data_27931 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Unfolded ZnF in FUS (371-526) prion-like domain ; _BMRB_accession_number 27931 _BMRB_flat_file_name bmr27931.str _Entry_type original _Submission_date 2019-05-29 _Accession_date 2019-05-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Unfolded ZnF in FUS (371-526) prion-like domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jianxing . . 2 Lim 'Liang Zhong' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 268 "13C chemical shifts" 223 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-28 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27932 'FUS (371-526) (Folded)' stop_ _Original_release_date 2019-05-30 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A unified mechanism for LLPS of ALS/FTLD-causing FUS as well as its modulation by ATP and oligonucleic acids ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31188823 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Jian . . 2 Lim Liangzhong . . 3 Lu Yimei . . 4 Song Jianxing . . stop_ _Journal_abbreviation 'PLoS Biol.' _Journal_name_full 'PLoS biology' _Journal_volume 17 _Journal_issue 6 _Journal_ISSN 1545-7885 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e3000327 _Page_last e3000327 _Year 2019 _Details . loop_ _Keyword 'C-terminal domain' FUS ZnF 'prion-like domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FUS (371-526)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FUS (371-526)' $Unfolded_FUS_(371-526) 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_Unfolded_FUS_(371-526) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Unfolded_FUS_(371-526) _Molecular_mass . _Mol_thiol_state 'not present' _Details 'FUS (371-526) with unfolded ZnF' ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; RRADFNRGGGNGRGGRGRGG PMGRGGYGGGGSGGGGRGGF PSGGGGGGGQQRAGDWKCPN PTCENMNFSWRNECNQCKAP KPDGPGGGPGGSHMGGNYGD DRRGGRGGYDRGGYRGRGGD RGGFRGGRGGGDRGGFGPGK MDSRGEHRQDRRERPYLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 ARG 3 ALA 4 ASP 5 PHE 6 ASN 7 ARG 8 GLY 9 GLY 10 GLY 11 ASN 12 GLY 13 ARG 14 GLY 15 GLY 16 ARG 17 GLY 18 ARG 19 GLY 20 GLY 21 PRO 22 MET 23 GLY 24 ARG 25 GLY 26 GLY 27 TYR 28 GLY 29 GLY 30 GLY 31 GLY 32 SER 33 GLY 34 GLY 35 GLY 36 GLY 37 ARG 38 GLY 39 GLY 40 PHE 41 PRO 42 SER 43 GLY 44 GLY 45 GLY 46 GLY 47 GLY 48 GLY 49 GLY 50 GLN 51 GLN 52 ARG 53 ALA 54 GLY 55 ASP 56 TRP 57 LYS 58 CYS 59 PRO 60 ASN 61 PRO 62 THR 63 CYS 64 GLU 65 ASN 66 MET 67 ASN 68 PHE 69 SER 70 TRP 71 ARG 72 ASN 73 GLU 74 CYS 75 ASN 76 GLN 77 CYS 78 LYS 79 ALA 80 PRO 81 LYS 82 PRO 83 ASP 84 GLY 85 PRO 86 GLY 87 GLY 88 GLY 89 PRO 90 GLY 91 GLY 92 SER 93 HIS 94 MET 95 GLY 96 GLY 97 ASN 98 TYR 99 GLY 100 ASP 101 ASP 102 ARG 103 ARG 104 GLY 105 GLY 106 ARG 107 GLY 108 GLY 109 TYR 110 ASP 111 ARG 112 GLY 113 GLY 114 TYR 115 ARG 116 GLY 117 ARG 118 GLY 119 GLY 120 ASP 121 ARG 122 GLY 123 GLY 124 PHE 125 ARG 126 GLY 127 GLY 128 ARG 129 GLY 130 GLY 131 GLY 132 ASP 133 ARG 134 GLY 135 GLY 136 PHE 137 GLY 138 PRO 139 GLY 140 LYS 141 MET 142 ASP 143 SER 144 ARG 145 GLY 146 GLU 147 HIS 148 ARG 149 GLN 150 ASP 151 ARG 152 ARG 153 GLU 154 ARG 155 PRO 156 TYR 157 LEU 158 GLU 159 HIS 160 HIS 161 HIS 162 HIS 163 HIS 164 HIS 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 $Unfolded_FUS_(371-526) 'E. coli' 562 Bacteria . Escherichia coli 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 $Unfolded_FUS_(371-526) 'recombinant technology' . Escherichia coli . pET28a 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 $Unfolded_FUS_(371-526) 500 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '5 mM sodium phosphate buffer at pH 6.0' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6 . pH pressure 1 . atm temperature 295 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D H(CCO)NH' 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 'FUS (371-526)' _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 1 1 ARG HA H 4.2275 . . 2 1 1 ARG CA C 55.36 . . 3 1 1 ARG CB C 32.14 . . 4 2 2 ARG H H 8.748 . . 5 2 2 ARG HA H 4.2275 . . 6 2 2 ARG CA C 56.275 . . 7 2 2 ARG CB C 31.084 . . 8 2 2 ARG N N 124.741 . . 9 3 3 ALA H H 8.355 . . 10 3 3 ALA HA H 4.3638 . . 11 3 3 ALA CA C 53.034 . . 12 3 3 ALA CB C 19.468 . . 13 3 3 ALA N N 125.681 . . 14 4 4 ASP H H 8.166 . . 15 4 4 ASP HA H 4.5196 . . 16 4 4 ASP CA C 54.416 . . 17 4 4 ASP CB C 41.337 . . 18 4 4 ASP N N 119.113 . . 19 5 5 PHE H H 8.029 . . 20 5 5 PHE HA H 4.6075 . . 21 5 5 PHE CA C 58.274 . . 22 5 5 PHE CB C 39.485 . . 23 5 5 PHE N N 120.493 . . 24 6 6 ASN H H 8.339 . . 25 6 6 ASN HA H 4.6103 . . 26 6 6 ASN CA C 53.482 . . 27 6 6 ASN CB C 39.067 . . 28 6 6 ASN N N 120.296 . . 29 7 7 ARG H H 8.197 . . 30 7 7 ARG HA H 4.259 . . 31 7 7 ARG CA C 56.703 . . 32 7 7 ARG CB C 30.724 . . 33 7 7 ARG N N 121.705 . . 34 8 8 GLY H H 8.341 . . 35 8 8 GLY HA2 H 3.9154 . . 36 8 8 GLY HA3 H 3.9154 . . 37 8 8 GLY CA C 45.672 . . 38 8 8 GLY N N 109.263 . . 39 10 10 GLY H H 8.318 . . 40 10 10 GLY HA2 H 3.9367 . . 41 10 10 GLY HA3 H 3.9367 . . 42 10 10 GLY CA C 45.476 . . 43 10 10 GLY N N 108.818 . . 44 11 11 ASN H H 8.282 . . 45 11 11 ASN HA H 4.675 . . 46 11 11 ASN CA C 53.33 . . 47 11 11 ASN CB C 39.023 . . 48 11 11 ASN N N 118.661 . . 49 12 12 GLY H H 8.424 . . 50 12 12 GLY HA2 H 3.9099 . . 51 12 12 GLY HA3 H 3.9099 . . 52 12 12 GLY CA C 45.772 . . 53 12 12 GLY N N 109.172 . . 54 13 13 ARG H H 8.191 . . 55 13 13 ARG HA H 4.2049 . . 56 13 13 ARG CA C 56.447 . . 57 13 13 ARG CB C 30.677 . . 58 13 13 ARG N N 120.362 . . 59 14 14 GLY H H 8.371 . . 60 14 14 GLY HA2 H 3.8893 . . 61 14 14 GLY HA3 H 3.8893 . . 62 14 14 GLY CA C 45.63 . . 63 14 14 GLY N N 109.329 . . 64 16 16 ARG H H 8.346 . . 65 16 16 ARG HA H 4.2901 . . 66 16 16 ARG CA C 56.3645 . . 67 16 16 ARG CB C 30.6379 . . 68 16 16 ARG N N 121.9234 . . 69 18 18 ARG H H 8.54 . . 70 18 18 ARG HA H 4.2265 . . 71 18 18 ARG CA C 56.547 . . 72 18 18 ARG CB C 31.019 . . 73 18 18 ARG N N 124.369 . . 74 21 21 PRO CA C 62.914 . . 75 21 21 PRO CB C 32.264 . . 76 22 22 MET H H 8.685 . . 77 22 22 MET HA H 4.4901 . . 78 22 22 MET CA C 56.127 . . 79 22 22 MET CB C 32.828 . . 80 22 22 MET N N 121.079 . . 81 23 23 GLY H H 8.259 . . 82 23 23 GLY HA2 H 3.9305 . . 83 23 23 GLY HA3 H 3.9305 . . 84 23 23 GLY CA C 45.544 . . 85 23 23 GLY N N 109.72 . . 86 24 24 ARG H H 8.244 . . 87 24 24 ARG HA H 4.2407 . . 88 24 24 ARG CA C 56.626 . . 89 24 24 ARG CB C 30.181 . . 90 24 24 ARG N N 120.798 . . 91 27 27 TYR CA C 58.578 . . 92 27 27 TYR CB C 38.822 . . 93 28 28 GLY H H 8.276 . . 94 28 28 GLY HA2 H 3.8822 . . 95 28 28 GLY HA3 H 3.8822 . . 96 28 28 GLY CA C 45.573 . . 97 28 28 GLY N N 110.131 . . 98 31 31 GLY CA C 45.369 . . 99 32 32 SER H H 8.314 . . 100 32 32 SER HA H 4.4421 . . 101 32 32 SER CA C 58.802 . . 102 32 32 SER CB C 64.176 . . 103 32 32 SER N N 115.725 . . 104 33 33 GLY H H 8.433 . . 105 33 33 GLY HA2 H 3.9943 . . 106 33 33 GLY HA3 H 3.9943 . . 107 33 33 GLY CA C 45.615 . . 108 33 33 GLY N N 110.906 . . 109 37 37 ARG H H 8.394 . . 110 37 37 ARG HA H 4.2872 . . 111 37 37 ARG CA C 56.475 . . 112 37 37 ARG CB C 33.081 . . 113 37 37 ARG N N 121.306 . . 114 41 41 PRO CA C 63.616 . . 115 41 41 PRO CB C 32.091 . . 116 42 42 SER H H 8.388 . . 117 42 42 SER HA H 4.4403 . . 118 42 42 SER CA C 58.82 . . 119 42 42 SER CB C 64.165 . . 120 42 42 SER N N 116.28 . . 121 43 43 GLY H H 8.473 . . 122 43 43 GLY HA2 H 3.9575 . . 123 43 43 GLY HA3 H 3.9575 . . 124 43 43 GLY CA C 45.583 . . 125 43 43 GLY N N 110.869 . . 126 44 44 GLY HA2 H 3.8889 . . 127 44 44 GLY HA3 H 3.8889 . . 128 45 45 GLY H H 8.105 . . 129 45 45 GLY HA2 H 3.8293 . . 130 45 45 GLY HA3 H 3.8293 . . 131 45 45 GLY CA C 41.199 . . 132 45 45 GLY N N 108.303 . . 133 49 49 GLY CA C 44.794 . . 134 50 50 GLN H H 8.435 . . 135 50 50 GLN HA H 4.2298 . . 136 50 50 GLN CA C 56.77 . . 137 50 50 GLN CB C 28.58 . . 138 50 50 GLN N N 125.536 . . 139 51 51 GLN H H 8.434 . . 140 51 51 GLN HA H 4.2245 . . 141 51 51 GLN CA C 56.674 . . 142 51 51 GLN CB C 28.705 . . 143 51 51 GLN N N 125.521 . . 144 52 52 ARG H H 8.432 . . 145 52 52 ARG HA H 4.2258 . . 146 52 52 ARG CA C 56.598 . . 147 52 52 ARG CB C 31.028 . . 148 52 52 ARG N N 125.499 . . 149 53 53 ALA H H 8.436 . . 150 53 53 ALA HA H 4.2242 . . 151 53 53 ALA CA C 52.865 . . 152 53 53 ALA CB C 19.324 . . 153 53 53 ALA N N 125.472 . . 154 54 54 GLY H H 8.301 . . 155 54 54 GLY HA2 H 3.8404 . . 156 54 54 GLY HA3 H 3.8404 . . 157 54 54 GLY CA C 45.559 . . 158 54 54 GLY N N 108.09 . . 159 55 55 ASP H H 8.071 . . 160 55 55 ASP HA H 4.8267 . . 161 55 55 ASP CA C 54.325 . . 162 55 55 ASP CB C 41.176 . . 163 55 55 ASP N N 120.315 . . 164 56 56 TRP H H 7.946 . . 165 56 56 TRP HA H 4.5213 . . 166 56 56 TRP CA C 57.845 . . 167 56 56 TRP CB C 29.467 . . 168 56 56 TRP N N 121.59 . . 169 57 57 LYS H H 7.822 . . 170 57 57 LYS HA H 4.1382 . . 171 57 57 LYS CA C 56.114 . . 172 57 57 LYS CB C 33.367 . . 173 57 57 LYS N N 123.415 . . 174 58 58 CYS H H 8.033 . . 175 58 58 CYS HA H 4.5216 . . 176 58 58 CYS CA C 56.369 . . 177 58 58 CYS CB C 27.506 . . 178 58 58 CYS N N 121.747 . . 179 59 59 PRO CA C 63.27 . . 180 59 59 PRO CB C 32.094 . . 181 60 60 ASN H H 8.378 . . 182 60 60 ASN HA H 4.5904 . . 183 60 60 ASN CA C 54.5 . . 184 60 60 ASN CB C 41.49 . . 185 60 60 ASN N N 120.578 . . 186 61 61 PRO CA C 63.937 . . 187 61 61 PRO CB C 32.309 . . 188 62 62 THR H H 8.177 . . 189 62 62 THR HA H 4.3109 . . 190 62 62 THR CA C 62.347 . . 191 62 62 THR CB C 70.082 . . 192 62 62 THR N N 113.4 . . 193 63 63 CYS H H 8.188 . . 194 63 63 CYS HA H 4.4611 . . 195 63 63 CYS CA C 58.953 . . 196 63 63 CYS CB C 28.128 . . 197 63 63 CYS N N 120.625 . . 198 64 64 GLU H H 8.424 . . 199 64 64 GLU HA H 4.3688 . . 200 64 64 GLU CA C 57.31 . . 201 64 64 GLU CB C 30.224 . . 202 64 64 GLU N N 122.918 . . 203 65 65 ASN H H 8.335 . . 204 65 65 ASN HA H 4.6831 . . 205 65 65 ASN CA C 53.543 . . 206 65 65 ASN CB C 38.907 . . 207 65 65 ASN N N 118.979 . . 208 66 66 MET H H 8.174 . . 209 66 66 MET HA H 4.5589 . . 210 66 66 MET CA C 56.0531 . . 211 66 66 MET CB C 32.682 . . 212 66 66 MET N N 120.416 . . 213 67 67 ASN H H 8.214 . . 214 67 67 ASN HA H 4.5923 . . 215 67 67 ASN CA C 53.5 . . 216 67 67 ASN CB C 38.899 . . 217 67 67 ASN N N 118.989 . . 218 68 68 PHE H H 8.045 . . 219 68 68 PHE HA H 4.5166 . . 220 68 68 PHE CA C 58.205 . . 221 68 68 PHE CB C 39.465 . . 222 68 68 PHE N N 120.493 . . 223 69 69 SER H H 8.115 . . 224 69 69 SER HA H 4.3227 . . 225 69 69 SER CA C 59.049 . . 226 69 69 SER CB C 63.889 . . 227 69 69 SER N N 116.96 . . 228 70 70 TRP H H 8.372 . . 229 70 70 TRP HA H 4.2839 . . 230 70 70 TRP CA C 57.046 . . 231 70 70 TRP CB C 30.565 . . 232 70 70 TRP N N 122.342 . . 233 71 71 ARG H H 7.762 . . 234 71 71 ARG HA H 4.0823 . . 235 71 71 ARG CA C 56.657 . . 236 71 71 ARG CB C 30.776 . . 237 71 71 ARG N N 121.588 . . 238 72 72 ASN H H 8.12 . . 239 72 72 ASN HA H 4.5731 . . 240 72 72 ASN CA C 53.678 . . 241 72 72 ASN CB C 39.033 . . 242 72 72 ASN N N 119.091 . . 243 73 73 GLU H H 8.416 . . 244 73 73 GLU HA H 4.3273 . . 245 73 73 GLU CA C 57.541 . . 246 73 73 GLU CB C 29.944 . . 247 73 73 GLU N N 120.796 . . 248 74 74 CYS H H 8.266 . . 249 74 74 CYS HA H 4.4679 . . 250 74 74 CYS CA C 59.175 . . 251 74 74 CYS CB C 27.964 . . 252 74 74 CYS N N 119.281 . . 253 75 75 ASN H H 8.372 . . 254 75 75 ASN HA H 4.5868 . . 255 75 75 ASN CA C 53.747 . . 256 75 75 ASN CB C 38.976 . . 257 75 75 ASN N N 120.734 . . 258 76 76 GLN H H 8.287 . . 259 76 76 GLN HA H 4.2933 . . 260 76 76 GLN CA C 56.527 . . 261 76 76 GLN CB C 29.307 . . 262 76 76 GLN N N 119.995 . . 263 77 77 CYS H H 8.296 . . 264 77 77 CYS HA H 4.3658 . . 265 77 77 CYS CA C 58.929 . . 266 77 77 CYS CB C 27.942 . . 267 77 77 CYS N N 120.1381 . . 268 78 78 LYS H H 8.311 . . 269 78 78 LYS HA H 4.2353 . . 270 78 78 LYS CA C 56.253 . . 271 78 78 LYS CB C 33.222 . . 272 78 78 LYS N N 123.853 . . 273 79 79 ALA H H 8.156 . . 274 79 79 ALA HA H 4.5303 . . 275 79 79 ALA CA C 50.636 . . 276 79 79 ALA CB C 18.414 . . 277 79 79 ALA N N 126.358 . . 278 80 80 PRO CA C 63.609 . . 279 80 80 PRO CB C 32.34 . . 280 81 81 LYS H H 8.494 . . 281 81 81 LYS HA H 4.4311 . . 282 81 81 LYS CA C 55.91 . . 283 81 81 LYS CB C 32.99 . . 284 81 81 LYS N N 120.141 . . 285 82 82 PRO CA C 63.086 . . 286 82 82 PRO CB C 32.878 . . 287 83 83 ASP H H 8.48 . . 288 83 83 ASP HA H 4.5797 . . 289 83 83 ASP CA C 54.74 . . 290 83 83 ASP CB C 41.547 . . 291 83 83 ASP N N 120.709 . . 292 84 84 GLY H H 8.066 . . 293 84 84 GLY HA2 H 4.0764 . . 294 84 84 GLY HA3 H 4.0764 . . 295 84 84 GLY CA C 44.857 . . 296 84 84 GLY N N 108.673 . . 297 85 85 PRO HA H 4.4048 . . 298 85 85 PRO CA C 63.95 . . 299 85 85 PRO CB C 32.187 . . 300 86 86 GLY H H 8.556 . . 301 86 86 GLY HA2 H 3.9331 . . 302 86 86 GLY HA3 H 3.9331 . . 303 86 86 GLY CA C 45.606 . . 304 86 86 GLY N N 109.574 . . 305 87 87 GLY H H 8.206 . . 306 87 87 GLY HA2 H 3.9507 . . 307 87 87 GLY HA3 H 3.9507 . . 308 87 87 GLY CA C 45.4 . . 309 87 87 GLY N N 108.497 . . 310 89 89 PRO HA H 4.3995 . . 311 89 89 PRO CA C 63.723 . . 312 89 89 PRO CB C 32.234 . . 313 90 90 GLY H H 8.492 . . 314 90 90 GLY HA2 H 3.9235 . . 315 90 90 GLY HA3 H 3.9235 . . 316 90 90 GLY CA C 45.464 . . 317 90 90 GLY N N 109.467 . . 318 91 91 GLY HA2 H 3.9341 . . 319 91 91 GLY HA3 H 3.9341 . . 320 91 91 GLY CA C 45.452 . . 321 92 92 SER H H 8.146 . . 322 92 92 SER HA H 4.367 . . 323 92 92 SER CA C 58.744 . . 324 92 92 SER CB C 64.148 . . 325 92 92 SER N N 115.271 . . 326 93 93 HIS H H 8.373 . . 327 93 93 HIS HA H 4.7669 . . 328 93 93 HIS CA C 56.81 . . 329 93 93 HIS CB C 29.89 . . 330 93 93 HIS N N 122.387 . . 331 94 94 MET H H 8.357 . . 332 94 94 MET HA H 4.5995 . . 333 94 94 MET CA C 55.993 . . 334 94 94 MET CB C 33.019 . . 335 94 94 MET N N 119.15 . . 336 95 95 GLY H H 8.2593 . . 337 95 95 GLY HA2 H 3.9138 . . 338 95 95 GLY HA3 H 3.9138 . . 339 95 95 GLY CA C 45.591 . . 340 95 95 GLY N N 109.859 . . 341 96 96 GLY H H 8.235 . . 342 96 96 GLY HA2 H 3.9356 . . 343 96 96 GLY HA3 H 3.9356 . . 344 96 96 GLY CA C 45.559 . . 345 96 96 GLY N N 108.584 . . 346 97 97 ASN H H 8.387 . . 347 97 97 ASN HA H 4.7064 . . 348 97 97 ASN CA C 53.42 . . 349 97 97 ASN CB C 39.09 . . 350 97 97 ASN N N 118.54 . . 351 98 98 TYR H H 8.197 . . 352 98 98 TYR HA H 4.4719 . . 353 98 98 TYR CA C 58.67 . . 354 98 98 TYR CB C 38.903 . . 355 98 98 TYR N N 120.857 . . 356 99 99 GLY H H 8.405 . . 357 99 99 GLY HA2 H 3.8895 . . 358 99 99 GLY HA3 H 3.8895 . . 359 99 99 GLY CA C 45.569 . . 360 99 99 GLY N N 111.373 . . 361 100 100 ASP H H 8.251 . . 362 100 100 ASP HA H 4.5721 . . 363 100 100 ASP CA C 54.706 . . 364 100 100 ASP CB C 41.424 . . 365 100 100 ASP N N 120.344 . . 366 101 101 ASP H H 8.355 . . 367 101 101 ASP HA H 4.5115 . . 368 101 101 ASP CA C 54.748 . . 369 101 101 ASP CB C 41.072 . . 370 101 101 ASP N N 120.985 . . 371 102 102 ARG H H 8.375 . . 372 102 102 ARG HA H 4.285 . . 373 102 102 ARG CA C 56.414 . . 374 102 102 ARG CB C 30.548 . . 375 102 102 ARG N N 121.502 . . 376 103 103 ARG H H 8.207 . . 377 103 103 ARG HA H 4.269 . . 378 103 103 ARG CA C 56.721 . . 379 103 103 ARG CB C 30.608 . . 380 103 103 ARG N N 120.619 . . 381 104 104 GLY H H 8.414 . . 382 104 104 GLY HA2 H 3.9002 . . 383 104 104 GLY HA3 H 3.9002 . . 384 104 104 GLY CA C 45.723 . . 385 104 104 GLY N N 109.324 . . 386 105 105 GLY HA2 H 3.8772 . . 387 105 105 GLY HA3 H 3.8772 . . 388 106 106 ARG H H 8.246 . . 389 106 106 ARG HA H 4.3284 . . 390 106 106 ARG CA C 56.457 . . 391 106 106 ARG CB C 30.866 . . 392 106 106 ARG N N 120.654 . . 393 107 107 GLY H H 8.415 . . 394 107 107 GLY HA2 H 3.9022 . . 395 107 107 GLY HA3 H 3.9022 . . 396 107 107 GLY CA C 45.68 . . 397 107 107 GLY N N 109.846 . . 398 108 108 GLY H H 8.49 . . 399 108 108 GLY HA2 H 3.9322 . . 400 108 108 GLY HA3 H 3.9322 . . 401 108 108 GLY CA C 45.455 . . 402 108 108 GLY N N 110.131 . . 403 109 109 TYR H H 8.029 . . 404 109 109 TYR HA H 4.5099 . . 405 109 109 TYR CA C 58.25 . . 406 109 109 TYR CB C 38.991 . . 407 109 109 TYR N N 119.886 . . 408 110 110 ASP H H 8.302 . . 409 110 110 ASP HA H 4.5939 . . 410 110 110 ASP CA C 54.597 . . 411 110 110 ASP CB C 41.368 . . 412 110 110 ASP N N 122.082 . . 413 111 111 ARG H H 8.223 . . 414 111 111 ARG HA H 4.237 . . 415 111 111 ARG CA C 56.695 . . 416 111 111 ARG CB C 30.534 . . 417 111 111 ARG N N 121.961 . . 418 112 112 GLY H H 8.373 . . 419 112 112 GLY HA2 H 3.9519 . . 420 112 112 GLY HA3 H 3.9519 . . 421 112 112 GLY CA C 45.584 . . 422 112 112 GLY N N 109.611 . . 423 113 113 GLY HA2 H 3.8939 . . 424 113 113 GLY HA3 H 3.8939 . . 425 113 113 GLY CA C 45.421 . . 426 114 114 TYR H H 8.121 . . 427 114 114 TYR HA H 4.5383 . . 428 114 114 TYR CA C 58.754 . . 429 114 114 TYR CB C 38.89 . . 430 114 114 TYR N N 120.552 . . 431 115 115 ARG H H 8.275 . . 432 115 115 ARG HA H 4.2201 . . 433 115 115 ARG CA C 56.26 . . 434 115 115 ARG CB C 30.778 . . 435 115 115 ARG N N 123.795 . . 436 116 116 GLY H H 7.685 . . 437 116 116 GLY HA2 H 3.8657 . . 438 116 116 GLY HA3 H 3.8657 . . 439 116 116 GLY CA C 45.395 . . 440 116 116 GLY N N 108.816 . . 441 117 117 ARG H H 8.299 . . 442 117 117 ARG HA H 4.3323 . . 443 117 117 ARG CA C 56.45 . . 444 117 117 ARG CB C 30.894 . . 445 117 117 ARG N N 120.576 . . 446 118 118 GLY H H 8.451 . . 447 118 118 GLY HA2 H 3.922 . . 448 118 118 GLY HA3 H 3.922 . . 449 118 118 GLY CA C 45.543 . . 450 118 118 GLY N N 109.836 . . 451 119 119 GLY HA2 H 3.9297 . . 452 119 119 GLY HA3 H 3.9297 . . 453 119 119 GLY CA C 45.56 . . 454 120 120 ASP H H 8.239 . . 455 120 120 ASP HA H 4.5571 . . 456 120 120 ASP CA C 54.95 . . 457 120 120 ASP CB C 41.456 . . 458 120 120 ASP N N 120.598 . . 459 121 121 ARG H H 8.369 . . 460 121 121 ARG HA H 4.2873 . . 461 121 121 ARG CA C 56.37 . . 462 121 121 ARG CB C 30.543 . . 463 121 121 ARG N N 121.361 . . 464 122 122 GLY H H 7.794 . . 465 122 122 GLY HA2 H 3.8588 . . 466 122 122 GLY HA3 H 3.8588 . . 467 122 122 GLY CA C 45.55 . . 468 122 122 GLY N N 109.081 . . 469 123 123 GLY H H 7.897 . . 470 123 123 GLY HA2 H 3.8767 . . 471 123 123 GLY HA3 H 3.8767 . . 472 123 123 GLY CA C 45.4 . . 473 123 123 GLY N N 108.265 . . 474 124 124 PHE H H 8.268 . . 475 124 124 PHE HA H 4.6651 . . 476 124 124 PHE CA C 57.413 . . 477 124 124 PHE CB C 39.0579 . . 478 124 124 PHE N N 118.757 . . 479 125 125 ARG H H 8.347 . . 480 125 125 ARG HA H 4.3651 . . 481 125 125 ARG CA C 56.084 . . 482 125 125 ARG CB C 30.0215 . . 483 125 125 ARG N N 121.326 . . 484 128 128 ARG H H 8.409 . . 485 128 128 ARG HA H 4.2428 . . 486 128 128 ARG CA C 56.535 . . 487 128 128 ARG CB C 30.415 . . 488 128 128 ARG N N 121.639 . . 489 133 133 ARG H H 8.35 . . 490 133 133 ARG HA H 4.2411 . . 491 133 133 ARG CA C 57.395 . . 492 133 133 ARG CB C 32.95 . . 493 133 133 ARG N N 118.622 . . 494 134 134 GLY H H 8.439 . . 495 134 134 GLY HA2 H 3.9532 . . 496 134 134 GLY HA3 H 3.9532 . . 497 134 134 GLY CA C 45.45 . . 498 134 134 GLY N N 110.2325 . . 499 135 135 GLY H H 8.16 . . 500 135 135 GLY HA2 H 3.8791 . . 501 135 135 GLY HA3 H 3.8791 . . 502 135 135 GLY CA C 45.298 . . 503 135 135 GLY N N 108.5 . . 504 136 136 PHE H H 8.102 . . 505 136 136 PHE HA H 4.6277 . . 506 136 136 PHE CA C 57.745 . . 507 136 136 PHE CB C 40.176 . . 508 136 136 PHE N N 119.514 . . 509 137 137 GLY H H 8.251 . . 510 137 137 GLY HA2 H 4.0334 . . 511 137 137 GLY HA3 H 4.0334 . . 512 137 137 GLY CA C 45.574 . . 513 137 137 GLY N N 110.326 . . 514 138 138 PRO CA C 63.164 . . 515 138 138 PRO CB C 32.752 . . 516 139 139 GLY H H 8.589 . . 517 139 139 GLY HA2 H 3.9666 . . 518 139 139 GLY HA3 H 3.9666 . . 519 139 139 GLY CA C 45.339 . . 520 139 139 GLY N N 110.468 . . 521 140 140 LYS H H 8.11 . . 522 140 140 LYS HA H 4.2922 . . 523 140 140 LYS CA C 56.466 . . 524 140 140 LYS CB C 33.323 . . 525 140 140 LYS N N 120.774 . . 526 141 141 MET H H 8.463 . . 527 141 141 MET HA H 4.3022 . . 528 141 141 MET CA C 55.789 . . 529 141 141 MET CB C 33.147 . . 530 141 141 MET N N 121.69 . . 531 142 142 ASP H H 8.314 . . 532 142 142 ASP HA H 4.6004 . . 533 142 142 ASP CA C 54.5 . . 534 142 142 ASP CB C 41.597 . . 535 142 142 ASP N N 121.897 . . 536 143 143 SER H H 8.345 . . 537 143 143 SER HA H 4.3918 . . 538 143 143 SER CA C 59.051 . . 539 143 143 SER CB C 63.914 . . 540 143 143 SER N N 117.236 . . 541 144 144 ARG H H 8.37 . . 542 144 144 ARG HA H 4.2822 . . 543 144 144 ARG CA C 57.035 . . 544 144 144 ARG CB C 30.605 . . 545 144 144 ARG N N 122.483 . . 546 145 145 GLY H H 8.266 . . 547 145 145 GLY HA2 H 3.9075 . . 548 145 145 GLY HA3 H 3.9075 . . 549 145 145 GLY CA C 45.588 . . 550 145 145 GLY N N 108.91 . . 551 146 146 GLU H H 8.244 . . 552 146 146 GLU HA H 4.269 . . 553 146 146 GLU CA C 56.232 . . 554 146 146 GLU CB C 29.11 . . 555 146 146 GLU N N 119.737 . . 556 147 147 HIS H H 8.578 . . 557 147 147 HIS HA H 4.6985 . . 558 147 147 HIS CA C 55.411 . . 559 147 147 HIS CB C 28.953 . . 560 147 147 HIS N N 119.663 . . 561 148 148 ARG H H 8.358 . . 562 148 148 ARG HA H 4.2681 . . 563 148 148 ARG CA C 56.567 . . 564 148 148 ARG CB C 31.057 . . 565 148 148 ARG N N 122.771 . . 566 149 149 GLN H H 8.571 . . 567 149 149 GLN HA H 4.2811 . . 568 149 149 GLN CA C 56.322 . . 569 149 149 GLN CB C 29.531 . . 570 149 149 GLN N N 121.631 . . 571 150 150 ASP H H 8.355 . . 572 150 150 ASP HA H 4.5556 . . 573 150 150 ASP CA C 54.617 . . 574 150 150 ASP CB C 41.371 . . 575 150 150 ASP N N 121.837 . . 576 151 151 ARG H H 8.251 . . 577 151 151 ARG HA H 4.2951 . . 578 151 151 ARG CA C 56.382 . . 579 151 151 ARG CB C 30.683 . . 580 151 151 ARG N N 121.696 . . 581 152 152 ARG H H 8.349 . . 582 152 152 ARG HA H 4.2361 . . 583 152 152 ARG CA C 56.286 . . 584 152 152 ARG CB C 30.764 . . 585 152 152 ARG N N 123.819 . . 586 153 153 GLU H H 8.359 . . 587 153 153 GLU HA H 4.2393 . . 588 153 153 GLU CA C 56.849 . . 589 153 153 GLU CB C 30.598 . . 590 153 153 GLU N N 122.594 . . 591 154 154 ARG H H 8.172 . . 592 154 154 ARG HA H 4.5671 . . 593 154 154 ARG CA C 54.014 . . 594 154 154 ARG CB C 30.765 . . 595 154 154 ARG N N 122.01 . . 596 155 155 PRO HA H 4.3653 . . 597 155 155 PRO CA C 63.747 . . 598 155 155 PRO CB C 31.829 . . 599 156 156 TYR H H 7.43 . . 600 156 156 TYR HA H 4.3653 . . 601 156 156 TYR CA C 59.182 . . 602 156 156 TYR CB C 39.383 . . 603 156 156 TYR N N 123.715 . . stop_ save_