data_15001 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structures and chemical shift assignments for the ADD domain of the ATRX protein ; _BMRB_accession_number 15001 _BMRB_flat_file_name bmr15001.str _Entry_type original _Submission_date 2006-09-13 _Accession_date 2006-09-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Ji-Chun . . 2 Neuhaus David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 728 "13C chemical shifts" 399 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-19 update BMRB 'correct residue numbers in assembly loops' 2008-08-29 update BMRB 'complete entry citation' 2007-06-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural consequences of disease-causing mutations in the ATRX-DNMT3-DNMT3L (ADD) domain of the chromatin-associated protein ATRX' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17609377 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Argentaro Anthony . . 2 Yang Ji-Chun . . 3 Chapman Lynda . . 4 Kowalczyk Monika S. . 5 Gibbons Richard J. . 6 Higgs Douglas R. . 7 Neuhaus David . . 8 Rhodes Daniela . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 104 _Journal_issue 29 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11939 _Page_last 11944 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ADD domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'protein chain' $ADD_domain_156-296 'zinc 1' $ZN 'zinc 2' $ZN 'zinc 3' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'free and other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ADD_domain_156-296 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ADD_domain_156-296 _Molecular_mass . _Mol_thiol_state 'free and other bound' _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 2015-02-06 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 17569 ATRX_ADD_domain 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_ ############# # 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 Thu Sep 29 18:19:17 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 $ADD_domain_156-296 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_type _Vector_name $ADD_domain_156-296 'recombinant technology' 'E. coli' Escherichia coli . plasmid pET30a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ADD_domain_156-296 . mM 0.6 0.8 [U-15N] TRIS 20 mM . . none DTT 1 mM . . none 'zinc chloride' 100 uM . . none 'sodium chloride' 0.5 M . . none stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ADD_domain_156-296 . mM 0.3 0.4 '[U-13C; U-15N]' TRIS 20 mM . . none DTT 1 mM . . none 'zinc chloride' 100 uM . . none 'sodium chloride' 0.5 M . . none stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 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 'T Goddard' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.8 loop_ _Vendor _Address _Electronic_address 'AT Brunger' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'with TXI cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'with TXI cryoprobe' 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_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNHB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_HNHAHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHAHB _Sample_label $sample_2 save_ save_HN(CO)HAHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)HAHB _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 . M pH 6.7 . 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 _Indirect_shift_ratio_citation_label _Reference_correction_type _Correction_value_citation_label TSP C 13 protons ppm 0.0 external indirect . . . 0.251449530 $entry_citation none $entry_citation TSP H 1 protons ppm 0.0 external direct . . . 1 $entry_citation none $entry_citation TSP N 15 protons ppm 0.0 external indirect . . . 0.101329118 $entry_citation none $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D NOESY' '3D 1H-15N NOESY' '3D HNHB' '2D 1H-13C HSQC' '3D HNCACB' '3D HN(CO)CACB' '3D HNCA' '3D HN(CO)CA' HNHAHB HN(CO)HAHB '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-13C NOESY' 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 'protein chain' _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 4.412 0.020 1 2 156 2 ALA HB H 1.472 0.020 1 3 156 2 ALA CA C 52.327 0.100 1 4 156 2 ALA CB C 19.075 0.100 1 5 157 3 MET H H 8.529 0.020 1 6 157 3 MET HA H 4.496 0.020 1 7 157 3 MET HB2 H 2.102 0.020 1 8 157 3 MET HB3 H 2.102 0.020 1 9 157 3 MET CA C 55.334 0.100 1 10 157 3 MET CB C 32.348 0.100 1 11 157 3 MET N N 119.899 0.100 1 12 158 4 ALA H H 8.348 0.020 1 13 158 4 ALA HA H 4.338 0.020 1 14 158 4 ALA HB H 1.454 0.020 1 15 158 4 ALA CA C 52.457 0.100 1 16 158 4 ALA CB C 18.974 0.100 1 17 158 4 ALA N N 125.059 0.100 1 18 159 5 ASP H H 8.272 0.020 1 19 159 5 ASP HA H 4.614 0.020 1 20 159 5 ASP HB2 H 2.704 0.020 2 21 159 5 ASP HB3 H 2.790 0.020 2 22 159 5 ASP CA C 54.040 0.100 1 23 159 5 ASP CB C 40.874 0.100 1 24 159 5 ASP N N 119.526 0.100 1 25 160 6 LYS H H 8.240 0.020 1 26 160 6 LYS HA H 4.365 0.020 1 27 160 6 LYS HB2 H 1.815 0.020 2 28 160 6 LYS HB3 H 1.933 0.020 2 29 160 6 LYS HG2 H 1.509 0.020 1 30 160 6 LYS HG3 H 1.509 0.020 1 31 160 6 LYS CA C 56.096 0.100 1 32 160 6 LYS CB C 32.398 0.100 1 33 160 6 LYS N N 121.762 0.100 1 34 161 7 ARG H H 8.377 0.020 1 35 161 7 ARG HA H 4.369 0.020 1 36 161 7 ARG HB2 H 1.903 0.020 2 37 161 7 ARG HB3 H 1.903 0.020 2 38 161 7 ARG HG2 H 1.712 0.020 2 39 161 7 ARG HG3 H 1.712 0.020 2 40 161 7 ARG CA C 56.153 0.100 1 41 161 7 ARG CB C 30.492 0.100 1 42 161 7 ARG N N 121.698 0.100 1 43 162 8 GLY H H 8.431 0.020 1 44 162 8 GLY HA2 H 4.034 0.020 2 45 162 8 GLY HA3 H 4.034 0.020 2 46 162 8 GLY CA C 45.254 0.100 1 47 162 8 GLY N N 109.751 0.100 1 48 163 9 ASP H H 8.272 0.020 1 49 163 9 ASP HA H 4.683 0.020 1 50 163 9 ASP HB2 H 2.776 0.020 2 51 163 9 ASP HB3 H 2.776 0.020 2 52 163 9 ASP CA C 53.986 0.100 1 53 163 9 ASP CB C 40.955 0.100 1 54 163 9 ASP N N 120.355 0.100 1 55 164 10 GLY H H 8.447 0.020 1 56 164 10 GLY HA2 H 3.970 0.020 2 57 164 10 GLY HA3 H 3.970 0.020 2 58 164 10 GLY CA C 45.258 0.100 1 59 164 10 GLY N N 109.057 0.100 1 60 165 11 LEU H H 8.140 0.020 1 61 165 11 LEU HA H 4.334 0.020 1 62 165 11 LEU HB2 H 1.489 0.020 2 63 165 11 LEU HB3 H 1.580 0.020 2 64 165 11 LEU HG H 1.491 0.020 1 65 165 11 LEU HD1 H 0.820 0.020 2 66 165 11 LEU HD2 H 0.883 0.020 2 67 165 11 LEU CA C 54.795 0.100 1 68 165 11 LEU CB C 41.841 0.100 1 69 165 11 LEU CG C 26.320 0.100 1 70 165 11 LEU CD1 C 23.334 0.100 2 71 165 11 LEU CD2 C 24.638 0.100 2 72 165 11 LEU N N 121.365 0.100 1 73 166 12 HIS H H 8.342 0.020 1 74 166 12 HIS HA H 4.698 0.020 1 75 166 12 HIS HB2 H 3.148 0.020 2 76 166 12 HIS HB3 H 3.266 0.020 2 77 166 12 HIS HD2 H 7.144 0.020 1 78 166 12 HIS HE1 H 8.062 0.020 1 79 166 12 HIS CA C 56.055 0.100 1 80 166 12 HIS CB C 30.120 0.100 1 81 166 12 HIS CD2 C 119.864 0.100 1 82 166 12 HIS CE1 C 137.508 0.100 1 83 166 12 HIS N N 119.254 0.100 1 84 167 13 GLY H H 8.287 0.020 1 85 167 13 GLY HA2 H 4.023 0.020 2 86 167 13 GLY HA3 H 4.023 0.020 2 87 167 13 GLY CA C 45.048 0.100 1 88 167 13 GLY N N 110.094 0.100 1 89 168 14 ILE H H 8.000 0.020 1 90 168 14 ILE HA H 4.334 0.020 1 91 168 14 ILE HB H 1.851 0.020 1 92 168 14 ILE HG12 H 1.194 0.020 2 93 168 14 ILE HG13 H 1.512 0.020 2 94 168 14 ILE HG2 H 0.887 0.020 1 95 168 14 ILE HD1 H 0.867 0.020 1 96 168 14 ILE CA C 60.627 0.100 1 97 168 14 ILE CB C 38.972 0.100 1 98 168 14 ILE CG1 C 26.919 0.100 1 99 168 14 ILE CG2 C 17.245 0.100 1 100 168 14 ILE CD1 C 12.532 0.100 1 101 168 14 ILE N N 119.819 0.100 1 102 169 15 VAL H H 9.043 0.020 1 103 169 15 VAL HA H 4.310 0.020 1 104 169 15 VAL HB H 1.975 0.020 1 105 169 15 VAL HG1 H 0.596 0.020 2 106 169 15 VAL HG2 H 0.815 0.020 2 107 169 15 VAL CA C 61.355 0.100 1 108 169 15 VAL CB C 32.990 0.100 1 109 169 15 VAL CG1 C 20.411 0.100 2 110 169 15 VAL CG2 C 22.123 0.100 2 111 169 15 VAL N N 127.809 0.100 1 112 170 16 SER H H 8.268 0.020 1 113 170 16 SER HA H 5.163 0.020 1 114 170 16 SER HB2 H 3.505 0.020 2 115 170 16 SER HB3 H 3.505 0.020 2 116 170 16 SER CA C 55.994 0.100 1 117 170 16 SER CB C 65.045 0.100 1 118 170 16 SER N N 118.898 0.100 1 119 171 17 CYS H H 8.915 0.020 1 120 171 17 CYS HA H 4.199 0.020 1 121 171 17 CYS HB2 H 2.886 0.020 1 122 171 17 CYS HB3 H 3.593 0.020 1 123 171 17 CYS CA C 59.702 0.100 1 124 171 17 CYS CB C 31.279 0.100 1 125 171 17 CYS N N 124.099 0.100 1 126 172 18 THR H H 8.808 0.020 1 127 172 18 THR HA H 4.398 0.020 1 128 172 18 THR HB H 4.824 0.020 1 129 172 18 THR HG2 H 1.895 0.020 1 130 172 18 THR CA C 64.537 0.100 1 131 172 18 THR CB C 69.570 0.100 1 132 172 18 THR CG2 C 22.608 0.100 1 133 172 18 THR N N 121.908 0.100 1 134 173 19 ALA H H 9.645 0.020 1 135 173 19 ALA HA H 4.485 0.020 1 136 173 19 ALA HB H 1.925 0.020 1 137 173 19 ALA CA C 53.822 0.100 1 138 173 19 ALA CB C 21.909 0.100 1 139 173 19 ALA N N 131.205 0.100 1 140 174 20 CYS H H 8.475 0.020 1 141 174 20 CYS HA H 5.006 0.020 1 142 174 20 CYS HB2 H 2.692 0.020 1 143 174 20 CYS HB3 H 3.274 0.020 1 144 174 20 CYS CA C 57.814 0.100 1 145 174 20 CYS CB C 33.000 0.100 1 146 174 20 CYS N N 115.225 0.100 1 147 175 21 GLY H H 7.817 0.020 1 148 175 21 GLY HA2 H 3.927 0.020 2 149 175 21 GLY HA3 H 4.245 0.020 2 150 175 21 GLY CA C 45.565 0.100 1 151 175 21 GLY N N 112.413 0.100 1 152 176 22 GLN H H 8.738 0.020 1 153 176 22 GLN HA H 4.404 0.020 1 154 176 22 GLN HB2 H 2.360 0.020 1 155 176 22 GLN HB3 H 2.124 0.020 1 156 176 22 GLN HG2 H 2.588 0.020 2 157 176 22 GLN HG3 H 2.914 0.020 2 158 176 22 GLN CA C 56.094 0.100 1 159 176 22 GLN CB C 29.170 0.100 1 160 176 22 GLN CG C 34.104 0.100 1 161 176 22 GLN N N 122.060 0.100 1 162 177 23 GLN H H 8.725 0.020 1 163 177 23 GLN HA H 4.545 0.020 1 164 177 23 GLN HB2 H 1.997 0.020 2 165 177 23 GLN HB3 H 2.108 0.020 2 166 177 23 GLN HG2 H 2.412 0.020 2 167 177 23 GLN HG3 H 2.568 0.020 2 168 177 23 GLN HE21 H 6.946 0.020 1 169 177 23 GLN HE22 H 7.728 0.020 1 170 177 23 GLN CA C 56.483 0.100 1 171 177 23 GLN CB C 28.331 0.100 1 172 177 23 GLN N N 123.135 0.100 1 173 177 23 GLN NE2 N 111.884 0.100 1 174 178 24 VAL H H 8.705 0.020 1 175 178 24 VAL HA H 4.531 0.020 1 176 178 24 VAL HB H 1.953 0.020 1 177 178 24 VAL HG1 H 0.802 0.020 2 178 178 24 VAL HG2 H 0.887 0.020 2 179 178 24 VAL CA C 59.541 0.100 1 180 178 24 VAL CB C 33.345 0.100 1 181 178 24 VAL CG1 C 19.667 0.100 2 182 178 24 VAL CG2 C 21.769 0.100 2 183 178 24 VAL N N 121.379 0.100 1 184 179 25 ASN H H 8.622 0.020 1 185 179 25 ASN HA H 4.861 0.020 1 186 179 25 ASN HB2 H 2.731 0.020 1 187 179 25 ASN HB3 H 2.942 0.020 1 188 179 25 ASN CA C 51.989 0.100 1 189 179 25 ASN N N 121.804 0.100 1 190 180 26 HIS HA H 4.632 0.020 1 191 180 26 HIS HD2 H 6.659 0.020 1 192 180 26 HIS HE1 H 8.163 0.020 1 193 180 26 HIS CD2 C 118.417 0.100 1 194 180 26 HIS CE1 C 136.881 0.100 1 195 181 27 PHE HA H 4.477 0.020 1 196 181 27 PHE HB2 H 2.882 0.020 2 197 181 27 PHE HB3 H 3.103 0.020 2 198 181 27 PHE HD1 H 6.991 0.020 1 199 181 27 PHE HD2 H 6.991 0.020 1 200 181 27 PHE HE1 H 7.195 0.020 1 201 181 27 PHE HE2 H 7.195 0.020 1 202 181 27 PHE HZ H 7.238 0.020 1 203 181 27 PHE CA C 56.798 0.100 1 204 181 27 PHE CB C 38.192 0.100 1 205 181 27 PHE CD1 C 130.565 0.100 1 206 181 27 PHE CD2 C 130.565 0.100 1 207 181 27 PHE CE1 C 130.816 0.100 1 208 181 27 PHE CE2 C 130.816 0.100 1 209 181 27 PHE CZ C 128.500 0.100 1 210 182 28 GLN H H 7.510 0.020 1 211 182 28 GLN HA H 4.571 0.020 1 212 182 28 GLN HB2 H 1.996 0.020 1 213 182 28 GLN HB3 H 2.219 0.020 1 214 182 28 GLN HG2 H 2.381 0.020 2 215 182 28 GLN HG3 H 2.381 0.020 2 216 182 28 GLN CA C 54.095 0.100 1 217 182 28 GLN CB C 30.242 0.100 1 218 182 28 GLN N N 119.485 0.100 1 219 183 29 LYS H H 8.798 0.020 1 220 183 29 LYS HA H 3.953 0.020 1 221 183 29 LYS HB2 H 1.864 0.020 2 222 183 29 LYS HB3 H 1.864 0.020 2 223 183 29 LYS HG2 H 1.501 0.020 2 224 183 29 LYS HG3 H 1.501 0.020 2 225 183 29 LYS HD2 H 1.769 0.020 2 226 183 29 LYS HD3 H 1.769 0.020 2 227 183 29 LYS CA C 58.230 0.100 1 228 183 29 LYS CB C 32.255 0.100 1 229 183 29 LYS CG C 24.089 0.100 1 230 183 29 LYS CE C 41.101 0.100 1 231 183 29 LYS N N 124.390 0.100 1 232 184 30 ASP H H 8.541 0.020 1 233 184 30 ASP HA H 4.490 0.020 1 234 184 30 ASP HB2 H 2.837 0.020 2 235 184 30 ASP HB3 H 2.913 0.020 2 236 184 30 ASP CA C 54.258 0.100 1 237 184 30 ASP CB C 39.806 0.100 1 238 184 30 ASP N N 116.515 0.100 1 239 185 31 SER H H 7.917 0.020 1 240 185 31 SER HA H 4.718 0.020 1 241 185 31 SER HB2 H 3.966 0.020 2 242 185 31 SER HB3 H 4.053 0.020 2 243 185 31 SER CA C 59.905 0.100 1 244 185 31 SER CB C 65.123 0.100 1 245 185 31 SER N N 111.763 0.100 1 246 186 32 ILE H H 7.090 0.020 1 247 186 32 ILE HA H 4.874 0.020 1 248 186 32 ILE HB H 1.497 0.020 1 249 186 32 ILE HG12 H 0.855 0.020 2 250 186 32 ILE HG13 H 1.207 0.020 2 251 186 32 ILE HG2 H 0.709 0.020 1 252 186 32 ILE HD1 H 0.097 0.020 1 253 186 32 ILE CA C 59.273 0.100 1 254 186 32 ILE CB C 41.765 0.100 1 255 186 32 ILE CG1 C 24.272 0.100 1 256 186 32 ILE CG2 C 19.180 0.100 1 257 186 32 ILE CD1 C 13.573 0.100 1 258 186 32 ILE N N 113.581 0.100 1 259 187 33 TYR H H 8.901 0.020 1 260 187 33 TYR HA H 4.543 0.020 1 261 187 33 TYR HB2 H 2.332 0.020 2 262 187 33 TYR HB3 H 2.512 0.020 2 263 187 33 TYR HD1 H 6.290 0.020 1 264 187 33 TYR HD2 H 6.290 0.020 1 265 187 33 TYR HE1 H 6.444 0.020 1 266 187 33 TYR HE2 H 6.444 0.020 1 267 187 33 TYR CA C 57.007 0.100 1 268 187 33 TYR CB C 43.215 0.100 1 269 187 33 TYR CD1 C 131.614 0.100 1 270 187 33 TYR CD2 C 131.614 0.100 1 271 187 33 TYR CE1 C 117.322 0.100 1 272 187 33 TYR CE2 C 117.322 0.100 1 273 187 33 TYR N N 119.205 0.100 1 274 188 34 ARG H H 8.423 0.020 1 275 188 34 ARG HA H 4.688 0.020 1 276 188 34 ARG HB2 H 1.305 0.020 2 277 188 34 ARG HB3 H 1.441 0.020 2 278 188 34 ARG HG2 H 1.200 0.020 2 279 188 34 ARG HG3 H 1.286 0.020 2 280 188 34 ARG CA C 54.715 0.100 1 281 188 34 ARG CB C 31.087 0.100 1 282 188 34 ARG N N 118.700 0.100 1 283 189 35 HIS H H 9.789 0.020 1 284 189 35 HIS HA H 4.445 0.020 1 285 189 35 HIS HB2 H 2.881 0.020 1 286 189 35 HIS HB3 H 3.061 0.020 1 287 189 35 HIS HD2 H 7.200 0.020 1 288 189 35 HIS HE1 H 7.662 0.020 1 289 189 35 HIS CA C 55.566 0.100 1 290 189 35 HIS CB C 32.199 0.100 1 291 189 35 HIS CD2 C 117.926 0.100 1 292 189 35 HIS CE1 C 139.740 0.100 1 293 189 35 HIS N N 126.699 0.100 1 294 190 36 PRO HA H 4.330 0.020 1 295 190 36 PRO HB2 H 2.052 0.020 2 296 190 36 PRO HB3 H 2.561 0.020 2 297 190 36 PRO HG2 H 2.149 0.020 2 298 190 36 PRO HG3 H 2.149 0.020 2 299 190 36 PRO HD2 H 2.235 0.020 2 300 190 36 PRO HD3 H 3.817 0.020 2 301 190 36 PRO CA C 65.124 0.100 1 302 190 36 PRO CB C 32.855 0.100 1 303 190 36 PRO CD C 49.761 0.100 1 304 191 37 SER H H 8.941 0.020 1 305 191 37 SER HA H 4.929 0.020 1 306 191 37 SER HB2 H 3.804 0.020 2 307 191 37 SER HB3 H 3.944 0.020 2 308 191 37 SER CA C 59.292 0.100 1 309 191 37 SER CB C 64.707 0.100 1 310 191 37 SER N N 110.626 0.100 1 311 192 38 LEU H H 8.509 0.020 1 312 192 38 LEU HA H 4.126 0.020 1 313 192 38 LEU HB2 H 0.630 0.020 2 314 192 38 LEU HB3 H 0.766 0.020 2 315 192 38 LEU HG H 0.721 0.020 1 316 192 38 LEU HD1 H -0.647 0.020 2 317 192 38 LEU HD2 H 0.409 0.020 2 318 192 38 LEU CA C 55.253 0.100 1 319 192 38 LEU CB C 43.771 0.100 1 320 192 38 LEU CG C 26.715 0.100 1 321 192 38 LEU CD1 C 24.231 0.100 2 322 192 38 LEU CD2 C 22.261 0.100 2 323 192 38 LEU N N 120.801 0.100 1 324 193 39 GLN H H 8.533 0.020 1 325 193 39 GLN HA H 3.917 0.020 1 326 193 39 GLN HB2 H 2.370 0.020 2 327 193 39 GLN HB3 H 2.483 0.020 2 328 193 39 GLN CA C 56.596 0.100 1 329 193 39 GLN CB C 24.841 0.100 1 330 193 39 GLN N N 108.902 0.100 1 331 194 40 VAL H H 6.283 0.020 1 332 194 40 VAL HA H 4.576 0.020 1 333 194 40 VAL HB H 2.691 0.020 1 334 194 40 VAL HG1 H 0.641 0.020 2 335 194 40 VAL HG2 H 0.774 0.020 2 336 194 40 VAL CA C 58.700 0.100 1 337 194 40 VAL CB C 32.915 0.100 1 338 194 40 VAL CG1 C 18.217 0.100 2 339 194 40 VAL CG2 C 22.555 0.100 2 340 194 40 VAL N N 105.399 0.100 1 341 195 41 LEU H H 9.138 0.020 1 342 195 41 LEU HA H 4.853 0.020 1 343 195 41 LEU HB2 H 2.072 0.020 1 344 195 41 LEU HB3 H 1.707 0.020 1 345 195 41 LEU HG H 1.792 0.020 1 346 195 41 LEU HD1 H 0.917 0.020 2 347 195 41 LEU HD2 H 1.064 0.020 2 348 195 41 LEU CA C 57.992 0.100 1 349 195 41 LEU CB C 43.407 0.100 1 350 195 41 LEU CG C 27.900 0.100 1 351 195 41 LEU CD1 C 25.041 0.100 2 352 195 41 LEU CD2 C 26.631 0.100 2 353 195 41 LEU N N 123.315 0.100 1 354 196 42 ILE H H 9.794 0.020 1 355 196 42 ILE HA H 6.362 0.020 1 356 196 42 ILE HB H 2.389 0.020 1 357 196 42 ILE HG12 H 1.331 0.020 2 358 196 42 ILE HG13 H 1.785 0.020 2 359 196 42 ILE HG2 H 1.415 0.020 1 360 196 42 ILE HD1 H 0.978 0.020 1 361 196 42 ILE CA C 59.016 0.100 1 362 196 42 ILE CB C 42.999 0.100 1 363 196 42 ILE CG1 C 25.165 0.100 1 364 196 42 ILE CG2 C 18.988 0.100 1 365 196 42 ILE CD1 C 13.569 0.100 1 366 196 42 ILE N N 124.667 0.100 1 367 197 43 CYS H H 9.861 0.020 1 368 197 43 CYS HA H 5.270 0.020 1 369 197 43 CYS HB2 H 3.844 0.020 1 370 197 43 CYS HB3 H 2.983 0.020 1 371 197 43 CYS CA C 56.572 0.100 1 372 197 43 CYS CB C 33.146 0.100 1 373 197 43 CYS N N 121.901 0.100 1 374 198 44 LYS H H 8.116 0.020 1 375 198 44 LYS HA H 4.016 0.020 1 376 198 44 LYS HB2 H 2.108 0.020 2 377 198 44 LYS HB3 H 2.310 0.020 2 378 198 44 LYS HG2 H 1.567 0.020 2 379 198 44 LYS HG3 H 1.567 0.020 2 380 198 44 LYS HD2 H 1.931 0.020 2 381 198 44 LYS HD3 H 1.931 0.020 2 382 198 44 LYS CA C 59.429 0.100 1 383 198 44 LYS CB C 32.681 0.100 1 384 198 44 LYS N N 118.169 0.100 1 385 199 45 ASN H H 8.357 0.020 1 386 199 45 ASN HA H 4.544 0.020 1 387 199 45 ASN HB2 H 3.129 0.020 1 388 199 45 ASN HB3 H 2.960 0.020 1 389 199 45 ASN CA C 56.555 0.100 1 390 199 45 ASN CB C 38.077 0.100 1 391 199 45 ASN N N 119.500 0.100 1 392 200 46 CYS H H 9.162 0.020 1 393 200 46 CYS HA H 4.199 0.020 1 394 200 46 CYS HB2 H 3.137 0.020 1 395 200 46 CYS HB3 H 3.207 0.020 1 396 200 46 CYS CA C 65.445 0.100 1 397 200 46 CYS CB C 28.037 0.100 1 398 200 46 CYS N N 126.197 0.100 1 399 201 47 PHE H H 8.830 0.020 1 400 201 47 PHE HA H 3.914 0.020 1 401 201 47 PHE HB2 H 2.520 0.020 2 402 201 47 PHE HB3 H 2.644 0.020 2 403 201 47 PHE HD1 H 6.618 0.020 1 404 201 47 PHE HD2 H 6.618 0.020 1 405 201 47 PHE HE1 H 7.263 0.020 1 406 201 47 PHE HE2 H 7.263 0.020 1 407 201 47 PHE HZ H 7.365 0.020 1 408 201 47 PHE CA C 61.917 0.100 1 409 201 47 PHE CB C 39.095 0.100 1 410 201 47 PHE CD1 C 131.000 0.100 1 411 201 47 PHE CD2 C 131.000 0.100 1 412 201 47 PHE CE1 C 130.816 0.100 1 413 201 47 PHE CE2 C 130.816 0.100 1 414 201 47 PHE CZ C 129.658 0.100 1 415 201 47 PHE N N 121.600 0.100 1 416 202 48 LYS H H 8.418 0.020 1 417 202 48 LYS HA H 3.744 0.020 1 418 202 48 LYS HB2 H 1.894 0.020 2 419 202 48 LYS HB3 H 2.027 0.020 2 420 202 48 LYS CA C 58.656 0.100 1 421 202 48 LYS CB C 31.324 0.100 1 422 202 48 LYS N N 117.506 0.100 1 423 203 49 TYR H H 8.019 0.020 1 424 203 49 TYR HA H 4.260 0.020 1 425 203 49 TYR HB2 H 3.267 0.020 1 426 203 49 TYR HB3 H 3.064 0.020 1 427 203 49 TYR HD1 H 7.190 0.020 1 428 203 49 TYR HD2 H 7.190 0.020 1 429 203 49 TYR HE1 H 6.883 0.020 1 430 203 49 TYR HE2 H 6.883 0.020 1 431 203 49 TYR CA C 60.908 0.100 1 432 203 49 TYR CB C 38.107 0.100 1 433 203 49 TYR CD1 C 132.579 0.100 1 434 203 49 TYR CD2 C 132.579 0.100 1 435 203 49 TYR CE1 C 118.491 0.100 1 436 203 49 TYR CE2 C 118.491 0.100 1 437 203 49 TYR N N 119.798 0.100 1 438 204 50 TYR H H 8.705 0.020 1 439 204 50 TYR HA H 3.622 0.020 1 440 204 50 TYR HB2 H 2.868 0.020 2 441 204 50 TYR HB3 H 3.069 0.020 2 442 204 50 TYR HD1 H 6.790 0.020 1 443 204 50 TYR HD2 H 6.790 0.020 1 444 204 50 TYR HE1 H 7.062 0.020 1 445 204 50 TYR HE2 H 7.062 0.020 1 446 204 50 TYR CA C 61.755 0.100 1 447 204 50 TYR CB C 38.031 0.100 1 448 204 50 TYR CD1 C 132.700 0.100 1 449 204 50 TYR CD2 C 132.700 0.100 1 450 204 50 TYR CE1 C 117.690 0.100 1 451 204 50 TYR CE2 C 117.690 0.100 1 452 204 50 TYR N N 122.800 0.100 1 453 205 51 MET H H 7.804 0.020 1 454 205 51 MET HA H 4.310 0.020 1 455 205 51 MET HB2 H 1.708 0.020 2 456 205 51 MET HB3 H 1.857 0.020 2 457 205 51 MET CA C 53.830 0.100 1 458 205 51 MET CB C 30.364 0.100 1 459 205 51 MET N N 112.013 0.100 1 460 206 52 SER H H 7.513 0.020 1 461 206 52 SER HA H 4.079 0.020 1 462 206 52 SER HB2 H 3.923 0.020 2 463 206 52 SER HB3 H 4.012 0.020 2 464 206 52 SER CA C 60.664 0.100 1 465 206 52 SER CB C 63.287 0.100 1 466 206 52 SER N N 115.700 0.100 1 467 207 53 ASP H H 7.273 0.020 1 468 207 53 ASP HA H 4.669 0.020 1 469 207 53 ASP HB2 H 2.494 0.020 2 470 207 53 ASP HB3 H 2.494 0.020 2 471 207 53 ASP CA C 52.753 0.100 1 472 207 53 ASP CB C 42.844 0.100 1 473 207 53 ASP N N 119.016 0.100 1 474 208 54 ASP H H 8.522 0.020 1 475 208 54 ASP HA H 4.512 0.020 1 476 208 54 ASP HB2 H 2.429 0.020 1 477 208 54 ASP HB3 H 2.568 0.020 1 478 208 54 ASP CA C 53.525 0.100 1 479 208 54 ASP CB C 41.229 0.100 1 480 208 54 ASP N N 120.622 0.100 1 481 209 55 ILE H H 8.264 0.020 1 482 209 55 ILE HA H 4.003 0.020 1 483 209 55 ILE HB H 1.724 0.020 1 484 209 55 ILE HG12 H 1.097 0.020 2 485 209 55 ILE HG13 H 1.622 0.020 2 486 209 55 ILE HG2 H 1.005 0.020 1 487 209 55 ILE HD1 H 0.801 0.020 1 488 209 55 ILE CA C 61.585 0.100 1 489 209 55 ILE CB C 37.898 0.100 1 490 209 55 ILE CG1 C 27.971 0.100 1 491 209 55 ILE CG2 C 16.410 0.100 1 492 209 55 ILE CD1 C 12.525 0.100 1 493 209 55 ILE N N 125.000 0.100 1 494 210 56 SER H H 8.652 0.020 1 495 210 56 SER HA H 4.305 0.020 1 496 210 56 SER HB2 H 3.881 0.020 2 497 210 56 SER HB3 H 4.083 0.020 2 498 210 56 SER CA C 58.413 0.100 1 499 210 56 SER CB C 64.420 0.100 1 500 210 56 SER N N 126.208 0.100 1 501 211 57 ARG H H 8.223 0.020 1 502 211 57 ARG HA H 5.105 0.020 1 503 211 57 ARG HB2 H 1.584 0.020 2 504 211 57 ARG HB3 H 1.677 0.020 2 505 211 57 ARG CA C 53.936 0.100 1 506 211 57 ARG CB C 33.718 0.100 1 507 211 57 ARG N N 118.722 0.100 1 508 212 58 ASP H H 9.033 0.020 1 509 212 58 ASP HA H 4.555 0.020 1 510 212 58 ASP HB2 H 2.841 0.020 2 511 212 58 ASP HB3 H 3.303 0.020 2 512 212 58 ASP CA C 52.684 0.100 1 513 212 58 ASP CB C 41.261 0.100 1 514 212 58 ASP N N 122.288 0.100 1 515 213 59 SER H H 8.529 0.020 1 516 213 59 SER HA H 4.253 0.020 1 517 213 59 SER HB2 H 3.962 0.020 2 518 213 59 SER HB3 H 4.060 0.020 2 519 213 59 SER CA C 60.586 0.100 1 520 213 59 SER CB C 62.522 0.100 1 521 213 59 SER N N 114.000 0.100 1 522 214 60 ASP H H 8.317 0.020 1 523 214 60 ASP HA H 4.884 0.020 1 524 214 60 ASP HB2 H 2.760 0.020 2 525 214 60 ASP HB3 H 2.908 0.020 2 526 214 60 ASP CA C 54.117 0.100 1 527 214 60 ASP CB C 41.842 0.100 1 528 214 60 ASP N N 121.405 0.100 1 529 215 61 GLY H H 8.338 0.020 1 530 215 61 GLY HA2 H 3.678 0.020 2 531 215 61 GLY HA3 H 4.230 0.020 2 532 215 61 GLY CA C 45.169 0.100 1 533 215 61 GLY N N 108.866 0.100 1 534 216 62 MET H H 8.416 0.020 1 535 216 62 MET HA H 4.949 0.020 1 536 216 62 MET HB2 H 2.185 0.020 2 537 216 62 MET HB3 H 2.362 0.020 2 538 216 62 MET CA C 52.834 0.100 1 539 216 62 MET CB C 31.178 0.100 1 540 216 62 MET N N 121.115 0.100 1 541 217 63 ASP H H 9.166 0.020 1 542 217 63 ASP HA H 4.881 0.020 1 543 217 63 ASP CA C 55.052 0.100 1 544 217 63 ASP CB C 40.938 0.100 1 545 217 63 ASP N N 124.942 0.100 1 546 218 64 GLU H H 8.469 0.020 1 547 218 64 GLU HA H 4.274 0.020 1 548 218 64 GLU HB2 H 2.139 0.020 2 549 218 64 GLU HB3 H 2.139 0.020 2 550 218 64 GLU CA C 55.059 0.100 1 551 218 64 GLU CB C 30.866 0.100 1 552 218 64 GLU N N 114.548 0.100 1 553 219 65 GLN H H 7.189 0.020 1 554 219 65 GLN HA H 4.462 0.020 1 555 219 65 GLN HB2 H 1.626 0.020 2 556 219 65 GLN HB3 H 1.916 0.020 2 557 219 65 GLN CA C 53.819 0.100 1 558 219 65 GLN CB C 32.621 0.100 1 559 219 65 GLN N N 115.056 0.100 1 560 220 66 CYS H H 8.502 0.020 1 561 220 66 CYS HA H 4.106 0.020 1 562 220 66 CYS HB2 H 2.877 0.020 1 563 220 66 CYS HB3 H 2.937 0.020 1 564 220 66 CYS CA C 57.782 0.100 1 565 220 66 CYS CB C 31.922 0.100 1 566 220 66 CYS N N 122.897 0.100 1 567 221 67 ARG H H 9.183 0.020 1 568 221 67 ARG HA H 4.101 0.020 1 569 221 67 ARG CA C 55.026 0.100 1 570 221 67 ARG CB C 26.709 0.100 1 571 221 67 ARG N N 130.904 0.100 1 572 222 68 TRP H H 9.646 0.020 1 573 222 68 TRP HA H 4.448 0.020 1 574 222 68 TRP HB2 H 3.233 0.020 2 575 222 68 TRP HB3 H 3.233 0.020 2 576 222 68 TRP HD1 H 7.087 0.020 1 577 222 68 TRP HE1 H 10.112 0.020 1 578 222 68 TRP HE3 H 6.452 0.020 1 579 222 68 TRP HZ2 H 7.014 0.020 1 580 222 68 TRP HZ3 H 7.561 0.020 1 581 222 68 TRP HH2 H 6.636 0.020 1 582 222 68 TRP CA C 60.105 0.100 1 583 222 68 TRP CB C 31.098 0.100 1 584 222 68 TRP CD1 C 121.983 0.100 1 585 222 68 TRP CZ2 C 113.088 0.100 1 586 222 68 TRP N N 124.574 0.100 1 587 222 68 TRP NE1 N 126.550 0.100 1 588 223 69 CYS H H 8.729 0.020 1 589 223 69 CYS HA H 5.150 0.020 1 590 223 69 CYS HB2 H 3.437 0.020 1 591 223 69 CYS HB3 H 3.083 0.020 1 592 223 69 CYS CA C 58.856 0.100 1 593 223 69 CYS CB C 33.195 0.100 1 594 223 69 CYS N N 116.004 0.100 1 595 224 70 ALA H H 8.816 0.020 1 596 224 70 ALA HA H 4.487 0.020 1 597 224 70 ALA HB H 1.621 0.020 1 598 224 70 ALA CA C 53.848 0.100 1 599 224 70 ALA CB C 16.725 0.100 1 600 224 70 ALA N N 122.176 0.100 1 601 225 71 GLU H H 9.019 0.020 1 602 225 71 GLU HA H 4.978 0.020 1 603 225 71 GLU HB2 H 2.594 0.020 1 604 225 71 GLU HB3 H 2.343 0.020 1 605 225 71 GLU HG2 H 2.434 0.020 2 606 225 71 GLU HG3 H 2.639 0.020 2 607 225 71 GLU CA C 56.080 0.100 1 608 225 71 GLU CB C 31.703 0.100 1 609 225 71 GLU N N 121.489 0.100 1 610 226 72 GLY H H 8.732 0.020 1 611 226 72 GLY HA2 H 3.929 0.020 2 612 226 72 GLY HA3 H 4.622 0.020 2 613 226 72 GLY CA C 44.236 0.100 1 614 226 72 GLY N N 108.403 0.100 1 615 227 73 GLY H H 8.091 0.020 1 616 227 73 GLY HA2 H 3.862 0.020 2 617 227 73 GLY HA3 H 4.309 0.020 2 618 227 73 GLY CA C 44.676 0.100 1 619 227 73 GLY N N 106.589 0.100 1 620 228 74 ASN H H 8.855 0.020 1 621 228 74 ASN HA H 4.744 0.020 1 622 228 74 ASN HB2 H 2.958 0.020 2 623 228 74 ASN HB3 H 2.958 0.020 2 624 228 74 ASN HD21 H 7.840 0.020 1 625 228 74 ASN HD22 H 7.059 0.020 1 626 228 74 ASN CA C 52.858 0.100 1 627 228 74 ASN CB C 37.601 0.100 1 628 228 74 ASN N N 121.486 0.100 1 629 228 74 ASN ND2 N 113.942 0.100 1 630 229 75 LEU H H 8.228 0.020 1 631 229 75 LEU HA H 4.414 0.020 1 632 229 75 LEU HB2 H 1.287 0.020 2 633 229 75 LEU HB3 H 1.785 0.020 2 634 229 75 LEU HG H 1.606 0.020 1 635 229 75 LEU HD1 H 0.591 0.020 2 636 229 75 LEU HD2 H 0.610 0.020 2 637 229 75 LEU CA C 54.544 0.100 1 638 229 75 LEU CB C 43.117 0.100 1 639 229 75 LEU CG C 25.634 0.100 1 640 229 75 LEU CD1 C 22.095 0.100 2 641 229 75 LEU CD2 C 24.655 0.100 2 642 229 75 LEU N N 120.047 0.100 1 643 230 76 ILE H H 9.371 0.020 1 644 230 76 ILE HA H 4.247 0.020 1 645 230 76 ILE HB H 2.030 0.020 1 646 230 76 ILE HG12 H 1.154 0.020 2 647 230 76 ILE HG13 H 1.355 0.020 2 648 230 76 ILE HG2 H 0.581 0.020 1 649 230 76 ILE HD1 H 0.659 0.020 1 650 230 76 ILE CA C 60.467 0.100 1 651 230 76 ILE CB C 37.141 0.100 1 652 230 76 ILE CG1 C 26.728 0.100 1 653 230 76 ILE CG2 C 17.697 0.100 1 654 230 76 ILE CD1 C 12.802 0.100 1 655 230 76 ILE N N 124.803 0.100 1 656 231 77 CYS H H 8.685 0.020 1 657 231 77 CYS HA H 4.841 0.020 1 658 231 77 CYS HB2 H 2.944 0.020 2 659 231 77 CYS HB3 H 3.221 0.020 2 660 231 77 CYS CA C 58.851 0.100 1 661 231 77 CYS CB C 28.509 0.100 1 662 231 77 CYS N N 125.408 0.100 1 663 232 78 CYS H H 8.786 0.020 1 664 232 78 CYS HA H 4.296 0.020 1 665 232 78 CYS HB2 H 2.570 0.020 1 666 232 78 CYS HB3 H 3.239 0.020 1 667 232 78 CYS CA C 61.385 0.100 1 668 232 78 CYS CB C 30.987 0.100 1 669 232 78 CYS N N 125.794 0.100 1 670 233 79 ASP H H 8.616 0.020 1 671 233 79 ASP HA H 4.810 0.020 1 672 233 79 ASP HB2 H 2.115 0.020 2 673 233 79 ASP HB3 H 2.405 0.020 2 674 233 79 ASP CA C 56.527 0.100 1 675 233 79 ASP CB C 41.092 0.100 1 676 233 79 ASP N N 124.265 0.100 1 677 234 80 PHE H H 10.325 0.020 1 678 234 80 PHE HA H 4.516 0.020 1 679 234 80 PHE HB2 H 2.948 0.020 2 680 234 80 PHE HB3 H 3.185 0.020 2 681 234 80 PHE HD1 H 6.896 0.020 1 682 234 80 PHE HD2 H 6.896 0.020 1 683 234 80 PHE HE1 H 6.561 0.020 1 684 234 80 PHE HE2 H 6.561 0.020 1 685 234 80 PHE HZ H 6.762 0.020 1 686 234 80 PHE CA C 59.885 0.100 1 687 234 80 PHE CB C 41.570 0.100 1 688 234 80 PHE CD1 C 131.646 0.100 1 689 234 80 PHE CD2 C 131.646 0.100 1 690 234 80 PHE N N 122.212 0.100 1 691 235 81 CYS H H 8.590 0.020 1 692 235 81 CYS HA H 5.166 0.020 1 693 235 81 CYS HB2 H 2.731 0.020 1 694 235 81 CYS HB3 H 3.264 0.020 1 695 235 81 CYS CA C 57.891 0.100 1 696 235 81 CYS CB C 31.505 0.100 1 697 235 81 CYS N N 125.013 0.100 1 698 236 82 HIS H H 7.001 0.020 1 699 236 82 HIS HA H 5.056 0.020 1 700 236 82 HIS HB2 H 3.244 0.020 2 701 236 82 HIS HB3 H 3.726 0.020 2 702 236 82 HIS HD2 H 7.507 0.020 1 703 236 82 HIS HE1 H 7.720 0.020 1 704 236 82 HIS CA C 55.555 0.100 1 705 236 82 HIS CB C 29.485 0.100 1 706 236 82 HIS CD2 C 121.656 0.100 1 707 236 82 HIS CE1 C 138.509 0.100 1 708 236 82 HIS N N 113.006 0.100 1 709 237 83 ASN H H 9.167 0.020 1 710 237 83 ASN CA C 55.581 0.100 1 711 237 83 ASN CB C 41.520 0.100 1 712 237 83 ASN N N 123.394 0.100 1 713 238 84 ALA H H 9.683 0.020 1 714 238 84 ALA HA H 5.384 0.020 1 715 238 84 ALA HB H 1.380 0.020 1 716 238 84 ALA CA C 50.715 0.100 1 717 238 84 ALA CB C 24.820 0.100 1 718 238 84 ALA N N 122.104 0.100 1 719 239 85 PHE H H 9.265 0.020 1 720 239 85 PHE HA H 6.025 0.020 1 721 239 85 PHE HB2 H 3.301 0.020 1 722 239 85 PHE HB3 H 3.487 0.020 1 723 239 85 PHE HD1 H 7.879 0.020 1 724 239 85 PHE HD2 H 7.879 0.020 1 725 239 85 PHE HE1 H 7.561 0.020 1 726 239 85 PHE HE2 H 7.561 0.020 1 727 239 85 PHE HZ H 7.232 0.020 1 728 239 85 PHE CA C 56.440 0.100 1 729 239 85 PHE CB C 44.620 0.100 1 730 239 85 PHE CD1 C 132.766 0.100 1 731 239 85 PHE CD2 C 132.766 0.100 1 732 239 85 PHE N N 116.724 0.100 1 733 240 86 CYS H H 10.982 0.020 1 734 240 86 CYS HA H 5.488 0.020 1 735 240 86 CYS HB2 H 3.625 0.020 1 736 240 86 CYS HB3 H 2.955 0.020 1 737 240 86 CYS CA C 56.645 0.100 1 738 240 86 CYS CB C 32.174 0.100 1 739 240 86 CYS N N 126.181 0.100 1 740 241 87 LYS H H 8.364 0.020 1 741 241 87 LYS HA H 3.870 0.020 1 742 241 87 LYS HB2 H 1.753 0.020 2 743 241 87 LYS HB3 H 1.972 0.020 2 744 241 87 LYS CA C 59.707 0.100 1 745 241 87 LYS CB C 32.794 0.100 1 746 241 87 LYS CG C 25.839 0.100 1 747 241 87 LYS CD C 29.832 0.100 1 748 241 87 LYS N N 117.628 0.100 1 749 242 88 LYS H H 7.941 0.020 1 750 242 88 LYS HA H 3.998 0.020 1 751 242 88 LYS HB2 H 2.047 0.020 2 752 242 88 LYS HB3 H 2.318 0.020 2 753 242 88 LYS HE2 H 3.115 0.020 2 754 242 88 LYS HE3 H 3.115 0.020 2 755 242 88 LYS CA C 60.345 0.100 1 756 242 88 LYS CB C 32.122 0.100 1 757 242 88 LYS CG C 24.775 0.100 1 758 242 88 LYS CD C 29.206 0.100 1 759 242 88 LYS CE C 41.478 0.100 1 760 242 88 LYS N N 118.838 0.100 1 761 243 89 CYS H H 9.267 0.020 1 762 243 89 CYS HA H 3.739 0.020 1 763 243 89 CYS HB2 H 2.410 0.020 1 764 243 89 CYS HB3 H 3.153 0.020 1 765 243 89 CYS CA C 64.739 0.100 1 766 243 89 CYS CB C 28.002 0.100 1 767 243 89 CYS N N 125.500 0.100 1 768 244 90 ILE H H 7.865 0.020 1 769 244 90 ILE HA H 3.634 0.020 1 770 244 90 ILE HB H 1.800 0.020 1 771 244 90 ILE HG12 H 1.568 0.020 2 772 244 90 ILE HG13 H 2.153 0.020 2 773 244 90 ILE HG2 H 0.970 0.020 1 774 244 90 ILE HD1 H 0.867 0.020 1 775 244 90 ILE CA C 65.751 0.100 1 776 244 90 ILE CB C 38.744 0.100 1 777 244 90 ILE CG1 C 28.314 0.100 1 778 244 90 ILE CG2 C 17.558 0.100 1 779 244 90 ILE CD1 C 13.707 0.100 1 780 244 90 ILE N N 119.795 0.100 1 781 245 91 LEU H H 8.779 0.020 1 782 245 91 LEU HA H 3.712 0.020 1 783 245 91 LEU HB2 H 1.566 0.020 2 784 245 91 LEU HB3 H 1.861 0.020 2 785 245 91 LEU HG H 1.659 0.020 1 786 245 91 LEU HD1 H 0.863 0.020 2 787 245 91 LEU HD2 H 0.873 0.020 2 788 245 91 LEU CA C 58.429 0.100 1 789 245 91 LEU CB C 42.218 0.100 1 790 245 91 LEU CD1 C 23.339 0.100 2 791 245 91 LEU CD2 C 23.972 0.100 2 792 245 91 LEU N N 120.336 0.100 1 793 246 92 ARG H H 8.105 0.020 1 794 246 92 ARG HA H 3.849 0.020 1 795 246 92 ARG HB2 H 1.911 0.020 2 796 246 92 ARG HB3 H 1.911 0.020 2 797 246 92 ARG CA C 58.725 0.100 1 798 246 92 ARG CB C 30.670 0.100 1 799 246 92 ARG N N 117.121 0.100 1 800 247 93 ASN H H 7.167 0.020 1 801 247 93 ASN HA H 4.633 0.020 1 802 247 93 ASN HB2 H 2.234 0.020 2 803 247 93 ASN HB3 H 2.524 0.020 2 804 247 93 ASN CA C 55.924 0.100 1 805 247 93 ASN CB C 41.836 0.100 1 806 247 93 ASN N N 111.300 0.100 1 807 248 94 LEU H H 8.474 0.020 1 808 248 94 LEU HA H 4.857 0.020 1 809 248 94 LEU HB2 H 1.690 0.020 2 810 248 94 LEU HB3 H 2.036 0.020 2 811 248 94 LEU HD1 H 0.963 0.020 2 812 248 94 LEU HD2 H 0.963 0.020 2 813 248 94 LEU CA C 55.189 0.100 1 814 248 94 LEU CB C 43.414 0.100 1 815 248 94 LEU CD1 C 25.458 0.100 2 816 248 94 LEU CD2 C 25.458 0.100 2 817 248 94 LEU N N 119.184 0.100 1 818 249 95 GLY H H 7.985 0.020 1 819 249 95 GLY HA2 H 4.204 0.020 2 820 249 95 GLY HA3 H 4.665 0.020 2 821 249 95 GLY CA C 44.488 0.100 1 822 249 95 GLY N N 108.515 0.100 1 823 250 96 ARG H H 8.551 0.020 1 824 250 96 ARG HA H 3.864 0.020 1 825 250 96 ARG HB2 H 1.894 0.020 2 826 250 96 ARG HB3 H 1.894 0.020 2 827 250 96 ARG CA C 58.696 0.100 1 828 250 96 ARG CB C 30.121 0.100 1 829 250 96 ARG N N 118.208 0.100 1 830 251 97 LYS H H 8.579 0.020 1 831 251 97 LYS HA H 4.182 0.020 1 832 251 97 LYS HB2 H 1.962 0.020 2 833 251 97 LYS HB3 H 1.962 0.020 2 834 251 97 LYS CA C 59.007 0.100 1 835 251 97 LYS CB C 31.359 0.100 1 836 251 97 LYS N N 121.459 0.100 1 837 252 98 GLU H H 7.751 0.020 1 838 252 98 GLU HA H 4.366 0.020 1 839 252 98 GLU HB2 H 1.786 0.020 2 840 252 98 GLU HB3 H 1.786 0.020 2 841 252 98 GLU CA C 58.330 0.100 1 842 252 98 GLU CB C 28.386 0.100 1 843 252 98 GLU N N 122.221 0.100 1 844 253 99 LEU H H 7.345 0.020 1 845 253 99 LEU HA H 3.948 0.020 1 846 253 99 LEU HB2 H 1.317 0.020 2 847 253 99 LEU HB3 H 1.982 0.020 2 848 253 99 LEU HG H 1.678 0.020 1 849 253 99 LEU HD1 H 0.864 0.020 2 850 253 99 LEU HD2 H 0.983 0.020 2 851 253 99 LEU CA C 57.749 0.100 1 852 253 99 LEU CB C 41.436 0.100 1 853 253 99 LEU CD1 C 23.710 0.100 2 854 253 99 LEU CD2 C 25.840 0.100 2 855 253 99 LEU N N 117.884 0.100 1 856 254 100 SER H H 8.413 0.020 1 857 254 100 SER HA H 4.145 0.020 1 858 254 100 SER HB2 H 4.047 0.020 2 859 254 100 SER HB3 H 4.047 0.020 2 860 254 100 SER CA C 61.489 0.100 1 861 254 100 SER CB C 62.387 0.100 1 862 254 100 SER N N 112.805 0.100 1 863 255 101 THR H H 7.999 0.020 1 864 255 101 THR HA H 4.086 0.020 1 865 255 101 THR HB H 4.488 0.020 1 866 255 101 THR HG2 H 1.363 0.020 1 867 255 101 THR CA C 65.880 0.100 1 868 255 101 THR CB C 68.756 0.100 1 869 255 101 THR CG2 C 21.105 0.100 1 870 255 101 THR N N 118.186 0.100 1 871 256 102 ILE H H 7.856 0.020 1 872 256 102 ILE HA H 3.412 0.020 1 873 256 102 ILE HB H 1.271 0.020 1 874 256 102 ILE HG12 H 0.003 0.020 2 875 256 102 ILE HG13 H 1.354 0.020 2 876 256 102 ILE HG2 H 0.102 0.020 1 877 256 102 ILE HD1 H 0.346 0.020 1 878 256 102 ILE CA C 64.955 0.100 1 879 256 102 ILE CB C 37.865 0.100 1 880 256 102 ILE CG1 C 26.774 0.100 1 881 256 102 ILE CG2 C 16.601 0.100 1 882 256 102 ILE CD1 C 15.050 0.100 1 883 256 102 ILE N N 121.805 0.100 1 884 257 103 MET H H 7.758 0.020 1 885 257 103 MET HA H 4.195 0.020 1 886 257 103 MET HB2 H 1.963 0.020 2 887 257 103 MET HB3 H 2.266 0.020 2 888 257 103 MET HG2 H 2.494 0.020 2 889 257 103 MET HG3 H 2.732 0.020 2 890 257 103 MET HE H 2.268 0.020 1 891 257 103 MET CA C 56.315 0.100 1 892 257 103 MET CB C 32.149 0.100 1 893 257 103 MET CE C 16.846 0.100 1 894 257 103 MET N N 115.629 0.100 1 895 258 104 ASP H H 7.350 0.020 1 896 258 104 ASP HA H 4.541 0.020 1 897 258 104 ASP HB2 H 2.840 0.020 2 898 258 104 ASP HB3 H 2.968 0.020 2 899 258 104 ASP CA C 55.053 0.100 1 900 258 104 ASP CB C 41.426 0.100 1 901 258 104 ASP N N 120.337 0.100 1 902 259 105 GLU H H 8.688 0.020 1 903 259 105 GLU HA H 4.340 0.020 1 904 259 105 GLU HB2 H 2.104 0.020 2 905 259 105 GLU HB3 H 2.229 0.020 2 906 259 105 GLU HG2 H 2.420 0.020 2 907 259 105 GLU HG3 H 2.420 0.020 2 908 259 105 GLU CA C 57.199 0.100 1 909 259 105 GLU CB C 29.300 0.100 1 910 259 105 GLU N N 125.380 0.100 1 911 260 106 ASN H H 8.701 0.020 1 912 260 106 ASN HA H 4.760 0.020 1 913 260 106 ASN HB2 H 2.851 0.020 2 914 260 106 ASN HB3 H 2.930 0.020 2 915 260 106 ASN CA C 53.637 0.100 1 916 260 106 ASN CB C 38.805 0.100 1 917 260 106 ASN N N 117.480 0.100 1 918 261 107 ASN H H 7.843 0.020 1 919 261 107 ASN HA H 5.021 0.020 1 920 261 107 ASN HB2 H 2.822 0.020 2 921 261 107 ASN HB3 H 2.979 0.020 2 922 261 107 ASN CA C 52.123 0.100 1 923 261 107 ASN CB C 40.698 0.100 1 924 261 107 ASN N N 117.668 0.100 1 925 262 108 GLN H H 8.459 0.020 1 926 262 108 GLN HA H 4.603 0.020 1 927 262 108 GLN HB2 H 1.959 0.020 2 928 262 108 GLN HB3 H 2.120 0.020 2 929 262 108 GLN HG2 H 2.272 0.020 2 930 262 108 GLN HG3 H 2.417 0.020 2 931 262 108 GLN CA C 55.335 0.100 1 932 262 108 GLN CB C 30.764 0.100 1 933 262 108 GLN N N 121.404 0.100 1 934 263 109 TRP H H 10.537 0.020 1 935 263 109 TRP HA H 4.934 0.020 1 936 263 109 TRP HB2 H 3.053 0.020 1 937 263 109 TRP HB3 H 3.408 0.020 1 938 263 109 TRP HD1 H 7.374 0.020 1 939 263 109 TRP HE1 H 10.338 0.020 1 940 263 109 TRP HE3 H 7.448 0.020 1 941 263 109 TRP HZ2 H 6.355 0.020 1 942 263 109 TRP HZ3 H 6.972 0.020 1 943 263 109 TRP HH2 H 6.658 0.020 1 944 263 109 TRP CA C 57.976 0.100 1 945 263 109 TRP CB C 30.317 0.100 1 946 263 109 TRP CD1 C 126.450 0.100 1 947 263 109 TRP CZ2 C 113.704 0.100 1 948 263 109 TRP N N 128.208 0.100 1 949 263 109 TRP NE1 N 133.168 0.100 1 950 264 110 TYR H H 7.488 0.020 1 951 264 110 TYR HA H 4.388 0.020 1 952 264 110 TYR HB2 H 2.360 0.020 1 953 264 110 TYR HB3 H 1.957 0.020 1 954 264 110 TYR HD1 H 6.635 0.020 1 955 264 110 TYR HD2 H 6.635 0.020 1 956 264 110 TYR HE1 H 6.147 0.020 1 957 264 110 TYR HE2 H 6.147 0.020 1 958 264 110 TYR CA C 56.922 0.100 1 959 264 110 TYR CB C 38.880 0.100 1 960 264 110 TYR CD1 C 132.427 0.100 1 961 264 110 TYR CD2 C 132.427 0.100 1 962 264 110 TYR CE1 C 117.120 0.100 1 963 264 110 TYR CE2 C 117.120 0.100 1 964 264 110 TYR N N 126.617 0.100 1 965 265 111 CYS H H 8.605 0.020 1 966 265 111 CYS HB3 H 3.290 0.020 2 967 265 111 CYS CA C 56.456 0.100 1 968 265 111 CYS N N 124.788 0.100 1 969 266 112 TYR HA H 4.289 0.020 1 970 266 112 TYR HB2 H 1.882 0.020 2 971 266 112 TYR HB3 H 3.094 0.020 2 972 266 112 TYR HD1 H 6.791 0.020 1 973 266 112 TYR HD2 H 6.791 0.020 1 974 266 112 TYR HE1 H 6.814 0.020 1 975 266 112 TYR HE2 H 6.814 0.020 1 976 266 112 TYR CA C 57.676 0.100 1 977 266 112 TYR CB C 37.758 0.100 1 978 267 113 ILE H H 9.243 0.020 1 979 267 113 ILE HA H 3.969 0.020 1 980 267 113 ILE HB H 2.243 0.020 1 981 267 113 ILE HG12 H 1.375 0.020 2 982 267 113 ILE HG13 H 1.652 0.020 2 983 267 113 ILE HG2 H 0.928 0.020 1 984 267 113 ILE HD1 H 0.771 0.020 1 985 267 113 ILE CA C 61.405 0.100 1 986 267 113 ILE CB C 35.356 0.100 1 987 267 113 ILE CG1 C 26.564 0.100 1 988 267 113 ILE CG2 C 16.955 0.100 1 989 267 113 ILE CD1 C 9.894 0.100 1 990 267 113 ILE N N 119.848 0.100 1 991 268 114 CYS H H 7.840 0.020 1 992 268 114 CYS HA H 3.844 0.020 1 993 268 114 CYS HB2 H 3.061 0.020 1 994 268 114 CYS HB3 H 2.780 0.020 1 995 268 114 CYS CA C 65.151 0.100 1 996 268 114 CYS CB C 29.437 0.100 1 997 268 114 CYS N N 124.180 0.100 1 998 269 115 HIS H H 8.938 0.020 1 999 269 115 HIS HA H 5.180 0.020 1 1000 269 115 HIS HB2 H 2.643 0.020 2 1001 269 115 HIS HB3 H 3.138 0.020 2 1002 269 115 HIS HD2 H 7.005 0.020 1 1003 269 115 HIS HE1 H 7.816 0.020 1 1004 269 115 HIS CA C 51.725 0.100 1 1005 269 115 HIS CB C 30.426 0.100 1 1006 269 115 HIS CD2 C 117.870 0.100 1 1007 269 115 HIS CE1 C 136.271 0.100 1 1008 269 115 HIS N N 116.790 0.100 1 1009 270 116 PRO HA H 4.989 0.020 1 1010 270 116 PRO HB2 H 2.014 0.020 2 1011 270 116 PRO HB3 H 2.510 0.020 2 1012 270 116 PRO HG2 H 1.840 0.020 2 1013 270 116 PRO HG3 H 1.840 0.020 2 1014 270 116 PRO HD2 H 3.367 0.020 2 1015 270 116 PRO HD3 H 3.714 0.020 2 1016 270 116 PRO CA C 63.360 0.100 1 1017 270 116 PRO CB C 32.388 0.100 1 1018 270 116 PRO CD C 50.350 0.100 1 1019 271 117 GLU H H 8.761 0.020 1 1020 271 117 GLU HA H 4.048 0.020 1 1021 271 117 GLU HB2 H 1.937 0.020 2 1022 271 117 GLU HB3 H 2.076 0.020 2 1023 271 117 GLU HG2 H 2.368 0.020 2 1024 271 117 GLU HG3 H 2.470 0.020 2 1025 271 117 GLU CA C 61.818 0.100 1 1026 271 117 GLU CB C 26.694 0.100 1 1027 271 117 GLU N N 124.117 0.100 1 1028 272 118 PRO HA H 4.571 0.020 1 1029 272 118 PRO HB2 H 1.722 0.020 2 1030 272 118 PRO HB3 H 2.773 0.020 2 1031 272 118 PRO HG2 H 2.301 0.020 2 1032 272 118 PRO HG3 H 2.481 0.020 2 1033 272 118 PRO HD2 H 3.581 0.020 2 1034 272 118 PRO HD3 H 3.818 0.020 2 1035 272 118 PRO CA C 65.380 0.100 1 1036 272 118 PRO CB C 31.712 0.100 1 1037 272 118 PRO CD C 51.198 0.100 1 1038 273 119 LEU H H 8.084 0.020 1 1039 273 119 LEU HA H 4.486 0.020 1 1040 273 119 LEU HB2 H 1.677 0.020 1 1041 273 119 LEU HB3 H 1.899 0.020 1 1042 273 119 LEU HG H 1.408 0.020 1 1043 273 119 LEU HD1 H 0.364 0.020 2 1044 273 119 LEU HD2 H 0.451 0.020 2 1045 273 119 LEU CA C 53.898 0.100 1 1046 273 119 LEU CB C 41.036 0.100 1 1047 273 119 LEU CD1 C 23.311 0.100 2 1048 273 119 LEU CD2 C 26.375 0.100 2 1049 273 119 LEU N N 112.305 0.100 1 1050 274 120 LEU H H 7.824 0.020 1 1051 274 120 LEU HA H 4.058 0.020 1 1052 274 120 LEU HB2 H 1.772 0.020 2 1053 274 120 LEU HB3 H 1.860 0.020 2 1054 274 120 LEU HD1 H 1.008 0.020 2 1055 274 120 LEU HD2 H 0.985 0.020 2 1056 274 120 LEU CA C 59.049 0.100 1 1057 274 120 LEU CB C 42.061 0.100 1 1058 274 120 LEU CD1 C 23.542 0.100 2 1059 274 120 LEU CD2 C 24.045 0.100 2 1060 274 120 LEU N N 121.496 0.100 1 1061 275 121 ASP H H 8.678 0.020 1 1062 275 121 ASP HA H 4.567 0.020 1 1063 275 121 ASP HB2 H 2.747 0.020 2 1064 275 121 ASP HB3 H 2.886 0.020 2 1065 275 121 ASP CA C 57.498 0.100 1 1066 275 121 ASP CB C 39.211 0.100 1 1067 275 121 ASP N N 118.814 0.100 1 1068 276 122 LEU H H 8.017 0.020 1 1069 276 122 LEU HA H 4.413 0.020 1 1070 276 122 LEU HB2 H 1.826 0.020 2 1071 276 122 LEU HB3 H 2.208 0.020 2 1072 276 122 LEU HG H 2.037 0.020 1 1073 276 122 LEU HD1 H 1.207 0.020 2 1074 276 122 LEU HD2 H 1.283 0.020 2 1075 276 122 LEU CA C 57.663 0.100 1 1076 276 122 LEU CB C 42.287 0.100 1 1077 276 122 LEU CD1 C 23.283 0.100 2 1078 276 122 LEU CD2 C 26.905 0.100 2 1079 276 122 LEU N N 123.512 0.100 1 1080 277 123 VAL H H 8.790 0.020 1 1081 277 123 VAL HA H 3.880 0.020 1 1082 277 123 VAL HB H 2.267 0.020 1 1083 277 123 VAL HG1 H 1.038 0.020 2 1084 277 123 VAL HG2 H 1.023 0.020 2 1085 277 123 VAL CA C 66.401 0.100 1 1086 277 123 VAL CB C 32.329 0.100 1 1087 277 123 VAL CG1 C 20.530 0.100 2 1088 277 123 VAL CG2 C 22.319 0.100 2 1089 277 123 VAL N N 127.108 0.100 1 1090 278 124 THR H H 8.730 0.020 1 1091 278 124 THR HA H 4.067 0.020 1 1092 278 124 THR HB H 4.459 0.020 1 1093 278 124 THR HG2 H 1.378 0.020 1 1094 278 124 THR CA C 66.340 0.100 1 1095 278 124 THR CB C 68.568 0.100 1 1096 278 124 THR CG2 C 21.112 0.100 1 1097 278 124 THR N N 117.686 0.100 1 1098 279 125 ALA H H 8.256 0.020 1 1099 279 125 ALA HA H 4.290 0.020 1 1100 279 125 ALA HB H 1.697 0.020 1 1101 279 125 ALA CA C 55.208 0.100 1 1102 279 125 ALA CB C 17.755 0.100 1 1103 279 125 ALA N N 124.950 0.100 1 1104 280 126 CYS H H 8.147 0.020 1 1105 280 126 CYS HA H 4.140 0.020 1 1106 280 126 CYS HB2 H 3.446 0.020 1 1107 280 126 CYS HB3 H 3.714 0.020 1 1108 280 126 CYS CA C 61.964 0.100 1 1109 280 126 CYS CB C 26.291 0.100 1 1110 280 126 CYS N N 119.384 0.100 1 1111 281 127 ASN H H 8.708 0.020 1 1112 281 127 ASN HA H 4.572 0.020 1 1113 281 127 ASN HB2 H 3.282 0.020 1 1114 281 127 ASN HB3 H 3.036 0.020 1 1115 281 127 ASN HD21 H 7.009 0.020 1 1116 281 127 ASN HD22 H 7.944 0.020 1 1117 281 127 ASN CA C 55.979 0.100 1 1118 281 127 ASN CB C 36.754 0.100 1 1119 281 127 ASN N N 118.184 0.100 1 1120 281 127 ASN ND2 N 112.140 0.100 1 1121 282 128 SER H H 8.541 0.020 1 1122 282 128 SER HA H 4.397 0.020 1 1123 282 128 SER HB2 H 4.136 0.020 2 1124 282 128 SER HB3 H 4.174 0.020 2 1125 282 128 SER CA C 61.915 0.100 1 1126 282 128 SER CB C 62.414 0.100 1 1127 282 128 SER N N 116.797 0.100 1 1128 283 129 VAL H H 7.994 0.020 1 1129 283 129 VAL HA H 3.703 0.020 1 1130 283 129 VAL HB H 2.298 0.020 1 1131 283 129 VAL HG1 H 1.050 0.020 2 1132 283 129 VAL HG2 H 0.670 0.020 2 1133 283 129 VAL CA C 66.769 0.100 1 1134 283 129 VAL CB C 30.877 0.100 1 1135 283 129 VAL CG1 C 22.734 0.100 2 1136 283 129 VAL CG2 C 21.808 0.100 2 1137 283 129 VAL N N 123.458 0.100 1 1138 284 130 PHE H H 8.205 0.020 1 1139 284 130 PHE HA H 4.023 0.020 1 1140 284 130 PHE HB2 H 3.113 0.020 2 1141 284 130 PHE HB3 H 3.202 0.020 2 1142 284 130 PHE HD1 H 7.515 0.020 1 1143 284 130 PHE HD2 H 7.515 0.020 1 1144 284 130 PHE HE1 H 7.036 0.020 1 1145 284 130 PHE HE2 H 7.036 0.020 1 1146 284 130 PHE HZ H 6.690 0.020 1 1147 284 130 PHE CA C 63.226 0.100 1 1148 284 130 PHE CB C 38.784 0.100 1 1149 284 130 PHE CD1 C 131.072 0.100 1 1150 284 130 PHE CD2 C 131.072 0.100 1 1151 284 130 PHE CE1 C 131.223 0.100 1 1152 284 130 PHE CE2 C 131.223 0.100 1 1153 284 130 PHE CZ C 128.563 0.100 1 1154 284 130 PHE N N 118.795 0.100 1 1155 285 131 GLU H H 8.682 0.020 1 1156 285 131 GLU HA H 4.223 0.020 1 1157 285 131 GLU HB2 H 2.194 0.020 2 1158 285 131 GLU HB3 H 2.258 0.020 2 1159 285 131 GLU HG2 H 2.376 0.020 2 1160 285 131 GLU HG3 H 2.376 0.020 2 1161 285 131 GLU CA C 58.978 0.100 1 1162 285 131 GLU CB C 29.543 0.100 1 1163 285 131 GLU N N 121.068 0.100 1 1164 286 132 ASN H H 8.073 0.020 1 1165 286 132 ASN HA H 4.616 0.020 1 1166 286 132 ASN HB2 H 2.916 0.020 2 1167 286 132 ASN HB3 H 2.916 0.020 2 1168 286 132 ASN CA C 55.409 0.100 1 1169 286 132 ASN CB C 38.901 0.100 1 1170 286 132 ASN N N 118.163 0.100 1 1171 287 133 LEU H H 7.899 0.020 1 1172 287 133 LEU HA H 4.125 0.020 1 1173 287 133 LEU HB2 H 1.684 0.020 2 1174 287 133 LEU HB3 H 1.822 0.020 2 1175 287 133 LEU HG H 1.673 0.020 1 1176 287 133 LEU HD1 H 0.719 0.020 2 1177 287 133 LEU HD2 H 0.754 0.020 2 1178 287 133 LEU CA C 58.082 0.100 1 1179 287 133 LEU CB C 41.592 0.100 1 1180 287 133 LEU CD1 C 23.694 0.100 2 1181 287 133 LEU CD2 C 24.704 0.100 2 1182 287 133 LEU N N 121.179 0.100 1 1183 288 134 GLU H H 8.167 0.020 1 1184 288 134 GLU HA H 4.094 0.020 1 1185 288 134 GLU HB2 H 2.414 0.020 2 1186 288 134 GLU HB3 H 2.510 0.020 2 1187 288 134 GLU HG2 H 2.402 0.020 2 1188 288 134 GLU HG3 H 2.402 0.020 2 1189 288 134 GLU CA C 58.788 0.100 1 1190 288 134 GLU CB C 28.989 0.100 1 1191 288 134 GLU N N 118.359 0.100 1 1192 289 135 GLN H H 7.864 0.020 1 1193 289 135 GLN HA H 4.192 0.020 1 1194 289 135 GLN HB2 H 2.204 0.020 2 1195 289 135 GLN HB3 H 2.204 0.020 2 1196 289 135 GLN HG2 H 2.517 0.020 2 1197 289 135 GLN HG3 H 2.599 0.020 2 1198 289 135 GLN CA C 57.790 0.100 1 1199 289 135 GLN CB C 28.098 0.100 1 1200 289 135 GLN N N 117.610 0.100 1 1201 290 136 LEU H H 7.963 0.020 1 1202 290 136 LEU HA H 4.189 0.020 1 1203 290 136 LEU HB2 H 1.678 0.020 2 1204 290 136 LEU HB3 H 1.884 0.020 2 1205 290 136 LEU HD1 H 0.899 0.020 2 1206 290 136 LEU HD2 H 0.903 0.020 2 1207 290 136 LEU CA C 56.955 0.100 1 1208 290 136 LEU CB C 41.992 0.100 1 1209 290 136 LEU CD1 C 23.470 0.100 2 1210 290 136 LEU CD2 C 24.924 0.100 2 1211 290 136 LEU N N 121.267 0.100 1 1212 291 137 LEU H H 8.175 0.020 1 1213 291 137 LEU HA H 4.260 0.020 1 1214 291 137 LEU HB2 H 1.659 0.020 2 1215 291 137 LEU HB3 H 1.906 0.020 2 1216 291 137 LEU HD1 H 0.935 0.020 2 1217 291 137 LEU HD2 H 0.950 0.020 2 1218 291 137 LEU CA C 55.893 0.100 1 1219 291 137 LEU CB C 41.191 0.100 1 1220 291 137 LEU CG C 26.111 0.100 1 1221 291 137 LEU CD1 C 22.743 0.100 2 1222 291 137 LEU CD2 C 25.156 0.100 2 1223 291 137 LEU N N 119.215 0.100 1 1224 292 138 GLN H H 7.903 0.020 1 1225 292 138 GLN HA H 4.262 0.020 1 1226 292 138 GLN HB2 H 2.176 0.020 2 1227 292 138 GLN HB3 H 2.251 0.020 2 1228 292 138 GLN HG2 H 2.551 0.020 2 1229 292 138 GLN HG3 H 2.551 0.020 2 1230 292 138 GLN CA C 56.128 0.100 1 1231 292 138 GLN CB C 28.109 0.100 1 1232 292 138 GLN N N 118.115 0.100 1 1233 293 139 GLN H H 8.061 0.020 1 1234 293 139 GLN HA H 4.305 0.020 1 1235 293 139 GLN HB2 H 2.170 0.020 2 1236 293 139 GLN HB3 H 2.248 0.020 2 1237 293 139 GLN HG2 H 2.534 0.020 2 1238 293 139 GLN HG3 H 2.534 0.020 2 1239 293 139 GLN CA C 56.285 0.100 1 1240 293 139 GLN CB C 28.636 0.100 1 1241 293 139 GLN N N 119.168 0.100 1 1242 294 140 ASN H H 8.225 0.020 1 1243 294 140 ASN HA H 4.794 0.020 1 1244 294 140 ASN HB2 H 2.851 0.020 2 1245 294 140 ASN HB3 H 2.946 0.020 2 1246 294 140 ASN CA C 53.013 0.100 1 1247 294 140 ASN CB C 38.581 0.100 1 1248 294 140 ASN N N 118.478 0.100 1 1249 295 141 LYS H H 8.049 0.020 1 1250 295 141 LYS HA H 4.291 0.020 1 1251 295 141 LYS HB2 H 1.843 0.020 2 1252 295 141 LYS HB3 H 1.952 0.020 2 1253 295 141 LYS HG2 H 1.536 0.020 2 1254 295 141 LYS HG3 H 1.536 0.020 2 1255 295 141 LYS CA C 55.732 0.100 1 1256 295 141 LYS CB C 32.508 0.100 1 1257 295 141 LYS N N 121.884 0.100 1 1258 296 142 LYS H H 8.004 0.020 1 1259 296 142 LYS HA H 4.217 0.020 1 1260 296 142 LYS HB2 H 1.783 0.020 2 1261 296 142 LYS HB3 H 1.896 0.020 2 1262 296 142 LYS HG2 H 1.489 0.020 2 1263 296 142 LYS HG3 H 1.489 0.020 2 1264 296 142 LYS CA C 57.392 0.100 1 1265 296 142 LYS CB C 33.270 0.100 1 1266 296 142 LYS N N 128.257 0.100 1 stop_ save_