data_27894 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of human FOXO1 ; _BMRB_accession_number 27894 _BMRB_flat_file_name bmr27894.str _Entry_type original _Submission_date 2019-05-08 _Accession_date 2019-05-08 _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 Hennig Janosch . . 2 Hollmann 'Nele Merret' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 106 "13C chemical shifts" 198 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-26 original BMRB . stop_ _Original_release_date 2019-05-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mechanistic insights into transcription factor cooperativity and its impact on protein-phenotype interactions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31913281 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ibarra Ignacio L. . 2 Hollmann 'Nele Merret' . . 3 Klaus Bernd . . 4 Augsten Sandra A. . 5 Velten Britta . . 6 Hennig Janosch . . 7 Zaugg Judith B. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 11 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 124 _Page_last 124 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FOXO1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FOXO1 $FOXO1 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_FOXO1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FOXO1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; GPGPLAGQPRKSSSSRRNAW GNLSYADLITKAIESSAEKR LTLSQIYEWMVKSVPYFKDK GDSNSSAGWKNSIRHNLSLH SKFIRVQNEGTGKSSWWMLN PEGGKSGKSPRRRAASMDNN SKFAKSRSRA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 GLY 4 PRO 5 LEU 6 ALA 7 GLY 8 GLN 9 PRO 10 ARG 11 LYS 12 SER 13 SER 14 SER 15 SER 16 ARG 17 ARG 18 ASN 19 ALA 20 TRP 21 GLY 22 ASN 23 LEU 24 SER 25 TYR 26 ALA 27 ASP 28 LEU 29 ILE 30 THR 31 LYS 32 ALA 33 ILE 34 GLU 35 SER 36 SER 37 ALA 38 GLU 39 LYS 40 ARG 41 LEU 42 THR 43 LEU 44 SER 45 GLN 46 ILE 47 TYR 48 GLU 49 TRP 50 MET 51 VAL 52 LYS 53 SER 54 VAL 55 PRO 56 TYR 57 PHE 58 LYS 59 ASP 60 LYS 61 GLY 62 ASP 63 SER 64 ASN 65 SER 66 SER 67 ALA 68 GLY 69 TRP 70 LYS 71 ASN 72 SER 73 ILE 74 ARG 75 HIS 76 ASN 77 LEU 78 SER 79 LEU 80 HIS 81 SER 82 LYS 83 PHE 84 ILE 85 ARG 86 VAL 87 GLN 88 ASN 89 GLU 90 GLY 91 THR 92 GLY 93 LYS 94 SER 95 SER 96 TRP 97 TRP 98 MET 99 LEU 100 ASN 101 PRO 102 GLU 103 GLY 104 GLY 105 LYS 106 SER 107 GLY 108 LYS 109 SER 110 PRO 111 ARG 112 ARG 113 ARG 114 ALA 115 ALA 116 SER 117 MET 118 ASP 119 ASN 120 ASN 121 SER 122 LYS 123 PHE 124 ALA 125 LYS 126 SER 127 ARG 128 SER 129 ARG 130 ALA 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 $FOXO1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FOXO1 'recombinant technology' . Escherichia coli Bl21 pETM-22 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 $FOXO1 0.25 mM '[U-99% 13C; U-99% 15N]' D2O 10 % '[U-99% 2H]' bis-TRIS 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Fred Damberger' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.773 internal direct . . . . water H 1 protons ppm 4.773 internal direct . . . 1 water N 15 protons ppm 4.773 internal direct . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' 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 FOXO1 _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 GLY H H 8.370 0.020 1 2 1 1 GLY CA C 44.406 0.3 1 3 1 1 GLY N N 109.727 0.3 1 4 3 3 GLY H H 8.324 0.020 1 5 3 3 GLY CA C 44.016 0.3 1 6 3 3 GLY N N 109.119 0.3 1 7 5 5 LEU H H 8.333 0.020 1 8 5 5 LEU CA C 54.979 0.3 1 9 5 5 LEU CB C 41.867 0.3 1 10 5 5 LEU N N 122.058 0.3 1 11 6 6 ALA H H 8.168 0.020 1 12 6 6 ALA CA C 52.594 0.3 1 13 6 6 ALA CB C 19.011 0.3 1 14 6 6 ALA N N 124.645 0.3 1 15 7 7 GLY H H 8.290 0.020 1 16 7 7 GLY CA C 44.980 0.3 1 17 7 7 GLY N N 107.925 0.3 1 18 8 8 GLN H H 8.084 0.020 1 19 8 8 GLN CA C 53.534 0.3 1 20 8 8 GLN CB C 28.654 0.3 1 21 8 8 GLN N N 120.464 0.3 1 22 10 10 ARG H H 8.445 0.020 1 23 10 10 ARG CA C 55.920 0.3 1 24 10 10 ARG CB C 30.909 0.3 1 25 10 10 ARG N N 121.704 0.3 1 26 11 11 LYS H H 8.418 0.020 1 27 11 11 LYS CA C 56.011 0.3 1 28 11 11 LYS N N 123.233 0.3 1 29 12 12 SER H H 8.197 0.020 1 30 12 12 SER CA C 58.351 0.3 1 31 12 12 SER CB C 63.407 0.3 1 32 12 12 SER N N 116.335 0.3 1 33 19 19 ALA H H 8.370 0.020 1 34 19 19 ALA CA C 52.456 0.3 1 35 19 19 ALA CB C 19.011 0.3 1 36 19 19 ALA N N 125.083 0.3 1 37 20 20 TRP H H 7.095 0.020 1 38 20 20 TRP CA C 56.791 0.3 1 39 20 20 TRP CB C 28.592 0.3 1 40 20 20 TRP N N 114.352 0.3 1 41 21 21 GLY H H 7.568 0.020 1 42 21 21 GLY CA C 45.140 0.3 1 43 21 21 GLY N N 109.890 0.3 1 44 23 23 LEU H H 7.640 0.020 1 45 23 23 LEU CA C 54.750 0.3 1 46 23 23 LEU CB C 42.681 0.3 1 47 23 23 LEU N N 120.754 0.3 1 48 24 24 SER H H 9.041 0.020 1 49 24 24 SER CA C 56.539 0.3 1 50 24 24 SER CB C 64.785 0.3 1 51 24 24 SER N N 118.435 0.3 1 52 25 25 TYR H H 8.838 0.020 1 53 25 25 TYR CA C 63.305 0.3 1 54 25 25 TYR CB C 38.297 0.3 1 55 25 25 TYR N N 120.372 0.3 1 56 26 26 ALA H H 8.677 0.020 1 57 26 26 ALA CA C 55.851 0.3 1 58 26 26 ALA CB C 17.195 0.3 1 59 26 26 ALA N N 119.633 0.3 1 60 27 27 ASP H H 8.100 0.020 1 61 27 27 ASP CA C 57.411 0.3 1 62 27 27 ASP CB C 40.802 0.3 1 63 27 27 ASP N N 121.301 0.3 1 64 28 28 LEU H H 8.122 0.020 1 65 28 28 LEU CA C 58.122 0.3 1 66 28 28 LEU CB C 42.305 0.3 1 67 28 28 LEU N N 121.857 0.3 1 68 29 29 ILE H H 8.470 0.020 1 69 29 29 ILE CA C 65.599 0.3 1 70 29 29 ILE CB C 37.859 0.3 1 71 29 29 ILE N N 118.682 0.3 1 72 30 30 THR H H 7.844 0.020 1 73 30 30 THR CA C 67.392 0.3 1 74 30 30 THR CB C 68.855 0.3 1 75 30 30 THR N N 114.919 0.3 1 76 31 31 LYS H H 7.539 0.020 1 77 31 31 LYS CA C 58.950 0.3 1 78 31 31 LYS CB C 32.098 0.3 1 79 31 31 LYS N N 120.324 0.3 1 80 32 32 ALA H H 7.463 0.020 1 81 32 32 ALA CA C 54.406 0.3 1 82 32 32 ALA CB C 16.945 0.3 1 83 32 32 ALA N N 123.161 0.3 1 84 33 33 ILE H H 7.972 0.020 1 85 33 33 ILE CA C 66.218 0.3 1 86 33 33 ILE CB C 38.172 0.3 1 87 33 33 ILE N N 118.001 0.3 1 88 34 34 GLU H H 8.766 0.020 1 89 34 34 GLU CA C 59.062 0.3 1 90 34 34 GLU CB C 29.531 0.3 1 91 34 34 GLU N N 118.895 0.3 1 92 35 35 SER H H 7.452 0.020 1 93 35 35 SER CA C 59.612 0.3 1 94 35 35 SER CB C 63.407 0.3 1 95 35 35 SER N N 112.475 0.3 1 96 36 36 SER H H 7.443 0.020 1 97 36 36 SER CA C 57.663 0.3 1 98 36 36 SER CB C 65.223 0.3 1 99 36 36 SER N N 118.561 0.3 1 100 37 37 ALA H H 9.020 0.020 1 101 37 37 ALA CA C 55.209 0.3 1 102 37 37 ALA CB C 18.448 0.3 1 103 37 37 ALA N N 128.148 0.3 1 104 38 38 GLU H H 8.466 0.020 1 105 38 38 GLU CA C 55.553 0.3 1 106 38 38 GLU CB C 29.781 0.3 1 107 38 38 GLU N N 113.065 0.3 1 108 39 39 LYS H H 7.755 0.020 1 109 39 39 LYS CA C 55.415 0.3 1 110 39 39 LYS CB C 28.153 0.3 1 111 39 39 LYS N N 115.109 0.3 1 112 40 40 ARG H H 7.299 0.020 1 113 40 40 ARG CA C 54.452 0.3 1 114 40 40 ARG CB C 31.973 0.3 1 115 40 40 ARG N N 111.771 0.3 1 116 41 41 LEU H H 8.686 0.020 1 117 41 41 LEU CA C 53.993 0.3 1 118 41 41 LEU CB C 49.506 0.3 1 119 41 41 LEU N N 120.116 0.3 1 120 42 42 THR H H 8.900 0.020 1 121 42 42 THR CA C 60.438 0.3 1 122 42 42 THR CB C 70.546 0.3 1 123 42 42 THR N N 112.457 0.3 1 124 43 43 LEU H H 9.336 0.020 1 125 43 43 LEU CA C 58.580 0.3 1 126 43 43 LEU CB C 41.366 0.3 1 127 43 43 LEU N N 122.070 0.3 1 128 44 44 SER H H 8.376 0.020 1 129 44 44 SER CA C 62.181 0.3 1 130 44 44 SER N N 111.308 0.3 1 131 45 45 GLN H H 7.611 0.020 1 132 45 45 GLN CA C 58.557 0.3 1 133 45 45 GLN CB C 30.032 0.3 1 134 45 45 GLN N N 120.431 0.3 1 135 46 46 ILE H H 8.357 0.020 1 136 46 46 ILE CA C 66.585 0.3 1 137 46 46 ILE CB C 37.421 0.3 1 138 46 46 ILE N N 124.312 0.3 1 139 47 47 TYR H H 8.186 0.020 1 140 47 47 TYR CA C 59.106 0.3 1 141 47 47 TYR CB C 36.857 0.3 1 142 47 47 TYR N N 118.481 0.3 1 143 48 48 GLU H H 8.215 0.020 1 144 48 48 GLU CA C 59.337 0.3 1 145 48 48 GLU CB C 29.531 0.3 1 146 48 48 GLU N N 117.615 0.3 1 147 49 49 TRP H H 8.185 0.020 1 148 49 49 TRP CA C 62.709 0.3 1 149 49 49 TRP CB C 28.717 0.3 1 150 49 49 TRP N N 120.368 0.3 1 151 50 50 MET H H 8.339 0.020 1 152 50 50 MET CA C 58.523 0.3 1 153 50 50 MET CB C 31.347 0.3 1 154 50 50 MET N N 118.916 0.3 1 155 51 51 VAL H H 7.535 0.020 1 156 51 51 VAL CA C 64.979 0.3 1 157 51 51 VAL CB C 31.723 0.3 1 158 51 51 VAL N N 115.214 0.3 1 159 52 52 LYS H H 7.474 0.020 1 160 52 52 LYS CA C 57.846 0.3 1 161 52 52 LYS CB C 33.038 0.3 1 162 52 52 LYS N N 116.756 0.3 1 163 53 53 SER H H 7.527 0.020 1 164 53 53 SER CA C 59.681 0.3 1 165 53 53 SER CB C 63.345 0.3 1 166 53 53 SER N N 111.371 0.3 1 167 54 54 VAL H H 7.765 0.020 1 168 54 54 VAL CA C 59.222 0.3 1 169 54 54 VAL CB C 32.161 0.3 1 170 54 54 VAL N N 122.315 0.3 1 171 56 56 TYR H H 7.736 0.020 1 172 56 56 TYR CA C 60.140 0.3 1 173 56 56 TYR CB C 38.611 0.3 1 174 56 56 TYR N N 115.442 0.3 1 175 57 57 PHE H H 7.391 0.020 1 176 57 57 PHE CA C 58.030 0.3 1 177 57 57 PHE CB C 37.922 0.3 1 178 57 57 PHE N N 114.044 0.3 1 179 58 58 LYS H H 7.482 0.020 1 180 58 58 LYS CA C 58.557 0.3 1 181 58 58 LYS CB C 32.537 0.3 1 182 58 58 LYS N N 120.159 0.3 1 183 59 59 ASP H H 8.122 0.020 1 184 59 59 ASP CA C 53.970 0.3 1 185 59 59 ASP CB C 40.301 0.3 1 186 59 59 ASP N N 117.277 0.3 1 187 60 60 LYS H H 7.791 0.020 1 188 60 60 LYS CA C 55.438 0.3 1 189 60 60 LYS CB C 32.349 0.3 1 190 60 60 LYS N N 119.748 0.3 1 191 61 61 GLY H H 8.489 0.020 1 192 61 61 GLY CA C 46.126 0.3 1 193 61 61 GLY N N 108.204 0.3 1 194 62 62 ASP H H 8.159 0.020 1 195 62 62 ASP CA C 53.594 0.3 1 196 62 62 ASP CB C 41.115 0.3 1 197 62 62 ASP N N 119.435 0.3 1 198 65 65 SER H H 7.866 0.020 1 199 65 65 SER CA C 60.048 0.3 1 200 65 65 SER CB C 64.597 0.3 1 201 65 65 SER N N 121.253 0.3 1 202 67 67 ALA H H 7.576 0.020 1 203 67 67 ALA CA C 54.062 0.3 1 204 67 67 ALA CB C 18.510 0.3 1 205 67 67 ALA N N 123.885 0.3 1 206 68 68 GLY H H 8.211 0.020 1 207 68 68 GLY CA C 46.860 0.3 1 208 68 68 GLY N N 106.637 0.3 1 209 69 69 TRP H H 8.115 0.020 1 210 69 69 TRP CA C 59.475 0.3 1 211 69 69 TRP CB C 28.466 0.3 1 212 69 69 TRP N N 122.734 0.3 1 213 71 71 ASN H H 7.952 0.020 1 214 71 71 ASN CA C 52.250 0.3 1 215 71 71 ASN CB C 38.485 0.3 1 216 71 71 ASN N N 118.452 0.3 1 217 73 73 ILE H H 8.192 0.020 1 218 73 73 ILE CA C 64.475 0.3 1 219 73 73 ILE CB C 36.168 0.3 1 220 73 73 ILE N N 124.733 0.3 1 221 74 74 ARG H H 7.783 0.020 1 222 74 74 ARG CA C 60.117 0.3 1 223 74 74 ARG CB C 29.594 0.3 1 224 74 74 ARG N N 118.750 0.3 1 225 75 75 HIS H H 8.363 0.020 1 226 75 75 HIS CA C 58.970 0.3 1 227 75 75 HIS CB C 30.157 0.3 1 228 75 75 HIS N N 117.534 0.3 1 229 76 76 ASN H H 7.905 0.020 1 230 76 76 ASN CA C 57.502 0.3 1 231 76 76 ASN CB C 40.489 0.3 1 232 76 76 ASN N N 117.309 0.3 1 233 79 79 LEU H H 7.426 0.020 1 234 79 79 LEU CA C 55.645 0.3 1 235 79 79 LEU CB C 42.994 0.3 1 236 79 79 LEU N N 120.840 0.3 1 237 83 83 PHE H H 7.903 0.020 1 238 83 83 PHE CA C 55.828 0.3 1 239 83 83 PHE CB C 41.929 0.3 1 240 83 83 PHE N N 126.492 0.3 1 241 84 84 ILE H H 9.250 0.020 1 242 84 84 ILE CA C 59.406 0.3 1 243 84 84 ILE CB C 41.616 0.3 1 244 84 84 ILE N N 119.400 0.3 1 245 85 85 ARG H H 8.109 0.020 1 246 85 85 ARG CA C 54.291 0.3 1 247 85 85 ARG CB C 30.595 0.3 1 248 85 85 ARG N N 125.771 0.3 1 249 86 86 VAL H H 8.958 0.020 1 250 86 86 VAL CA C 61.264 0.3 1 251 86 86 VAL CB C 33.977 0.3 1 252 86 86 VAL N N 127.082 0.3 1 253 87 87 GLN H H 8.467 0.020 1 254 87 87 GLN CA C 55.759 0.3 1 255 87 87 GLN CB C 29.719 0.3 1 256 87 87 GLN N N 125.020 0.3 1 257 88 88 ASN H H 8.465 0.020 1 258 88 88 ASN CA C 52.709 0.3 1 259 88 88 ASN CB C 38.861 0.3 1 260 88 88 ASN N N 122.090 0.3 1 261 89 89 GLU H H 8.645 0.020 1 262 89 89 GLU CA C 57.181 0.3 1 263 89 89 GLU CB C 29.656 0.3 1 264 89 89 GLU N N 122.297 0.3 1 265 90 90 GLY H H 8.504 0.020 1 266 90 90 GLY CA C 45.163 0.3 1 267 90 90 GLY N N 109.463 0.3 1 268 91 91 THR H H 8.111 0.020 1 269 91 91 THR CA C 62.456 0.3 1 270 91 91 THR CB C 69.356 0.3 1 271 91 91 THR N N 114.029 0.3 1 272 92 92 GLY H H 8.558 0.020 1 273 92 92 GLY CA C 45.668 0.3 1 274 92 92 GLY N N 112.267 0.3 1 275 93 93 LYS H H 7.947 0.020 1 276 93 93 LYS CA C 55.713 0.3 1 277 93 93 LYS CB C 32.787 0.3 1 278 93 93 LYS N N 119.563 0.3 1 279 94 94 SER H H 8.123 0.020 1 280 94 94 SER CA C 58.236 0.3 1 281 94 94 SER CB C 63.908 0.3 1 282 94 94 SER N N 116.585 0.3 1 283 95 95 SER H H 8.209 0.020 1 284 95 95 SER CA C 58.488 0.3 1 285 95 95 SER CB C 63.971 0.3 1 286 95 95 SER N N 117.011 0.3 1 287 96 96 TRP H H 8.415 0.020 1 288 96 96 TRP CA C 56.493 0.3 1 289 96 96 TRP CB C 32.161 0.3 1 290 96 96 TRP N N 120.722 0.3 1 291 97 97 TRP H H 9.181 0.020 1 292 97 97 TRP CA C 56.642 0.3 1 293 97 97 TRP CB C 30.783 0.3 1 294 97 97 TRP N N 121.815 0.3 1 295 98 98 MET H H 9.205 0.020 1 296 98 98 MET CA C 53.993 0.3 1 297 98 98 MET CB C 37.609 0.3 1 298 98 98 MET N N 117.691 0.3 1 299 99 99 LEU H H 9.157 0.020 1 300 99 99 LEU CA C 54.387 0.3 1 301 99 99 LEU CB C 41.366 0.3 1 302 99 99 LEU N N 120.184 0.3 1 303 100 100 ASN H H 8.612 0.020 1 304 100 100 ASN CA C 50.507 0.3 1 305 100 100 ASN CB C 39.111 0.3 1 306 100 100 ASN N N 121.485 0.3 1 307 102 102 GLU H H 8.024 0.020 1 308 102 102 GLU CA C 56.484 0.3 1 309 102 102 GLU CB C 29.594 0.3 1 310 102 102 GLU N N 118.950 0.3 1 311 103 103 GLY H H 8.110 0.020 1 312 103 103 GLY CA C 45.576 0.3 1 313 103 103 GLY N N 108.819 0.3 1 314 104 104 GLY H H 8.192 0.020 1 315 104 104 GLY CA C 45.423 0.3 1 316 104 104 GLY N N 108.489 0.3 1 317 105 105 LYS H H 7.806 0.020 1 318 105 105 LYS CA C 52.961 0.3 1 319 105 105 LYS CB C 29.531 0.3 1 320 105 105 LYS N N 118.114 0.3 1 321 107 107 GLY H H 8.360 0.020 1 322 107 107 GLY CA C 45.232 0.3 1 323 107 107 GLY N N 110.759 0.3 1 324 108 108 LYS H H 8.128 0.020 1 325 108 108 LYS CA C 55.966 0.3 1 326 108 108 LYS CB C 32.850 0.3 1 327 108 108 LYS N N 120.480 0.3 1 328 109 109 SER H H 8.339 0.020 1 329 109 109 SER CA C 56.331 0.3 1 330 109 109 SER CB C 63.031 0.3 1 331 109 109 SER N N 118.386 0.3 1 332 111 111 ARG H H 8.353 0.020 1 333 111 111 ARG CA C 56.080 0.3 1 334 111 111 ARG CB C 30.533 0.3 1 335 111 111 ARG N N 121.333 0.3 1 336 112 112 ARG H H 8.215 0.020 1 337 112 112 ARG CA C 56.310 0.3 1 338 112 112 ARG CB C 30.554 0.3 1 339 112 112 ARG N N 121.808 0.3 1 340 113 113 ARG H H 8.349 0.020 1 341 113 113 ARG CA C 55.966 0.3 1 342 113 113 ARG CB C 30.615 0.3 1 343 113 113 ARG N N 122.903 0.3 1 344 114 114 ALA H H 8.363 0.020 1 345 114 114 ALA CA C 52.319 0.3 1 346 114 114 ALA CB C 19.074 0.3 1 347 114 114 ALA N N 125.946 0.3 1 348 115 115 ALA H H 8.322 0.020 1 349 115 115 ALA CA C 52.456 0.3 1 350 115 115 ALA CB C 18.959 0.3 1 351 115 115 ALA N N 123.619 0.3 1 352 116 116 SER H H 8.220 0.020 1 353 116 116 SER CA C 58.236 0.3 1 354 116 116 SER CB C 63.407 0.3 1 355 116 116 SER N N 114.670 0.3 1 356 117 117 MET H H 8.345 0.020 1 357 117 117 MET CA C 55.415 0.3 1 358 117 117 MET CB C 32.850 0.3 1 359 117 117 MET N N 122.034 0.3 1 360 118 118 ASP H H 8.225 0.020 1 361 118 118 ASP CA C 54.223 0.3 1 362 118 118 ASP CB C 41.053 0.3 1 363 118 118 ASP N N 121.124 0.3 1 364 119 119 ASN H H 8.396 0.020 1 365 119 119 ASN CA C 53.567 0.3 1 366 119 119 ASN CB C 38.485 0.3 1 367 119 119 ASN N N 119.556 0.3 1 368 120 120 ASN H H 8.422 0.020 1 369 120 120 ASN CA C 53.639 0.3 1 370 120 120 ASN CB C 38.611 0.3 1 371 120 120 ASN N N 118.785 0.3 1 372 121 121 SER H H 8.187 0.020 1 373 121 121 SER CA C 58.993 0.3 1 374 121 121 SER CB C 63.407 0.3 1 375 121 121 SER N N 116.190 0.3 1 376 122 122 LYS H H 8.189 0.020 1 377 122 122 LYS CA C 57.044 0.3 1 378 122 122 LYS CB C 32.224 0.3 1 379 122 122 LYS N N 122.492 0.3 1 380 123 123 PHE H H 7.944 0.020 1 381 123 123 PHE CA C 57.342 0.3 1 382 123 123 PHE CB C 39.049 0.3 1 383 123 123 PHE N N 119.225 0.3 1 384 124 124 ALA H H 7.972 0.020 1 385 124 124 ALA CA C 52.663 0.3 1 386 124 124 ALA CB C 19.011 0.3 1 387 124 124 ALA N N 124.720 0.3 1 388 125 125 LYS H H 8.197 0.020 1 389 125 125 LYS CA C 56.470 0.3 1 390 125 125 LYS CB C 32.724 0.3 1 391 125 125 LYS N N 120.223 0.3 1 392 126 126 SER H H 8.330 0.020 1 393 126 126 SER CA C 58.488 0.3 1 394 126 126 SER CB C 63.595 0.3 1 395 126 126 SER N N 116.359 0.3 1 396 127 127 ARG H H 8.283 0.020 1 397 127 127 ARG CA C 55.897 0.3 1 398 127 127 ARG CB C 30.595 0.3 1 399 127 127 ARG N N 123.177 0.3 1 400 128 128 SER H H 8.287 0.020 1 401 128 128 SER CA C 58.351 0.3 1 402 128 128 SER CB C 63.595 0.3 1 403 128 128 SER N N 116.931 0.3 1 404 129 129 ARG H H 8.320 0.020 1 405 129 129 ARG CA C 56.034 0.3 1 406 129 129 ARG N N 122.822 0.3 1 407 130 130 ALA H H 7.950 0.020 1 408 130 130 ALA CA C 53.764 0.3 1 409 130 130 ALA CB C 19.763 0.3 1 410 130 130 ALA N N 130.835 0.3 1 stop_ save_