data_30304 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Molecular structure of FUS low sequence complexity domain protein fibrils ; _BMRB_accession_number 30304 _BMRB_flat_file_name bmr30304.str _Entry_type original _Submission_date 2017-06-08 _Accession_date 2017-06-08 _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 Murray D. T. . 2 Kato M. . . 3 Lin Y. . . 4 Thurber K. . . 5 Hung I. . . 6 McKnight S. . . 7 Tycko R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 173 "15N chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-09 update BMRB 'update entry citation' 2017-09-15 original author 'original release' stop_ _Original_release_date 2017-07-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of FUS Protein Fibrils and Its Relevance to Self-Assembly and Phase Separation of Low-Complexity Domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28942918 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Murray D. T. . 2 Kato M. . . 3 Lin Y. . . 4 Thurber K. . . 5 Hung I. . . 6 McKnight S. . . 7 Tycko R. . . stop_ _Journal_abbreviation Cell _Journal_name_full Cell _Journal_volume 171 _Journal_issue 3 _Journal_ISSN 1097-4172 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 615 _Page_last 627 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA-binding protein FUS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, chain 1' $entity_1 'entity_1, chain 2' $entity_1 'entity_1, chain 3' $entity_1 'entity_1, chain 4' $entity_1 'entity_1, chain 5' $entity_1 'entity_1, chain 6' $entity_1 'entity_1, chain 7' $entity_1 'entity_1, chain 8' $entity_1 'entity_1, chain 9' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RNA-binding protein FUS' _Molecular_mass 6290.144 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; SYSGYSQSTDTSGYGQSSYS SYGQSQNTGYGTQSTPQGYG STGGYGSSQSSQSSYGQQSS Y ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 37 SER 2 38 TYR 3 39 SER 4 40 GLY 5 41 TYR 6 42 SER 7 43 GLN 8 44 SER 9 45 THR 10 46 ASP 11 47 THR 12 48 SER 13 49 GLY 14 50 TYR 15 51 GLY 16 52 GLN 17 53 SER 18 54 SER 19 55 TYR 20 56 SER 21 57 SER 22 58 TYR 23 59 GLY 24 60 GLN 25 61 SER 26 62 GLN 27 63 ASN 28 64 THR 29 65 GLY 30 66 TYR 31 67 GLY 32 68 THR 33 69 GLN 34 70 SER 35 71 THR 36 72 PRO 37 73 GLN 38 74 GLY 39 75 TYR 40 76 GLY 41 77 SER 42 78 THR 43 79 GLY 44 80 GLY 45 81 TYR 46 82 GLY 47 83 SER 48 84 SER 49 85 GLN 50 86 SER 51 87 SER 52 88 GLN 53 89 SER 54 90 SER 55 91 TYR 56 92 GLY 57 93 GLN 58 94 GLN 59 95 SER 60 96 SER 61 97 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'FUS, TLS' 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 $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details '0.28 mg/uL [U-99% 13C; U-99% 15N] FUS-LC Fibril, 100% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.28 mg/uL '[U-99% 13C; U-99% 15N]' 'soduim phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solid _Details '0.28 mg/uL 99% 15N, 99% 2-13C Glycerol FUS-LC Fibril, 100% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.28 mg/uL '99% 15N, 99% 2-13C Glycerol' 'soduim phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solid _Details '0.28 mg/uL 99% 15N, 99% 1,3-13C Glycerol FUS-LC Fibril, 100% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.28 mg/uL '99% 15N, 99% 1,3-13C Glycerol' 'soduim phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solid _Details '0.23 mg/uL 99% 1-13C Tyrosine FUS-LC Fibril, 100% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.23 mg/uL '99% 1-13C Tyrosine' 'soduim phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solid _Details '0.23 mg/uL 99% 1-13C Threonine FUS-LC Fibril, 100% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.23 mg/uL '99% 1-13C Threonine' 'soduim phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name MCASSIGN _Version 2B loop_ _Vendor _Address _Electronic_address 'Kan-Nian Hu, Wei Qiang, and Robert Tycko' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 8.9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.45 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 895.1 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Infinity _Field_strength 746.1 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model InfinityPlus _Field_strength 599.2 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 400.6 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_NCACX_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_3D_CONCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONCA' _Sample_label $sample_1 save_ save_3D_CANCX_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANCX' _Sample_label $sample_1 save_ save_13C-13C_PITHIRDS-CT_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-13C PITHIRDS-CT' _Sample_label $sample_4 save_ save_13C-13C_PITHIRDS-CT_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-13C PITHIRDS-CT' _Sample_label $sample_5 save_ save_15N-15N_BARE_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-15N BARE' _Sample_label $sample_1 save_ save_15N-15N_BARE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-15N BARE' _Sample_label $sample_2 save_ save_13C-13C_DARR_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-13C DARR' _Sample_label $sample_2 save_ save_13C-13C_DARR_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-13C DARR' _Sample_label $sample_3 save_ save_3D_NCACX_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_2 save_ save_3D_NCOCX_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_3 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' 20 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Chemical shift values referenced to DSS scale by measuring the 1-13C chemical shift of L-Alanine powder.' 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 0.000 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.25144953 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D NCACX' '3D NCOCX' '3D CONCA' '3D CANCX' '13C-13C PITHIRDS-CT' '15N-15N BARE' '13C-13C DARR' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_5 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, chain 1' _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 39 3 SER C C 174.6 0.1 1 2 39 3 SER CA C 57.6 0.1 1 3 39 3 SER CB C 65.6 0.1 1 4 39 3 SER N N 118.5 0.2 1 5 40 4 GLY CA C 47.5 0.1 1 6 40 4 GLY N N 110.6 0.2 1 7 44 8 SER C C 173.2 0.1 1 8 44 8 SER CA C 56.8 0.1 1 9 44 8 SER CB C 65.5 0.1 1 10 44 8 SER N N 122.1 0.2 1 11 45 9 THR C C 172.9 0.1 1 12 45 9 THR CA C 63.1 0.1 1 13 45 9 THR CB C 71.7 0.1 1 14 45 9 THR CG2 C 21.9 0.1 1 15 45 9 THR N N 122.5 0.2 1 16 46 10 ASP C C 176.3 0.1 1 17 46 10 ASP CA C 50.7 0.1 1 18 46 10 ASP CB C 42.9 0.1 1 19 46 10 ASP CG C 180.9 0.1 1 20 46 10 ASP N N 127.4 0.2 1 21 47 11 THR C C 173.2 0.1 1 22 47 11 THR CA C 63.5 0.1 1 23 47 11 THR CB C 71.5 0.1 1 24 47 11 THR CG2 C 21.9 0.1 1 25 47 11 THR N N 121.8 0.2 1 26 48 12 SER C C 176.1 0.1 1 27 48 12 SER CA C 59.3 0.1 1 28 48 12 SER CB C 63.4 0.1 1 29 48 12 SER N N 121.4 0.2 1 30 49 13 GLY C C 173.4 0.1 1 31 49 13 GLY CA C 44.5 0.1 1 32 49 13 GLY N N 114.4 0.2 1 33 50 14 TYR C C 173.5 0.1 1 34 50 14 TYR CA C 61.7 0.1 1 35 50 14 TYR CB C 37.7 0.1 1 36 50 14 TYR CG C 128.2 0.1 1 37 50 14 TYR CD1 C 131.4 0.1 3 38 50 14 TYR CD2 C 133.5 0.1 3 39 50 14 TYR CE1 C 118.8 0.1 3 40 50 14 TYR CZ C 157.0 0.1 1 41 50 14 TYR N N 104.7 0.2 1 42 51 15 GLY C C 172.1 0.1 1 43 51 15 GLY CA C 42.9 0.1 1 44 51 15 GLY N N 108.3 0.2 1 45 52 16 GLN C C 176.0 0.1 1 46 52 16 GLN CA C 56.4 0.1 1 47 52 16 GLN CB C 27.1 0.1 1 48 52 16 GLN CG C 35.2 0.1 1 49 52 16 GLN CD C 181.1 0.1 1 50 52 16 GLN N N 110.3 0.2 1 51 53 17 SER C C 173.0 0.1 1 52 53 17 SER CA C 58.0 0.1 1 53 53 17 SER CB C 66.5 0.1 1 54 53 17 SER N N 116.4 0.2 1 55 54 18 SER C C 175.0 0.1 1 56 54 18 SER CA C 56.1 0.1 1 57 54 18 SER CB C 66.5 0.1 1 58 54 18 SER N N 113.9 0.2 1 59 63 27 ASN C C 173.7 0.1 1 60 63 27 ASN CA C 52.4 0.1 1 61 63 27 ASN CB C 39.9 0.1 1 62 63 27 ASN CG C 176.4 0.1 1 63 63 27 ASN N N 126.9 0.2 1 64 64 28 THR C C 173.6 0.1 1 65 64 28 THR CA C 61.4 0.1 1 66 64 28 THR CB C 70.6 0.1 1 67 64 28 THR CG2 C 21.9 0.1 1 68 64 28 THR N N 122.9 0.2 1 69 65 29 GLY C C 171.1 0.1 1 70 65 29 GLY CA C 45.5 0.1 1 71 65 29 GLY N N 117.2 0.2 1 72 66 30 TYR C C 177.5 0.1 1 73 66 30 TYR CA C 57.9 0.1 1 74 66 30 TYR CB C 41.5 0.1 1 75 66 30 TYR CG C 130.1 0.1 1 76 66 30 TYR CD1 C 132.0 0.1 3 77 66 30 TYR CD2 C 134.1 0.1 3 78 66 30 TYR CE1 C 118.8 0.1 3 79 66 30 TYR CZ C 156.9 0.1 1 80 66 30 TYR N N 122.9 0.2 1 81 67 31 GLY C C 174.0 0.1 1 82 67 31 GLY CA C 47.1 0.1 1 83 67 31 GLY N N 114.9 0.2 1 84 68 32 THR C C 172.0 0.1 1 85 68 32 THR CA C 61.4 0.1 1 86 68 32 THR CB C 70.1 0.1 1 87 68 32 THR N N 115.0 0.2 1 88 69 33 GLN C C 173.6 0.1 1 89 69 33 GLN CA C 53.9 0.1 1 90 69 33 GLN CB C 34.2 0.1 1 91 69 33 GLN CG C 34.8 0.1 1 92 69 33 GLN CD C 177.2 0.1 1 93 69 33 GLN N N 126.8 0.2 1 94 70 34 SER C C 173.7 0.1 1 95 70 34 SER CA C 54.8 0.1 1 96 70 34 SER CB C 64.2 0.1 1 97 70 34 SER N N 120.5 0.2 1 98 71 35 THR CA C 60.7 0.1 1 99 71 35 THR CB C 70.1 0.1 1 100 71 35 THR CG2 C 20.5 0.1 1 101 72 36 PRO C C 176.6 0.1 1 102 72 36 PRO CA C 62.3 0.1 1 103 72 36 PRO CB C 32.3 0.1 1 104 72 36 PRO CG C 28.5 0.1 1 105 72 36 PRO CD C 47.2 0.1 1 106 72 36 PRO N N 132.9 0.2 1 107 73 37 GLN C C 175.3 0.1 1 108 73 37 GLN CA C 54.7 0.1 1 109 73 37 GLN CB C 33.4 0.1 1 110 73 37 GLN CG C 34.9 0.1 1 111 73 37 GLN N N 121.8 0.2 1 112 74 38 GLY C C 173.9 0.1 1 113 74 38 GLY CA C 46.2 0.1 1 114 74 38 GLY N N 110.2 0.2 1 115 75 39 TYR C C 177.6 0.1 1 116 75 39 TYR CA C 59.9 0.1 1 117 75 39 TYR CB C 39.7 0.1 1 118 75 39 TYR CG C 129.1 0.1 1 119 75 39 TYR CD1 C 131.2 0.1 3 120 75 39 TYR CD2 C 133.5 0.1 3 121 75 39 TYR CE1 C 117.6 0.1 3 122 75 39 TYR CE2 C 118.6 0.1 3 123 75 39 TYR CZ C 157.0 0.1 1 124 75 39 TYR N N 126.6 0.2 1 125 76 40 GLY C C 175.8 0.1 1 126 76 40 GLY CA C 45.7 0.1 1 127 76 40 GLY N N 103.3 0.2 1 128 77 41 SER C C 174.7 0.1 1 129 77 41 SER CA C 58.6 0.1 1 130 77 41 SER CB C 65.2 0.1 1 131 77 41 SER N N 119.1 0.2 1 132 78 42 THR C C 173.1 0.1 1 133 78 42 THR CA C 62.6 0.1 1 134 78 42 THR CB C 69.9 0.1 1 135 78 42 THR CG2 C 19.8 0.1 1 136 78 42 THR N N 123.4 0.2 1 137 79 43 GLY C C 172.1 0.1 1 138 79 43 GLY CA C 43.6 0.1 1 139 79 43 GLY N N 116.4 0.2 1 140 80 44 GLY C C 171.6 0.1 1 141 80 44 GLY CA C 43.6 0.1 1 142 80 44 GLY N N 109.9 0.2 1 143 81 45 TYR C C 177.1 0.1 1 144 81 45 TYR CA C 61.6 0.1 1 145 81 45 TYR CB C 39.6 0.1 1 146 81 45 TYR CG C 131.1 0.1 1 147 81 45 TYR CD1 C 131.7 0.1 3 148 81 45 TYR CD2 C 131.7 0.1 3 149 81 45 TYR CE1 C 117.4 0.1 3 150 81 45 TYR CE2 C 117.7 0.1 3 151 81 45 TYR CZ C 157.7 0.1 1 152 81 45 TYR N N 122.0 0.2 1 153 82 46 GLY C C 174.9 0.1 1 154 82 46 GLY CA C 48.7 0.1 1 155 82 46 GLY N N 110.1 0.2 1 156 83 47 SER C C 172.5 0.1 1 157 83 47 SER CA C 57.5 0.1 1 158 83 47 SER CB C 66.0 0.1 1 159 83 47 SER N N 109.7 0.2 1 160 84 48 SER C C 175.0 0.1 1 161 84 48 SER CA C 55.9 0.1 1 162 84 48 SER CB C 67.6 0.1 1 163 84 48 SER N N 116.5 0.2 1 164 85 49 GLN C C 172.3 0.1 1 165 85 49 GLN CA C 54.7 0.1 1 166 85 49 GLN CB C 33.4 0.1 1 167 85 49 GLN CG C 34.1 0.1 1 168 85 49 GLN CD C 180.3 0.1 1 169 85 49 GLN N N 128.4 0.2 1 170 86 50 SER C C 174.0 0.1 1 171 86 50 SER CA C 56.0 0.1 1 172 86 50 SER CB C 67.0 0.1 1 173 86 50 SER N N 120.9 0.2 1 174 87 51 SER C C 172.9 0.1 1 175 87 51 SER CA C 58.9 0.1 1 176 87 51 SER CB C 65.2 0.1 1 177 87 51 SER N N 113.0 0.2 1 178 88 52 GLN C C 176.4 0.1 1 179 88 52 GLN CA C 56.4 0.1 1 180 88 52 GLN CB C 31.9 0.1 1 181 88 52 GLN CG C 34.1 0.1 1 182 88 52 GLN CD C 179.0 0.1 1 183 88 52 GLN N N 120.2 0.2 1 184 89 53 SER C C 173.4 0.1 1 185 89 53 SER CA C 56.6 0.1 1 186 89 53 SER CB C 66.0 0.1 1 187 89 53 SER N N 117.1 0.2 1 188 90 54 SER C C 173.1 0.1 1 189 90 54 SER CA C 54.6 0.1 1 190 90 54 SER CB C 64.4 0.1 1 191 90 54 SER N N 118.2 0.2 1 192 91 55 TYR C C 175.8 0.1 1 193 91 55 TYR CA C 55.2 0.1 1 194 91 55 TYR CB C 39.2 0.1 1 195 91 55 TYR CG C 129.1 0.1 1 196 91 55 TYR CD1 C 132.6 0.1 3 197 91 55 TYR CD2 C 133.4 0.1 3 198 91 55 TYR CE1 C 117.1 0.1 3 199 91 55 TYR CZ C 157.8 0.1 1 200 91 55 TYR N N 123.7 0.2 1 201 92 56 GLY C C 174.4 0.1 1 202 92 56 GLY CA C 46.6 0.1 1 203 92 56 GLY N N 100.3 0.2 1 204 93 57 GLN C C 175.6 0.1 1 205 93 57 GLN CA C 58.3 0.1 1 206 93 57 GLN CB C 28.7 0.1 1 207 93 57 GLN CG C 36.0 0.1 1 208 93 57 GLN CD C 177.2 0.1 1 209 93 57 GLN N N 116.2 0.2 1 210 94 58 GLN C C 175.6 0.1 1 211 94 58 GLN CA C 54.8 0.1 1 212 94 58 GLN CB C 34.2 0.1 1 213 94 58 GLN CD C 177.7 0.1 1 214 94 58 GLN N N 117.5 0.2 1 215 95 59 SER C C 173.8 0.1 1 216 95 59 SER CA C 56.2 0.1 1 217 95 59 SER CB C 65.2 0.1 1 218 95 59 SER N N 121.7 0.2 1 stop_ save_