data_50017 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the hnRNPA1 LCD (deltaHexa construct) ; _BMRB_accession_number 50017 _BMRB_flat_file_name bmr50017.str _Entry_type original _Submission_date 2019-09-13 _Accession_date 2019-09-13 _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 Peran Ivan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 125 "13C chemical shifts" 325 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-20 original BMRB . stop_ _Original_release_date 2019-09-13 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Valence and Patterning of Aromatic Residues Determine the Phase Behavior of Prion-Like Domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32029630 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin Erik W. . 2 Holehouse Alex S. . 3 Peran Ivan . . 4 Farag Mina . . 5 Incicco 'J. Jeremias' . . 6 Bremer Anne . . 7 Grace Christy R. . 8 Soranno Andrea . . 9 Pappu Rohit V. . 10 Mittag Tanja . . stop_ _Journal_abbreviation Science _Journal_name_full 'Science (New York, N.Y.)' _Journal_volume 367 _Journal_issue 6478 _Journal_ISSN 1095-9203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 694 _Page_last 699 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Intrinsically disordered low complexity region of the hnRNPA1 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Low complexity region (LCD)' $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 'A1 LCD (deltahexa)' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GSMASASSSQRGRSGSGNFG GGRGGGFGGNDNFGRGGNFS GRGGFGGSRGGGGYGGSGDG YNGFGNDGSNFGGGGNYNNQ SSNFGPMKGGNFGGRSSGPY GGGGQYFAKPRNQGGYGGSS SSSSYGSGRRF ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 ALA 5 SER 6 ALA 7 SER 8 SER 9 SER 10 GLN 11 ARG 12 GLY 13 ARG 14 SER 15 GLY 16 SER 17 GLY 18 ASN 19 PHE 20 GLY 21 GLY 22 GLY 23 ARG 24 GLY 25 GLY 26 GLY 27 PHE 28 GLY 29 GLY 30 ASN 31 ASP 32 ASN 33 PHE 34 GLY 35 ARG 36 GLY 37 GLY 38 ASN 39 PHE 40 SER 41 GLY 42 ARG 43 GLY 44 GLY 45 PHE 46 GLY 47 GLY 48 SER 49 ARG 50 GLY 51 GLY 52 GLY 53 GLY 54 TYR 55 GLY 56 GLY 57 SER 58 GLY 59 ASP 60 GLY 61 TYR 62 ASN 63 GLY 64 PHE 65 GLY 66 ASN 67 ASP 68 GLY 69 SER 70 ASN 71 PHE 72 GLY 73 GLY 74 GLY 75 GLY 76 ASN 77 TYR 78 ASN 79 ASN 80 GLN 81 SER 82 SER 83 ASN 84 PHE 85 GLY 86 PRO 87 MET 88 LYS 89 GLY 90 GLY 91 ASN 92 PHE 93 GLY 94 GLY 95 ARG 96 SER 97 SER 98 GLY 99 PRO 100 TYR 101 GLY 102 GLY 103 GLY 104 GLY 105 GLN 106 TYR 107 PHE 108 ALA 109 LYS 110 PRO 111 ARG 112 ASN 113 GLN 114 GLY 115 GLY 116 TYR 117 GLY 118 GLY 119 SER 120 SER 121 SER 122 SER 123 SER 124 SER 125 TYR 126 GLY 127 SER 128 GLY 129 ARG 130 ARG 131 PHE 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' . . . . plasmid pDEST17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'hnRNPA1 LCD (deltahexa construct): 50 mM MES, pH 5.5, 10% D2O, temp=25 C [protein]~0.8mM.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 836 uM 'natural abundance' D2O 10 % 'natural abundance' DSS 200 uM 'natural abundance' H2O 90 % 'natural abundance' MES 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . 'Keller and Wuthrich' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Equipped with TCI triple-resonance cryogenic probes and pulse-field gradient units' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_NH(CA)NNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NH(CA)NNH' _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 pH 5.5 . 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 . 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 _Correction_value DSS C 13 'methyl protons' ppm 0 internal indirect . . . . . DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 0.08 DSS N 15 'methyl protons' ppm 0 internal indirect . . . . . 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 '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D NH(CA)NNH' 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 'Low complexity region (LCD)' _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 MET H H 8.494 0.020 1 2 3 3 MET C C 176.368 0.3 1 3 3 3 MET CA C 55.763 0.3 1 4 3 3 MET CB C 33.003 0.3 1 5 3 3 MET N N 123.511 0.3 1 6 4 4 ALA H H 8.299 0.020 1 7 4 4 ALA C C 178.063 0.3 1 8 4 4 ALA CA C 52.938 0.3 1 9 4 4 ALA CB C 19.273 0.3 1 10 4 4 ALA N N 126.476 0.3 1 11 5 5 SER H H 8.184 0.020 1 12 5 5 SER C C 174.844 0.3 1 13 5 5 SER CA C 58.516 0.3 1 14 5 5 SER CB C 64.083 0.3 1 15 5 5 SER N N 115.991 0.3 1 16 6 6 ALA H H 8.280 0.020 1 17 6 6 ALA C C 178.279 0.3 1 18 6 6 ALA CA C 53.012 0.3 1 19 6 6 ALA CB C 19.328 0.3 1 20 6 6 ALA N N 127.013 0.3 1 21 7 7 SER H H 8.199 0.020 1 22 7 7 SER C C 175.264 0.3 1 23 7 7 SER CA C 58.852 0.3 1 24 7 7 SER CB C 63.903 0.3 1 25 7 7 SER N N 115.561 0.3 1 26 8 8 SER H H 8.227 0.020 1 27 8 8 SER C C 174.968 0.3 1 28 8 8 SER CA C 58.903 0.3 1 29 8 8 SER CB C 63.907 0.3 1 30 8 8 SER N N 118.537 0.3 1 31 9 9 SER H H 8.203 0.020 1 32 9 9 SER C C 174.914 0.3 1 33 9 9 SER CA C 58.881 0.3 1 34 9 9 SER CB C 63.923 0.3 1 35 9 9 SER N N 118.376 0.3 1 36 10 10 GLN H H 8.194 0.020 1 37 10 10 GLN C C 176.332 0.3 1 38 10 10 GLN CA C 56.345 0.3 1 39 10 10 GLN CB C 29.329 0.3 1 40 10 10 GLN N N 122.804 0.3 1 41 11 11 ARG H H 8.194 0.020 1 42 11 11 ARG C C 177.093 0.3 1 43 11 11 ARG CA C 56.655 0.3 1 44 11 11 ARG CB C 30.849 0.3 1 45 11 11 ARG N N 122.695 0.3 1 46 12 12 GLY H H 8.313 0.020 1 47 12 12 GLY C C 174.337 0.3 1 48 12 12 GLY CA C 45.392 0.3 1 49 12 12 GLY N N 110.706 0.3 1 50 13 13 ARG H H 8.118 0.020 1 51 13 13 ARG C C 176.779 0.3 1 52 13 13 ARG CA C 56.335 0.3 1 53 13 13 ARG CB C 31.065 0.3 1 54 13 13 ARG N N 121.362 0.3 1 55 14 14 SER H H 8.332 0.020 1 56 14 14 SER C C 175.274 0.3 1 57 14 14 SER CA C 58.772 0.3 1 58 14 14 SER CB C 64.053 0.3 1 59 14 14 SER N N 117.925 0.3 1 60 15 15 GLY H H 8.363 0.020 1 61 15 15 GLY C C 174.471 0.3 1 62 15 15 GLY CA C 45.511 0.3 1 63 15 15 GLY N N 111.858 0.3 1 64 16 16 SER H H 8.184 0.020 1 65 16 16 SER C C 175.272 0.3 1 66 16 16 SER CA C 58.724 0.3 1 67 16 16 SER CB C 64.217 0.3 1 68 16 16 SER N N 116.335 0.3 1 69 17 17 GLY H H 8.332 0.020 1 70 17 17 GLY C C 173.905 0.3 1 71 17 17 GLY CA C 45.373 0.3 1 72 17 17 GLY N N 111.350 0.3 1 73 18 18 ASN H H 8.117 0.020 1 74 18 18 ASN C C 175.229 0.3 1 75 18 18 ASN CA C 53.258 0.3 1 76 18 18 ASN CB C 38.904 0.3 1 77 18 18 ASN N N 119.407 0.3 1 78 19 19 PHE H H 8.205 0.020 1 79 19 19 PHE C C 176.596 0.3 1 80 19 19 PHE CA C 58.028 0.3 1 81 19 19 PHE CB C 39.453 0.3 1 82 19 19 PHE N N 121.683 0.3 1 83 20 20 GLY H H 8.289 0.020 1 84 20 20 GLY C C 174.967 0.3 1 85 20 20 GLY CA C 45.609 0.3 1 86 20 20 GLY N N 111.500 0.3 1 87 21 21 GLY H H 7.970 0.020 1 88 21 21 GLY C C 174.984 0.3 1 89 21 21 GLY CA C 45.516 0.3 1 90 21 21 GLY N N 109.287 0.3 1 91 22 22 GLY H H 8.197 0.020 1 92 22 22 GLY C C 174.536 0.3 1 93 22 22 GLY CA C 45.422 0.3 1 94 22 22 GLY N N 109.481 0.3 1 95 23 23 ARG H H 8.184 0.020 1 96 23 23 ARG C C 177.219 0.3 1 97 23 23 ARG CA C 56.347 0.3 1 98 23 23 ARG CB C 30.991 0.3 1 99 23 23 ARG N N 121.234 0.3 1 100 24 24 GLY H H 8.389 0.020 1 101 24 24 GLY C C 174.856 0.3 1 102 24 24 GLY CA C 45.369 0.3 1 103 24 24 GLY N N 110.727 0.3 1 104 25 25 GLY H H 8.168 0.020 1 105 25 25 GLY C C 174.881 0.3 1 106 25 25 GLY CA C 45.366 0.3 1 107 25 25 GLY N N 109.416 0.3 1 108 26 26 GLY H H 8.142 0.020 1 109 26 26 GLY C C 174.197 0.3 1 110 26 26 GLY CA C 45.346 0.3 1 111 26 26 GLY N N 109.268 0.3 1 112 27 27 PHE H H 8.103 0.020 1 113 27 27 PHE C C 176.657 0.3 1 114 27 27 PHE CA C 58.019 0.3 1 115 27 27 PHE CB C 39.747 0.3 1 116 27 27 PHE N N 120.786 0.3 1 117 28 28 GLY H H 8.362 0.020 1 118 28 28 GLY C C 174.790 0.3 1 119 28 28 GLY CA C 45.492 0.3 1 120 28 28 GLY N N 111.781 0.3 1 121 29 29 GLY H H 7.897 0.020 1 122 29 29 GLY C C 174.186 0.3 1 123 29 29 GLY CA C 45.370 0.3 1 124 29 29 GLY N N 109.104 0.3 1 125 30 30 ASN H H 8.251 0.020 1 126 30 30 ASN C C 175.271 0.3 1 127 30 30 ASN CA C 53.511 0.3 1 128 30 30 ASN CB C 39.173 0.3 1 129 30 30 ASN N N 119.321 0.3 1 130 31 31 ASP H H 8.237 0.020 1 131 31 31 ASP C C 176.263 0.3 1 132 31 31 ASP CA C 54.646 0.3 1 133 31 31 ASP CB C 41.219 0.3 1 134 31 31 ASP N N 121.298 0.3 1 135 32 32 ASN H H 8.208 0.020 1 136 32 32 ASN C C 175.471 0.3 1 137 32 32 ASN CA C 53.545 0.3 1 138 32 32 ASN CB C 38.883 0.3 1 139 32 32 ASN N N 119.257 0.3 1 140 33 33 PHE H H 8.117 0.020 1 141 33 33 PHE C C 176.654 0.3 1 142 33 33 PHE CA C 58.434 0.3 1 143 33 33 PHE CB C 39.128 0.3 1 144 33 33 PHE N N 120.546 0.3 1 145 34 34 GLY H H 8.165 0.020 1 146 34 34 GLY C C 174.595 0.3 1 147 34 34 GLY CA C 45.613 0.3 1 148 34 34 GLY N N 110.577 0.3 1 149 35 35 ARG H H 8.022 0.020 1 150 35 35 ARG C C 177.156 0.3 1 151 35 35 ARG CA C 56.355 0.3 1 152 35 35 ARG CB C 30.748 0.3 1 153 35 35 ARG N N 121.062 0.3 1 154 36 36 GLY H H 8.365 0.020 1 155 36 36 GLY C C 174.780 0.3 1 156 36 36 GLY CA C 45.495 0.3 1 157 36 36 GLY N N 110.405 0.3 1 158 37 37 GLY H H 8.108 0.020 1 159 37 37 GLY C C 174.002 0.3 1 160 37 37 GLY CA C 45.345 0.3 1 161 37 37 GLY N N 109.137 0.3 1 162 38 38 ASN H H 8.176 0.020 1 163 38 38 ASN C C 175.267 0.3 1 164 38 38 ASN CA C 53.294 0.3 1 165 38 38 ASN CB C 38.887 0.3 1 166 38 38 ASN N N 119.344 0.3 1 167 39 39 PHE H H 8.160 0.020 1 168 39 39 PHE C C 176.158 0.3 1 169 39 39 PHE CA C 58.008 0.3 1 170 39 39 PHE CB C 39.467 0.3 1 171 39 39 PHE N N 121.642 0.3 1 172 40 40 SER H H 8.165 0.020 1 173 40 40 SER C C 175.159 0.3 1 174 40 40 SER CA C 58.874 0.3 1 175 40 40 SER CB C 63.953 0.3 1 176 40 40 SER N N 117.992 0.3 1 177 41 41 GLY H H 7.927 0.020 1 178 41 41 GLY C C 174.376 0.3 1 179 41 41 GLY CA C 45.613 0.3 1 180 41 41 GLY N N 111.157 0.3 1 181 42 42 ARG H H 8.074 0.020 1 182 42 42 ARG C C 177.069 0.3 1 183 42 42 ARG CA C 56.351 0.3 1 184 42 42 ARG CB C 31.021 0.3 1 185 42 42 ARG N N 121.171 0.3 1 186 43 43 GLY H H 8.356 0.020 1 187 43 43 GLY C C 174.622 0.3 1 188 43 43 GLY CA C 45.377 0.3 1 189 43 43 GLY N N 110.641 0.3 1 190 44 44 GLY H H 8.048 0.020 1 191 44 44 GLY C C 174.215 0.3 1 192 44 44 GLY CA C 45.345 0.3 1 193 44 44 GLY N N 109.158 0.3 1 194 45 45 PHE H H 8.103 0.020 1 195 45 45 PHE C C 176.658 0.3 1 196 45 45 PHE CA C 58.059 0.3 1 197 45 45 PHE CB C 39.736 0.3 1 198 45 45 PHE N N 120.824 0.3 1 199 46 46 GLY H H 8.352 0.020 1 200 46 46 GLY C C 174.811 0.3 1 201 46 46 GLY CA C 45.515 0.3 1 202 46 46 GLY N N 111.768 0.3 1 203 47 47 GLY H H 7.874 0.020 1 204 47 47 GLY C C 174.506 0.3 1 205 47 47 GLY CA C 45.392 0.3 1 206 47 47 GLY N N 109.266 0.3 1 207 48 48 SER H H 8.166 0.020 1 208 48 48 SER C C 175.091 0.3 1 209 48 48 SER CA C 58.835 0.3 1 210 48 48 SER CB C 64.029 0.3 1 211 48 48 SER N N 116.564 0.3 1 212 49 49 ARG H H 8.351 0.020 1 213 49 49 ARG C C 177.038 0.3 1 214 49 49 ARG CA C 56.463 0.3 1 215 49 49 ARG CB C 30.734 0.3 1 216 49 49 ARG N N 123.490 0.3 1 217 50 50 GLY H H 8.246 0.020 1 218 50 50 GLY C C 174.845 0.3 1 219 50 50 GLY CA C 45.380 0.3 1 220 50 50 GLY N N 110.362 0.3 1 221 51 51 GLY H H 8.171 0.020 1 222 51 51 GLY C C 174.997 0.3 1 223 51 51 GLY CA C 45.375 0.3 1 224 51 51 GLY N N 109.560 0.3 1 225 52 52 GLY H H 8.218 0.020 1 226 52 52 GLY C C 174.783 0.3 1 227 52 52 GLY CA C 45.372 0.3 1 228 52 52 GLY N N 109.433 0.3 1 229 53 53 GLY H H 8.132 0.020 1 230 53 53 GLY C C 174.218 0.3 1 231 53 53 GLY CA C 45.349 0.3 1 232 53 53 GLY N N 109.307 0.3 1 233 54 54 TYR H H 8.050 0.020 1 234 54 54 TYR C C 176.720 0.3 1 235 54 54 TYR CA C 58.313 0.3 1 236 54 54 TYR CB C 38.896 0.3 1 237 54 54 TYR N N 120.990 0.3 1 238 55 55 GLY H H 8.346 0.020 1 239 55 55 GLY C C 174.811 0.3 1 240 55 55 GLY CA C 45.520 0.3 1 241 55 55 GLY N N 111.973 0.3 1 242 56 56 GLY H H 7.835 0.020 1 243 56 56 GLY C C 174.448 0.3 1 244 56 56 GLY CA C 45.372 0.3 1 245 56 56 GLY N N 109.263 0.3 1 246 57 57 SER H H 8.218 0.020 1 247 57 57 SER C C 175.349 0.3 1 248 57 57 SER CA C 58.855 0.3 1 249 57 57 SER CB C 64.217 0.3 1 250 57 57 SER N N 116.249 0.3 1 251 58 58 GLY H H 8.386 0.020 1 252 58 58 GLY C C 174.154 0.3 1 253 58 58 GLY CA C 45.630 0.3 1 254 58 58 GLY N N 111.732 0.3 1 255 59 59 ASP H H 8.103 0.020 1 256 59 59 ASP C C 176.666 0.3 1 257 59 59 ASP CA C 54.628 0.3 1 258 59 59 ASP CB C 41.369 0.3 1 259 59 59 ASP N N 120.896 0.3 1 260 60 60 GLY H H 8.176 0.020 1 261 60 60 GLY C C 174.836 0.3 1 262 60 60 GLY CA C 45.432 0.3 1 263 60 60 GLY N N 109.403 0.3 1 264 62 62 ASN H H 8.279 0.020 1 265 62 62 ASN C C 175.432 0.3 1 266 62 62 ASN CA C 53.264 0.3 1 267 62 62 ASN CB C 39.037 0.3 1 268 62 62 ASN N N 121.987 0.3 1 269 63 63 GLY H H 7.589 0.020 1 270 63 63 GLY C C 174.024 0.3 1 271 63 63 GLY CA C 45.493 0.3 1 272 63 63 GLY N N 108.973 0.3 1 273 64 64 PHE H H 7.980 0.020 1 274 64 64 PHE C C 176.534 0.3 1 275 64 64 PHE CA C 57.904 0.3 1 276 64 64 PHE CB C 39.181 0.3 1 277 64 64 PHE N N 120.314 0.3 1 278 65 65 GLY H H 8.313 0.020 1 279 65 65 GLY C C 174.185 0.3 1 280 65 65 GLY CA C 45.341 0.3 1 281 65 65 GLY N N 110.910 0.3 1 282 66 66 ASN H H 8.203 0.020 1 283 66 66 ASN C C 175.277 0.3 1 284 66 66 ASN CA C 53.519 0.3 1 285 66 66 ASN CB C 39.043 0.3 1 286 66 66 ASN N N 119.515 0.3 1 287 67 67 ASP H H 8.299 0.020 1 288 67 67 ASP C C 177.095 0.3 1 289 67 67 ASP CA C 54.664 0.3 1 290 67 67 ASP CB C 41.155 0.3 1 291 67 67 ASP N N 121.384 0.3 1 292 68 68 GLY H H 8.299 0.020 1 293 68 68 GLY C C 174.906 0.3 1 294 68 68 GLY CA C 45.723 0.3 1 295 68 68 GLY N N 110.061 0.3 1 296 69 69 SER H H 8.120 0.020 1 297 69 69 SER C C 174.609 0.3 1 298 69 69 SER CA C 59.096 0.3 1 299 69 69 SER CB C 64.047 0.3 1 300 69 69 SER N N 116.601 0.3 1 301 70 70 ASN H H 8.280 0.020 1 302 70 70 ASN C C 175.216 0.3 1 303 70 70 ASN CA C 53.516 0.3 1 304 70 70 ASN CB C 38.876 0.3 1 305 70 70 ASN N N 120.804 0.3 1 306 71 71 PHE H H 8.099 0.020 1 307 71 71 PHE C C 176.594 0.3 1 308 71 71 PHE CA C 58.188 0.3 1 309 71 71 PHE CB C 39.391 0.3 1 310 71 71 PHE N N 121.435 0.3 1 311 72 72 GLY H H 8.222 0.020 1 312 72 72 GLY C C 174.917 0.3 1 313 72 72 GLY CA C 45.598 0.3 1 314 72 72 GLY N N 111.329 0.3 1 315 73 73 GLY H H 7.899 0.020 1 316 73 73 GLY C C 174.968 0.3 1 317 73 73 GLY CA C 45.482 0.3 1 318 73 73 GLY N N 109.263 0.3 1 319 74 74 GLY H H 8.220 0.020 1 320 74 74 GLY C C 175.004 0.3 1 321 74 74 GLY CA C 45.562 0.3 1 322 74 74 GLY N N 109.572 0.3 1 323 75 75 GLY H H 8.150 0.020 1 324 75 75 GLY C C 173.933 0.3 1 325 75 75 GLY CA C 45.374 0.3 1 326 75 75 GLY N N 109.226 0.3 1 327 76 76 ASN H H 8.145 0.020 1 328 76 76 ASN C C 175.218 0.3 1 329 76 76 ASN CA C 53.266 0.3 1 330 76 76 ASN CB C 38.914 0.3 1 331 76 76 ASN N N 119.240 0.3 1 332 77 77 TYR H H 8.059 0.020 1 333 77 77 TYR C C 175.789 0.3 1 334 77 77 TYR CA C 58.247 0.3 1 335 77 77 TYR CB C 38.823 0.3 1 336 77 77 TYR N N 121.427 0.3 1 337 78 78 ASN H H 8.208 0.020 1 338 78 78 ASN C C 175.094 0.3 1 339 78 78 ASN CA C 53.517 0.3 1 340 78 78 ASN CB C 38.893 0.3 1 341 78 78 ASN N N 120.770 0.3 1 342 79 79 ASN H H 8.179 0.020 1 343 79 79 ASN C C 175.533 0.3 1 344 79 79 ASN CA C 53.543 0.3 1 345 79 79 ASN CB C 38.686 0.3 1 346 79 79 ASN N N 119.837 0.3 1 347 80 80 GLN H H 8.213 0.020 1 348 80 80 GLN C C 176.415 0.3 1 349 80 80 GLN CA C 56.358 0.3 1 350 80 80 GLN CB C 29.335 0.3 1 351 80 80 GLN N N 120.822 0.3 1 352 81 81 SER H H 8.199 0.020 1 353 81 81 SER C C 174.943 0.3 1 354 81 81 SER CA C 58.896 0.3 1 355 81 81 SER CB C 63.940 0.3 1 356 81 81 SER N N 117.065 0.3 1 357 82 82 SER H H 8.158 0.020 1 358 82 82 SER C C 174.338 0.3 1 359 82 82 SER CA C 58.907 0.3 1 360 82 82 SER CB C 63.957 0.3 1 361 82 82 SER N N 118.052 0.3 1 362 83 83 ASN H H 8.172 0.020 1 363 83 83 ASN C C 174.841 0.3 1 364 83 83 ASN CA C 53.518 0.3 1 365 83 83 ASN CB C 38.783 0.3 1 366 83 83 ASN N N 120.934 0.3 1 367 84 84 PHE H H 8.006 0.020 1 368 84 84 PHE C C 175.981 0.3 1 369 84 84 PHE CA C 57.797 0.3 1 370 84 84 PHE CB C 40.013 0.3 1 371 84 84 PHE N N 120.761 0.3 1 372 85 85 GLY H H 8.008 0.020 1 373 85 85 GLY C C 171.967 0.3 1 374 85 85 GLY CA C 45.021 0.3 1 375 85 85 GLY N N 110.791 0.3 1 376 87 87 MET H H 8.315 0.020 1 377 87 87 MET C C 176.497 0.3 1 378 87 87 MET CA C 55.794 0.3 1 379 87 87 MET CB C 32.817 0.3 1 380 87 87 MET N N 120.792 0.3 1 381 88 88 LYS H H 8.184 0.020 1 382 88 88 LYS C C 177.106 0.3 1 383 88 88 LYS CA C 56.500 0.3 1 384 88 88 LYS CB C 32.997 0.3 1 385 88 88 LYS N N 123.253 0.3 1 386 89 89 GLY H H 8.300 0.020 1 387 89 89 GLY C C 174.717 0.3 1 388 89 89 GLY CA C 45.434 0.3 1 389 89 89 GLY N N 110.789 0.3 1 390 90 90 GLY H H 8.081 0.020 1 391 90 90 GLY C C 173.914 0.3 1 392 90 90 GLY CA C 45.368 0.3 1 393 90 90 GLY N N 109.085 0.3 1 394 91 91 ASN H H 8.177 0.020 1 395 91 91 ASN C C 175.251 0.3 1 396 91 91 ASN CA C 53.364 0.3 1 397 91 91 ASN CB C 38.884 0.3 1 398 91 91 ASN N N 119.294 0.3 1 399 92 92 PHE H H 8.195 0.020 1 400 92 92 PHE C C 176.616 0.3 1 401 92 92 PHE CA C 58.007 0.3 1 402 92 92 PHE CB C 39.460 0.3 1 403 92 92 PHE N N 121.617 0.3 1 404 93 93 GLY H H 8.275 0.020 1 405 93 93 GLY C C 174.874 0.3 1 406 93 93 GLY CA C 45.629 0.3 1 407 93 93 GLY N N 111.264 0.3 1 408 94 94 GLY H H 7.927 0.020 1 409 94 94 GLY C C 174.400 0.3 1 410 94 94 GLY CA C 45.495 0.3 1 411 94 94 GLY N N 109.202 0.3 1 412 95 95 ARG H H 8.075 0.020 1 413 95 95 ARG C C 176.739 0.3 1 414 95 95 ARG CA C 56.355 0.3 1 415 95 95 ARG CB C 31.013 0.3 1 416 95 95 ARG N N 121.131 0.3 1 417 96 96 SER H H 8.327 0.020 1 418 96 96 SER C C 174.712 0.3 1 419 96 96 SER CA C 58.692 0.3 1 420 96 96 SER CB C 64.078 0.3 1 421 96 96 SER N N 117.731 0.3 1 422 97 97 SER H H 8.218 0.020 1 423 97 97 SER C C 174.721 0.3 1 424 97 97 SER CA C 58.891 0.3 1 425 97 97 SER CB C 64.217 0.3 1 426 97 97 SER N N 118.183 0.3 1 427 98 98 GLY H H 8.089 0.020 1 428 98 98 GLY C C 172.299 0.3 1 429 98 98 GLY CA C 44.954 0.3 1 430 98 98 GLY N N 111.049 0.3 1 431 100 100 TYR H H 8.184 0.020 1 432 100 100 TYR C C 176.763 0.3 1 433 100 100 TYR CA C 58.019 0.3 1 434 100 100 TYR CB C 38.621 0.3 1 435 100 100 TYR N N 120.868 0.3 1 436 101 101 GLY H H 8.084 0.020 1 437 101 101 GLY C C 174.908 0.3 1 438 101 101 GLY CA C 45.583 0.3 1 439 101 101 GLY N N 111.565 0.3 1 440 102 102 GLY H H 7.836 0.020 1 441 102 102 GLY C C 174.964 0.3 1 442 102 102 GLY CA C 45.368 0.3 1 443 102 102 GLY N N 109.073 0.3 1 444 103 103 GLY H H 8.217 0.020 1 445 103 103 GLY C C 175.038 0.3 1 446 103 103 GLY CA C 45.488 0.3 1 447 103 103 GLY N N 109.484 0.3 1 448 104 104 GLY H H 8.193 0.020 1 449 104 104 GLY C C 174.325 0.3 1 450 104 104 GLY CA C 45.524 0.3 1 451 104 104 GLY N N 109.375 0.3 1 452 105 105 GLN H H 8.100 0.020 1 453 105 105 GLN C C 175.706 0.3 1 454 105 105 GLN CA C 56.316 0.3 1 455 105 105 GLN CB C 29.600 0.3 1 456 105 105 GLN N N 120.417 0.3 1 457 106 106 TYR H H 8.022 0.020 1 458 106 106 TYR C C 175.364 0.3 1 459 106 106 TYR CA C 58.030 0.3 1 460 106 106 TYR CB C 38.967 0.3 1 461 106 106 TYR N N 121.857 0.3 1 462 107 107 PHE H H 7.846 0.020 1 463 107 107 PHE C C 174.970 0.3 1 464 107 107 PHE CA C 57.646 0.3 1 465 107 107 PHE CB C 40.007 0.3 1 466 107 107 PHE N N 122.630 0.3 1 467 108 108 ALA H H 7.960 0.020 1 468 108 108 ALA C C 177.092 0.3 1 469 108 108 ALA CA C 52.233 0.3 1 470 108 108 ALA CB C 19.542 0.3 1 471 108 108 ALA N N 126.197 0.3 1 472 109 109 LYS H H 8.008 0.020 1 473 109 109 LYS C C 174.651 0.3 1 474 109 109 LYS CA C 54.367 0.3 1 475 109 109 LYS CB C 32.750 0.3 1 476 109 109 LYS N N 122.501 0.3 1 477 111 111 ARG H H 8.322 0.020 1 478 111 111 ARG C C 176.468 0.3 1 479 111 111 ARG CA C 56.331 0.3 1 480 111 111 ARG CB C 31.006 0.3 1 481 111 111 ARG N N 121.943 0.3 1 482 112 112 ASN H H 8.365 0.020 1 483 112 112 ASN C C 175.407 0.3 1 484 112 112 ASN CA C 53.530 0.3 1 485 112 112 ASN CB C 38.890 0.3 1 486 112 112 ASN N N 120.030 0.3 1 487 113 113 GLN H H 8.313 0.020 1 488 113 113 GLN C C 176.543 0.3 1 489 113 113 GLN CA C 56.303 0.3 1 490 113 113 GLN CB C 29.647 0.3 1 491 113 113 GLN N N 121.577 0.3 1 492 114 114 GLY H H 8.322 0.020 1 493 114 114 GLY C C 174.699 0.3 1 494 114 114 GLY CA C 45.562 0.3 1 495 114 114 GLY N N 110.534 0.3 1 496 115 115 GLY H H 8.070 0.020 1 497 115 115 GLY C C 174.168 0.3 1 498 115 115 GLY CA C 45.368 0.3 1 499 115 115 GLY N N 109.266 0.3 1 500 116 116 TYR H H 8.075 0.020 1 501 116 116 TYR C C 176.762 0.3 1 502 116 116 TYR CA C 58.297 0.3 1 503 116 116 TYR CB C 38.900 0.3 1 504 116 116 TYR N N 120.997 0.3 1 505 117 117 GLY H H 8.348 0.020 1 506 117 117 GLY C C 174.844 0.3 1 507 117 117 GLY CA C 45.444 0.3 1 508 117 117 GLY N N 112.116 0.3 1 509 118 118 GLY H H 7.825 0.020 1 510 118 118 GLY C C 174.444 0.3 1 511 118 118 GLY CA C 45.474 0.3 1 512 118 118 GLY N N 109.285 0.3 1 513 119 119 SER H H 8.192 0.020 1 514 119 119 SER C C 175.170 0.3 1 515 119 119 SER CA C 58.632 0.3 1 516 119 119 SER CB C 64.075 0.3 1 517 119 119 SER N N 116.391 0.3 1 518 120 120 SER H H 8.365 0.020 1 519 120 120 SER C C 174.977 0.3 1 520 120 120 SER CA C 58.853 0.3 1 521 120 120 SER CB C 63.960 0.3 1 522 120 120 SER N N 118.634 0.3 1 523 121 121 SER H H 8.270 0.020 1 524 121 121 SER C C 175.013 0.3 1 525 121 121 SER CA C 58.874 0.3 1 526 121 121 SER CB C 63.963 0.3 1 527 121 121 SER N N 118.397 0.3 1 528 122 122 SER H H 8.225 0.020 1 529 122 122 SER C C 175.177 0.3 1 530 122 122 SER CA C 58.869 0.3 1 531 122 122 SER CB C 63.965 0.3 1 532 122 122 SER N N 118.421 0.3 1 533 123 123 SER H H 8.200 0.020 1 534 123 123 SER C C 174.880 0.3 1 535 123 123 SER CA C 58.983 0.3 1 536 123 123 SER CB C 63.981 0.3 1 537 123 123 SER N N 118.427 0.3 1 538 124 124 SER H H 8.146 0.020 1 539 124 124 SER C C 174.522 0.3 1 540 124 124 SER CA C 58.866 0.3 1 541 124 124 SER CB C 63.935 0.3 1 542 124 124 SER N N 118.354 0.3 1 543 125 125 TYR H H 8.056 0.020 1 544 125 125 TYR C C 176.690 0.3 1 545 125 125 TYR CA C 58.583 0.3 1 546 125 125 TYR CB C 38.886 0.3 1 547 125 125 TYR N N 122.867 0.3 1 548 126 126 GLY H H 8.179 0.020 1 549 126 126 GLY C C 174.531 0.3 1 550 126 126 GLY CA C 45.517 0.3 1 551 126 126 GLY N N 111.393 0.3 1 552 127 127 SER H H 8.137 0.020 1 553 127 127 SER C C 175.351 0.3 1 554 127 127 SER CA C 58.892 0.3 1 555 127 127 SER CB C 63.953 0.3 1 556 127 127 SER N N 116.571 0.3 1 557 128 128 GLY H H 8.351 0.020 1 558 128 128 GLY C C 174.036 0.3 1 559 128 128 GLY CA C 45.424 0.3 1 560 128 128 GLY N N 111.522 0.3 1 561 129 129 ARG H H 7.941 0.020 1 562 129 129 ARG C C 176.119 0.3 1 563 129 129 ARG CA C 56.243 0.3 1 564 129 129 ARG CB C 31.253 0.3 1 565 129 129 ARG N N 121.384 0.3 1 566 130 130 ARG H H 8.246 0.020 1 567 130 130 ARG C C 175.126 0.3 1 568 130 130 ARG CA C 56.219 0.3 1 569 130 130 ARG CB C 31.134 0.3 1 570 130 130 ARG N N 123.898 0.3 1 571 131 131 PHE H H 7.628 0.020 1 572 131 131 PHE C C 180.317 0.3 1 573 131 131 PHE CA C 59.137 0.3 1 574 131 131 PHE CB C 40.478 0.3 1 575 131 131 PHE N N 126.364 0.3 1 stop_ save_