data_17569 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the ADD domain of ATRX complexed with histone tail H3 1-15 K9me3 ; _BMRB_accession_number 17569 _BMRB_flat_file_name bmr17569.str _Entry_type original _Submission_date 2011-04-08 _Accession_date 2011-04-08 _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 Eustermann Sebastian . . 2 Yang Ji-Chun . . 3 Neuhaus David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 813 "13C chemical shifts" 393 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-08 update BMRB 'update entry citation' 2011-06-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Combinatorial readout of histone H3 modifications specifies localization of ATRX to heterochromatin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21666677 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eustermann Sebastian . . 2 Yang Ji-Chun . . 3 Law Martin J. . 4 Amos Rachel . . 5 Chapman Lynda M. . 6 Jelinska Clare . . 7 Garrick David . . 8 Clynes David . . 9 Gibbons Richard J. . 10 Rhodes Daniela . . 11 Higgs Douglas R. . 12 Neuhaus David . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 18 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 777 _Page_last 782 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name . _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ATRX_ADD_domain $ATRX_ADD_domain H3_tail_1-15_K9me3 $H3_tail_1-15_K9me3 ZN1_1 $ZN ZN1_2 $ZN ZN1_3 $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_ATRX_ADD_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ATRX_ADD_domain _Molecular_mass 16274.673 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GAMADKRGDGLHGIVSCTAC GQQVNHFQKDSIYRHPSLQV LICKNCFKYYMSDDISRDSD GMDEQCRWCAEGGNLICCDF CHNAFCKKCILRNLGRKELS TIMDENNQWYCYICHPEPLL DLVTACNSVFENLEQLLQQN KK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 155 GLY 2 156 ALA 3 157 MET 4 158 ALA 5 159 ASP 6 160 LYS 7 161 ARG 8 162 GLY 9 163 ASP 10 164 GLY 11 165 LEU 12 166 HIS 13 167 GLY 14 168 ILE 15 169 VAL 16 170 SER 17 171 CYS 18 172 THR 19 173 ALA 20 174 CYS 21 175 GLY 22 176 GLN 23 177 GLN 24 178 VAL 25 179 ASN 26 180 HIS 27 181 PHE 28 182 GLN 29 183 LYS 30 184 ASP 31 185 SER 32 186 ILE 33 187 TYR 34 188 ARG 35 189 HIS 36 190 PRO 37 191 SER 38 192 LEU 39 193 GLN 40 194 VAL 41 195 LEU 42 196 ILE 43 197 CYS 44 198 LYS 45 199 ASN 46 200 CYS 47 201 PHE 48 202 LYS 49 203 TYR 50 204 TYR 51 205 MET 52 206 SER 53 207 ASP 54 208 ASP 55 209 ILE 56 210 SER 57 211 ARG 58 212 ASP 59 213 SER 60 214 ASP 61 215 GLY 62 216 MET 63 217 ASP 64 218 GLU 65 219 GLN 66 220 CYS 67 221 ARG 68 222 TRP 69 223 CYS 70 224 ALA 71 225 GLU 72 226 GLY 73 227 GLY 74 228 ASN 75 229 LEU 76 230 ILE 77 231 CYS 78 232 CYS 79 233 ASP 80 234 PHE 81 235 CYS 82 236 HIS 83 237 ASN 84 238 ALA 85 239 PHE 86 240 CYS 87 241 LYS 88 242 LYS 89 243 CYS 90 244 ILE 91 245 LEU 92 246 ARG 93 247 ASN 94 248 LEU 95 249 GLY 96 250 ARG 97 251 LYS 98 252 GLU 99 253 LEU 100 254 SER 101 255 THR 102 256 ILE 103 257 MET 104 258 ASP 105 259 GLU 106 260 ASN 107 261 ASN 108 262 GLN 109 263 TRP 110 264 TYR 111 265 CYS 112 266 TYR 113 267 ILE 114 268 CYS 115 269 HIS 116 270 PRO 117 271 GLU 118 272 PRO 119 273 LEU 120 274 LEU 121 275 ASP 122 276 LEU 123 277 VAL 124 278 THR 125 279 ALA 126 280 CYS 127 281 ASN 128 282 SER 129 283 VAL 130 284 PHE 131 285 GLU 132 286 ASN 133 287 LEU 134 288 GLU 135 289 GLN 136 290 LEU 137 291 LEU 138 292 GLN 139 293 GLN 140 294 ASN 141 295 LYS 142 296 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15001 ADD_domain_156-296 100.00 142 100.00 100.00 2.90e-100 PDB 2JM1 "Structures And Chemical Shift Assignments For The Add Domain Of The Atrx Protein" 100.70 141 97.90 97.90 6.31e-95 PDB 2LBM "Solution Structure Of The Add Domain Of Atrx Complexed With Histone Tail H3 1-15 K9me3" 100.00 142 100.00 100.00 2.90e-100 PDB 2LD1 "Structures And Chemical Shift Assignments For The Add Domain Of The Atrx Protein" 100.00 142 100.00 100.00 2.90e-100 DBJ BAC28096 "unnamed protein product [Mus musculus]" 94.37 922 98.51 99.25 1.36e-90 DBJ BAC40142 "unnamed protein product [Mus musculus]" 97.18 385 97.83 98.55 1.23e-95 DBJ BAC81110 "ATRX [Homo sapiens]" 97.18 2492 99.28 99.28 9.52e-93 DBJ BAC81111 "ATRX [Pan troglodytes]" 97.18 2492 99.28 99.28 9.52e-93 DBJ BAC81112 "ATRX [Pongo pygmaeus]" 97.18 2492 98.55 99.28 2.90e-92 EMBL CAB90351 "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" 94.37 2454 100.00 100.00 4.70e-92 EMBL CAI40710 "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" 97.18 2492 99.28 99.28 9.52e-93 EMBL CAI42674 "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" 97.18 2492 99.28 99.28 9.52e-93 EMBL CAI42675 "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" 94.37 2454 100.00 100.00 4.70e-92 EMBL CAI43115 "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" 97.18 2492 99.28 99.28 9.52e-93 GB AAB40698 "putative DNA dependent ATPase and helicase [Homo sapiens]" 97.18 2375 99.28 99.28 1.41e-92 GB AAB40699 "putative DNA dependent ATPase and helicase [Homo sapiens]" 94.37 2337 100.00 100.00 6.94e-92 GB AAB40700 "putative DNA dependent ATPase and helicase [Homo sapiens]" 64.79 2288 100.00 100.00 2.03e-59 GB AAB49969 "putative DNA dependent ATPase and helicase [Homo sapiens]" 64.79 2288 100.00 100.00 2.03e-59 GB AAB49970 "putative DNA dependent ATPase and helicase [Homo sapiens]" 97.18 2492 99.28 99.28 9.52e-93 REF NP_000480 "transcriptional regulator ATRX isoform 1 [Homo sapiens]" 97.18 2492 99.28 99.28 9.52e-93 REF NP_001009018 "transcriptional regulator ATRX [Pan troglodytes]" 97.18 2492 99.28 99.28 9.52e-93 REF NP_033556 "transcriptional regulator ATRX [Mus musculus]" 97.18 2476 97.83 98.55 2.08e-91 REF NP_612114 "transcriptional regulator ATRX isoform 2 [Homo sapiens]" 94.37 2454 100.00 100.00 4.61e-92 REF XP_001099671 "PREDICTED: transcriptional regulator ATRX isoform 2 [Macaca mulatta]" 94.37 2338 100.00 100.00 7.66e-92 SP P46100 "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" 97.18 2492 99.28 99.28 9.52e-93 SP Q61687 "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=HP1 alpha-interacting pr" 97.18 2476 97.83 98.55 2.08e-91 SP Q7YQM3 "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" 97.18 2492 98.55 99.28 2.90e-92 SP Q7YQM4 "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" 97.18 2492 99.28 99.28 9.52e-93 TPG DAA12976 "TPA: ATP-dependent helicase ATRX isoform 1 [Bos taurus]" 97.18 2479 99.28 99.28 1.51e-92 TPG DAA12977 "TPA: ATP-dependent helicase ATRX isoform 2 [Bos taurus]" 94.37 2441 100.00 100.00 7.43e-92 stop_ save_ save_H3_tail_1-15_K9me3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H3_tail_1-15_K9me3 _Molecular_mass 1607.892 _Mol_thiol_state 'not present' _Details . _Residue_count 15 _Mol_residue_sequence ARTKQTARXSTGGKA loop_ _Residue_seq_code _Residue_label 1 ALA 2 ARG 3 THR 4 LYS 5 GLN 6 THR 7 ALA 8 ARG 9 M3L 10 SER 11 THR 12 GLY 13 GLY 14 LYS 15 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_M3L _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common N-TRIMETHYLLYSINE _BMRB_code . _PDB_code M3L _Standard_residue_derivative . _Molecular_mass 189.275 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 11:54:40 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? CE CE C . 0 . ? NZ NZ N . 1 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CM1 CM1 C . 0 . ? CM2 CM2 C . 0 . ? CM3 CM3 C . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? HXT HXT H . 0 . ? HM11 HM11 H . 0 . ? HM12 HM12 H . 0 . ? HM13 HM13 H . 0 . ? HM21 HM21 H . 0 . ? HM22 HM22 H . 0 . ? HM23 HM23 H . 0 . ? HM31 HM31 H . 0 . ? HM32 HM32 H . 0 . ? HM33 HM33 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD CE ? ? SING CD HD2 ? ? SING CD HD3 ? ? SING CE NZ ? ? SING CE HE2 ? ? SING CE HE3 ? ? SING NZ CM1 ? ? SING NZ CM2 ? ? SING NZ CM3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CM1 HM11 ? ? SING CM1 HM12 ? ? SING CM1 HM13 ? ? SING CM2 HM21 ? ? SING CM2 HM22 ? ? SING CM2 HM23 ? ? SING CM3 HM31 ? ? SING CM3 HM32 ? ? SING CM3 HM33 ? ? stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 11:52:58 2011 ; 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 $ATRX_ADD_domain Human 9606 Eukaryota Metazoa Homo sapiens $H3_tail_1-15_K9me3 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 $ATRX_ADD_domain 'recombinant technology' . . . . pET30a $H3_tail_1-15_K9me3 'chemical synthesis' . . . . . 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 $ATRX_ADD_domain 200 uM '[U-98% 13C; U-98% 15N]' $H3_tail_1-15_K9me3 200 uM 'natural abundance' TRIS 50 mM '[U-99% 2H]' 'sodium chloride' 200 mM 'natural abundance' $ZN 150 uM 'natural abundance' DTT 1 mM '[U-99% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATRX_ADD_domain 200 uM '[U-98% 13C; U-98% 15N]' $H3_tail_1-15_K9me3 200 uM 'natural abundance' TRIS 50 mM '[U-99% 2H]' 'sodium chloride' 200 mM 'natural abundance' $ZN 150 uM 'natural abundance' DTT 1 mM '[U-99% 2H]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xplor-nih _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.19 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_sparky _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _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_2D_1H-13C_HSQC_aliphatic_(constant-time)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic (constant-time)' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_(constant-time)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic (constant-time)' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_(13C-H_rejected_in_F1_and_F2)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY (13C-H rejected in F1 and F2)' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H[C]CH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H[C]CH-TOCSY' _Sample_label $sample_1 save_ save_3D_[H]CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [H]CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_(13C-H_rejected_in_F1_and_F2)_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY (13C-H rejected in F1 and F2)' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_(15N-H_rejected_in_F2)_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY (15N-H rejected in F2)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_(rejected_13C-H_in_F1,_12C-H_in_F3)_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic (rejected 13C-H in F1, 12C-H in F3)' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_(13C-H_rejected_F1,_12C-H_rejected_F2)_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY (13C-H rejected F1, 12C-H rejected F2)' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_(13C-H_and_15N-H_rejected_in_F1_and_F2)_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY (13C-H and 15N-H rejected in F1 and F2)' _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' 250 . mM pH 7.0 . pH pressure 1 . atm temperature 300 . 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 TSP C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 TSP N 15 'methyl protons' ppm 0.0 external 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic (constant-time)' '2D 1H-13C HSQC aromatic (constant-time)' '2D 1H-1H NOESY (13C-H rejected in F1 and F2)' '3D HNCA' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D H[C]CH-TOCSY' '3D [H]CCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H TOCSY (13C-H rejected in F1 and F2)' '2D 1H-1H NOESY (13C-H rejected F1, 12C-H rejected F2)' '2D 1H-1H NOESY (13C-H and 15N-H rejected in F1 and F2)' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ATRX_ADD_domain _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 1 156 2 ALA HA H 4.387 0.020 1 2 156 2 ALA HB H 1.442 0.020 1 3 156 2 ALA CA C 52.445 0.100 1 4 156 2 ALA CB C 19.256 0.100 1 5 157 3 MET HA H 4.476 0.020 1 6 157 3 MET HB2 H 2.106 0.020 1 7 157 3 MET HB3 H 2.106 0.020 1 8 157 3 MET HE H 2.143 0.020 1 9 157 3 MET CA C 55.401 0.100 1 10 157 3 MET CE C 16.874 0.100 1 11 158 4 ALA H H 8.382 0.020 1 12 158 4 ALA HA H 4.314 0.020 1 13 158 4 ALA HB H 1.426 0.020 1 14 158 4 ALA CA C 52.511 0.100 1 15 158 4 ALA CB C 19.001 0.100 1 16 158 4 ALA N N 124.828 0.100 1 17 159 5 ASP H H 8.312 0.020 1 18 159 5 ASP HA H 4.590 0.020 1 19 159 5 ASP HB2 H 2.670 0.020 2 20 159 5 ASP HB3 H 2.744 0.020 2 21 159 5 ASP CA C 54.136 0.100 1 22 159 5 ASP CB C 41.015 0.100 1 23 159 5 ASP N N 119.418 0.100 1 24 160 6 LYS H H 8.274 0.020 1 25 160 6 LYS HA H 4.343 0.020 1 26 160 6 LYS HB2 H 1.781 0.020 2 27 160 6 LYS HB3 H 1.906 0.020 2 28 160 6 LYS N N 121.604 0.100 1 29 161 7 ARG H H 8.430 0.020 1 30 161 7 ARG HA H 4.327 0.020 1 31 161 7 ARG HB2 H 1.847 0.020 1 32 161 7 ARG HB3 H 1.847 0.020 1 33 161 7 ARG N N 121.611 0.100 1 34 162 8 GLY H H 8.473 0.020 1 35 162 8 GLY HA2 H 3.997 0.020 1 36 162 8 GLY HA3 H 3.997 0.020 1 37 162 8 GLY CA C 45.047 0.100 1 38 162 8 GLY N N 109.606 0.100 1 39 163 9 ASP H H 8.296 0.020 1 40 163 9 ASP HA H 4.649 0.020 1 41 163 9 ASP HB2 H 2.720 0.020 1 42 163 9 ASP HB3 H 2.720 0.020 1 43 163 9 ASP CA C 54.151 0.100 1 44 163 9 ASP N N 120.187 0.100 1 45 164 10 GLY H H 8.458 0.020 1 46 164 10 GLY HA2 H 3.954 0.020 1 47 164 10 GLY HA3 H 3.954 0.020 1 48 164 10 GLY CA C 45.367 0.100 1 49 164 10 GLY N N 108.816 0.100 1 50 165 11 LEU H H 8.137 0.020 1 51 165 11 LEU HA H 4.316 0.020 1 52 165 11 LEU HB2 H 1.460 0.020 2 53 165 11 LEU HB3 H 1.552 0.020 2 54 165 11 LEU HD1 H 0.803 0.020 2 55 165 11 LEU HD2 H 0.855 0.020 2 56 165 11 LEU CA C 55.000 0.100 1 57 165 11 LEU CB C 41.932 0.100 1 58 165 11 LEU CD1 C 23.314 0.100 2 59 165 11 LEU CD2 C 24.821 0.100 2 60 165 11 LEU N N 121.195 0.100 1 61 166 12 HIS H H 8.270 0.020 1 62 166 12 HIS HA H 4.655 0.020 1 63 166 12 HIS HB2 H 3.078 0.020 2 64 166 12 HIS HB3 H 3.188 0.020 2 65 166 12 HIS HD2 H 7.048 0.020 1 66 166 12 HIS HE1 H 7.824 0.020 1 67 166 12 HIS CA C 56.269 0.100 1 68 166 12 HIS CB C 30.697 0.100 1 69 166 12 HIS CD2 C 120.108 0.100 1 70 166 12 HIS CE1 C 138.277 0.100 1 71 166 12 HIS N N 119.387 0.100 1 72 167 13 GLY H H 8.276 0.020 1 73 167 13 GLY HA2 H 3.903 0.020 1 74 167 13 GLY HA3 H 3.903 0.020 1 75 167 13 GLY CA C 45.105 0.100 1 76 167 13 GLY N N 109.899 0.100 1 77 168 14 ILE H H 7.962 0.020 1 78 168 14 ILE HA H 4.323 0.020 1 79 168 14 ILE HB H 1.822 0.020 1 80 168 14 ILE HG12 H 1.177 0.020 2 81 168 14 ILE HG13 H 1.491 0.020 2 82 168 14 ILE HG2 H 0.859 0.020 1 83 168 14 ILE HD1 H 0.851 0.020 1 84 168 14 ILE CA C 60.600 0.100 1 85 168 14 ILE CB C 38.950 0.100 1 86 168 14 ILE CG1 C 26.883 0.100 1 87 168 14 ILE CG2 C 17.375 0.100 1 88 168 14 ILE CD1 C 12.624 0.100 1 89 168 14 ILE N N 119.597 0.100 1 90 169 15 VAL H H 9.011 0.020 1 91 169 15 VAL HA H 4.280 0.020 1 92 169 15 VAL HB H 1.956 0.020 1 93 169 15 VAL HG1 H 0.561 0.020 2 94 169 15 VAL HG2 H 0.784 0.020 2 95 169 15 VAL CA C 61.317 0.100 1 96 169 15 VAL CB C 33.402 0.100 1 97 169 15 VAL CG1 C 20.310 0.100 2 98 169 15 VAL CG2 C 22.120 0.100 2 99 169 15 VAL N N 127.578 0.100 1 100 170 16 SER H H 8.242 0.020 1 101 170 16 SER HA H 5.140 0.020 1 102 170 16 SER HB2 H 3.484 0.020 1 103 170 16 SER HB3 H 3.484 0.020 1 104 170 16 SER HG H 5.214 0.020 1 105 170 16 SER CA C 55.985 0.100 1 106 170 16 SER CB C 65.261 0.100 1 107 170 16 SER N N 118.596 0.100 1 108 171 17 CYS H H 8.894 0.020 1 109 171 17 CYS HA H 4.181 0.020 1 110 171 17 CYS HB2 H 2.884 0.020 1 111 171 17 CYS HB3 H 3.574 0.020 1 112 171 17 CYS CA C 59.844 0.100 1 113 171 17 CYS CB C 31.373 0.100 1 114 171 17 CYS N N 123.783 0.100 1 115 172 18 THR H H 8.788 0.020 1 116 172 18 THR HA H 4.386 0.020 1 117 172 18 THR HB H 4.794 0.020 1 118 172 18 THR HG2 H 1.879 0.020 1 119 172 18 THR CA C 64.667 0.100 1 120 172 18 THR CB C 69.498 0.100 1 121 172 18 THR CG2 C 22.698 0.100 1 122 172 18 THR N N 121.703 0.100 1 123 173 19 ALA H H 9.680 0.020 1 124 173 19 ALA HA H 4.496 0.020 1 125 173 19 ALA HB H 1.906 0.020 1 126 173 19 ALA CA C 54.025 0.100 1 127 173 19 ALA CB C 22.182 0.100 1 128 173 19 ALA N N 131.364 0.100 1 129 174 20 CYS H H 8.470 0.020 1 130 174 20 CYS HA H 4.968 0.020 1 131 174 20 CYS HB2 H 2.691 0.020 1 132 174 20 CYS HB3 H 3.234 0.020 1 133 174 20 CYS CA C 58.094 0.100 1 134 174 20 CYS CB C 33.244 0.100 1 135 174 20 CYS N N 115.498 0.100 1 136 175 21 GLY H H 7.884 0.020 1 137 175 21 GLY HA2 H 3.913 0.020 2 138 175 21 GLY HA3 H 4.260 0.020 2 139 175 21 GLY CA C 45.706 0.100 1 140 175 21 GLY N N 112.464 0.100 1 141 176 22 GLN H H 8.723 0.020 1 142 176 22 GLN HA H 4.376 0.020 1 143 176 22 GLN HB2 H 2.134 0.020 1 144 176 22 GLN HB3 H 2.317 0.020 1 145 176 22 GLN HG2 H 2.553 0.020 1 146 176 22 GLN HG3 H 2.553 0.020 1 147 176 22 GLN HE21 H 6.927 0.020 2 148 176 22 GLN HE22 H 7.791 0.020 2 149 176 22 GLN CA C 56.291 0.100 1 150 176 22 GLN CB C 29.341 0.100 1 151 176 22 GLN CG C 34.341 0.100 1 152 176 22 GLN N N 121.784 0.100 1 153 176 22 GLN NE2 N 113.588 0.100 1 154 177 23 GLN H H 8.721 0.020 1 155 177 23 GLN HA H 4.530 0.020 1 156 177 23 GLN HB2 H 1.979 0.020 2 157 177 23 GLN HB3 H 2.083 0.020 2 158 177 23 GLN HG2 H 2.371 0.020 2 159 177 23 GLN HG3 H 2.542 0.020 2 160 177 23 GLN HE21 H 6.902 0.020 2 161 177 23 GLN HE22 H 7.698 0.020 2 162 177 23 GLN CA C 56.550 0.100 1 163 177 23 GLN CB C 28.460 0.100 1 164 177 23 GLN N N 122.900 0.100 1 165 177 23 GLN NE2 N 111.615 0.100 1 166 178 24 VAL H H 8.689 0.020 1 167 178 24 VAL HA H 4.524 0.020 1 168 178 24 VAL HB H 1.925 0.020 1 169 178 24 VAL HG1 H 0.770 0.020 2 170 178 24 VAL HG2 H 0.862 0.020 2 171 178 24 VAL CA C 59.877 0.100 1 172 178 24 VAL CG1 C 19.652 0.100 2 173 178 24 VAL CG2 C 21.760 0.100 2 174 178 24 VAL N N 121.000 0.100 1 175 179 25 ASN H H 8.635 0.020 1 176 179 25 ASN HA H 4.876 0.020 1 177 179 25 ASN HB2 H 2.709 0.020 1 178 179 25 ASN HB3 H 2.924 0.020 1 179 179 25 ASN HD21 H 6.972 0.020 2 180 179 25 ASN HD22 H 7.563 0.020 2 181 179 25 ASN CA C 52.149 0.100 1 182 179 25 ASN CB C 37.977 0.100 1 183 179 25 ASN N N 121.392 0.100 1 184 179 25 ASN ND2 N 111.143 0.100 1 185 180 26 HIS HD2 H 6.578 0.020 1 186 180 26 HIS HE1 H 7.963 0.020 1 187 180 26 HIS CD2 C 118.570 0.100 1 188 180 26 HIS CE1 C 138.640 0.100 1 189 181 27 PHE HA H 4.460 0.020 1 190 181 27 PHE HB2 H 2.862 0.020 2 191 181 27 PHE HB3 H 3.092 0.020 2 192 181 27 PHE HD1 H 6.974 0.020 1 193 181 27 PHE HD2 H 6.974 0.020 1 194 181 27 PHE HE1 H 7.196 0.020 1 195 181 27 PHE HE2 H 7.196 0.020 1 196 181 27 PHE HZ H 7.232 0.020 1 197 181 27 PHE CA C 56.998 0.100 1 198 181 27 PHE CB C 38.393 0.100 1 199 181 27 PHE CD1 C 130.918 0.100 1 200 181 27 PHE CD2 C 130.918 0.100 1 201 181 27 PHE CE1 C 130.840 0.100 1 202 181 27 PHE CE2 C 130.840 0.100 1 203 181 27 PHE CZ C 128.603 0.100 1 204 182 28 GLN H H 7.494 0.020 1 205 182 28 GLN HA H 4.518 0.020 1 206 182 28 GLN HB2 H 1.970 0.020 1 207 182 28 GLN HB3 H 2.186 0.020 1 208 182 28 GLN HG2 H 2.352 0.020 1 209 182 28 GLN HG3 H 2.352 0.020 1 210 182 28 GLN CA C 54.342 0.100 1 211 182 28 GLN CB C 30.350 0.100 1 212 182 28 GLN N N 119.300 0.100 1 213 183 29 LYS H H 8.779 0.020 1 214 183 29 LYS HA H 3.922 0.020 1 215 183 29 LYS HB2 H 1.819 0.020 1 216 183 29 LYS HB3 H 1.819 0.020 1 217 183 29 LYS HG2 H 1.464 0.020 1 218 183 29 LYS HG3 H 1.464 0.020 1 219 183 29 LYS HE2 H 3.050 0.020 1 220 183 29 LYS HE3 H 3.050 0.020 1 221 183 29 LYS CA C 58.312 0.100 1 222 183 29 LYS CB C 32.286 0.100 1 223 183 29 LYS CG C 24.584 0.100 1 224 183 29 LYS N N 124.516 0.100 1 225 184 30 ASP H H 8.556 0.020 1 226 184 30 ASP HA H 4.459 0.020 1 227 184 30 ASP HB2 H 2.822 0.020 2 228 184 30 ASP HB3 H 2.879 0.020 2 229 184 30 ASP CA C 54.536 0.100 1 230 184 30 ASP CB C 39.971 0.100 1 231 184 30 ASP N N 116.500 0.100 1 232 185 31 SER H H 7.933 0.020 1 233 185 31 SER HA H 4.695 0.020 1 234 185 31 SER HB2 H 4.001 0.020 1 235 185 31 SER HB3 H 4.001 0.020 1 236 185 31 SER CA C 59.747 0.100 1 237 185 31 SER CB C 65.198 0.100 1 238 185 31 SER N N 111.505 0.100 1 239 186 32 ILE H H 7.105 0.020 1 240 186 32 ILE HA H 4.886 0.020 1 241 186 32 ILE HB H 1.493 0.020 1 242 186 32 ILE HG12 H 0.844 0.020 2 243 186 32 ILE HG13 H 1.200 0.020 2 244 186 32 ILE HG2 H 0.688 0.020 1 245 186 32 ILE HD1 H 0.092 0.020 1 246 186 32 ILE CA C 59.579 0.100 1 247 186 32 ILE CB C 41.812 0.100 1 248 186 32 ILE CG1 C 24.404 0.100 1 249 186 32 ILE CG2 C 19.306 0.100 1 250 186 32 ILE CD1 C 13.800 0.100 1 251 186 32 ILE N N 113.394 0.100 1 252 187 33 TYR H H 8.954 0.020 1 253 187 33 TYR HA H 4.523 0.020 1 254 187 33 TYR HB2 H 2.348 0.020 2 255 187 33 TYR HB3 H 2.510 0.020 2 256 187 33 TYR HD1 H 6.274 0.020 1 257 187 33 TYR HD2 H 6.274 0.020 1 258 187 33 TYR HE1 H 6.410 0.020 1 259 187 33 TYR HE2 H 6.410 0.020 1 260 187 33 TYR CA C 57.260 0.100 1 261 187 33 TYR CB C 43.440 0.100 1 262 187 33 TYR CD1 C 131.859 0.100 1 263 187 33 TYR CD2 C 131.859 0.100 1 264 187 33 TYR CE1 C 117.459 0.100 1 265 187 33 TYR CE2 C 117.459 0.100 1 266 187 33 TYR N N 119.098 0.100 1 267 188 34 ARG H H 8.412 0.020 1 268 188 34 ARG HA H 4.637 0.020 1 269 188 34 ARG HB2 H 1.282 0.020 2 270 188 34 ARG HB3 H 1.409 0.020 2 271 188 34 ARG CA C 54.752 0.100 1 272 188 34 ARG CB C 31.251 0.100 1 273 188 34 ARG N N 118.502 0.100 1 274 189 35 HIS H H 9.813 0.020 1 275 189 35 HIS HA H 4.592 0.020 1 276 189 35 HIS HB2 H 2.871 0.020 1 277 189 35 HIS HB3 H 3.044 0.020 1 278 189 35 HIS HD2 H 7.234 0.020 1 279 189 35 HIS HE1 H 7.655 0.020 1 280 189 35 HIS CA C 55.721 0.100 1 281 189 35 HIS CB C 32.472 0.100 1 282 189 35 HIS CD2 C 118.322 0.100 1 283 189 35 HIS CE1 C 140.103 0.100 1 284 189 35 HIS N N 126.596 0.100 1 285 190 36 PRO HA H 4.298 0.020 1 286 190 36 PRO HB2 H 1.935 0.020 2 287 190 36 PRO HB3 H 2.569 0.020 2 288 190 36 PRO HD2 H 3.791 0.020 2 289 190 36 PRO HD3 H 2.025 0.020 2 290 190 36 PRO CA C 65.276 0.100 1 291 190 36 PRO CB C 32.851 0.100 1 292 190 36 PRO CD C 49.862 0.100 1 293 191 37 SER H H 8.934 0.020 1 294 191 37 SER HA H 4.918 0.020 1 295 191 37 SER HB2 H 3.809 0.020 2 296 191 37 SER HB3 H 3.920 0.020 2 297 191 37 SER CA C 59.031 0.100 1 298 191 37 SER CB C 65.104 0.100 1 299 191 37 SER N N 110.003 0.100 1 300 192 38 LEU H H 8.649 0.020 1 301 192 38 LEU HA H 4.129 0.020 1 302 192 38 LEU HB2 H 0.605 0.020 2 303 192 38 LEU HB3 H 0.754 0.020 2 304 192 38 LEU HG H 0.733 0.020 1 305 192 38 LEU HD1 H -0.634 0.020 2 306 192 38 LEU HD2 H 0.393 0.020 2 307 192 38 LEU CA C 55.146 0.100 1 308 192 38 LEU CB C 43.996 0.100 1 309 192 38 LEU CG C 26.662 0.100 1 310 192 38 LEU CD1 C 24.560 0.100 2 311 192 38 LEU CD2 C 22.505 0.100 2 312 192 38 LEU N N 120.959 0.100 1 313 193 39 GLN H H 8.465 0.020 1 314 193 39 GLN HA H 3.905 0.020 1 315 193 39 GLN HB2 H 2.349 0.020 2 316 193 39 GLN HB3 H 2.464 0.020 2 317 193 39 GLN HG2 H 2.045 0.020 2 318 193 39 GLN HG3 H 2.317 0.020 2 319 193 39 GLN HE21 H 6.584 0.020 2 320 193 39 GLN HE22 H 7.042 0.020 2 321 193 39 GLN CA C 56.814 0.100 1 322 193 39 GLN CB C 25.034 0.100 1 323 193 39 GLN CG C 33.158 0.100 1 324 193 39 GLN N N 108.600 0.100 1 325 193 39 GLN NE2 N 112.099 0.100 1 326 194 40 VAL H H 6.256 0.020 1 327 194 40 VAL HA H 4.550 0.020 1 328 194 40 VAL HB H 2.651 0.020 1 329 194 40 VAL HG1 H 0.619 0.020 2 330 194 40 VAL HG2 H 0.749 0.020 2 331 194 40 VAL CA C 58.641 0.100 1 332 194 40 VAL CG1 C 18.350 0.100 2 333 194 40 VAL CG2 C 22.570 0.100 2 334 194 40 VAL N N 105.325 0.100 1 335 195 41 LEU H H 9.154 0.020 1 336 195 41 LEU HA H 4.816 0.020 1 337 195 41 LEU HB2 H 1.691 0.020 1 338 195 41 LEU HB3 H 2.037 0.020 1 339 195 41 LEU HD1 H 0.887 0.020 2 340 195 41 LEU HD2 H 1.032 0.020 2 341 195 41 LEU CA C 58.182 0.100 1 342 195 41 LEU CB C 43.570 0.100 1 343 195 41 LEU CD1 C 25.283 0.100 2 344 195 41 LEU CD2 C 26.804 0.100 2 345 195 41 LEU N N 123.100 0.100 1 346 196 42 ILE H H 9.766 0.020 1 347 196 42 ILE HA H 6.352 0.020 1 348 196 42 ILE HB H 2.371 0.020 1 349 196 42 ILE HG2 H 1.403 0.020 1 350 196 42 ILE HD1 H 0.940 0.020 1 351 196 42 ILE CA C 59.230 0.100 1 352 196 42 ILE CB C 43.270 0.100 1 353 196 42 ILE CG2 C 19.266 0.100 1 354 196 42 ILE CD1 C 13.763 0.100 1 355 196 42 ILE N N 124.396 0.100 1 356 197 43 CYS H H 9.882 0.020 1 357 197 43 CYS HA H 5.262 0.020 1 358 197 43 CYS HB2 H 2.953 0.020 1 359 197 43 CYS HB3 H 3.817 0.020 1 360 197 43 CYS CA C 56.703 0.100 1 361 197 43 CYS CB C 33.300 0.100 1 362 197 43 CYS N N 121.500 0.100 1 363 198 44 LYS H H 8.089 0.020 1 364 198 44 LYS HA H 3.989 0.020 1 365 198 44 LYS HB2 H 2.078 0.020 2 366 198 44 LYS HB3 H 2.284 0.020 2 367 198 44 LYS HG2 H 1.541 0.020 1 368 198 44 LYS HG3 H 1.541 0.020 1 369 198 44 LYS HD2 H 1.943 0.020 1 370 198 44 LYS HD3 H 1.943 0.020 1 371 198 44 LYS CA C 59.660 0.100 1 372 198 44 LYS CB C 32.700 0.100 1 373 198 44 LYS N N 117.995 0.100 1 374 199 45 ASN H H 8.356 0.020 1 375 199 45 ASN HA H 4.514 0.020 1 376 199 45 ASN HB2 H 2.910 0.020 1 377 199 45 ASN HB3 H 3.097 0.020 1 378 199 45 ASN HD21 H 7.087 0.020 2 379 199 45 ASN HD22 H 7.969 0.020 2 380 199 45 ASN CA C 56.720 0.100 1 381 199 45 ASN CB C 38.167 0.100 1 382 199 45 ASN N N 119.200 0.100 1 383 199 45 ASN ND2 N 114.154 0.100 1 384 200 46 CYS H H 9.189 0.020 1 385 200 46 CYS HA H 4.181 0.020 1 386 200 46 CYS HB2 H 3.114 0.020 1 387 200 46 CYS HB3 H 3.219 0.020 1 388 200 46 CYS CA C 65.495 0.100 1 389 200 46 CYS CB C 28.182 0.100 1 390 200 46 CYS N N 126.600 0.100 1 391 201 47 PHE H H 8.826 0.020 1 392 201 47 PHE HA H 3.870 0.020 1 393 201 47 PHE HB2 H 2.549 0.020 2 394 201 47 PHE HB3 H 2.582 0.020 2 395 201 47 PHE HD1 H 6.599 0.020 1 396 201 47 PHE HD2 H 6.599 0.020 1 397 201 47 PHE HE1 H 7.245 0.020 1 398 201 47 PHE HE2 H 7.245 0.020 1 399 201 47 PHE HZ H 7.346 0.020 1 400 201 47 PHE CA C 62.269 0.100 1 401 201 47 PHE CB C 39.167 0.100 1 402 201 47 PHE CD1 C 130.720 0.100 1 403 201 47 PHE CD2 C 130.720 0.100 1 404 201 47 PHE CE1 C 131.121 0.100 1 405 201 47 PHE CE2 C 131.121 0.100 1 406 201 47 PHE CZ C 129.509 0.100 1 407 201 47 PHE N N 121.962 0.100 1 408 202 48 LYS H H 8.512 0.020 1 409 202 48 LYS HA H 3.698 0.020 1 410 202 48 LYS HB2 H 1.894 0.020 2 411 202 48 LYS HB3 H 2.015 0.020 2 412 202 48 LYS HE2 H 3.058 0.020 1 413 202 48 LYS HE3 H 3.058 0.020 1 414 202 48 LYS CA C 58.952 0.100 1 415 202 48 LYS CB C 31.542 0.100 1 416 202 48 LYS N N 117.400 0.100 1 417 203 49 TYR H H 8.133 0.020 1 418 203 49 TYR HA H 4.414 0.020 1 419 203 49 TYR HB2 H 3.110 0.020 1 420 203 49 TYR HB3 H 3.304 0.020 1 421 203 49 TYR HD1 H 7.299 0.020 1 422 203 49 TYR HD2 H 7.299 0.020 1 423 203 49 TYR HE1 H 6.794 0.020 1 424 203 49 TYR HE2 H 6.794 0.020 1 425 203 49 TYR CA C 60.772 0.100 1 426 203 49 TYR CB C 38.446 0.100 1 427 203 49 TYR CD1 C 132.550 0.100 1 428 203 49 TYR CD2 C 132.550 0.100 1 429 203 49 TYR CE1 C 119.239 0.100 1 430 203 49 TYR CE2 C 119.239 0.100 1 431 203 49 TYR N N 120.400 0.100 1 432 204 50 TYR H H 8.765 0.020 1 433 204 50 TYR HA H 3.495 0.020 1 434 204 50 TYR HB2 H 2.870 0.020 2 435 204 50 TYR HB3 H 3.099 0.020 2 436 204 50 TYR HD1 H 6.803 0.020 1 437 204 50 TYR HD2 H 6.803 0.020 1 438 204 50 TYR HE1 H 7.157 0.020 1 439 204 50 TYR HE2 H 7.157 0.020 1 440 204 50 TYR CA C 61.950 0.100 1 441 204 50 TYR CB C 38.492 0.100 1 442 204 50 TYR CD1 C 132.700 0.100 1 443 204 50 TYR CD2 C 132.700 0.100 1 444 204 50 TYR CE1 C 117.836 0.100 1 445 204 50 TYR CE2 C 117.836 0.100 1 446 204 50 TYR N N 121.783 0.100 1 447 205 51 MET H H 7.771 0.020 1 448 205 51 MET HA H 4.349 0.020 1 449 205 51 MET HB2 H 1.656 0.020 2 450 205 51 MET HB3 H 1.856 0.020 2 451 205 51 MET HE H 2.026 0.020 1 452 205 51 MET CA C 53.505 0.100 1 453 205 51 MET CB C 30.384 0.100 1 454 205 51 MET CE C 15.527 0.100 1 455 205 51 MET N N 110.800 0.100 1 456 206 52 SER H H 7.581 0.020 1 457 206 52 SER HA H 3.919 0.020 1 458 206 52 SER HB2 H 3.824 0.020 2 459 206 52 SER HB3 H 4.231 0.020 2 460 206 52 SER CA C 61.621 0.100 1 461 206 52 SER CB C 62.611 0.100 1 462 206 52 SER N N 116.800 0.100 1 463 207 53 ASP H H 7.085 0.020 1 464 207 53 ASP HA H 4.572 0.020 1 465 207 53 ASP HB2 H 2.136 0.020 2 466 207 53 ASP HB3 H 2.600 0.020 2 467 207 53 ASP CA C 53.099 0.100 1 468 207 53 ASP CB C 43.188 0.100 1 469 207 53 ASP N N 117.400 0.100 1 470 208 54 ASP H H 8.439 0.020 1 471 208 54 ASP HA H 4.389 0.020 1 472 208 54 ASP HB2 H 2.377 0.020 1 473 208 54 ASP HB3 H 2.502 0.020 1 474 208 54 ASP CA C 53.900 0.100 1 475 208 54 ASP CB C 41.349 0.100 1 476 208 54 ASP N N 119.405 0.100 1 477 209 55 ILE H H 8.128 0.020 1 478 209 55 ILE HA H 4.000 0.020 1 479 209 55 ILE HB H 1.592 0.020 1 480 209 55 ILE HG12 H 0.872 0.020 2 481 209 55 ILE HG13 H 1.759 0.020 2 482 209 55 ILE HG2 H 1.038 0.020 1 483 209 55 ILE HD1 H 0.735 0.020 1 484 209 55 ILE CA C 62.278 0.100 1 485 209 55 ILE CB C 39.291 0.100 1 486 209 55 ILE CG1 C 28.432 0.100 1 487 209 55 ILE CG2 C 15.927 0.100 1 488 209 55 ILE CD1 C 12.770 0.100 1 489 209 55 ILE N N 124.698 0.100 1 490 210 56 SER H H 8.815 0.020 1 491 210 56 SER HA H 4.365 0.020 1 492 210 56 SER HB2 H 3.907 0.020 2 493 210 56 SER HB3 H 4.130 0.020 2 494 210 56 SER CA C 57.769 0.100 1 495 210 56 SER CB C 64.991 0.100 1 496 210 56 SER N N 126.703 0.100 1 497 211 57 ARG H H 8.365 0.020 1 498 211 57 ARG HA H 5.042 0.020 1 499 211 57 ARG HB2 H 1.485 0.020 2 500 211 57 ARG HB3 H 1.616 0.020 2 501 211 57 ARG HG2 H 1.490 0.020 2 502 211 57 ARG HG3 H 1.874 0.020 2 503 211 57 ARG HD2 H 2.953 0.020 1 504 211 57 ARG HD3 H 2.953 0.020 1 505 211 57 ARG CA C 54.400 0.100 1 506 211 57 ARG CB C 34.284 0.100 1 507 211 57 ARG CG C 26.800 0.100 1 508 211 57 ARG N N 116.885 0.100 1 509 212 58 ASP H H 8.706 0.020 1 510 212 58 ASP HA H 4.615 0.020 1 511 212 58 ASP HB2 H 2.814 0.020 2 512 212 58 ASP HB3 H 3.346 0.020 2 513 212 58 ASP CA C 52.222 0.100 1 514 212 58 ASP CB C 41.502 0.100 1 515 212 58 ASP N N 121.982 0.100 1 516 213 59 SER H H 8.687 0.020 1 517 213 59 SER HA H 4.212 0.020 1 518 213 59 SER HB2 H 3.952 0.020 2 519 213 59 SER HB3 H 4.047 0.020 2 520 213 59 SER CA C 60.840 0.100 1 521 213 59 SER CB C 62.714 0.100 1 522 213 59 SER N N 114.164 0.100 1 523 214 60 ASP H H 8.193 0.020 1 524 214 60 ASP HA H 4.825 0.020 1 525 214 60 ASP HB2 H 2.727 0.020 2 526 214 60 ASP HB3 H 2.863 0.020 2 527 214 60 ASP CA C 54.211 0.100 1 528 214 60 ASP CB C 41.558 0.100 1 529 214 60 ASP N N 120.899 0.100 1 530 215 61 GLY H H 8.234 0.020 1 531 215 61 GLY HA2 H 3.600 0.020 2 532 215 61 GLY HA3 H 4.226 0.020 2 533 215 61 GLY CA C 45.397 0.100 1 534 215 61 GLY N N 108.300 0.100 1 535 216 62 MET H H 8.376 0.020 1 536 216 62 MET HA H 4.972 0.020 1 537 216 62 MET HB2 H 2.110 0.020 2 538 216 62 MET HB3 H 2.329 0.020 2 539 216 62 MET HE H 2.225 0.020 1 540 216 62 MET CA C 53.151 0.100 1 541 216 62 MET CB C 32.311 0.100 1 542 216 62 MET CE C 16.744 0.100 1 543 216 62 MET N N 120.002 0.100 1 544 217 63 ASP H H 9.368 0.020 1 545 217 63 ASP HA H 4.966 0.020 1 546 217 63 ASP HB2 H 2.722 0.020 1 547 217 63 ASP HB3 H 2.722 0.020 1 548 217 63 ASP CA C 55.569 0.100 1 549 217 63 ASP N N 127.300 0.100 1 550 218 64 GLU H H 8.583 0.020 1 551 218 64 GLU HA H 4.156 0.020 1 552 218 64 GLU HB2 H 2.097 0.020 2 553 218 64 GLU HB3 H 2.145 0.020 2 554 218 64 GLU CA C 55.850 0.100 1 555 218 64 GLU N N 114.400 0.100 1 556 219 65 GLN H H 7.158 0.020 1 557 219 65 GLN HA H 4.311 0.020 1 558 219 65 GLN HB2 H 2.113 0.020 2 559 219 65 GLN HB3 H 2.195 0.020 2 560 219 65 GLN HG2 H 2.750 0.020 1 561 219 65 GLN HG3 H 2.750 0.020 1 562 219 65 GLN CA C 55.346 0.100 1 563 219 65 GLN N N 115.500 0.100 1 564 220 66 CYS H H 8.248 0.020 1 565 220 66 CYS HA H 4.077 0.020 1 566 220 66 CYS HB2 H 2.912 0.020 1 567 220 66 CYS HB3 H 3.037 0.020 1 568 220 66 CYS CA C 57.529 0.100 1 569 220 66 CYS CB C 31.972 0.100 1 570 220 66 CYS N N 122.600 0.100 1 571 221 67 ARG H H 9.145 0.020 1 572 221 67 ARG HA H 4.067 0.020 1 573 221 67 ARG CA C 55.016 0.100 1 574 221 67 ARG N N 130.363 0.100 1 575 222 68 TRP H H 9.689 0.020 1 576 222 68 TRP HA H 4.436 0.020 1 577 222 68 TRP HB2 H 3.247 0.020 1 578 222 68 TRP HB3 H 3.247 0.020 1 579 222 68 TRP HD1 H 7.079 0.020 1 580 222 68 TRP HE1 H 10.120 0.020 1 581 222 68 TRP HE3 H 6.416 0.020 1 582 222 68 TRP HZ2 H 6.999 0.020 1 583 222 68 TRP HZ3 H 7.527 0.020 1 584 222 68 TRP HH2 H 6.628 0.020 1 585 222 68 TRP CA C 60.080 0.100 1 586 222 68 TRP CB C 31.194 0.100 1 587 222 68 TRP CD1 C 122.234 0.100 1 588 222 68 TRP CE3 C 119.952 0.100 1 589 222 68 TRP CZ2 C 113.326 0.100 1 590 222 68 TRP CZ3 C 119.245 0.100 1 591 222 68 TRP CH2 C 123.189 0.100 1 592 222 68 TRP N N 124.200 0.100 1 593 222 68 TRP NE1 N 126.506 0.100 1 594 223 69 CYS H H 8.822 0.020 1 595 223 69 CYS HA H 5.091 0.020 1 596 223 69 CYS HB2 H 3.133 0.020 1 597 223 69 CYS HB3 H 3.410 0.020 1 598 223 69 CYS CA C 59.102 0.100 1 599 223 69 CYS CB C 32.338 0.100 1 600 223 69 CYS N N 116.297 0.100 1 601 224 70 ALA H H 8.787 0.020 1 602 224 70 ALA HA H 4.406 0.020 1 603 224 70 ALA HB H 1.567 0.020 1 604 224 70 ALA CA C 52.851 0.100 1 605 224 70 ALA CB C 17.720 0.100 1 606 224 70 ALA N N 123.112 0.100 1 607 225 71 GLU H H 8.541 0.020 1 608 225 71 GLU HA H 5.308 0.020 1 609 225 71 GLU HB2 H 2.142 0.020 1 610 225 71 GLU HB3 H 2.564 0.020 1 611 225 71 GLU CA C 53.299 0.100 1 612 225 71 GLU N N 118.300 0.100 1 613 226 72 GLY H H 9.837 0.020 1 614 226 72 GLY HA2 H 4.081 0.020 2 615 226 72 GLY HA3 H 4.246 0.020 2 616 226 72 GLY CA C 44.403 0.100 1 617 226 72 GLY N N 111.995 0.100 1 618 227 73 GLY H H 7.772 0.020 1 619 227 73 GLY HA2 H 3.837 0.020 2 620 227 73 GLY HA3 H 4.507 0.020 2 621 227 73 GLY CA C 44.971 0.100 1 622 227 73 GLY N N 106.600 0.100 1 623 228 74 ASN H H 8.876 0.020 1 624 228 74 ASN HA H 5.081 0.020 1 625 228 74 ASN HB2 H 2.968 0.020 2 626 228 74 ASN HB3 H 3.016 0.020 2 627 228 74 ASN CA C 53.100 0.100 1 628 228 74 ASN CB C 38.084 0.100 1 629 228 74 ASN N N 124.277 0.100 1 630 229 75 LEU H H 8.901 0.020 1 631 229 75 LEU HA H 4.600 0.020 1 632 229 75 LEU HB2 H 1.190 0.020 2 633 229 75 LEU HB3 H 1.807 0.020 2 634 229 75 LEU HD1 H 0.509 0.020 2 635 229 75 LEU HD2 H 0.484 0.020 2 636 229 75 LEU CA C 54.362 0.100 1 637 229 75 LEU CB C 43.500 0.100 1 638 229 75 LEU CD1 C 22.339 0.100 2 639 229 75 LEU CD2 C 25.352 0.100 2 640 229 75 LEU N N 123.050 0.100 1 641 230 76 ILE H H 9.406 0.020 1 642 230 76 ILE HA H 4.485 0.020 1 643 230 76 ILE HB H 1.972 0.020 1 644 230 76 ILE HG12 H 1.095 0.020 2 645 230 76 ILE HG13 H 1.324 0.020 2 646 230 76 ILE HG2 H 0.464 0.020 1 647 230 76 ILE HD1 H 0.651 0.020 1 648 230 76 ILE CA C 60.700 0.100 1 649 230 76 ILE CB C 37.399 0.100 1 650 230 76 ILE CG2 C 18.901 0.100 1 651 230 76 ILE CD1 C 13.302 0.100 1 652 230 76 ILE N N 123.552 0.100 1 653 231 77 CYS H H 8.809 0.020 1 654 231 77 CYS HA H 4.875 0.020 1 655 231 77 CYS HB2 H 2.886 0.020 2 656 231 77 CYS HB3 H 3.242 0.020 2 657 231 77 CYS CA C 58.359 0.100 1 658 231 77 CYS CB C 29.434 0.100 1 659 231 77 CYS N N 124.637 0.100 1 660 232 78 CYS H H 8.579 0.020 1 661 232 78 CYS HA H 4.284 0.020 1 662 232 78 CYS HB2 H 2.610 0.020 1 663 232 78 CYS HB3 H 3.194 0.020 1 664 232 78 CYS CA C 61.884 0.100 1 665 232 78 CYS CB C 31.170 0.100 1 666 232 78 CYS N N 125.697 0.100 1 667 233 79 ASP H H 8.577 0.020 1 668 233 79 ASP HA H 4.757 0.020 1 669 233 79 ASP HB2 H 1.979 0.020 2 670 233 79 ASP HB3 H 2.446 0.020 2 671 233 79 ASP CA C 56.989 0.100 1 672 233 79 ASP CB C 41.629 0.100 1 673 233 79 ASP N N 123.600 0.100 1 674 234 80 PHE H H 10.432 0.020 1 675 234 80 PHE HA H 4.526 0.020 1 676 234 80 PHE HB2 H 2.995 0.020 2 677 234 80 PHE HB3 H 3.187 0.020 2 678 234 80 PHE HD1 H 6.914 0.020 1 679 234 80 PHE HD2 H 6.914 0.020 1 680 234 80 PHE HE1 H 6.641 0.020 1 681 234 80 PHE HE2 H 6.641 0.020 1 682 234 80 PHE HZ H 6.733 0.020 1 683 234 80 PHE CA C 59.909 0.100 1 684 234 80 PHE CB C 41.849 0.100 1 685 234 80 PHE CD1 C 131.746 0.100 1 686 234 80 PHE CD2 C 131.746 0.100 1 687 234 80 PHE CE1 C 132.728 0.100 1 688 234 80 PHE CE2 C 132.728 0.100 1 689 234 80 PHE CZ C 128.518 0.100 1 690 234 80 PHE N N 122.100 0.100 1 691 235 81 CYS H H 8.476 0.020 1 692 235 81 CYS HA H 5.156 0.020 1 693 235 81 CYS HB2 H 2.704 0.020 1 694 235 81 CYS HB3 H 3.164 0.020 1 695 235 81 CYS CA C 58.045 0.100 1 696 235 81 CYS CB C 31.407 0.100 1 697 235 81 CYS N N 124.300 0.100 1 698 236 82 HIS H H 6.699 0.020 1 699 236 82 HIS HA H 4.983 0.020 1 700 236 82 HIS HB2 H 3.077 0.020 2 701 236 82 HIS HB3 H 3.698 0.020 2 702 236 82 HIS HD2 H 7.354 0.020 1 703 236 82 HIS HE1 H 7.644 0.020 1 704 236 82 HIS CA C 55.398 0.100 1 705 236 82 HIS CB C 30.257 0.100 1 706 236 82 HIS CD2 C 124.015 0.100 1 707 236 82 HIS CE1 C 138.814 0.100 1 708 236 82 HIS N N 112.598 0.100 1 709 237 83 ASN H H 9.097 0.020 1 710 237 83 ASN HA H 4.801 0.020 1 711 237 83 ASN HB2 H 3.435 0.020 1 712 237 83 ASN HB3 H 3.435 0.020 1 713 237 83 ASN HD21 H 6.139 0.020 2 714 237 83 ASN HD22 H 8.762 0.020 2 715 237 83 ASN CA C 55.616 0.100 1 716 237 83 ASN N N 123.600 0.100 1 717 237 83 ASN ND2 N 119.113 0.100 1 718 238 84 ALA H H 9.885 0.020 1 719 238 84 ALA HA H 5.409 0.020 1 720 238 84 ALA HB H 1.320 0.020 1 721 238 84 ALA CA C 50.364 0.100 1 722 238 84 ALA CB C 25.070 0.100 1 723 238 84 ALA N N 122.000 0.100 1 724 239 85 PHE H H 9.450 0.020 1 725 239 85 PHE HA H 6.028 0.020 1 726 239 85 PHE HB2 H 3.314 0.020 1 727 239 85 PHE HB3 H 3.460 0.020 1 728 239 85 PHE HD1 H 7.865 0.020 1 729 239 85 PHE HD2 H 7.865 0.020 1 730 239 85 PHE HE1 H 7.532 0.020 1 731 239 85 PHE HE2 H 7.532 0.020 1 732 239 85 PHE HZ H 7.226 0.020 1 733 239 85 PHE CA C 56.217 0.100 1 734 239 85 PHE CB C 44.664 0.100 1 735 239 85 PHE CD1 C 132.944 0.100 1 736 239 85 PHE CD2 C 132.944 0.100 1 737 239 85 PHE CE1 C 131.168 0.100 1 738 239 85 PHE CE2 C 131.168 0.100 1 739 239 85 PHE CZ C 129.260 0.100 1 740 239 85 PHE N N 116.707 0.100 1 741 240 86 CYS H H 11.309 0.020 1 742 240 86 CYS HA H 5.622 0.020 1 743 240 86 CYS HB2 H 2.906 0.020 1 744 240 86 CYS HB3 H 3.603 0.020 1 745 240 86 CYS CA C 57.342 0.100 1 746 240 86 CYS CB C 32.257 0.100 1 747 240 86 CYS N N 126.682 0.100 1 748 241 87 LYS H H 8.230 0.020 1 749 241 87 LYS HA H 3.849 0.020 1 750 241 87 LYS HB2 H 1.914 0.020 2 751 241 87 LYS HB3 H 2.040 0.020 2 752 241 87 LYS CA C 60.070 0.100 1 753 241 87 LYS CB C 32.798 0.100 1 754 241 87 LYS N N 117.865 0.100 1 755 242 88 LYS H H 7.945 0.020 1 756 242 88 LYS HA H 3.978 0.020 1 757 242 88 LYS HB2 H 1.933 0.020 2 758 242 88 LYS HB3 H 2.374 0.020 2 759 242 88 LYS HE2 H 3.122 0.020 1 760 242 88 LYS HE3 H 3.122 0.020 1 761 242 88 LYS CA C 60.370 0.100 1 762 242 88 LYS CB C 32.316 0.100 1 763 242 88 LYS CE C 41.641 0.100 1 764 242 88 LYS N N 117.949 0.100 1 765 243 89 CYS H H 9.297 0.020 1 766 243 89 CYS HA H 3.742 0.020 1 767 243 89 CYS HB2 H 2.406 0.020 1 768 243 89 CYS HB3 H 3.192 0.020 1 769 243 89 CYS CA C 64.827 0.100 1 770 243 89 CYS CB C 28.241 0.100 1 771 243 89 CYS N N 125.305 0.100 1 772 244 90 ILE H H 7.997 0.020 1 773 244 90 ILE HA H 3.607 0.020 1 774 244 90 ILE HB H 1.797 0.020 1 775 244 90 ILE HG12 H 1.589 0.020 2 776 244 90 ILE HG13 H 2.130 0.020 2 777 244 90 ILE HG2 H 0.959 0.020 1 778 244 90 ILE HD1 H 0.916 0.020 1 779 244 90 ILE CA C 65.950 0.100 1 780 244 90 ILE CG1 C 28.197 0.100 1 781 244 90 ILE CG2 C 17.380 0.100 1 782 244 90 ILE CD1 C 13.869 0.100 1 783 244 90 ILE N N 119.687 0.100 1 784 245 91 LEU H H 8.810 0.020 1 785 245 91 LEU HA H 3.685 0.020 1 786 245 91 LEU HB2 H 1.518 0.020 2 787 245 91 LEU HB3 H 1.844 0.020 2 788 245 91 LEU HD1 H 0.841 0.020 2 789 245 91 LEU HD2 H 0.854 0.020 2 790 245 91 LEU CA C 58.235 0.100 1 791 245 91 LEU CB C 41.958 0.100 1 792 245 91 LEU CD1 C 23.537 0.100 2 793 245 91 LEU CD2 C 24.340 0.100 2 794 245 91 LEU N N 120.280 0.100 1 795 246 92 ARG H H 8.086 0.020 1 796 246 92 ARG HA H 3.817 0.020 1 797 246 92 ARG HB2 H 1.412 0.020 2 798 246 92 ARG HB3 H 1.909 0.020 2 799 246 92 ARG CA C 58.980 0.100 1 800 246 92 ARG CB C 30.600 0.100 1 801 246 92 ARG N N 116.901 0.100 1 802 247 93 ASN H H 7.136 0.020 1 803 247 93 ASN HA H 4.603 0.020 1 804 247 93 ASN HB2 H 2.173 0.020 2 805 247 93 ASN HB3 H 2.500 0.020 2 806 247 93 ASN HD21 H 5.891 0.020 2 807 247 93 ASN HD22 H 7.652 0.020 2 808 247 93 ASN CA C 55.808 0.100 1 809 247 93 ASN CB C 42.484 0.100 1 810 247 93 ASN N N 111.200 0.100 1 811 247 93 ASN ND2 N 115.200 0.100 1 812 248 94 LEU H H 8.515 0.020 1 813 248 94 LEU HA H 4.814 0.020 1 814 248 94 LEU HB2 H 1.649 0.020 2 815 248 94 LEU HB3 H 1.954 0.020 2 816 248 94 LEU HD1 H 0.947 0.020 2 817 248 94 LEU HD2 H 0.942 0.020 2 818 248 94 LEU CA C 55.189 0.100 1 819 248 94 LEU CB C 43.698 0.100 1 820 248 94 LEU CD1 C 24.081 0.100 2 821 248 94 LEU CD2 C 25.558 0.100 2 822 248 94 LEU N N 118.807 0.100 1 823 249 95 GLY H H 7.955 0.020 1 824 249 95 GLY HA2 H 4.182 0.020 2 825 249 95 GLY HA3 H 4.623 0.020 2 826 249 95 GLY CA C 44.628 0.100 1 827 249 95 GLY N N 108.000 0.100 1 828 250 96 ARG H H 8.559 0.020 1 829 250 96 ARG HA H 3.843 0.020 1 830 250 96 ARG HB2 H 1.875 0.020 1 831 250 96 ARG HB3 H 1.875 0.020 1 832 250 96 ARG HG2 H 1.738 0.020 1 833 250 96 ARG HG3 H 1.738 0.020 1 834 250 96 ARG HD2 H 3.247 0.020 1 835 250 96 ARG HD3 H 3.247 0.020 1 836 250 96 ARG CA C 58.682 0.100 1 837 250 96 ARG CB C 29.860 0.100 1 838 250 96 ARG CD C 43.032 0.100 1 839 250 96 ARG N N 117.797 0.100 1 840 251 97 LYS H H 8.655 0.020 1 841 251 97 LYS HA H 4.156 0.020 1 842 251 97 LYS HB2 H 1.939 0.020 1 843 251 97 LYS HB3 H 1.939 0.020 1 844 251 97 LYS HG2 H 1.520 0.020 1 845 251 97 LYS HG3 H 1.520 0.020 1 846 251 97 LYS HD2 H 1.757 0.020 1 847 251 97 LYS HD3 H 1.757 0.020 1 848 251 97 LYS CA C 59.156 0.100 1 849 251 97 LYS CB C 31.360 0.100 1 850 251 97 LYS N N 120.900 0.100 1 851 252 98 GLU H H 7.705 0.020 1 852 252 98 GLU HA H 4.351 0.020 1 853 252 98 GLU HB2 H 1.754 0.020 1 854 252 98 GLU HB3 H 1.754 0.020 1 855 252 98 GLU CA C 58.582 0.100 1 856 252 98 GLU CB C 28.400 0.100 1 857 252 98 GLU N N 122.000 0.100 1 858 253 99 LEU H H 7.285 0.020 1 859 253 99 LEU HA H 3.917 0.020 1 860 253 99 LEU HB2 H 1.314 0.020 1 861 253 99 LEU HB3 H 1.933 0.020 1 862 253 99 LEU HG H 1.657 0.020 1 863 253 99 LEU HD1 H 0.900 0.020 2 864 253 99 LEU HD2 H 0.953 0.020 2 865 253 99 LEU CA C 57.998 0.100 1 866 253 99 LEU CB C 41.482 0.100 1 867 253 99 LEU CD1 C 24.012 0.100 2 868 253 99 LEU CD2 C 26.038 0.100 2 869 253 99 LEU N N 117.400 0.100 1 870 254 100 SER H H 8.326 0.020 1 871 254 100 SER HA H 4.107 0.020 1 872 254 100 SER HB2 H 3.998 0.020 1 873 254 100 SER HB3 H 3.998 0.020 1 874 254 100 SER CA C 61.603 0.100 1 875 254 100 SER CB C 62.622 0.100 1 876 254 100 SER N N 112.100 0.100 1 877 255 101 THR H H 7.972 0.020 1 878 255 101 THR HA H 4.026 0.020 1 879 255 101 THR HB H 4.443 0.020 1 880 255 101 THR HG2 H 1.321 0.020 1 881 255 101 THR CA C 66.261 0.100 1 882 255 101 THR CB C 68.735 0.100 1 883 255 101 THR CG2 C 21.319 0.100 1 884 255 101 THR N N 118.151 0.100 1 885 256 102 ILE H H 7.868 0.020 1 886 256 102 ILE HA H 3.463 0.020 1 887 256 102 ILE HB H 1.067 0.020 1 888 256 102 ILE HG2 H 0.113 0.020 1 889 256 102 ILE HD1 H 0.346 0.020 1 890 256 102 ILE CA C 64.774 0.100 1 891 256 102 ILE CB C 37.741 0.100 1 892 256 102 ILE CG2 C 17.001 0.100 1 893 256 102 ILE CD1 C 14.950 0.100 1 894 256 102 ILE N N 120.100 0.100 1 895 257 103 MET H H 7.606 0.020 1 896 257 103 MET HA H 4.211 0.020 1 897 257 103 MET HB2 H 1.990 0.020 2 898 257 103 MET HB3 H 2.201 0.020 2 899 257 103 MET HG2 H 2.366 0.020 2 900 257 103 MET HG3 H 2.679 0.020 2 901 257 103 MET HE H 2.046 0.020 1 902 257 103 MET CA C 55.691 0.100 1 903 257 103 MET CB C 32.000 0.100 1 904 257 103 MET CG C 32.000 0.100 1 905 257 103 MET CE C 15.707 0.100 1 906 257 103 MET N N 114.876 0.100 1 907 258 104 ASP H H 7.444 0.020 1 908 258 104 ASP HA H 4.538 0.020 1 909 258 104 ASP HB2 H 2.793 0.020 2 910 258 104 ASP HB3 H 2.919 0.020 2 911 258 104 ASP CA C 54.912 0.100 1 912 258 104 ASP CB C 41.500 0.100 1 913 258 104 ASP N N 119.976 0.100 1 914 259 105 GLU H H 8.559 0.020 1 915 259 105 GLU HA H 4.287 0.020 1 916 259 105 GLU HB2 H 2.102 0.020 2 917 259 105 GLU HB3 H 2.202 0.020 2 918 259 105 GLU HG2 H 2.374 0.020 1 919 259 105 GLU HG3 H 2.374 0.020 1 920 259 105 GLU CA C 57.571 0.100 1 921 259 105 GLU CB C 29.542 0.100 1 922 259 105 GLU N N 124.388 0.100 1 923 260 106 ASN H H 8.673 0.020 1 924 260 106 ASN HA H 4.742 0.020 1 925 260 106 ASN HB2 H 2.814 0.020 2 926 260 106 ASN HB3 H 2.918 0.020 2 927 260 106 ASN HD21 H 7.035 0.020 2 928 260 106 ASN HD22 H 7.911 0.020 2 929 260 106 ASN CA C 53.743 0.100 1 930 260 106 ASN CB C 38.918 0.100 1 931 260 106 ASN N N 117.201 0.100 1 932 260 106 ASN ND2 N 114.700 0.100 1 933 261 107 ASN H H 7.956 0.020 1 934 261 107 ASN HA H 4.985 0.020 1 935 261 107 ASN HB2 H 2.808 0.020 2 936 261 107 ASN HB3 H 2.958 0.020 2 937 261 107 ASN HD21 H 7.054 0.020 2 938 261 107 ASN HD22 H 7.775 0.020 2 939 261 107 ASN CA C 52.302 0.100 1 940 261 107 ASN CB C 40.614 0.100 1 941 261 107 ASN N N 117.900 0.100 1 942 261 107 ASN ND2 N 113.600 0.100 1 943 262 108 GLN H H 8.493 0.020 1 944 262 108 GLN HA H 4.608 0.020 1 945 262 108 GLN HB2 H 1.959 0.020 2 946 262 108 GLN HB3 H 2.113 0.020 2 947 262 108 GLN HG2 H 2.266 0.020 2 948 262 108 GLN HG3 H 2.416 0.020 2 949 262 108 GLN HE21 H 6.792 0.020 2 950 262 108 GLN HE22 H 7.528 0.020 2 951 262 108 GLN CA C 55.776 0.100 1 952 262 108 GLN CB C 30.558 0.100 1 953 262 108 GLN N N 121.500 0.100 1 954 262 108 GLN NE2 N 112.296 0.100 1 955 263 109 TRP H H 10.497 0.020 1 956 263 109 TRP HA H 4.971 0.020 1 957 263 109 TRP HB2 H 3.088 0.020 1 958 263 109 TRP HB3 H 3.305 0.020 1 959 263 109 TRP HD1 H 7.388 0.020 1 960 263 109 TRP HE1 H 10.379 0.020 1 961 263 109 TRP HE3 H 7.446 0.020 1 962 263 109 TRP HZ2 H 6.407 0.020 1 963 263 109 TRP HZ3 H 6.951 0.020 1 964 263 109 TRP HH2 H 6.712 0.020 1 965 263 109 TRP CA C 58.097 0.100 1 966 263 109 TRP CB C 30.493 0.100 1 967 263 109 TRP CD1 C 126.649 0.100 1 968 263 109 TRP CE3 C 120.803 0.100 1 969 263 109 TRP CZ2 C 113.786 0.100 1 970 263 109 TRP CZ3 C 120.349 0.100 1 971 263 109 TRP CH2 C 121.892 0.100 1 972 263 109 TRP N N 128.056 0.100 1 973 263 109 TRP NE1 N 133.231 0.100 1 974 264 110 TYR H H 7.545 0.020 1 975 264 110 TYR HA H 4.402 0.020 1 976 264 110 TYR HB2 H 2.028 0.020 1 977 264 110 TYR HB3 H 2.388 0.020 1 978 264 110 TYR HD1 H 6.654 0.020 1 979 264 110 TYR HD2 H 6.654 0.020 1 980 264 110 TYR HE1 H 6.142 0.020 1 981 264 110 TYR HE2 H 6.142 0.020 1 982 264 110 TYR CA C 56.671 0.100 1 983 264 110 TYR CB C 39.008 0.100 1 984 264 110 TYR CD1 C 132.434 0.100 1 985 264 110 TYR CD2 C 132.434 0.100 1 986 264 110 TYR CE1 C 117.249 0.100 1 987 264 110 TYR CE2 C 117.249 0.100 1 988 264 110 TYR N N 126.600 0.100 1 989 265 111 CYS H H 8.586 0.020 1 990 265 111 CYS HB2 H 3.067 0.020 2 991 265 111 CYS HB3 H 3.195 0.020 2 992 265 111 CYS N N 124.622 0.100 1 993 266 112 TYR HA H 4.192 0.020 1 994 266 112 TYR HB2 H 1.844 0.020 2 995 266 112 TYR HB3 H 3.047 0.020 2 996 266 112 TYR HD1 H 6.893 0.020 1 997 266 112 TYR HD2 H 6.893 0.020 1 998 266 112 TYR HE1 H 6.754 0.020 1 999 266 112 TYR HE2 H 6.754 0.020 1 1000 266 112 TYR HH H 11.037 0.020 1 1001 266 112 TYR CA C 57.715 0.100 1 1002 266 112 TYR CB C 37.920 0.100 1 1003 266 112 TYR CD1 C 132.810 0.100 1 1004 266 112 TYR CD2 C 132.810 0.100 1 1005 266 112 TYR CE1 C 117.960 0.100 1 1006 266 112 TYR CE2 C 117.960 0.100 1 1007 267 113 ILE H H 9.160 0.020 1 1008 267 113 ILE HA H 3.950 0.020 1 1009 267 113 ILE HB H 2.222 0.020 1 1010 267 113 ILE HG12 H 1.367 0.020 2 1011 267 113 ILE HG13 H 1.643 0.020 2 1012 267 113 ILE HG2 H 0.893 0.020 1 1013 267 113 ILE HD1 H 0.752 0.020 1 1014 267 113 ILE CA C 61.249 0.100 1 1015 267 113 ILE CB C 35.533 0.100 1 1016 267 113 ILE CG2 C 16.873 0.100 1 1017 267 113 ILE CD1 C 9.800 0.100 1 1018 267 113 ILE N N 119.504 0.100 1 1019 268 114 CYS H H 7.818 0.020 1 1020 268 114 CYS HA H 3.814 0.020 1 1021 268 114 CYS HB2 H 2.798 0.020 1 1022 268 114 CYS HB3 H 3.056 0.020 1 1023 268 114 CYS CA C 65.300 0.100 1 1024 268 114 CYS CB C 29.721 0.100 1 1025 268 114 CYS N N 124.100 0.100 1 1026 269 115 HIS H H 8.953 0.020 1 1027 269 115 HIS HA H 5.129 0.020 1 1028 269 115 HIS HB2 H 2.560 0.020 2 1029 269 115 HIS HB3 H 3.077 0.020 2 1030 269 115 HIS HD2 H 6.973 0.020 1 1031 269 115 HIS HE1 H 7.704 0.020 1 1032 269 115 HIS CA C 52.161 0.100 1 1033 269 115 HIS CB C 31.192 0.100 1 1034 269 115 HIS CD2 C 118.387 0.100 1 1035 269 115 HIS CE1 C 136.881 0.100 1 1036 269 115 HIS N N 117.127 0.100 1 1037 270 116 PRO HA H 4.942 0.020 1 1038 270 116 PRO HB2 H 1.961 0.020 2 1039 270 116 PRO HB3 H 2.490 0.020 2 1040 270 116 PRO HG2 H 1.803 0.020 2 1041 270 116 PRO HG3 H 1.975 0.020 2 1042 270 116 PRO HD2 H 3.351 0.020 2 1043 270 116 PRO HD3 H 3.679 0.020 2 1044 270 116 PRO CA C 63.308 0.100 1 1045 270 116 PRO CB C 32.642 0.100 1 1046 270 116 PRO CD C 50.606 0.100 1 1047 271 117 GLU H H 8.402 0.020 1 1048 271 117 GLU HA H 4.020 0.020 1 1049 271 117 GLU HB2 H 1.887 0.020 2 1050 271 117 GLU HB3 H 2.009 0.020 2 1051 271 117 GLU HG2 H 2.326 0.020 2 1052 271 117 GLU HG3 H 2.431 0.020 2 1053 271 117 GLU CA C 61.869 0.100 1 1054 271 117 GLU CB C 27.051 0.100 1 1055 271 117 GLU N N 123.504 0.100 1 1056 272 118 PRO HA H 4.542 0.020 1 1057 272 118 PRO HB2 H 1.692 0.020 2 1058 272 118 PRO HB3 H 2.759 0.020 2 1059 272 118 PRO HG2 H 2.264 0.020 2 1060 272 118 PRO HG3 H 2.438 0.020 2 1061 272 118 PRO HD2 H 3.754 0.020 2 1062 272 118 PRO HD3 H 3.499 0.020 2 1063 272 118 PRO CA C 65.359 0.100 1 1064 272 118 PRO CB C 32.142 0.100 1 1065 272 118 PRO CD C 51.390 0.100 1 1066 273 119 LEU H H 8.090 0.020 1 1067 273 119 LEU HA H 4.474 0.020 1 1068 273 119 LEU HB2 H 1.644 0.020 1 1069 273 119 LEU HB3 H 1.861 0.020 1 1070 273 119 LEU HG H 1.381 0.020 1 1071 273 119 LEU HD1 H 0.361 0.020 2 1072 273 119 LEU HD2 H 0.438 0.020 2 1073 273 119 LEU CB C 41.542 0.100 1 1074 273 119 LEU CG C 27.800 0.100 1 1075 273 119 LEU CD1 C 23.594 0.100 2 1076 273 119 LEU CD2 C 26.366 0.100 2 1077 273 119 LEU N N 112.296 0.100 1 1078 274 120 LEU H H 7.823 0.020 1 1079 274 120 LEU HA H 4.027 0.020 1 1080 274 120 LEU HB2 H 1.739 0.020 2 1081 274 120 LEU HB3 H 1.831 0.020 2 1082 274 120 LEU HD1 H 0.973 0.020 2 1083 274 120 LEU HD2 H 0.941 0.020 2 1084 274 120 LEU CA C 59.301 0.100 1 1085 274 120 LEU CB C 42.100 0.100 1 1086 274 120 LEU CD1 C 23.802 0.100 2 1087 274 120 LEU CD2 C 24.005 0.100 2 1088 274 120 LEU N N 121.388 0.100 1 1089 275 121 ASP H H 8.694 0.020 1 1090 275 121 ASP HA H 4.541 0.020 1 1091 275 121 ASP HB2 H 2.723 0.020 2 1092 275 121 ASP HB3 H 2.856 0.020 2 1093 275 121 ASP CA C 57.703 0.100 1 1094 275 121 ASP CB C 39.443 0.100 1 1095 275 121 ASP N N 118.600 0.100 1 1096 276 122 LEU H H 8.013 0.020 1 1097 276 122 LEU HA H 4.392 0.020 1 1098 276 122 LEU HB2 H 1.789 0.020 2 1099 276 122 LEU HB3 H 2.168 0.020 2 1100 276 122 LEU HG H 2.003 0.020 1 1101 276 122 LEU HD1 H 1.184 0.020 2 1102 276 122 LEU HD2 H 1.263 0.020 2 1103 276 122 LEU CA C 57.971 0.100 1 1104 276 122 LEU CB C 42.542 0.100 1 1105 276 122 LEU CD1 C 23.500 0.100 2 1106 276 122 LEU CD2 C 26.899 0.100 2 1107 276 122 LEU N N 123.192 0.100 1 1108 277 123 VAL H H 8.781 0.020 1 1109 277 123 VAL HA H 3.855 0.020 1 1110 277 123 VAL HB H 2.248 0.020 1 1111 277 123 VAL HG1 H 1.014 0.020 2 1112 277 123 VAL HG2 H 1.000 0.020 2 1113 277 123 VAL CA C 66.663 0.100 1 1114 277 123 VAL CB C 32.058 0.100 1 1115 277 123 VAL CG1 C 20.703 0.100 2 1116 277 123 VAL CG2 C 22.571 0.100 2 1117 277 123 VAL N N 126.898 0.100 1 1118 278 124 THR H H 8.722 0.020 1 1119 278 124 THR HA H 4.030 0.020 1 1120 278 124 THR HB H 4.420 0.020 1 1121 278 124 THR HG2 H 1.353 0.020 1 1122 278 124 THR CA C 66.589 0.100 1 1123 278 124 THR CB C 68.410 0.100 1 1124 278 124 THR CG2 C 21.400 0.100 1 1125 278 124 THR N N 117.500 0.100 1 1126 279 125 ALA H H 8.239 0.020 1 1127 279 125 ALA HA H 4.261 0.020 1 1128 279 125 ALA HB H 1.665 0.020 1 1129 279 125 ALA CA C 55.296 0.100 1 1130 279 125 ALA CB C 17.949 0.100 1 1131 279 125 ALA N N 124.700 0.100 1 1132 280 126 CYS H H 8.128 0.020 1 1133 280 126 CYS HA H 4.114 0.020 1 1134 280 126 CYS HB2 H 3.411 0.020 1 1135 280 126 CYS HB3 H 3.701 0.020 1 1136 280 126 CYS CA C 62.103 0.100 1 1137 280 126 CYS CB C 26.496 0.100 1 1138 280 126 CYS N N 119.276 0.100 1 1139 281 127 ASN H H 8.725 0.020 1 1140 281 127 ASN HA H 4.560 0.020 1 1141 281 127 ASN HB2 H 3.005 0.020 1 1142 281 127 ASN HB3 H 3.254 0.020 1 1143 281 127 ASN HD21 H 6.992 0.020 2 1144 281 127 ASN HD22 H 7.891 0.020 2 1145 281 127 ASN CA C 56.139 0.100 1 1146 281 127 ASN CB C 36.965 0.100 1 1147 281 127 ASN N N 118.000 0.100 1 1148 281 127 ASN ND2 N 111.995 0.100 1 1149 282 128 SER H H 8.542 0.020 1 1150 282 128 SER HA H 4.363 0.020 1 1151 282 128 SER HB2 H 4.083 0.020 2 1152 282 128 SER HB3 H 4.142 0.020 2 1153 282 128 SER CA C 61.899 0.100 1 1154 282 128 SER CB C 62.630 0.100 1 1155 282 128 SER N N 116.601 0.100 1 1156 283 129 VAL H H 7.990 0.020 1 1157 283 129 VAL HA H 3.677 0.020 1 1158 283 129 VAL HB H 2.260 0.020 1 1159 283 129 VAL HG1 H 1.017 0.020 2 1160 283 129 VAL HG2 H 0.637 0.020 2 1161 283 129 VAL CA C 66.508 0.100 1 1162 283 129 VAL CB C 31.218 0.100 1 1163 283 129 VAL CG1 C 22.891 0.100 2 1164 283 129 VAL CG2 C 21.750 0.100 2 1165 283 129 VAL N N 123.272 0.100 1 1166 284 130 PHE H H 8.190 0.020 1 1167 284 130 PHE HA H 4.013 0.020 1 1168 284 130 PHE HB2 H 3.086 0.020 2 1169 284 130 PHE HB3 H 3.195 0.020 2 1170 284 130 PHE HD1 H 7.496 0.020 1 1171 284 130 PHE HD2 H 7.496 0.020 1 1172 284 130 PHE HE1 H 7.082 0.020 1 1173 284 130 PHE HE2 H 7.082 0.020 1 1174 284 130 PHE HZ H 6.667 0.020 1 1175 284 130 PHE CA C 63.500 0.100 1 1176 284 130 PHE CB C 38.996 0.100 1 1177 284 130 PHE CD1 C 131.495 0.100 1 1178 284 130 PHE CD2 C 131.495 0.100 1 1179 284 130 PHE CE1 C 131.041 0.100 1 1180 284 130 PHE CE2 C 131.041 0.100 1 1181 284 130 PHE CZ C 128.716 0.100 1 1182 284 130 PHE N N 118.594 0.100 1 1183 285 131 GLU H H 8.699 0.020 1 1184 285 131 GLU HA H 4.205 0.020 1 1185 285 131 GLU HB2 H 2.162 0.020 2 1186 285 131 GLU HB3 H 2.232 0.020 2 1187 285 131 GLU HG2 H 2.358 0.020 2 1188 285 131 GLU HG3 H 2.479 0.020 2 1189 285 131 GLU CA C 59.214 0.100 1 1190 285 131 GLU CB C 29.500 0.100 1 1191 285 131 GLU N N 120.905 0.100 1 1192 286 132 ASN H H 8.082 0.020 1 1193 286 132 ASN HA H 4.595 0.020 1 1194 286 132 ASN HB2 H 2.866 0.020 2 1195 286 132 ASN HB3 H 2.936 0.020 2 1196 286 132 ASN HD21 H 6.967 0.020 2 1197 286 132 ASN HD22 H 7.912 0.020 2 1198 286 132 ASN CA C 55.615 0.100 1 1199 286 132 ASN CB C 38.852 0.100 1 1200 286 132 ASN N N 117.997 0.100 1 1201 286 132 ASN ND2 N 113.017 0.100 1 1202 287 133 LEU H H 7.904 0.020 1 1203 287 133 LEU HA H 4.117 0.020 1 1204 287 133 LEU HB2 H 1.674 0.020 1 1205 287 133 LEU HB3 H 1.801 0.020 1 1206 287 133 LEU HD1 H 0.720 0.020 2 1207 287 133 LEU HD2 H 0.743 0.020 2 1208 287 133 LEU CA C 57.798 0.100 1 1209 287 133 LEU CD1 C 24.006 0.100 2 1210 287 133 LEU CD2 C 24.619 0.100 2 1211 287 133 LEU N N 120.800 0.100 1 1212 288 134 GLU H H 8.157 0.020 1 1213 288 134 GLU HA H 4.079 0.020 1 1214 288 134 GLU HB2 H 2.202 0.020 1 1215 288 134 GLU HB3 H 2.202 0.020 1 1216 288 134 GLU HG2 H 2.382 0.020 2 1217 288 134 GLU HG3 H 2.487 0.020 2 1218 288 134 GLU CA C 58.997 0.100 1 1219 288 134 GLU CB C 29.242 0.100 1 1220 288 134 GLU N N 118.200 0.100 1 1221 289 135 GLN H H 7.869 0.020 1 1222 289 135 GLN HA H 4.174 0.020 1 1223 289 135 GLN HB2 H 2.236 0.020 2 1224 289 135 GLN HB3 H 2.204 0.020 2 1225 289 135 GLN HG2 H 2.488 0.020 2 1226 289 135 GLN HG3 H 2.584 0.020 2 1227 289 135 GLN HE21 H 6.918 0.020 2 1228 289 135 GLN HE22 H 7.620 0.020 2 1229 289 135 GLN CA C 57.989 0.100 1 1230 289 135 GLN CB C 28.080 0.100 1 1231 289 135 GLN N N 117.400 0.100 1 1232 289 135 GLN NE2 N 112.088 0.100 1 1233 290 136 LEU H H 7.968 0.020 1 1234 290 136 LEU HA H 4.173 0.020 1 1235 290 136 LEU HB2 H 1.678 0.020 1 1236 290 136 LEU HB3 H 1.867 0.020 1 1237 290 136 LEU HD1 H 0.868 0.020 2 1238 290 136 LEU HD2 H 0.877 0.020 2 1239 290 136 LEU CA C 57.138 0.100 1 1240 290 136 LEU CB C 42.000 0.100 1 1241 290 136 LEU CD1 C 23.453 0.100 2 1242 290 136 LEU CD2 C 24.894 0.100 2 1243 290 136 LEU N N 121.000 0.100 1 1244 291 137 LEU H H 8.154 0.020 1 1245 291 137 LEU HA H 4.241 0.020 1 1246 291 137 LEU HB2 H 1.624 0.020 2 1247 291 137 LEU HB3 H 1.878 0.020 2 1248 291 137 LEU HD1 H 0.908 0.020 2 1249 291 137 LEU HD2 H 0.941 0.020 2 1250 291 137 LEU CA C 56.360 0.100 1 1251 291 137 LEU CB C 41.472 0.100 1 1252 291 137 LEU CD1 C 22.624 0.100 2 1253 291 137 LEU CD2 C 25.544 0.100 2 1254 291 137 LEU N N 118.900 0.100 1 1255 292 138 GLN H H 7.896 0.020 1 1256 292 138 GLN HA H 4.272 0.020 1 1257 292 138 GLN HB2 H 2.156 0.020 2 1258 292 138 GLN HB3 H 2.241 0.020 2 1259 292 138 GLN HG2 H 2.522 0.020 1 1260 292 138 GLN HG3 H 2.522 0.020 1 1261 292 138 GLN CA C 56.632 0.100 1 1262 292 138 GLN CB C 28.584 0.100 1 1263 292 138 GLN N N 117.993 0.100 1 1264 293 139 GLN H H 8.091 0.020 1 1265 293 139 GLN HA H 4.269 0.020 1 1266 293 139 GLN HB2 H 2.157 0.020 2 1267 293 139 GLN HB3 H 2.237 0.020 2 1268 293 139 GLN HG2 H 2.529 0.020 1 1269 293 139 GLN HG3 H 2.529 0.020 1 1270 293 139 GLN CA C 56.454 0.100 1 1271 293 139 GLN CB C 29.069 0.100 1 1272 293 139 GLN N N 118.889 0.100 1 1273 294 140 ASN H H 8.273 0.020 1 1274 294 140 ASN HA H 4.759 0.020 1 1275 294 140 ASN HB2 H 2.811 0.020 2 1276 294 140 ASN HB3 H 2.917 0.020 2 1277 294 140 ASN CA C 53.221 0.100 1 1278 294 140 ASN CB C 38.733 0.100 1 1279 294 140 ASN N N 118.604 0.100 1 1280 295 141 LYS H H 8.089 0.020 1 1281 295 141 LYS HA H 4.360 0.020 1 1282 295 141 LYS HB2 H 1.813 0.020 2 1283 295 141 LYS HB3 H 1.926 0.020 2 1284 295 141 LYS HG2 H 1.472 0.020 1 1285 295 141 LYS HG3 H 1.472 0.020 1 1286 295 141 LYS CA C 56.173 0.100 1 1287 295 141 LYS CB C 32.535 0.100 1 1288 295 141 LYS N N 121.685 0.100 1 1289 296 142 LYS H H 8.024 0.020 1 1290 296 142 LYS HA H 4.208 0.020 1 1291 296 142 LYS HB2 H 1.755 0.020 2 1292 296 142 LYS HB3 H 1.878 0.020 2 1293 296 142 LYS CA C 57.496 0.100 1 1294 296 142 LYS CB C 33.544 0.100 1 1295 296 142 LYS N N 128.090 0.100 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic (constant-time)' '2D 1H-13C HSQC aromatic (constant-time)' '2D 1H-1H NOESY (13C-H rejected in F1 and F2)' '3D HNCA' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D H[C]CH-TOCSY' '3D [H]CCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H TOCSY (13C-H rejected in F1 and F2)' '2D 1H-1H NOESY (13C-H rejected F1, 12C-H rejected F2)' '2D 1H-1H NOESY (13C-H and 15N-H rejected in F1 and F2)' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name H3_tail_1-15_K9me3 _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 ALA HA H 4.514 0.020 1 2 1 1 ALA HB H 1.592 0.020 1 3 2 2 ARG H H 10.147 0.020 1 4 2 2 ARG HA H 4.401 0.020 1 5 2 2 ARG HB2 H 1.834 0.020 1 6 2 2 ARG HB3 H 1.834 0.020 1 7 2 2 ARG HG2 H 1.664 0.020 1 8 2 2 ARG HG3 H 1.664 0.020 1 9 2 2 ARG HD2 H 3.352 0.020 2 10 2 2 ARG HD3 H 3.226 0.020 2 11 3 3 THR H H 8.321 0.020 1 12 3 3 THR HA H 5.608 0.020 1 13 3 3 THR HB H 4.321 0.020 1 14 3 3 THR HG2 H 1.226 0.020 1 15 4 4 LYS H H 8.841 0.020 1 16 4 4 LYS HA H 4.673 0.020 1 17 4 4 LYS HB2 H 1.814 0.020 2 18 4 4 LYS HB3 H 1.916 0.020 2 19 4 4 LYS HG2 H 1.266 0.020 1 20 4 4 LYS HG3 H 1.266 0.020 1 21 4 4 LYS HD2 H 1.647 0.020 1 22 4 4 LYS HD3 H 1.647 0.020 1 23 4 4 LYS HE2 H 2.803 0.020 1 24 4 4 LYS HE3 H 2.803 0.020 1 25 5 5 GLN H H 8.700 0.020 1 26 5 5 GLN HA H 5.432 0.020 1 27 5 5 GLN HB2 H 2.061 0.020 1 28 5 5 GLN HB3 H 2.061 0.020 1 29 5 5 GLN HG2 H 2.329 0.020 1 30 5 5 GLN HG3 H 2.329 0.020 1 31 6 6 THR H H 9.659 0.020 1 32 6 6 THR HA H 4.668 0.020 1 33 6 6 THR HB H 4.275 0.020 1 34 6 6 THR HG2 H 1.229 0.020 1 35 7 7 ALA H H 8.451 0.020 1 36 7 7 ALA HA H 4.345 0.020 1 37 7 7 ALA HB H 1.458 0.020 1 38 8 8 ARG H H 8.335 0.020 1 39 8 8 ARG HA H 4.352 0.020 1 40 8 8 ARG HB2 H 1.793 0.020 2 41 8 8 ARG HB3 H 1.885 0.020 2 42 8 8 ARG HG2 H 1.732 0.020 1 43 8 8 ARG HG3 H 1.732 0.020 1 44 8 8 ARG HD2 H 3.017 0.020 1 45 8 8 ARG HD3 H 3.017 0.020 1 46 9 9 M3L HA H 4.205 0.020 1 47 9 9 M3L HB2 H 1.897 0.020 1 48 9 9 M3L HB3 H 1.897 0.020 1 49 9 9 M3L HE2 H 3.232 0.020 1 50 9 9 M3L HE3 H 3.232 0.020 1 51 9 9 M3L HM11 H 2.569 0.020 1 52 9 9 M3L HM12 H 2.569 0.020 1 53 9 9 M3L HM13 H 2.569 0.020 1 54 9 9 M3L HM21 H 2.569 0.020 1 55 9 9 M3L HM22 H 2.569 0.020 1 56 9 9 M3L HM23 H 2.569 0.020 1 57 9 9 M3L HM31 H 2.569 0.020 1 58 9 9 M3L HM32 H 2.569 0.020 1 59 9 9 M3L HM33 H 2.569 0.020 1 stop_ save_