data_50026 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2H,15N,13C-labeled FUS-LC fibrils ; _BMRB_accession_number 50026 _BMRB_flat_file_name bmr50026.str _Entry_type original _Submission_date 2019-10-01 _Accession_date 2019-10-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shifts of 2H,15N,13C-labeled FUS-LC fibrils' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Murray Dylan T. . 2 Tycko Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 52 "13C chemical shifts" 136 "15N chemical shifts" 53 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-21 original BMRB . stop_ _Original_release_date 2019-10-02 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Side Chain Hydrogen-Bonding Interactions within Amyloid-like Fibrils Formed by the Low-Complexity Domain of FUS: Evidence from Solid State Nuclear Magnetic Resonance Spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31895552 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Murray Dylan T. . 2 Tycko Robert . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 59 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 364 _Page_last 378 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name '2H,15N,13C-labeled FUS-LC fibrils' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FUS-LC fibril' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 243 _Mol_residue_sequence ; MSYYHHHHHHDYDIPTTENL YFQGAMDPASNDYTQQATQS YGAYPTQPGQGYSQQSSQPY GQQSYSGYSQSTDTSGYGQS SYSSYGQSTSQNTGYGTQST PQGYGSTGGYGSSQSSQSSY GQQSSYPGYGQQPAPSSTSG SYGSSSQSSSYGQPQSGSYS QQPSYGGQQQSYGQQQSYNP PQGYGQQNQYNSSSGGGGGG GGGGNYGQDQSSMSSGGGSG GGYGNQDQSGGGGSGGYGQQ DRG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -10 MET 2 -9 SER 3 -8 TYR 4 -7 TYR 5 -6 HIS 6 -5 HIS 7 -4 HIS 8 -3 HIS 9 -2 HIS 10 -1 HIS 11 0 ASP 12 1 TYR 13 2 ASP 14 3 ILE 15 4 PRO 16 5 THR 17 6 THR 18 7 GLU 19 8 ASN 20 9 LEU 21 10 TYR 22 11 PHE 23 12 GLN 24 13 GLY 25 14 ALA 26 15 MET 27 16 ASP 28 17 PRO 29 18 ALA 30 19 SER 31 20 ASN 32 21 ASP 33 22 TYR 34 23 THR 35 24 GLN 36 25 GLN 37 26 ALA 38 27 THR 39 28 GLN 40 29 SER 41 30 TYR 42 31 GLY 43 32 ALA 44 33 TYR 45 34 PRO 46 35 THR 47 36 GLN 48 37 PRO 49 38 GLY 50 39 GLN 51 40 GLY 52 41 TYR 53 42 SER 54 43 GLN 55 44 GLN 56 45 SER 57 46 SER 58 47 GLN 59 48 PRO 60 49 TYR 61 50 GLY 62 51 GLN 63 52 GLN 64 53 SER 65 54 TYR 66 55 SER 67 56 GLY 68 57 TYR 69 58 SER 70 59 GLN 71 60 SER 72 61 THR 73 62 ASP 74 63 THR 75 64 SER 76 65 GLY 77 66 TYR 78 67 GLY 79 68 GLN 80 69 SER 81 70 SER 82 71 TYR 83 72 SER 84 73 SER 85 74 TYR 86 75 GLY 87 76 GLN 88 77 SER 89 78 THR 90 79 SER 91 80 GLN 92 81 ASN 93 82 THR 94 83 GLY 95 84 TYR 96 85 GLY 97 86 THR 98 87 GLN 99 88 SER 100 89 THR 101 90 PRO 102 91 GLN 103 92 GLY 104 93 TYR 105 94 GLY 106 95 SER 107 96 THR 108 97 GLY 109 98 GLY 110 99 TYR 111 100 GLY 112 101 SER 113 102 SER 114 103 GLN 115 104 SER 116 105 SER 117 106 GLN 118 107 SER 119 108 SER 120 109 TYR 121 110 GLY 122 111 GLN 123 112 GLN 124 113 SER 125 114 SER 126 115 TYR 127 116 PRO 128 117 GLY 129 118 TYR 130 119 GLY 131 120 GLN 132 121 GLN 133 122 PRO 134 123 ALA 135 124 PRO 136 125 SER 137 126 SER 138 127 THR 139 128 SER 140 129 GLY 141 130 SER 142 131 TYR 143 132 GLY 144 133 SER 145 134 SER 146 135 SER 147 136 GLN 148 137 SER 149 138 SER 150 139 SER 151 140 TYR 152 141 GLY 153 142 GLN 154 143 PRO 155 144 GLN 156 145 SER 157 146 GLY 158 147 SER 159 148 TYR 160 149 SER 161 150 GLN 162 151 GLN 163 152 PRO 164 153 SER 165 154 TYR 166 155 GLY 167 156 GLY 168 157 GLN 169 158 GLN 170 159 GLN 171 160 SER 172 161 TYR 173 162 GLY 174 163 GLN 175 164 GLN 176 165 GLN 177 166 SER 178 167 TYR 179 168 ASN 180 169 PRO 181 170 PRO 182 171 GLN 183 172 GLY 184 173 TYR 185 174 GLY 186 175 GLN 187 176 GLN 188 177 ASN 189 178 GLN 190 179 TYR 191 180 ASN 192 181 SER 193 182 SER 194 183 SER 195 184 GLY 196 185 GLY 197 186 GLY 198 187 GLY 199 188 GLY 200 189 GLY 201 190 GLY 202 191 GLY 203 192 GLY 204 193 GLY 205 194 ASN 206 195 TYR 207 196 GLY 208 197 GLN 209 198 ASP 210 199 GLN 211 200 SER 212 201 SER 213 202 MET 214 203 SER 215 204 SER 216 205 GLY 217 206 GLY 218 207 GLY 219 208 SER 220 209 GLY 221 210 GLY 222 211 GLY 223 212 TYR 224 213 GLY 225 214 ASN 226 215 GLN 227 216 ASP 228 217 GLN 229 218 SER 230 219 GLY 231 220 GLY 232 221 GLY 233 222 GLY 234 223 SER 235 224 GLY 236 225 GLY 237 226 TYR 238 227 GLY 239 228 GLN 240 229 GLN 241 230 ASP 242 231 ARG 243 232 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pHis stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type 'fibrous protein' _Details 'pelleted fibrils' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 50 % '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'T. D. Goddard and D. G. Kneller' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model InfinityPlus _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model InfinityPlus _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_NCC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCC' _Sample_label $sample_1 save_ save_3D_CANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANH' _Sample_label $sample_1 save_ save_3D_CONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONH' _Sample_label $sample_1 save_ save_3D_NHH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NHH' _Sample_label $sample_1 save_ save_3D_HN(CO)CX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CX' _Sample_label $sample_1 save_ save_3D_CAN(H)H_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CAN(H)H' _Sample_label $sample_1 save_ save_3D_CON(H)H_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CON(H)H' _Sample_label $sample_1 save_ save_3D_NHH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NHH' _Sample_label $sample_1 save_ save_3D_CANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 0 mM pH 7.4 0.05 pH pressure 1 0 atm temperature 301 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 'L-alanine powder' C 13 'carboxyl carbon' ppm 179.65 external direct . . . 1 DSS H 1 'methyl protons' ppm 0 external indirect . . . 3.97622689 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 external indirect . . . 0.402907564 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 NCC' '3D CANH' '3D CONH' '3D NHH' '3D HN(CO)CX' '3D CAN(H)H' '3D CON(H)H' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'FUS-LC fibril' _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 40 51 GLY H H 8.473 0.05 . 2 40 51 GLY C C 172.714 0.1 . 3 40 51 GLY CA C 45.137 0.1 . 4 40 51 GLY N N 107.143 0.1 . 5 41 52 TYR H H 6.912 0.05 . 6 41 52 TYR C C 176.324 0.1 . 7 41 52 TYR CA C 57.563 0.1 . 8 41 52 TYR CB C 35.583 0.1 . 9 41 52 TYR N N 108.868 0.1 . 10 42 53 SER H H 7.630 0.05 . 11 42 53 SER C C 172.138 0.1 . 12 42 53 SER CA C 59.474 0.1 . 13 42 53 SER CB C 65.014 0.1 . 14 42 53 SER N N 114.424 0.1 . 15 43 54 GLN H H 9.267 0.05 . 16 43 54 GLN C C 176.337 0.1 . 17 43 54 GLN CA C 55.069 0.1 . 18 43 54 GLN CB C 33.463 0.1 . 19 43 54 GLN N N 124.453 0.1 . 20 44 71 SER H H 8.565 0.05 . 21 44 71 SER C C 173.782 0.1 . 22 44 71 SER CA C 56.860 0.1 . 23 44 71 SER CB C 65.385 0.1 . 24 44 71 SER N N 121.583 0.1 . 25 45 72 THR H H 9.289 0.05 . 26 45 72 THR C C 173.610 0.1 . 27 45 72 THR CA C 63.302 0.1 . 28 45 72 THR CB C 71.703 0.1 . 29 45 72 THR CG2 C 21.310 0.1 . 30 45 72 THR N N 121.773 0.1 . 31 46 73 ASP H H 8.873 0.05 . 32 46 73 ASP C C 176.717 0.1 . 33 46 73 ASP CA C 51.123 0.1 . 34 46 73 ASP CB C 42.929 0.1 . 35 46 73 ASP N N 127.169 0.1 . 36 47 74 THR H H 10.019 0.05 . 37 47 74 THR C C 173.863 0.1 . 38 47 74 THR CA C 63.538 0.1 . 39 47 74 THR CB C 71.534 0.1 . 40 47 74 THR N N 121.453 0.1 . 41 48 75 SER H H 9.303 0.05 . 42 48 75 SER C C 176.776 0.1 . 43 48 75 SER CA C 59.443 0.1 . 44 48 75 SER CB C 63.282 0.1 . 45 48 75 SER N N 121.203 0.1 . 46 49 76 GLY H H 8.288 0.05 . 47 49 76 GLY C C 174.024 0.1 . 48 49 76 GLY CA C 44.712 0.1 . 49 49 76 GLY N N 114.154 0.1 . 50 50 77 TYR H H 7.168 0.05 . 51 50 77 TYR C C 173.966 0.1 . 52 50 77 TYR CA C 61.652 0.1 . 53 50 77 TYR CB C 37.448 0.1 . 54 50 77 TYR N N 104.835 0.1 . 55 51 78 GLY H H 7.748 0.05 . 56 51 78 GLY C C 172.682 0.1 . 57 51 78 GLY CA C 43.159 0.1 . 58 51 78 GLY N N 108.145 0.1 . 59 52 79 GLN H H 7.891 0.05 . 60 52 79 GLN HE21 H 6.467 0.05 . 61 52 79 GLN HE22 H 6.467 0.05 . 62 52 79 GLN C C 176.684 0.1 . 63 52 79 GLN CA C 56.503 0.1 . 64 52 79 GLN CB C 26.685 0.1 . 65 52 79 GLN CG C 35.005 0.1 . 66 52 79 GLN CD C 181.530 0.1 . 67 52 79 GLN N N 110.284 0.1 . 68 52 79 GLN NE2 N 110.837 0.1 . 69 53 80 SER H H 8.168 0.05 . 70 53 80 SER C C 173.676 0.1 . 71 53 80 SER CA C 58.231 0.1 . 72 53 80 SER CB C 66.094 0.1 . 73 53 80 SER N N 116.443 0.1 . 74 54 81 SER H H 8.701 0.05 . 75 54 81 SER C C 175.787 0.1 . 76 54 81 SER CA C 56.294 0.1 . 77 54 81 SER CB C 65.735 0.1 . 78 54 81 SER N N 114.034 0.1 . 79 55 82 TYR H H 7.875 0.05 . 80 55 82 TYR C C 173.791 0.1 . 81 55 82 TYR N N 123.258 0.1 . 82 56 83 SER H H 9.159 0.05 . 83 56 83 SER CA C 52.719 0.1 . 84 56 83 SER N N 124.634 0.1 . 85 62 91 GLN C C 172.378 0.1 . 86 63 92 ASN H H 8.184 0.05 . 87 63 92 ASN C C 177.523 0.1 . 88 63 92 ASN CA C 56.354 0.1 . 89 63 92 ASN CB C 41.030 0.1 . 90 63 92 ASN N N 120.894 0.1 . 91 64 93 THR H H 9.039 0.05 . 92 64 93 THR CA C 61.316 0.1 . 93 64 93 THR N N 114.753 0.1 . 94 65 94 GLY H H 9.100 0.05 . 95 65 94 GLY C C 171.358 0.1 . 96 65 94 GLY CA C 45.837 0.1 . 97 65 94 GLY N N 115.967 0.1 . 98 66 95 TYR H H 8.776 0.05 . 99 66 95 TYR CA C 57.961 0.1 . 100 66 95 TYR CB C 41.502 0.1 . 101 66 95 TYR N N 122.885 0.1 . 102 67 96 GLY H H 9.116 0.05 . 103 67 96 GLY C C 174.333 0.1 . 104 67 96 GLY CA C 47.310 0.1 . 105 67 96 GLY N N 115.021 0.1 . 106 68 97 THR H H 7.795 0.05 . 107 68 97 THR C C 172.514 0.1 . 108 68 97 THR CA C 61.477 0.1 . 109 68 97 THR CB C 70.163 0.1 . 110 68 97 THR N N 115.211 0.1 . 111 69 98 GLN H H 8.908 0.05 . 112 69 98 GLN C C 174.325 0.1 . 113 69 98 GLN CA C 54.087 0.1 . 114 69 98 GLN CB C 34.113 0.1 . 115 69 98 GLN N N 127.054 0.1 . 116 70 99 SER H H 8.444 0.05 . 117 70 99 SER C C 174.309 0.1 . 118 70 99 SER CA C 54.726 0.1 . 119 70 99 SER CB C 63.874 0.1 . 120 70 99 SER N N 120.143 0.1 . 121 72 101 PRO C C 176.843 0.1 . 122 72 101 PRO CA C 62.460 0.1 . 123 72 101 PRO CB C 31.873 0.1 . 124 73 102 GLN H H 9.087 0.05 . 125 73 102 GLN C C 175.545 0.1 . 126 73 102 GLN CA C 54.525 0.1 . 127 73 102 GLN CB C 32.871 0.1 . 128 73 102 GLN CG C 34.229 0.1 . 129 73 102 GLN N N 121.299 0.1 . 130 74 103 GLY H H 8.659 0.05 . 131 74 103 GLY C C 174.407 0.1 . 132 74 103 GLY CA C 46.256 0.1 . 133 74 103 GLY N N 110.149 0.1 . 134 75 104 TYR H H 9.184 0.05 . 135 75 104 TYR C C 177.985 0.1 . 136 75 104 TYR CA C 59.983 0.1 . 137 75 104 TYR CB C 39.530 0.1 . 138 75 104 TYR N N 126.822 0.1 . 139 76 105 GLY H H 7.652 0.05 . 140 76 105 GLY C C 176.078 0.1 . 141 76 105 GLY CA C 45.774 0.1 . 142 76 105 GLY N N 103.533 0.1 . 143 77 106 SER H H 9.265 0.05 . 144 77 106 SER C C 175.095 0.1 . 145 77 106 SER CA C 58.606 0.1 . 146 77 106 SER CB C 65.057 0.1 . 147 77 106 SER N N 118.837 0.1 . 148 78 107 THR H H 8.759 0.05 . 149 78 107 THR C C 174.013 0.1 . 150 78 107 THR CA C 62.654 0.1 . 151 78 107 THR CB C 69.914 0.1 . 152 78 107 THR CG2 C 19.671 0.1 . 153 78 107 THR N N 123.364 0.1 . 154 79 108 GLY H H 9.202 0.05 . 155 79 108 GLY C C 172.636 0.1 . 156 79 108 GLY CA C 43.884 0.1 . 157 79 108 GLY N N 115.758 0.1 . 158 80 109 GLY H H 8.047 0.05 . 159 80 109 GLY C C 172.094 0.1 . 160 80 109 GLY CA C 43.836 0.1 . 161 80 109 GLY N N 109.771 0.1 . 162 81 110 TYR H H 7.678 0.05 . 163 81 110 TYR C C 177.472 0.1 . 164 81 110 TYR CA C 61.585 0.1 . 165 81 110 TYR CB C 39.341 0.1 . 166 81 110 TYR N N 121.219 0.1 . 167 82 111 GLY H H 8.508 0.05 . 168 82 111 GLY C C 175.207 0.1 . 169 82 111 GLY CA C 48.980 0.1 . 170 82 111 GLY N N 107.848 0.1 . 171 83 112 SER H H 6.948 0.05 . 172 83 112 SER C C 173.326 0.1 . 173 83 112 SER CA C 57.444 0.1 . 174 83 112 SER CB C 65.723 0.1 . 175 83 112 SER N N 109.387 0.1 . 176 84 113 SER H H 7.593 0.05 . 177 84 113 SER C C 175.620 0.1 . 178 84 113 SER CA C 55.975 0.1 . 179 84 113 SER N N 116.540 0.1 . 180 85 114 GLN H H 8.140 0.05 . 181 85 114 GLN CA C 54.879 0.1 . 182 85 114 GLN N N 127.874 0.1 . 183 86 115 SER H H 8.927 0.05 . 184 86 115 SER CA C 56.132 0.1 . 185 86 115 SER CB C 66.674 0.1 . 186 86 115 SER N N 120.160 0.1 . 187 87 116 SER C C 173.532 0.1 . 188 87 116 SER CA C 58.708 0.1 . 189 87 116 SER CB C 65.244 0.1 . 190 87 116 SER N N 113.418 0.1 . 191 88 117 GLN H H 7.296 0.05 . 192 88 117 GLN C C 172.524 0.1 . 193 88 117 GLN CA C 57.998 0.1 . 194 88 117 GLN N N 107.361 0.1 . 195 89 118 SER H H 7.897 0.05 . 196 89 118 SER C C 174.458 0.1 . 197 89 118 SER CA C 56.329 0.1 . 198 89 118 SER CB C 65.340 0.1 . 199 89 118 SER N N 118.425 0.1 . 200 90 119 SER H H 8.593 0.05 . 201 90 119 SER N N 117.903 0.1 . 202 91 120 TYR C C 176.785 0.1 . 203 91 120 TYR CA C 55.334 0.1 . 204 92 121 GLY H H 7.592 0.05 . 205 92 121 GLY C C 174.775 0.1 . 206 92 121 GLY CA C 46.905 0.1 . 207 92 121 GLY N N 100.103 0.1 . 208 93 122 GLN H H 7.120 0.05 . 209 93 122 GLN C C 176.223 0.1 . 210 93 122 GLN CA C 58.481 0.1 . 211 93 122 GLN CB C 28.545 0.1 . 212 93 122 GLN N N 115.915 0.1 . 213 94 123 GLN H H 8.589 0.05 . 214 94 123 GLN C C 175.616 0.1 . 215 94 123 GLN CA C 55.001 0.1 . 216 94 123 GLN CB C 33.953 0.1 . 217 94 123 GLN N N 117.398 0.1 . 218 95 124 SER H H 7.815 0.05 . 219 95 124 SER C C 170.969 0.1 . 220 95 124 SER CA C 58.683 0.1 . 221 95 124 SER N N 123.661 0.1 . 222 106 135 PRO C C 171.384 0.1 . 223 107 136 SER H H 8.080 0.05 . 224 107 136 SER C C 172.254 0.1 . 225 107 136 SER CA C 59.080 0.1 . 226 107 136 SER CB C 68.779 0.1 . 227 107 136 SER N N 112.143 0.1 . 228 108 137 SER H H 8.352 0.05 . 229 108 137 SER C C 172.360 0.1 . 230 108 137 SER CA C 55.415 0.1 . 231 108 137 SER CB C 62.328 0.1 . 232 108 137 SER N N 114.214 0.1 . 233 109 138 THR C C 174.260 0.1 . 234 109 138 THR CA C 61.467 0.1 . 235 109 138 THR N N 120.950 0.1 . 236 110 139 SER H H 8.807 0.05 . 237 110 139 SER C C 174.716 0.1 . 238 110 139 SER CA C 55.920 0.1 . 239 110 139 SER N N 115.952 0.1 . 240 111 140 GLY H H 7.923 0.05 . 241 111 140 GLY N N 113.267 0.1 . stop_ save_