data_27654 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Plant Homeodomain (PHD) of ING5 ; _BMRB_accession_number 27654 _BMRB_flat_file_name bmr27654.str _Entry_type original _Submission_date 2018-10-17 _Accession_date 2018-10-17 _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 Blanco 'Francisco J' . . 2 'Ibanez de Opakua' Alain . . 3 Ormaza Georgina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 108 "13C chemical shifts" 182 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-18 original BMRB . stop_ _Original_release_date 2018-10-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Tumor Suppressor ING5 Is a Dimeric, Bivalent Recognition Molecule of the Histone H3K4me3 Mark. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31026448 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ormaza Georgina . . 2 Rodriguez Jhon A. . 3 'Ibanez de Opakua' Alain . . 4 Merino Nekane . . 5 Villate Maider . . 6 Gorrono Irantzu . . 7 Rabano Miriam . . 8 Palmero Ignacio . . 9 Vilaseca Marta . . 10 Kypta Robert . . 11 Vivanco Maria . . 12 Rojas Adriana L. . 13 Blanco Francisco J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 431 _Journal_issue 12 _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2298 _Page_last 2319 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ING5 PHD Zn' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ING5 PHD' $ING5_PHD 'Zn2+ ion 1' $entity_ZN 'Zn2+ ion 2' $entity_ZN 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_ING5_PHD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ING5_PHD _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; GAMDMPVDPNEPTYCLCHQV SYGEMIGCDNPDCPIEWFHF ACVDLTTKPKGKWFCPRCVQ EKRKKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 175 GLY 2 176 ALA 3 177 MET 4 178 ASP 5 179 MET 6 180 PRO 7 181 VAL 8 182 ASP 9 183 PRO 10 184 ASN 11 185 GLU 12 186 PRO 13 187 THR 14 188 TYR 15 189 CYS 16 190 LEU 17 191 CYS 18 192 HIS 19 193 GLN 20 194 VAL 21 195 SER 22 196 TYR 23 197 GLY 24 198 GLU 25 199 MET 26 200 ILE 27 201 GLY 28 202 CYS 29 203 ASP 30 204 ASN 31 205 PRO 32 206 ASP 33 207 CYS 34 208 PRO 35 209 ILE 36 210 GLU 37 211 TRP 38 212 PHE 39 213 HIS 40 214 PHE 41 215 ALA 42 216 CYS 43 217 VAL 44 218 ASP 45 219 LEU 46 220 THR 47 221 THR 48 222 LYS 49 223 PRO 50 224 LYS 51 225 GLY 52 226 LYS 53 227 TRP 54 228 PHE 55 229 CYS 56 230 PRO 57 231 ARG 58 232 CYS 59 233 VAL 60 234 GLN 61 235 GLU 62 236 LYS 63 237 ARG 64 238 LYS 65 239 LYS 66 240 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ING5_PHD 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 $ING5_PHD 'recombinant technology' . Escherichia coli . p29 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 $ING5_PHD 215 uM '[U-99% 13C; U-99% 15N]' $entity_ZN 430 uM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 1 mM 'natural abundance' DSS 25 uM 'natural abundance' D2O 5 '% v/v' '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_MARS _Saveframe_category software _Name MARS _Version . loop_ _Vendor _Address _Electronic_address Zweckstetter . . 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 800 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCB' _Sample_label $sample_1 save_ save_3D_HN(CO)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CB' _Sample_label $sample_1 save_ save_3D_HN(CA)HA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_1 save_ save_3D_HN(COCA)HA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)HA' _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 8.0 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 $TOPSPIN $SPARKY $MARS stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNCB' '3D HN(CO)CB' '3D HN(CA)HA' '3D HN(COCA)HA' 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 'ING5 PHD' _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 1 177 3 MET HA H 4.479 0.01 1 2 177 3 MET C C 175.898 0.05 1 3 177 3 MET CA C 55.461 0.1 1 4 178 4 ASP H H 8.164 0.01 1 5 178 4 ASP HA H 4.582 0.01 1 6 178 4 ASP C C 175.676 0.05 1 7 178 4 ASP CA C 54.425 0.1 1 8 178 4 ASP CB C 41.072 0.1 1 9 178 4 ASP N N 120.95 0.05 1 10 179 5 MET H H 8.116 0.01 1 11 179 5 MET HA H 4.787 0.01 1 12 179 5 MET C C 174.025 0.05 1 13 179 5 MET CA C 53.236 0.1 1 14 179 5 MET CB C 32.584 0.1 1 15 179 5 MET N N 121.397 0.05 1 16 180 6 PRO HA H 4.462 0.01 1 17 180 6 PRO C C 176.733 0.05 1 18 180 6 PRO CA C 63.004 0.1 1 19 180 6 PRO CB C 32.096 0.1 1 20 181 7 VAL H H 8.225 0.01 1 21 181 7 VAL HA H 4.056 0.01 1 22 181 7 VAL C C 175.751 0.05 1 23 181 7 VAL CA C 62.058 0.1 1 24 181 7 VAL CB C 33.169 0.1 1 25 181 7 VAL N N 120.73 0.05 1 26 182 8 ASP H H 8.546 0.01 1 27 182 8 ASP HA H 4.909 0.01 1 28 182 8 ASP CA C 51.765 0.1 1 29 182 8 ASP CB C 41.703 0.1 1 30 182 8 ASP N N 126.265 0.05 1 31 183 9 PRO C C 176.865 0.05 1 32 183 9 PRO CA C 63.667 0.1 1 33 184 10 ASN H H 8.572 0.01 1 34 184 10 ASN HA H 4.695 0.01 1 35 184 10 ASN C C 174.964 0.05 1 36 184 10 ASN CA C 53.26 0.1 1 37 184 10 ASN CB C 39.131 0.1 1 38 184 10 ASN N N 117.39 0.05 1 39 185 11 GLU H H 7.836 0.01 1 40 185 11 GLU HA H 4.557 0.01 1 41 185 11 GLU C C 174.042 0.05 1 42 185 11 GLU CA C 54.469 0.1 1 43 185 11 GLU CB C 30.187 0.1 1 44 185 11 GLU N N 122.642 0.05 1 45 186 12 PRO HA H 4.306 0.01 1 46 186 12 PRO C C 175.326 0.05 1 47 186 12 PRO CA C 63.045 0.1 1 48 186 12 PRO CB C 32.173 0.1 1 49 187 13 THR H H 7.55 0.01 1 50 187 13 THR HA H 4.13 0.01 1 51 187 13 THR C C 173.015 0.05 1 52 187 13 THR CA C 59.659 0.1 1 53 187 13 THR CB C 71.323 0.1 1 54 187 13 THR N N 109.179 0.05 1 55 188 14 TYR H H 8.282 0.01 1 56 188 14 TYR C C 174.218 0.05 1 57 188 14 TYR CA C 57.158 0.1 1 58 188 14 TYR CB C 43.624 0.1 1 59 188 14 TYR N N 118.424 0.05 1 60 189 15 CYS H H 7.136 0.01 1 61 189 15 CYS HA H 3.676 0.01 1 62 189 15 CYS C C 175.158 0.05 1 63 189 15 CYS CA C 59.431 0.1 1 64 189 15 CYS CB C 30.335 0.1 1 65 189 15 CYS N N 115.547 0.05 1 66 190 16 LEU H H 9.965 0.01 1 67 190 16 LEU HA H 4.342 0.01 1 68 190 16 LEU C C 177.924 0.05 1 69 190 16 LEU CA C 56.834 0.1 1 70 190 16 LEU CB C 42.666 0.1 1 71 190 16 LEU N N 126.242 0.05 1 72 191 17 CYS H H 7.619 0.01 1 73 191 17 CYS HA H 4.624 0.01 1 74 191 17 CYS C C 175.89 0.05 1 75 191 17 CYS CA C 57.902 0.1 1 76 191 17 CYS CB C 31.184 0.1 1 77 191 17 CYS N N 114.276 0.05 1 78 192 18 HIS H H 7.652 0.01 1 79 192 18 HIS HA H 4.372 0.01 1 80 192 18 HIS C C 173.962 0.05 1 81 192 18 HIS CA C 56.986 0.1 1 82 192 18 HIS CB C 26.901 0.1 1 83 192 18 HIS N N 119.967 0.05 1 84 193 19 GLN H H 8.1 0.01 1 85 193 19 GLN HA H 5.073 0.01 1 86 193 19 GLN C C 176.218 0.05 1 87 193 19 GLN CA C 54.253 0.1 1 88 193 19 GLN CB C 33.077 0.1 1 89 193 19 GLN N N 117.113 0.05 1 90 194 20 VAL H H 8.19 0.01 1 91 194 20 VAL HA H 4.563 0.01 1 92 194 20 VAL C C 176.139 0.05 1 93 194 20 VAL CA C 61.597 0.1 1 94 194 20 VAL CB C 33.171 0.1 1 95 194 20 VAL N N 113.529 0.05 1 96 195 21 SER H H 8.888 0.01 1 97 195 21 SER HA H 4.065 0.01 1 98 195 21 SER C C 174.12 0.05 1 99 195 21 SER CA C 59.523 0.1 1 100 195 21 SER CB C 63.352 0.1 1 101 195 21 SER N N 115.365 0.05 1 102 196 22 TYR H H 7.412 0.01 1 103 196 22 TYR HA H 4.634 0.01 1 104 196 22 TYR C C 174.701 0.05 1 105 196 22 TYR CA C 57.993 0.1 1 106 196 22 TYR N N 120.159 0.05 1 107 197 23 GLY H H 8.673 0.01 1 108 197 23 GLY C C 173.265 0.05 1 109 197 23 GLY CA C 45.725 0.1 1 110 197 23 GLY N N 109.028 0.05 1 111 198 24 GLU H H 8.281 0.01 1 112 198 24 GLU C C 176.086 0.05 1 113 198 24 GLU CA C 56.651 0.1 1 114 198 24 GLU CB C 28.413 0.1 1 115 198 24 GLU N N 122.302 0.05 1 116 199 25 MET H H 8.322 0.01 1 117 199 25 MET HA H 5.505 0.01 1 118 199 25 MET C C 175.17 0.05 1 119 199 25 MET CA C 53.063 0.1 1 120 199 25 MET CB C 34.577 0.1 1 121 199 25 MET N N 124.114 0.05 1 122 200 26 ILE H H 9.69 0.01 1 123 200 26 ILE HA H 4.763 0.01 1 124 200 26 ILE C C 172.088 0.05 1 125 200 26 ILE CA C 58.434 0.1 1 126 200 26 ILE CB C 42.532 0.1 1 127 200 26 ILE N N 121.9 0.05 1 128 201 27 GLY H H 8.352 0.01 1 129 201 27 GLY C C 172.927 0.05 1 130 201 27 GLY CA C 43.302 0.1 1 131 201 27 GLY N N 116.26 0.05 1 132 202 28 CYS H H 8.446 0.01 1 133 202 28 CYS HA H 4.552 0.01 1 134 202 28 CYS C C 176.956 0.05 1 135 202 28 CYS CA C 60.381 0.1 1 136 202 28 CYS CB C 32.337 0.1 1 137 202 28 CYS N N 126.286 0.05 1 138 203 29 ASP H H 8.986 0.01 1 139 203 29 ASP HA H 4.681 0.01 1 140 203 29 ASP C C 176.611 0.05 1 141 203 29 ASP CA C 56.736 0.1 1 142 203 29 ASP CB C 40.921 0.1 1 143 203 29 ASP N N 127.028 0.05 1 144 204 30 ASN H H 8.899 0.01 1 145 204 30 ASN HA H 5.185 0.01 1 146 204 30 ASN C C 175.066 0.05 1 147 204 30 ASN CA C 50.992 0.1 1 148 204 30 ASN CB C 38.702 0.1 1 149 204 30 ASN N N 123.368 0.05 1 150 205 31 PRO HA H 4.416 0.01 1 151 205 31 PRO C C 176.774 0.05 1 152 205 31 PRO CA C 64.433 0.1 1 153 205 31 PRO CB C 32.062 0.1 1 154 206 32 ASP H H 7.243 0.01 1 155 206 32 ASP HA H 4.79 0.01 1 156 206 32 ASP C C 175.02 0.05 1 157 206 32 ASP CA C 53.367 0.1 1 158 206 32 ASP CB C 41.176 0.1 1 159 206 32 ASP N N 115.259 0.05 1 160 207 33 CYS H H 7.705 0.01 1 161 207 33 CYS HA H 4.052 0.01 1 162 207 33 CYS C C 176.321 0.05 1 163 207 33 CYS CA C 59.335 0.1 1 164 207 33 CYS CB C 31.289 0.1 1 165 207 33 CYS N N 126.633 0.05 1 166 208 34 PRO HA H 4.593 0.01 1 167 208 34 PRO C C 176.737 0.05 1 168 208 34 PRO CA C 63.908 0.1 1 169 209 35 ILE H H 8.575 0.01 1 170 209 35 ILE HA H 4.145 0.01 1 171 209 35 ILE C C 177.636 0.05 1 172 209 35 ILE CA C 63.162 0.1 1 173 209 35 ILE CB C 40.333 0.1 1 174 209 35 ILE N N 124.099 0.05 1 175 210 36 GLU H H 9.56 0.01 1 176 210 36 GLU HA H 3.743 0.01 1 177 210 36 GLU C C 176.022 0.05 1 178 210 36 GLU CA C 63.147 0.1 1 179 210 36 GLU CB C 30.148 0.1 1 180 210 36 GLU N N 120.291 0.05 1 181 211 37 TRP H H 7.943 0.01 1 182 211 37 TRP HA H 5.362 0.01 1 183 211 37 TRP C C 174.836 0.05 1 184 211 37 TRP CA C 56.122 0.1 1 185 211 37 TRP CB C 33.373 0.1 1 186 211 37 TRP N N 120.478 0.05 1 187 212 38 PHE H H 9.201 0.01 1 188 212 38 PHE C C 176.143 0.05 1 189 212 38 PHE CA C 56.205 0.1 1 190 212 38 PHE CB C 42.825 0.1 1 191 212 38 PHE N N 117.238 0.05 1 192 213 39 HIS H H 9.41 0.01 1 193 213 39 HIS HA H 5 0.01 1 194 213 39 HIS C C 178.16 0.05 1 195 213 39 HIS CA C 57.928 0.1 1 196 213 39 HIS CB C 30.829 0.1 1 197 213 39 HIS N N 122.788 0.05 1 198 214 40 PHE H H 8.44 0.01 1 199 214 40 PHE HA H 3.951 0.01 1 200 214 40 PHE C C 178.544 0.05 1 201 214 40 PHE CA C 60.869 0.1 1 202 214 40 PHE CB C 37.854 0.1 1 203 214 40 PHE N N 124.375 0.05 1 204 215 41 ALA H H 9.006 0.01 1 205 215 41 ALA HA H 4.358 0.01 1 206 215 41 ALA C C 181.063 0.05 1 207 215 41 ALA CA C 55.186 0.1 1 208 215 41 ALA CB C 18.445 0.1 1 209 215 41 ALA N N 116.148 0.05 1 210 216 42 CYS H H 7.437 0.01 1 211 216 42 CYS HA H 4.282 0.01 1 212 216 42 CYS C C 176.654 0.05 1 213 216 42 CYS CA C 62.323 0.1 1 214 216 42 CYS CB C 30.645 0.1 1 215 216 42 CYS N N 116.982 0.05 1 216 217 43 VAL H H 7.38 0.01 1 217 217 43 VAL HA H 4.664 0.01 1 218 217 43 VAL C C 173.818 0.05 1 219 217 43 VAL CA C 60.01 0.1 1 220 217 43 VAL CB C 31.235 0.1 1 221 217 43 VAL N N 108.156 0.05 1 222 218 44 ASP H H 7.656 0.01 1 223 218 44 ASP HA H 4.308 0.01 1 224 218 44 ASP C C 174.773 0.05 1 225 218 44 ASP CA C 55.739 0.1 1 226 218 44 ASP CB C 39.427 0.1 1 227 218 44 ASP N N 115.955 0.05 1 228 219 45 LEU H H 7.886 0.01 1 229 219 45 LEU HA H 4.671 0.01 1 230 219 45 LEU C C 177.299 0.05 1 231 219 45 LEU CA C 53.782 0.1 1 232 219 45 LEU CB C 44.581 0.1 1 233 219 45 LEU N N 117.711 0.05 1 234 220 46 THR C C 174.446 0.05 1 235 220 46 THR CA C 62.259 0.1 1 236 220 46 THR CB C 70.09 0.1 1 237 221 47 THR H H 7.465 0.01 1 238 221 47 THR HA H 4.55 0.01 1 239 221 47 THR C C 172.573 0.05 1 240 221 47 THR CA C 60.158 0.1 1 241 221 47 THR CB C 71.043 0.1 1 242 221 47 THR N N 114.943 0.05 1 243 222 48 LYS H H 8.662 0.01 1 244 222 48 LYS HA H 4.016 0.01 1 245 222 48 LYS C C 174.628 0.05 1 246 222 48 LYS CA C 55.275 0.1 1 247 222 48 LYS CB C 33.055 0.1 1 248 222 48 LYS N N 126.102 0.05 1 249 223 49 PRO C C 176.289 0.05 1 250 223 49 PRO CA C 62.9 0.1 1 251 224 50 LYS H H 8.538 0.01 1 252 224 50 LYS HA H 4.314 0.01 1 253 224 50 LYS C C 177.345 0.05 1 254 224 50 LYS CA C 56.606 0.1 1 255 224 50 LYS CB C 32.775 0.1 1 256 224 50 LYS N N 121.442 0.05 1 257 225 51 GLY H H 8.092 0.01 1 258 225 51 GLY C C 173.245 0.05 1 259 225 51 GLY CA C 44.377 0.1 1 260 225 51 GLY N N 110.382 0.05 1 261 226 52 LYS H H 8.197 0.01 1 262 226 52 LYS HA H 4.294 0.01 1 263 226 52 LYS C C 176.443 0.05 1 264 226 52 LYS CA C 56.277 0.1 1 265 226 52 LYS CB C 33.809 0.1 1 266 226 52 LYS N N 120.499 0.05 1 267 227 53 TRP H H 9.677 0.01 1 268 227 53 TRP HA H 4.344 0.01 1 269 227 53 TRP C C 172.123 0.05 1 270 227 53 TRP CA C 59.038 0.1 1 271 227 53 TRP CB C 31.284 0.1 1 272 227 53 TRP N N 126.516 0.05 1 273 228 54 PHE H H 6.91 0.01 1 274 228 54 PHE HA H 5.071 0.01 1 275 228 54 PHE C C 173.333 0.05 1 276 228 54 PHE CA C 54.096 0.1 1 277 228 54 PHE CB C 41.904 0.1 1 278 228 54 PHE N N 123.785 0.05 1 279 229 55 CYS H H 8.769 0.01 1 280 229 55 CYS HA H 3.536 0.01 1 281 229 55 CYS C C 172.974 0.05 1 282 229 55 CYS CA C 57.139 0.1 1 283 229 55 CYS CB C 30.894 0.1 1 284 229 55 CYS N N 125.978 0.05 1 285 230 56 PRO HA H 4.108 0.01 1 286 230 56 PRO C C 179.319 0.05 1 287 230 56 PRO CA C 65.514 0.1 1 288 230 56 PRO CB C 32.238 0.1 1 289 231 57 ARG H H 8.105 0.01 1 290 231 57 ARG HA H 4.22 0.01 1 291 231 57 ARG C C 178.687 0.05 1 292 231 57 ARG CA C 58.23 0.1 1 293 231 57 ARG CB C 29.805 0.1 1 294 231 57 ARG N N 117.618 0.05 1 295 232 58 CYS H H 8.868 0.01 1 296 232 58 CYS HA H 3.957 0.01 1 297 232 58 CYS C C 178.449 0.05 1 298 232 58 CYS CA C 64.538 0.1 1 299 232 58 CYS CB C 29.361 0.1 1 300 232 58 CYS N N 126.114 0.05 1 301 233 59 VAL H H 8.554 0.01 1 302 233 59 VAL HA H 3.425 0.01 1 303 233 59 VAL C C 177.547 0.05 1 304 233 59 VAL CA C 65.814 0.1 1 305 233 59 VAL CB C 31.683 0.1 1 306 233 59 VAL N N 120.146 0.05 1 307 234 60 GLN H H 7.486 0.01 1 308 234 60 GLN HA H 4.008 0.01 1 309 234 60 GLN C C 177.845 0.05 1 310 234 60 GLN CA C 57.872 0.1 1 311 234 60 GLN CB C 28.609 0.1 1 312 234 60 GLN N N 118.661 0.05 1 313 235 61 GLU H H 7.905 0.01 1 314 235 61 GLU HA H 4.044 0.01 1 315 235 61 GLU C C 177.801 0.05 1 316 235 61 GLU CA C 57.999 0.1 1 317 235 61 GLU CB C 29.938 0.1 1 318 235 61 GLU N N 119.339 0.05 1 319 236 62 LYS H H 7.814 0.01 1 320 236 62 LYS HA H 4.086 0.01 1 321 236 62 LYS C C 177.418 0.05 1 322 236 62 LYS CA C 57.231 0.1 1 323 236 62 LYS CB C 32.185 0.1 1 324 236 62 LYS N N 119.051 0.05 1 325 237 63 ARG H H 7.742 0.01 1 326 237 63 ARG C C 176.523 0.05 1 327 237 63 ARG CA C 56.786 0.1 1 328 237 63 ARG CB C 30.67 0.1 1 329 237 63 ARG N N 119.339 0.05 1 330 238 64 LYS H H 7.847 0.01 1 331 238 64 LYS C C 176.449 0.05 1 332 238 64 LYS CA C 56.734 0.1 1 333 238 64 LYS N N 120.995 0.05 1 334 239 65 LYS H H 8.115 0.01 1 335 239 65 LYS HA H 4.295 0.01 1 336 239 65 LYS C C 175.588 0.05 1 337 239 65 LYS CA C 56.438 0.1 1 338 239 65 LYS CB C 33.052 0.1 1 339 239 65 LYS N N 122.89 0.05 1 340 240 66 LYS H H 7.939 0.01 1 341 240 66 LYS HA H 4.128 0.01 1 342 240 66 LYS C C 181.364 0.05 1 343 240 66 LYS CA C 57.882 0.1 1 344 240 66 LYS CB C 33.679 0.1 1 345 240 66 LYS N N 128.219 0.05 1 stop_ save_