171 38 38 LEU CA C 54.542 0.3 1 172 38 38 LEU CB C 41.263 0.3 1 173 38 38 LEU N N 126.391 0.3 1 174 39 39 TYR H H 8.303 0.020 1 175 39 39 TYR C C 175.560 0.3 1 176 39 39 TYR CA C 57.481 0.3 1 177 39 39 TYR CB C 38.070 0.3 1 178 39 39 TYR N N 123.076 0.3 1 179 40 40 VAL H H 8.107 0.020 1 180 40 40 VAL C C 176.172 0.3 1 181 40 40 VAL CA C 61.729 0.3 1 182 40 40 VAL CB C 31.842 0.3 1 183 40 40 VAL N N 124.029 0.3 1 184 41 41 GLY H H 8.040 0.020 1 185 41 41 GLY C C 173.937 0.3 1 186 41 41 GLY CA C 44.683 0.3 1 187 41 41 GLY N N 112.595 0.3 1 188 44 44 THR H H 8.208 0.020 1 189 44 44 THR C C 174.616 0.3 1 190 44 44 THR CA C 61.489 0.3 1 191 44 44 THR CB C 69.208 0.3 1 192 44 44 THR N N 116.158 0.3 1 193 45 45 LYS H H 8.398 0.020 1 194 45 45 LYS C C 176.718 0.3 1 195 45 45 LYS CA C 56.279 0.3 1 196 45 45 LYS CB C 31.948 0.3 1 197 45 45 LYS N N 124.246 0.3 1 198 46 46 GLU H H 8.454 0.020 1 199 46 46 GLU C C 177.117 0.3 1 200 46 46 GLU CA C 56.306 0.3 1 201 46 46 GLU N N 122.774 0.3 1 202 47 47 GLY H H 8.454 0.020 1 203 47 47 GLY C C 173.897 0.3 1 204 47 47 GLY CA C 44.790 0.3 1 205 47 47 GLY N N 110.595 0.3 1 206 48 48 VAL H H 7.934 0.020 1 207 48 48 VAL C C 176.013 0.3 1 208 48 48 VAL CA C 61.810 0.3 1 209 48 48 VAL CB C 31.682 0.3 1 210 48 48 VAL N N 120.674 0.3 1 211 49 49 VAL H H 8.325 0.020 1 212 49 49 VAL C C 175.906 0.3 1 213 49 49 VAL CA C 61.703 0.3 1 214 49 49 VAL CB C 31.629 0.3 1 215 49 49 VAL N N 125.728 0.3 1 216 50 50 HIS H H 8.487 0.020 1 217 50 50 HIS C C 175.897 0.3 1 218 50 50 HIS CA C 56.038 0.3 1 219 50 50 HIS CB C 30.351 0.3 1 220 50 50 HIS N N 125.438 0.3 1 221 51 51 GLY H H 8.407 0.020 1 222 51 51 GLY C C 173.777 0.3 1 223 51 51 GLY CA C 44.736 0.3 1 224 51 51 GLY N N 111.127 0.3 1 225 52 52 VAL H H 8.046 0.020 1 226 52 52 VAL C C 175.961 0.3 1 227 52 52 VAL CA C 61.569 0.3 1 228 52 52 VAL CB C 31.842 0.3 1 229 52 52 VAL N N 120.259 0.3 1 230 53 53 ALA H H 8.504 0.020 1 231 53 53 ALA C C 177.862 0.3 1 232 53 53 ALA CA C 52.004 0.3 1 233 53 53 ALA CB C 18.109 0.3 1 234 53 53 ALA N N 128.628 0.3 1 235 54 54 THR H H 8.247 0.020 1 236 54 54 THR C C 174.562 0.3 1 237 54 54 THR CA C 61.462 0.3 1 238 54 54 THR CB C 69.262 0.3 1 239 54 54 THR N N 115.495 0.3 1 240 55 55 VAL H H 8.264 0.020 1 241 55 55 VAL C C 175.893 0.3 1 242 55 55 VAL CA C 61.810 0.3 1 243 55 55 VAL CB C 31.788 0.3 1 244 55 55 VAL N N 123.698 0.3 1 245 56 56 ALA H H 8.437 0.020 1 246 56 56 ALA C C 177.742 0.3 1 247 56 56 ALA CA C 52.057 0.3 1 248 56 56 ALA CB C 18.162 0.3 1 249 56 56 ALA N N 128.545 0.3 1 250 57 57 GLU H H 8.398 0.020 1 251 57 57 GLU C C 176.748 0.3 1 252 57 57 GLU CA C 56.145 0.3 1 253 57 57 GLU CB C 29.234 0.3 1 254 57 57 GLU N N 121.461 0.3 1 255 58 58 LYS H H 8.459 0.020 1 256 58 58 LYS C C 176.997 0.3 1 257 58 58 LYS CA C 56.038 0.3 1 258 58 58 LYS CB C 31.895 0.3 1 259 58 58 LYS N N 123.449 0.3 1 260 59 59 THR H H 8.241 0.020 1 261 59 59 THR C C 174.682 0.3 1 262 59 59 THR CA C 61.756 0.3 1 263 59 59 THR CB C 69.208 0.3 1 264 59 59 THR N N 116.614 0.3 1 265 60 60 LYS H H 8.409 0.020 1 266 60 60 LYS C C 176.718 0.3 1 267 60 60 LYS CA C 56.199 0.3 1 268 60 60 LYS CB C 31.842 0.3 1 269 60 60 LYS N N 124.236 0.3 1 270 61 61 GLU H H 8.471 0.020 1 271 61 61 GLU C C 176.997 0.3 1 272 61 61 GLU CA C 56.306 0.3 1 273 61 61 GLU CB C 29.180 0.3 1 274 61 61 GLU N N 122.568 0.3 1 275 62 62 GLN H H 8.454 0.020 1 276 62 62 GLN C C 175.999 0.3 1 277 62 62 GLN CA C 55.317 0.3 1 278 62 62 GLN CB C 28.648 0.3 1 279 62 62 GLN N N 122.372 0.3 1 280 63 63 VAL H H 8.308 0.020 1 281 63 63 VAL C C 176.399 0.3 1 282 63 63 VAL CA C 61.917 0.3 1 283 63 63 VAL CB C 31.469 0.3 1 284 63 63 VAL N N 122.579 0.3 1 285 64 64 THR H H 8.329 0.020 1 286 64 64 THR C C 174.057 0.3 1 287 64 64 THR CA C 61.409 0.3 1 288 64 64 THR CB C 69.155 0.3 1 289 64 64 THR N N 118.727 0.3 1 290 66 66 VAL H H 8.275 0.020 1 291 66 66 VAL C C 176.904 0.3 1 292 66 66 VAL CA C 62.237 0.3 1 293 66 66 VAL CB C 31.469 0.3 1 294 66 66 VAL N N 121.419 0.3 1 295 67 67 GLY H H 8.565 0.020 1 296 67 67 GLY C C 174.682 0.3 1 297 67 67 GLY CA C 44.870 0.3 1 298 67 67 GLY N N 113.134 0.3 1 299 68 68 GLY H H 8.247 0.020 1 300 68 68 GLY C C 173.737 0.3 1 301 68 68 GLY CA C 44.629 0.3 1 302 68 68 GLY N N 109.446 0.3 1 303 69 69 ALA H H 8.185 0.020 1 304 69 69 ALA C C 177.675 0.3 1 305 69 69 ALA CA C 51.870 0.3 1 306 69 69 ALA CB C 18.268 0.3 1 307 69 69 ALA N N 124.361 0.3 1 308 70 70 VAL H H 8.241 0.020 1 309 70 70 VAL C C 176.372 0.3 1 310 70 70 VAL CA C 61.917 0.3 1 311 70 70 VAL CB C 31.629 0.3 1 312 70 70 VAL N N 121.129 0.3 1 313 71 71 VAL H H 8.415 0.020 1 314 71 71 VAL C C 176.332 0.3 1 315 71 71 VAL CA C 61.676 0.3 1 316 71 71 VAL CB C 31.735 0.3 1 317 71 71 VAL N N 126.018 0.3 1 318 72 72 THR H H 8.336 0.020 1 319 72 72 THR C C 174.918 0.3 1 320 72 72 THR CA C 61.489 0.3 1 321 72 72 THR CB C 69.262 0.3 1 322 72 72 THR N N 119.265 0.3 1 323 73 73 GLY H H 8.448 0.020 1 324 73 73 GLY C C 174.013 0.3 1 325 73 73 GLY CA C 44.736 0.3 1 326 73 73 GLY N N 111.891 0.3 1 327 74 74 VAL H H 8.107 0.020 1 328 74 74 VAL C C 176.568 0.3 1 329 74 74 VAL CA C 61.890 0.3 1 330 74 74 VAL CB C 31.895 0.3 1 331 74 74 VAL N N 120.218 0.3 1 332 75 75 THR H H 8.325 0.020 1 333 75 75 THR C C 174.119 0.3 1 334 75 75 THR CA C 61.569 0.3 1 335 75 75 THR CB C 69.208 0.3 1 336 75 75 THR N N 119.596 0.3 1 337 76 76 ALA H H 8.392 0.020 1 338 76 76 ALA C C 177.569 0.3 1 339 76 76 ALA CA C 51.977 0.3 1 340 76 76 ALA CB C 18.162 0.3 1 341 76 76 ALA N N 127.924 0.3 1 342 77 77 VAL H H 8.174 0.020 1 343 77 77 VAL C C 176.026 0.3 1 344 77 77 VAL CA C 61.756 0.3 1 345 77 77 VAL CB C 31.842 0.3 1 346 77 77 VAL N N 120.756 0.3 1 347 78 78 ALA H H 8.431 0.020 1 348 78 78 ALA C C 177.716 0.3 1 349 78 78 ALA CA C 52.030 0.3 1 350 78 78 ALA CB C 18.162 0.3 1 351 78 78 ALA N N 128.628 0.3 1 352 79 79 GLN H H 8.418 0.020 1 353 79 79 GLN C C 175.939 0.3 1 354 79 79 GLN CA C 55.237 0.3 1 355 79 79 GLN CB C 28.435 0.3 1 356 79 79 GLN N N 120.923 0.3 1 357 80 80 LYS H H 8.459 0.020 1 358 80 80 LYS C C 176.705 0.3 1 359 80 80 LYS CA C 55.905 0.3 1 360 80 80 LYS CB C 31.895 0.3 1 361 80 80 LYS N N 123.905 0.3 1 362 81 81 THR H H 8.320 0.020 1 363 81 81 THR C C 174.443 0.3 1 364 81 81 THR CA C 61.489 0.3 1 365 81 81 THR CB C 69.208 0.3 1 366 81 81 THR N N 117.608 0.3 1 367 82 82 VAL H H 8.331 0.020 1 368 82 82 VAL C C 176.159 0.3 1 369 82 82 VAL CA C 61.783 0.3 1 370 82 82 VAL CB C 31.788 0.3 1 371 82 82 VAL N N 123.656 0.3 1 372 83 83 GLU H H 8.593 0.020 1 373 83 83 GLU C C 177.077 0.3 1 374 83 83 GLU CA C 56.359 0.3 1 375 83 83 GLU CB C 29.234 0.3 1 376 83 83 GLU N N 125.852 0.3 1 377 84 84 GLY H H 8.538 0.020 1 378 84 84 GLY C C 174.137 0.3 1 379 84 84 GLY CA C 44.816 0.3 1 380 84 84 GLY N N 111.269 0.3 1 381 85 85 ALA H H 8.280 0.020 1 382 85 85 ALA C C 178.526 0.3 1 383 85 85 ALA CA C 52.405 0.3 1 384 85 85 ALA CB C 18.162 0.3 1 385 85 85 ALA N N 124.526 0.3 1 386 86 86 GLY H H 8.504 0.020 1 387 86 86 GLY C C 174.296 0.3 1 388 86 86 GLY CA C 44.790 0.3 1 389 86 86 GLY N N 108.742 0.3 1 390 87 87 SER H H 8.174 0.020 1 391 87 87 SER C C 174.695 0.3 1 392 87 87 SER CA C 58.016 0.3 1 393 87 87 SER CB C 63.460 0.3 1 394 87 87 SER N N 116.365 0.3 1 395 88 88 ILE H H 8.218 0.020 1 396 88 88 ILE C C 176.333 0.3 1 397 88 88 ILE CA C 60.874 0.3 1 398 88 88 ILE CB C 37.644 0.3 1 399 88 88 ILE N N 123.445 0.3 1 400 89 89 ALA H H 8.370 0.020 1 401 89 89 ALA C C 177.583 0.3 1 402 89 89 ALA CA C 52.137 0.3 1 403 89 89 ALA CB C 18.162 0.3 1 404 89 89 ALA N N 128.545 0.3 1 405 90 90 ALA H H 8.236 0.020 1 406 90 90 ALA C C 177.738 0.3 1 407 90 90 ALA CA C 52.004 0.3 1 408 90 90 ALA CB C 18.162 0.3 1 409 90 90 ALA N N 123.864 0.3 1 410 91 91 ALA H H 8.314 0.020 1 411 91 91 ALA C C 178.164 0.3 1 412 91 91 ALA CA C 52.164 0.3 1 413 91 91 ALA CB C 18.162 0.3 1 414 91 91 ALA N N 123.946 0.3 1 415 92 92 THR H H 8.124 0.020 1 416 92 92 THR C C 175.201 0.3 1 417 92 92 THR CA C 61.569 0.3 1 418 92 92 THR CB C 69.208 0.3 1 419 92 92 THR N N 113.299 0.3 1 420 93 93 GLY H H 8.320 0.020 1 421 93 93 GLY C C 173.618 0.3 1 422 93 93 GLY CA C 44.709 0.3 1 423 93 93 GLY N N 111.228 0.3 1 424 94 94 PHE H H 8.123 0.020 1 425 94 94 PHE C C 175.534 0.3 1 426 94 94 PHE CA C 57.454 0.3 1 427 94 94 PHE CB C 38.815 0.3 1 428 94 94 PHE N N 120.999 0.3 1 429 95 95 VAL H H 8.079 0.020 1 430 95 95 VAL C C 175.441 0.3 1 431 95 95 VAL CA C 61.489 0.3 1 432 95 95 VAL CB C 31.895 0.3 1 433 95 95 VAL N N 124.444 0.3 1 434 96 96 LYS H H 8.415 0.020 1 435 96 96 LYS C C 176.465 0.3 1 436 96 96 LYS CA C 55.931 0.3 1 437 96 96 LYS CB C 31.895 0.3 1 438 96 96 LYS N N 126.971 0.3 1 439 97 97 LYS H H 8.499 0.020 1 440 97 97 LYS CA C 56.012 0.3 1 441 97 97 LYS CB C 31.948 0.3 1 442 97 97 LYS N N 124.408 0.3 1 443 98 98 ASP H H 8.426 0.020 1 444 98 98 ASP C C 176.226 0.3 1 445 98 98 ASP CA C 54.061 0.3 1 446 98 98 ASP CB C 40.358 0.3 1 447 98 98 ASP N N 121.792 0.3 1 448 99 99 GLN H H 8.375 0.020 1 449 99 99 GLN C C 176.014 0.3 1 450 99 99 GLN CA C 55.370 0.3 1 451 99 99 GLN CB C 28.382 0.3 1 452 99 99 GLN N N 120.798 0.3 1 453 100 100 LEU H H 8.330 0.020 1 454 100 100 LEU C C 178.008 0.3 1 455 100 100 LEU CA C 54.970 0.3 1 456 100 100 LEU CB C 40.944 0.3 1 457 100 100 LEU N N 123.452 0.3 1 458 101 101 GLY H H 8.493 0.020 1 459 101 101 GLY C C 174.030 0.3 1 460 101 101 GLY CA C 44.816 0.3 1 461 101 101 GLY N N 110.358 0.3 1 462 102 102 LYS H H 8.230 0.020 1 463 102 102 LYS C C 176.452 0.3 1 464 102 102 LYS CA C 55.771 0.3 1 465 102 102 LYS N N 121.419 0.3 1 466 103 103 ASN H H 8.644 0.020 1 467 103 103 ASN C C 175.294 0.3 1 468 103 103 ASN CA C 52.992 0.3 1 469 103 103 ASN CB C 38.070 0.3 1 470 103 103 ASN N N 120.549 0.3 1 471 104 104 GLU H H 8.504 0.020 1 472 104 104 GLU C C 176.572 0.3 1 473 104 104 GLU CA C 56.225 0.3 1 474 104 104 GLU CB C 29.180 0.3 1 475 104 104 GLU N N 121.958 0.3 1 476 105 105 GLU H H 8.493 0.020 1 477 105 105 GLU C C 177.024 0.3 1 478 105 105 GLU CA C 56.412 0.3 1 479 105 105 GLU CB C 29.180 0.3 1 480 105 105 GLU N N 122.414 0.3 1 481 106 106 GLY H H 8.454 0.020 1 482 106 106 GLY CA C 44.549 0.3 1 483 106 106 GLY N N 110.814 0.3 1 484 107 107 ALA H H 8.141 0.020 1 485 107 107 ALA C C 175.600 0.3 1 486 107 107 ALA CA C 50.053 0.3 1 487 107 107 ALA CB C 17.257 0.3 1 488 107 107 ALA N N 125.521 0.3 1 489 109 109 GLN H H 8.610 0.020 1 490 109 109 GLN C C 175.999 0.3 1 491 109 109 GLN CA C 55.237 0.3 1 492 109 109 GLN CB C 28.808 0.3 1 493 109 109 GLN N N 121.751 0.3 1 494 110 110 GLU H H 8.549 0.020 1 495 110 110 GLU C C 176.891 0.3 1 496 110 110 GLU CA C 56.172 0.3 1 497 110 110 GLU CB C 29.234 0.3 1 498 110 110 GLU N N 123.159 0.3 1 499 111 111 GLY H H 8.504 0.020 1 500 111 111 GLY C C 173.751 0.3 1 501 111 111 GLY CA C 44.763 0.3 1 502 111 111 GLY N N 110.855 0.3 1 503 112 112 ILE H H 8.029 0.020 1 504 112 112 ILE C C 176.279 0.3 1 505 112 112 ILE CA C 60.474 0.3 1 506 112 112 ILE CB C 37.537 0.3 1 507 112 112 ILE N N 120.922 0.3 1 508 113 113 LEU H H 8.437 0.020 1 509 113 113 LEU C C 177.117 0.3 1 510 113 113 LEU CA C 54.542 0.3 1 511 113 113 LEU CB C 41.210 0.3 1 512 113 113 LEU N N 127.675 0.3 1 513 114 114 GLU H H 8.448 0.020 1 514 114 114 GLU C C 175.893 0.3 1 515 114 114 GLU CA C 55.931 0.3 1 516 114 114 GLU CB C 29.393 0.3 1 517 114 114 GLU N N 122.911 0.3 1 518 115 115 ASP H H 8.392 0.020 1 519 115 115 ASP C C 175.786 0.3 1 520 115 115 ASP CA C 53.874 0.3 1 521 115 115 ASP CB C 40.305 0.3 1 522 115 115 ASP N N 122.082 0.3 1 523 116 116 MET H H 8.303 0.020 1 524 116 116 MET C C 174.123 0.3 1 525 116 116 MET CA C 52.779 0.3 1 526 116 116 MET CB C 31.469 0.3 1 527 116 116 MET N N 122.662 0.3 1 528 118 118 VAL H H 8.325 0.020 1 529 118 118 VAL C C 175.790 0.3 1 530 118 118 VAL CA C 61.409 0.3 1 531 118 118 VAL CB C 31.842 0.3 1 532 118 118 VAL N N 121.461 0.3 1 533 119 119 ASP H H 8.549 0.020 1 534 119 119 ASP C C 174.722 0.3 1 535 119 119 ASP CA C 51.817 0.3 1 536 119 119 ASP CB C 40.358 0.3 1 537 119 119 ASP N N 126.598 0.3 1 538 121 121 ASP H H 8.403 0.020 1 539 121 121 ASP C C 176.174 0.3 1 540 121 121 ASP CA C 54.168 0.3 1 541 121 121 ASP CB C 40.199 0.3 1 542 121 121 ASP N N 119.928 0.3 1 543 122 122 ASN H H 8.157 0.020 1 544 122 122 ASN C C 175.343 0.3 1 545 122 122 ASN CA C 53.099 0.3 1 546 122 122 ASN CB C 38.549 0.3 1 547 122 122 ASN N N 119.721 0.3 1 548 123 123 GLU H H 8.398 0.020 1 549 123 123 GLU C C 176.013 0.3 1 550 123 123 GLU CA C 56.359 0.3 1 551 123 123 GLU CB C 29.180 0.3 1 552 123 123 GLU N N 122.331 0.3 1 553 124 124 ALA H H 8.247 0.020 1 554 124 124 ALA C C 177.174 0.3 1 555 124 124 ALA CA C 51.817 0.3 1 556 124 124 ALA CB C 18.162 0.3 1 557 124 124 ALA N N 125.106 0.3 1 558 125 125 TYR H H 8.074 0.020 1 559 125 125 TYR C C 175.334 0.3 1 560 125 125 TYR CA C 57.321 0.3 1 561 125 125 TYR CB C 38.123 0.3 1 562 125 125 TYR N N 120.756 0.3 1 563 126 126 GLU H H 8.169 0.020 1 564 126 126 GLU C C 175.386 0.3 1 565 126 126 GLU CA C 55.157 0.3 1 566 126 126 GLU CB C 29.659 0.3 1 567 126 126 GLU N N 124.568 0.3 1 568 127 127 MET H H 8.459 0.020 1 569 127 127 MET C C 174.283 0.3 1 570 127 127 MET CA C 52.885 0.3 1 571 127 127 MET CB C 31.309 0.3 1 572 127 127 MET N N 124.609 0.3 1 573 129 129 SER H H 8.521 0.020 1 574 129 129 SER C C 174.789 0.3 1 575 129 129 SER CA C 57.909 0.3 1 576 129 129 SER CB C 63.566 0.3 1 577 129 129 SER N N 117.442 0.3 1 578 130 130 GLU H H 8.605 0.020 1 579 130 130 GLU C C 176.558 0.3 1 580 130 130 GLU CA C 56.012 0.3 1 581 130 130 GLU CB C 29.234 0.3 1 582 130 130 GLU N N 123.864 0.3 1 583 131 131 GLU H H 8.504 0.020 1 584 131 131 GLU C C 176.997 0.3 1 585 131 131 GLU CA C 56.386 0.3 1 586 131 131 GLU CB C 29.287 0.3 1 587 131 131 GLU N N 122.704 0.3 1 588 132 132 GLY H H 8.431 0.020 1 589 132 132 GLY C C 173.791 0.3 1 590 132 132 GLY CA C 44.656 0.3 1 591 132 132 GLY N N 110.565 0.3 1 592 133 133 TYR H H 8.107 0.020 1 593 133 133 TYR C C 175.693 0.3 1 594 133 133 TYR CA C 57.722 0.3 1 595 133 133 TYR CB C 38.123 0.3 1 596 133 133 TYR N N 121.005 0.3 1 597 134 134 GLN H H 8.230 0.020 1 598 134 134 GLN C C 174.775 0.3 1 599 134 134 GLN CA C 54.889 0.3 1 600 134 134 GLN CB C 28.808 0.3 1 601 134 134 GLN N N 123.449 0.3 1 602 135 135 ASP H H 8.258 0.020 1 603 135 135 ASP C C 175.507 0.3 1 604 135 135 ASP CA C 53.821 0.3 1 605 135 135 ASP CB C 40.358 0.3 1 606 135 135 ASP N N 122.331 0.3 1 607 136 136 TYR H H 8.079 0.020 1 608 136 136 TYR C C 175.108 0.3 1 609 136 136 TYR CA C 57.161 0.3 1 610 136 136 TYR CB C 38.282 0.3 1 611 136 136 TYR N N 121.129 0.3 1 612 137 137 GLU H H 8.292 0.020 1 613 137 137 GLU C C 173.777 0.3 1 614 137 137 GLU CA C 53.153 0.3 1 615 137 137 GLU CB C 29.234 0.3 1 616 137 137 GLU N N 126.059 0.3 1 617 139 139 GLU H H 8.538 0.020 1 618 139 139 GLU C C 175.454 0.3 1 619 139 139 GLU CA C 56.145 0.3 1 620 139 139 GLU CB C 29.234 0.3 1 621 139 139 GLU N N 122.165 0.3 1 622 140 140 ALA H H 8.029 0.020 1 623 140 140 ALA C C 182.652 0.3 1 624 140 140 ALA CA C 53.393 0.3 1 625 140 140 ALA CB C 19.014 0.3 1 626 140 140 ALA N N 131.487 0.3 1 stop_ save_