data_18142 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MOZ ; _BMRB_accession_number 18142 _BMRB_flat_file_name bmr18142.str _Entry_type original _Submission_date 2011-12-15 _Accession_date 2011-12-15 _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 Qiu Yu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 609 "13C chemical shifts" 392 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-26 original author . stop_ _Original_release_date 2012-06-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22713874 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qiu Yu . . 2 Liu Lei . . 3 Zhao Chen . . 4 Han Chuanchun . . 5 Li Fudong . . 6 Zhang Jiahai . . 7 Wu Mian . . 8 Wu Jihui . . 9 Shi Yunyu . . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_volume 26 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1376 _Page_last 1391 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PHD zinc finger' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PHD zinc finger' $entity_1 'ZINC ION_1' $ZN 'ZINC ION_2' $ZN 'ZINC ION_3' $ZN 'ZINC ION_4' $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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 12510.658 _Mol_thiol_state 'all free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; EPIPICSFCLGTKEQNREKK PEELISCADCGNSGHPSCLK FSPELTVRVKALRWQCIECK TCSSCRDQGKNADNMLFCDS CDRGFHMECCDPPLTRMPKG MWICQICRPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 204 GLU 2 206 PRO 3 206 ILE 4 207 PRO 5 208 ILE 6 209 CYS 7 210 SER 8 211 PHE 9 212 CYS 10 213 LEU 11 214 GLY 12 215 THR 13 216 LYS 14 217 GLU 15 218 GLN 16 219 ASN 17 220 ARG 18 221 GLU 19 222 LYS 20 223 LYS 21 224 PRO 22 225 GLU 23 226 GLU 24 227 LEU 25 228 ILE 26 229 SER 27 230 CYS 28 231 ALA 29 232 ASP 30 233 CYS 31 234 GLY 32 235 ASN 33 236 SER 34 237 GLY 35 238 HIS 36 239 PRO 37 240 SER 38 241 CYS 39 242 LEU 40 243 LYS 41 244 PHE 42 245 SER 43 246 PRO 44 247 GLU 45 248 LEU 46 249 THR 47 250 VAL 48 251 ARG 49 252 VAL 50 253 LYS 51 254 ALA 52 255 LEU 53 256 ARG 54 257 TRP 55 258 GLN 56 259 CYS 57 260 ILE 58 261 GLU 59 262 CYS 60 263 LYS 61 264 THR 62 265 CYS 63 266 SER 64 267 SER 65 268 CYS 66 269 ARG 67 270 ASP 68 271 GLN 69 272 GLY 70 273 LYS 71 274 ASN 72 275 ALA 73 276 ASP 74 277 ASN 75 278 MET 76 279 LEU 77 280 PHE 78 281 CYS 79 282 ASP 80 283 SER 81 284 CYS 82 285 ASP 83 286 ARG 84 287 GLY 85 288 PHE 86 289 HIS 87 290 MET 88 291 GLU 89 292 CYS 90 293 CYS 91 294 ASP 92 295 PRO 93 296 PRO 94 297 LEU 95 298 THR 96 299 ARG 97 300 MET 98 301 PRO 99 302 LYS 100 303 GLY 101 304 MET 102 305 TRP 103 306 ILE 104 307 CYS 105 308 GLN 106 309 ILE 107 310 CYS 108 311 ARG 109 312 PRO 110 313 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 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 PDB 2LN0 "Structure Of Moz" 100.00 110 100.00 100.00 4.83e-73 PDB 3V43 "Crystal Structure Of Moz" 100.00 112 100.00 100.00 4.66e-73 PDB 4LJN "Crystal Structure Of Moz Double Phd Finger" 100.00 136 100.00 100.00 1.95e-73 PDB 4LK9 "Crystal Structure Of Moz Double Phd Finger Histone H3 Tail Complex" 100.00 136 100.00 100.00 1.95e-73 PDB 4LKA "Crystal Structure Of Moz Double Phd Finger Histone H3k9ac Complex" 100.00 136 100.00 100.00 1.95e-73 PDB 4LLB "Crystal Structure Of Moz Double Phd Finger Histone H3k14ac Complex" 100.00 136 100.00 100.00 1.95e-73 DBJ BAC25728 "unnamed protein product [Mus musculus]" 100.00 803 98.18 100.00 2.96e-70 DBJ BAC29621 "unnamed protein product [Mus musculus]" 100.00 1010 98.18 100.00 5.61e-70 DBJ BAC30401 "unnamed protein product [Mus musculus]" 100.00 461 98.18 100.00 8.70e-73 DBJ BAC35729 "unnamed protein product [Mus musculus]" 100.00 435 98.18 100.00 4.15e-73 DBJ BAD00088 "chimeric MOZ-ASXH2 fusion protein [Homo sapiens]" 100.00 2228 100.00 100.00 5.65e-71 EMBL CAH89880 "hypothetical protein [Pongo abelii]" 100.00 1275 100.00 100.00 1.84e-70 GB AAC50662 "monocytic leukaemia zinc finger protein [Homo sapiens]" 100.00 2004 100.00 100.00 7.41e-71 GB AAI42660 "MYST3 protein, partial [Homo sapiens]" 100.00 1149 100.00 100.00 8.52e-71 GB AAI42960 "MYST3 protein [Homo sapiens]" 100.00 815 100.00 100.00 5.74e-71 GB AAI63677 "MYST histone acetyltransferase (monocytic leukemia) 3 [Danio rerio]" 100.00 2246 97.27 99.09 4.50e-68 GB AAI72379 "MYST histone acetyltransferase (monocytic leukemia) 3 [synthetic construct]" 100.00 2004 100.00 100.00 6.85e-71 REF NP_001074618 "histone acetyltransferase KAT6A [Mus musculus]" 100.00 2003 98.18 100.00 5.57e-70 REF NP_001094040 "histone acetyltransferase KAT6A [Rattus norvegicus]" 100.00 1998 98.18 100.00 9.74e-70 REF NP_001116784 "histone acetyltransferase KAT6A [Danio rerio]" 100.00 2246 97.27 99.09 4.50e-68 REF NP_001292807 "histone acetyltransferase KAT6A isoform 2 [Homo sapiens]" 100.00 815 100.00 100.00 5.74e-71 REF NP_006757 "histone acetyltransferase KAT6A isoform 1 [Homo sapiens]" 100.00 2004 100.00 100.00 6.85e-71 SP Q5TKR9 "RecName: Full=Histone acetyltransferase KAT6A; AltName: Full=MOZ, YBF2/SAS3, SAS2 and TIP60 protein 3; Short=MYST-3; AltName: F" 100.00 1998 98.18 100.00 9.74e-70 SP Q8BZ21 "RecName: Full=Histone acetyltransferase KAT6A; AltName: Full=MOZ, YBF2/SAS3, SAS2 and TIP60 protein 3; Short=MYST-3; AltName: F" 100.00 2003 98.18 100.00 5.46e-70 SP Q92794 "RecName: Full=Histone acetyltransferase KAT6A; AltName: Full=MOZ, YBF2/SAS3, SAS2 and TIP60 protein 3; Short=MYST-3; AltName: F" 100.00 2004 100.00 100.00 6.85e-71 TPG DAA14459 "TPA: MYST histone acetyltransferase (monocytic leukemia) 3 [Bos taurus]" 100.00 2018 100.00 100.00 1.45e-70 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 Jan 12 11:20:05 2012 ; 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 $entity_1 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 $entity_1 'recombinant technology' . Escherichia coli . pET28a 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 HEPES 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement '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_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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' 0.1 . M pH 8.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.74 internal direct . . . 1 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 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-COSY' 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 'PHD zinc finger' _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 1 207 4 PRO HA H 4.410 0.018 1 2 207 4 PRO HB2 H 1.987 0.020 2 3 207 4 PRO HB3 H 1.987 0.020 2 4 207 4 PRO HD2 H 3.678 0.002 2 5 207 4 PRO HD3 H 3.678 0.002 2 6 207 4 PRO C C 178.375 0.069 1 7 207 4 PRO CA C 63.767 0.057 1 8 207 4 PRO CB C 30.886 0.143 1 9 207 4 PRO CG C 27.337 0.000 1 10 207 4 PRO CD C 51.095 0.072 1 11 208 5 ILE H H 7.432 0.007 1 12 208 5 ILE HA H 4.536 0.012 1 13 208 5 ILE HB H 1.383 0.017 1 14 208 5 ILE HG12 H 0.893 0.019 2 15 208 5 ILE HG13 H 0.893 0.019 2 16 208 5 ILE HG2 H 0.681 0.013 1 17 208 5 ILE HD1 H 0.707 0.010 1 18 208 5 ILE C C 179.146 0.035 1 19 208 5 ILE CA C 58.339 0.123 1 20 208 5 ILE CB C 42.331 0.130 1 21 208 5 ILE CG2 C 17.739 0.058 1 22 208 5 ILE CD1 C 13.568 0.051 1 23 208 5 ILE N N 117.219 0.085 1 24 209 6 CYS H H 8.649 0.012 1 25 209 6 CYS HA H 3.977 0.014 1 26 209 6 CYS HB2 H 3.122 0.014 2 27 209 6 CYS HB3 H 1.700 0.020 2 28 209 6 CYS C C 176.563 0.058 1 29 209 6 CYS CA C 57.732 0.133 1 30 209 6 CYS CB C 30.994 0.126 1 31 209 6 CYS N N 125.214 0.119 1 32 210 7 SER H H 9.038 0.010 1 33 210 7 SER HA H 4.033 0.015 1 34 210 7 SER HB2 H 3.817 0.011 2 35 210 7 SER HB3 H 3.578 0.016 2 36 210 7 SER C C 179.627 0.005 1 37 210 7 SER CA C 61.188 0.073 1 38 210 7 SER CB C 63.246 0.146 1 39 210 7 SER N N 125.162 0.091 1 40 211 8 PHE H H 8.909 0.006 1 41 211 8 PHE HA H 4.402 0.016 1 42 211 8 PHE HB2 H 3.133 0.012 2 43 211 8 PHE HB3 H 3.133 0.012 2 44 211 8 PHE HD1 H 7.324 0.016 3 45 211 8 PHE HD2 H 7.324 0.016 3 46 211 8 PHE C C 176.944 0.038 1 47 211 8 PHE CA C 60.438 0.088 1 48 211 8 PHE CB C 40.057 0.113 1 49 211 8 PHE N N 120.857 0.093 1 50 212 9 CYS H H 8.193 0.007 1 51 212 9 CYS HA H 4.950 0.016 1 52 212 9 CYS HB2 H 3.254 0.015 2 53 212 9 CYS HB3 H 2.916 0.013 2 54 212 9 CYS C C 177.348 0.017 1 55 212 9 CYS CA C 58.542 0.073 1 56 212 9 CYS CB C 32.484 0.136 1 57 212 9 CYS N N 116.889 0.133 1 58 213 10 LEU H H 8.078 0.009 1 59 213 10 LEU HA H 4.291 0.011 1 60 213 10 LEU HB2 H 2.144 0.011 2 61 213 10 LEU HB3 H 1.658 0.014 2 62 213 10 LEU HG H 1.391 0.012 1 63 213 10 LEU HD1 H 0.795 0.015 2 64 213 10 LEU HD2 H 0.854 0.007 2 65 213 10 LEU C C 177.769 0.004 1 66 213 10 LEU CA C 57.071 0.088 1 67 213 10 LEU CB C 38.065 0.067 1 68 213 10 LEU CG C 27.641 0.127 1 69 213 10 LEU CD1 C 22.517 0.071 2 70 213 10 LEU CD2 C 25.064 0.127 2 71 213 10 LEU N N 119.860 0.118 1 72 214 11 GLY H H 9.083 0.011 1 73 214 11 GLY HA2 H 4.539 0.010 2 74 214 11 GLY HA3 H 4.436 0.008 2 75 214 11 GLY C C 179.682 0.025 1 76 214 11 GLY CA C 43.393 0.060 1 77 214 11 GLY N N 110.164 0.130 1 78 215 12 THR H H 7.886 0.009 1 79 215 12 THR HA H 4.911 0.013 1 80 215 12 THR HB H 4.779 0.016 1 81 215 12 THR HG2 H 1.311 0.012 1 82 215 12 THR C C 175.798 0.051 1 83 215 12 THR CA C 60.287 0.093 1 84 215 12 THR CB C 72.952 0.095 1 85 215 12 THR CG2 C 21.519 0.114 1 86 215 12 THR N N 107.402 0.138 1 87 216 13 LYS H H 9.323 0.011 1 88 216 13 LYS HA H 4.940 0.016 1 89 216 13 LYS HB2 H 1.929 0.011 2 90 216 13 LYS HB3 H 1.710 0.020 2 91 216 13 LYS HG2 H 1.455 0.010 2 92 216 13 LYS HG3 H 1.139 0.017 2 93 216 13 LYS HE2 H 2.976 0.010 2 94 216 13 LYS HE3 H 2.976 0.010 2 95 216 13 LYS C C 176.739 0.054 1 96 216 13 LYS CA C 57.260 0.059 1 97 216 13 LYS CB C 31.418 0.112 1 98 216 13 LYS CG C 23.978 0.143 1 99 216 13 LYS CE C 41.884 0.028 1 100 216 13 LYS N N 120.544 0.144 1 101 217 14 GLU H H 8.030 0.010 1 102 217 14 GLU HA H 4.178 0.015 1 103 217 14 GLU HB2 H 2.019 0.015 2 104 217 14 GLU HB3 H 1.709 0.020 2 105 217 14 GLU HG2 H 2.217 0.012 2 106 217 14 GLU HG3 H 2.217 0.012 2 107 217 14 GLU C C 177.263 0.033 1 108 217 14 GLU CA C 57.289 0.139 1 109 217 14 GLU CB C 30.212 0.090 1 110 217 14 GLU CG C 36.738 0.102 1 111 217 14 GLU N N 117.960 0.077 1 112 218 15 GLN H H 7.298 0.009 1 113 218 15 GLN HA H 3.930 0.012 1 114 218 15 GLN HB2 H 2.005 0.015 2 115 218 15 GLN HB3 H 1.813 0.023 2 116 218 15 GLN HG2 H 2.099 0.013 2 117 218 15 GLN HG3 H 2.099 0.013 2 118 218 15 GLN HE21 H 7.535 0.006 2 119 218 15 GLN HE22 H 6.760 0.007 2 120 218 15 GLN C C 180.738 0.063 1 121 218 15 GLN CA C 55.303 0.081 1 122 218 15 GLN CB C 32.489 0.116 1 123 218 15 GLN CG C 34.294 0.021 1 124 218 15 GLN N N 117.536 0.164 1 125 218 15 GLN NE2 N 111.710 0.100 1 126 219 16 ASN H H 8.693 0.008 1 127 219 16 ASN HA H 4.116 0.016 1 128 219 16 ASN HB2 H 2.868 0.013 2 129 219 16 ASN HB3 H 2.015 0.008 2 130 219 16 ASN HD21 H 8.235 0.005 2 131 219 16 ASN HD22 H 6.816 0.012 2 132 219 16 ASN C C 175.692 0.036 1 133 219 16 ASN CA C 51.233 0.058 1 134 219 16 ASN CB C 36.346 0.139 1 135 219 16 ASN N N 124.282 0.111 1 136 219 16 ASN ND2 N 112.347 0.081 1 137 220 17 ARG H H 8.074 0.008 1 138 220 17 ARG HA H 3.984 0.014 1 139 220 17 ARG HB2 H 1.731 0.007 2 140 220 17 ARG HB3 H 1.731 0.007 2 141 220 17 ARG HG2 H 1.663 0.010 2 142 220 17 ARG HG3 H 1.663 0.010 2 143 220 17 ARG HD2 H 3.211 0.014 2 144 220 17 ARG HD3 H 3.211 0.014 2 145 220 17 ARG C C 175.619 0.034 1 146 220 17 ARG CA C 59.703 0.081 1 147 220 17 ARG CB C 29.998 0.088 1 148 220 17 ARG CG C 27.994 0.061 1 149 220 17 ARG CD C 43.369 0.081 1 150 220 17 ARG N N 119.114 0.100 1 151 221 18 GLU H H 7.479 0.008 1 152 221 18 GLU HA H 4.330 0.015 1 153 221 18 GLU HB2 H 2.157 0.006 2 154 221 18 GLU HB3 H 1.820 0.014 2 155 221 18 GLU HG2 H 2.107 0.008 2 156 221 18 GLU HG3 H 2.107 0.008 2 157 221 18 GLU C C 178.806 0.057 1 158 221 18 GLU CA C 55.302 0.042 1 159 221 18 GLU CB C 29.462 0.111 1 160 221 18 GLU CG C 36.611 0.035 1 161 221 18 GLU N N 116.768 0.072 1 162 222 19 LYS H H 8.141 0.007 1 163 222 19 LYS HA H 3.504 0.013 1 164 222 19 LYS HB2 H 2.117 0.014 2 165 222 19 LYS HB3 H 1.908 0.011 2 166 222 19 LYS HG2 H 1.581 0.021 2 167 222 19 LYS HG3 H 1.340 0.012 2 168 222 19 LYS HD2 H 1.193 0.010 2 169 222 19 LYS HD3 H 1.193 0.010 2 170 222 19 LYS HE2 H 2.923 0.006 2 171 222 19 LYS HE3 H 2.923 0.006 2 172 222 19 LYS C C 178.780 0.039 1 173 222 19 LYS CA C 56.933 0.056 1 174 222 19 LYS CB C 28.448 0.098 1 175 222 19 LYS CG C 24.735 0.078 1 176 222 19 LYS N N 113.528 0.102 1 177 223 20 LYS H H 7.704 0.009 1 178 223 20 LYS HA H 4.772 0.017 1 179 223 20 LYS HB2 H 1.760 0.012 2 180 223 20 LYS HD2 H 1.578 0.014 2 181 223 20 LYS HD3 H 1.578 0.014 2 182 223 20 LYS HE2 H 2.909 0.007 2 183 223 20 LYS HE3 H 2.909 0.007 2 184 223 20 LYS C C 180.241 0.000 1 185 223 20 LYS CA C 53.025 0.107 1 186 223 20 LYS CB C 33.783 0.106 1 187 223 20 LYS CD C 28.860 0.046 1 188 223 20 LYS N N 118.859 0.103 1 189 224 21 PRO HA H 4.170 0.019 1 190 224 21 PRO HB2 H 2.213 0.016 2 191 224 21 PRO HB3 H 1.804 0.016 2 192 224 21 PRO HG2 H 2.029 0.013 1 193 224 21 PRO HG3 H 2.029 0.013 1 194 224 21 PRO HD2 H 3.726 0.013 2 195 224 21 PRO HD3 H 3.539 0.009 2 196 224 21 PRO CA C 63.143 0.062 1 197 224 21 PRO CB C 31.879 0.193 1 198 224 21 PRO CG C 27.690 0.099 1 199 224 21 PRO CD C 50.224 0.103 1 200 225 22 GLU H H 8.153 0.010 1 201 225 22 GLU HA H 4.099 0.012 1 202 225 22 GLU HB2 H 1.898 0.002 2 203 225 22 GLU HB3 H 1.898 0.002 2 204 225 22 GLU HG2 H 2.671 0.015 2 205 225 22 GLU HG3 H 2.388 0.017 2 206 225 22 GLU C C 180.423 0.034 1 207 225 22 GLU CA C 56.664 0.070 1 208 225 22 GLU CB C 31.525 0.060 1 209 225 22 GLU CG C 35.174 0.141 1 210 225 22 GLU N N 124.417 0.105 1 211 226 23 GLU H H 8.331 0.011 1 212 226 23 GLU HA H 4.095 0.011 1 213 226 23 GLU HB2 H 1.965 0.010 2 214 226 23 GLU HB3 H 1.965 0.010 2 215 226 23 GLU HG2 H 2.152 0.012 2 216 226 23 GLU HG3 H 2.152 0.012 2 217 226 23 GLU C C 178.924 0.054 1 218 226 23 GLU CA C 56.785 0.054 1 219 226 23 GLU CB C 30.105 0.055 1 220 226 23 GLU CG C 35.967 0.067 1 221 226 23 GLU N N 124.253 0.118 1 222 227 24 LEU H H 8.134 0.013 1 223 227 24 LEU HA H 4.407 0.012 1 224 227 24 LEU HB2 H 1.508 0.016 2 225 227 24 LEU HB3 H 0.972 0.012 2 226 227 24 LEU HG H 1.235 0.012 1 227 227 24 LEU HD1 H 0.562 0.012 2 228 227 24 LEU HD2 H -0.065 0.011 2 229 227 24 LEU C C 175.875 0.062 1 230 227 24 LEU CA C 53.774 0.087 1 231 227 24 LEU CB C 43.487 0.087 1 232 227 24 LEU CD1 C 25.776 0.017 2 233 227 24 LEU CD2 C 23.599 0.026 2 234 227 24 LEU N N 116.619 0.060 1 235 228 25 ILE H H 8.532 0.006 1 236 228 25 ILE HA H 4.328 0.012 1 237 228 25 ILE HB H 1.315 0.012 1 238 228 25 ILE HG12 H 0.988 0.014 2 239 228 25 ILE HG13 H 0.816 0.016 2 240 228 25 ILE HG2 H 0.214 0.012 1 241 228 25 ILE HD1 H 0.209 0.012 1 242 228 25 ILE C C 178.208 0.056 1 243 228 25 ILE CA C 59.563 0.088 1 244 228 25 ILE CB C 38.786 0.174 1 245 228 25 ILE CG1 C 26.730 0.082 1 246 228 25 ILE CG2 C 16.726 0.024 1 247 228 25 ILE CD1 C 12.712 0.037 1 248 228 25 ILE N N 121.137 0.101 1 249 229 26 SER H H 8.551 0.014 1 250 229 26 SER HA H 5.441 0.017 1 251 229 26 SER HB2 H 3.627 0.015 2 252 229 26 SER HB3 H 3.393 0.014 2 253 229 26 SER C C 180.829 0.045 1 254 229 26 SER CA C 57.125 0.049 1 255 229 26 SER CB C 65.532 0.072 1 256 229 26 SER N N 118.669 0.059 1 257 230 27 CYS H H 9.173 0.007 1 258 230 27 CYS HA H 4.395 0.016 1 259 230 27 CYS HB2 H 3.349 0.016 2 260 230 27 CYS HB3 H 2.740 0.019 2 261 230 27 CYS C C 175.619 0.057 1 262 230 27 CYS CA C 59.416 0.070 1 263 230 27 CYS CB C 30.642 0.155 1 264 230 27 CYS N N 127.734 0.100 1 265 231 28 ALA H H 9.264 0.012 1 266 231 28 ALA HA H 4.107 0.012 1 267 231 28 ALA HB H 1.322 0.012 1 268 231 28 ALA C C 176.556 0.041 1 269 231 28 ALA CA C 54.665 0.104 1 270 231 28 ALA CB C 19.545 0.108 1 271 231 28 ALA N N 134.201 0.200 1 272 232 29 ASP H H 8.878 0.005 1 273 232 29 ASP HA H 4.833 0.016 1 274 232 29 ASP HB2 H 2.908 0.011 2 275 232 29 ASP HB3 H 2.653 0.019 2 276 232 29 ASP C C 176.623 0.055 1 277 232 29 ASP CA C 56.777 0.126 1 278 232 29 ASP CB C 43.468 0.084 1 279 232 29 ASP N N 118.648 0.094 1 280 233 30 CYS H H 8.462 0.008 1 281 233 30 CYS HA H 4.907 0.018 1 282 233 30 CYS HB2 H 3.119 0.019 2 283 233 30 CYS HB3 H 2.505 0.012 2 284 233 30 CYS C C 176.778 0.027 1 285 233 30 CYS CA C 59.007 0.066 1 286 233 30 CYS CB C 32.707 0.079 1 287 233 30 CYS N N 119.116 0.078 1 288 234 31 GLY H H 7.611 0.011 1 289 234 31 GLY HA2 H 4.166 0.015 2 290 234 31 GLY HA3 H 3.818 0.008 2 291 234 31 GLY C C 180.408 0.012 1 292 234 31 GLY CA C 46.126 0.087 1 293 234 31 GLY N N 111.890 0.106 1 294 235 32 ASN H H 9.045 0.007 1 295 235 32 ASN HA H 4.658 0.016 1 296 235 32 ASN HB2 H 3.087 0.015 2 297 235 32 ASN HB3 H 2.705 0.018 2 298 235 32 ASN HD21 H 7.783 0.004 2 299 235 32 ASN HD22 H 6.722 0.012 2 300 235 32 ASN C C 177.177 0.031 1 301 235 32 ASN CA C 54.845 0.083 1 302 235 32 ASN CB C 39.021 0.042 1 303 235 32 ASN N N 122.613 0.128 1 304 235 32 ASN ND2 N 112.606 0.048 1 305 236 33 SER H H 8.878 0.008 1 306 236 33 SER HA H 6.012 0.022 1 307 236 33 SER HB2 H 3.769 0.013 2 308 236 33 SER HB3 H 3.534 0.015 2 309 236 33 SER C C 180.053 0.045 1 310 236 33 SER CA C 57.368 0.067 1 311 236 33 SER CB C 66.815 0.088 1 312 236 33 SER N N 118.377 0.108 1 313 237 34 GLY H H 8.899 0.007 1 314 237 34 GLY HA2 H 5.512 0.008 2 315 237 34 GLY HA3 H 3.408 0.019 2 316 237 34 GLY C C 180.702 0.058 1 317 237 34 GLY CA C 44.835 0.071 1 318 237 34 GLY N N 106.459 0.175 1 319 238 35 HIS H H 8.758 0.007 1 320 238 35 HIS HA H 4.979 0.019 1 321 238 35 HIS HB2 H 3.378 0.013 2 322 238 35 HIS HB3 H 3.296 0.017 2 323 238 35 HIS HD2 H 7.317 0.012 1 324 238 35 HIS C C 178.842 0.000 1 325 238 35 HIS CA C 56.387 0.062 1 326 238 35 HIS CB C 30.567 0.044 1 327 238 35 HIS N N 124.158 0.154 1 328 239 36 PRO HA H 3.645 0.017 1 329 239 36 PRO HB2 H 2.582 0.011 2 330 239 36 PRO HB3 H 2.582 0.011 2 331 239 36 PRO HG2 H 2.050 0.011 2 332 239 36 PRO HG3 H 2.050 0.011 2 333 239 36 PRO CA C 66.598 0.054 1 334 239 36 PRO CB C 31.311 0.081 1 335 240 37 SER H H 9.455 0.007 1 336 240 37 SER HA H 4.080 0.014 1 337 240 37 SER HB2 H 3.715 0.018 1 338 240 37 SER HB3 H 3.715 0.018 1 339 240 37 SER C C 174.410 0.010 1 340 240 37 SER CA C 61.053 0.201 1 341 240 37 SER N N 112.141 0.147 1 342 241 38 CYS H H 7.098 0.007 1 343 241 38 CYS HA H 3.916 0.016 1 344 241 38 CYS HB2 H 3.053 0.023 2 345 241 38 CYS HB3 H 2.697 0.015 2 346 241 38 CYS C C 177.170 0.000 1 347 241 38 CYS CA C 63.436 0.091 1 348 241 38 CYS CB C 29.452 0.089 1 349 241 38 CYS N N 125.662 0.064 1 350 242 39 LEU H H 7.540 0.009 1 351 242 39 LEU HA H 3.254 0.017 1 352 242 39 LEU HB2 H 0.688 0.018 2 353 242 39 LEU HB3 H 0.279 0.019 2 354 242 39 LEU HG H -0.040 0.008 1 355 242 39 LEU C C 178.690 0.037 1 356 242 39 LEU CA C 55.586 0.084 1 357 242 39 LEU CB C 41.140 0.091 1 358 242 39 LEU CG C 24.981 0.000 1 359 242 39 LEU N N 119.600 0.058 1 360 243 40 LYS H H 7.341 0.007 1 361 243 40 LYS HA H 3.681 0.014 1 362 243 40 LYS HB2 H 2.111 0.019 2 363 243 40 LYS HB3 H 1.881 0.018 2 364 243 40 LYS HG2 H 1.188 0.014 2 365 243 40 LYS HG3 H 1.188 0.014 2 366 243 40 LYS HD2 H 1.591 0.015 2 367 243 40 LYS HD3 H 1.591 0.015 2 368 243 40 LYS HE2 H 2.927 0.011 2 369 243 40 LYS HE3 H 2.927 0.011 2 370 243 40 LYS C C 177.204 0.057 1 371 243 40 LYS CA C 56.885 0.075 1 372 243 40 LYS CB C 28.150 0.100 1 373 243 40 LYS CG C 24.846 0.155 1 374 243 40 LYS CE C 42.010 0.045 1 375 243 40 LYS N N 111.997 0.101 1 376 244 41 PHE H H 7.799 0.007 1 377 244 41 PHE HA H 4.912 0.018 1 378 244 41 PHE HB2 H 2.934 0.027 2 379 244 41 PHE HB3 H 2.812 0.018 2 380 244 41 PHE HD1 H 6.707 0.012 3 381 244 41 PHE HD2 H 6.707 0.012 3 382 244 41 PHE HE1 H 6.827 0.014 3 383 244 41 PHE HE2 H 6.827 0.014 3 384 244 41 PHE C C 176.599 0.061 1 385 244 41 PHE CA C 53.419 0.090 1 386 244 41 PHE CB C 38.367 0.104 1 387 244 41 PHE N N 118.379 0.124 1 388 245 42 SER H H 8.507 0.015 1 389 245 42 SER HA H 4.694 0.008 1 390 245 42 SER HB2 H 4.400 0.017 2 391 245 42 SER HB3 H 4.092 0.017 2 392 245 42 SER C C 179.449 0.000 1 393 245 42 SER CA C 56.382 0.054 1 394 245 42 SER CB C 62.474 0.082 1 395 245 42 SER N N 120.314 0.113 1 396 246 43 PRO HA H 4.237 0.012 1 397 246 43 PRO HB2 H 2.367 0.015 2 398 246 43 PRO HB3 H 1.885 0.018 2 399 246 43 PRO HG2 H 2.196 0.013 2 400 246 43 PRO HG3 H 1.982 0.010 2 401 246 43 PRO HD2 H 3.916 0.011 2 402 246 43 PRO HD3 H 3.916 0.011 2 403 246 43 PRO C C 175.720 1.403 1 404 246 43 PRO CA C 66.068 0.038 1 405 246 43 PRO CB C 31.676 0.128 1 406 246 43 PRO CD C 50.560 0.046 1 407 247 44 GLU H H 8.670 0.011 1 408 247 44 GLU HA H 3.947 0.014 1 409 247 44 GLU HB2 H 2.000 0.020 2 410 247 44 GLU HB3 H 1.883 0.012 2 411 247 44 GLU HG2 H 2.418 0.011 2 412 247 44 GLU HG3 H 2.215 0.011 2 413 247 44 GLU C C 174.525 0.049 1 414 247 44 GLU CA C 60.126 0.068 1 415 247 44 GLU CB C 28.702 0.107 1 416 247 44 GLU CG C 37.011 0.066 1 417 247 44 GLU N N 116.661 0.093 1 418 248 45 LEU H H 7.775 0.009 1 419 248 45 LEU HA H 4.034 0.007 1 420 248 45 LEU HB2 H 1.559 0.022 2 421 248 45 LEU HB3 H 1.397 0.012 2 422 248 45 LEU HG H 0.723 0.025 1 423 248 45 LEU HD1 H 0.470 0.013 2 424 248 45 LEU HD2 H 0.154 0.016 2 425 248 45 LEU C C 175.452 0.045 1 426 248 45 LEU CA C 57.924 0.097 1 427 248 45 LEU CB C 41.611 0.089 1 428 248 45 LEU CG C 26.782 0.111 1 429 248 45 LEU CD1 C 24.803 0.158 2 430 248 45 LEU CD2 C 26.866 0.038 2 431 248 45 LEU N N 123.718 0.107 1 432 249 46 THR H H 8.117 0.009 1 433 249 46 THR HA H 4.284 0.017 1 434 249 46 THR HB H 3.458 0.008 1 435 249 46 THR HG2 H 1.044 0.017 1 436 249 46 THR C C 178.469 0.000 1 437 249 46 THR CA C 68.032 0.004 1 438 249 46 THR CB C 67.965 0.068 1 439 249 46 THR CG2 C 21.892 0.006 1 440 249 46 THR N N 115.509 0.108 1 441 250 47 VAL H H 7.192 0.005 1 442 250 47 VAL HA H 3.495 0.019 1 443 250 47 VAL HB H 2.046 0.015 1 444 250 47 VAL HG1 H 1.033 0.016 2 445 250 47 VAL HG2 H 0.894 0.012 2 446 250 47 VAL C C 175.032 0.037 1 447 250 47 VAL CA C 66.232 0.068 1 448 250 47 VAL CB C 31.938 0.125 1 449 250 47 VAL CG1 C 22.523 0.124 2 450 250 47 VAL CG2 C 21.183 0.032 2 451 250 47 VAL N N 117.059 0.041 1 452 251 48 ARG H H 7.274 0.010 1 453 251 48 ARG HA H 4.032 0.009 1 454 251 48 ARG HB2 H 1.994 0.021 2 455 251 48 ARG HB3 H 1.798 0.013 2 456 251 48 ARG HG2 H 1.761 0.009 2 457 251 48 ARG HG3 H 1.627 0.011 2 458 251 48 ARG HD2 H 3.223 0.013 2 459 251 48 ARG HD3 H 3.162 0.012 2 460 251 48 ARG C C 173.623 0.042 1 461 251 48 ARG CA C 59.080 0.150 1 462 251 48 ARG CB C 29.660 0.131 1 463 251 48 ARG CG C 27.643 0.111 1 464 251 48 ARG CD C 42.551 0.066 1 465 251 48 ARG N N 119.052 0.157 1 466 252 49 VAL H H 8.594 0.009 1 467 252 49 VAL HA H 3.788 0.014 1 468 252 49 VAL HB H 1.991 0.017 1 469 252 49 VAL HG1 H 0.644 0.012 2 470 252 49 VAL HG2 H 0.663 0.006 2 471 252 49 VAL C C 175.012 0.032 1 472 252 49 VAL CA C 65.351 0.076 1 473 252 49 VAL CB C 31.125 0.136 1 474 252 49 VAL CG1 C 21.184 0.073 2 475 252 49 VAL CG2 C 21.837 0.043 2 476 252 49 VAL N N 115.485 0.106 1 477 253 50 LYS H H 7.561 0.007 1 478 253 50 LYS HA H 4.053 0.012 1 479 253 50 LYS HB2 H 1.905 0.015 2 480 253 50 LYS HB3 H 1.708 0.017 2 481 253 50 LYS HG2 H 1.737 0.004 2 482 253 50 LYS HG3 H 1.431 0.018 2 483 253 50 LYS HD2 H 1.589 0.007 2 484 253 50 LYS HD3 H 1.589 0.007 2 485 253 50 LYS HE2 H 2.776 0.009 2 486 253 50 LYS HE3 H 2.776 0.009 2 487 253 50 LYS C C 176.505 0.055 1 488 253 50 LYS CA C 58.822 0.056 1 489 253 50 LYS CB C 32.331 0.111 1 490 253 50 LYS CG C 26.325 0.081 1 491 253 50 LYS CD C 29.447 0.087 1 492 253 50 LYS CE C 41.355 0.016 1 493 253 50 LYS N N 118.099 0.069 1 494 254 51 ALA H H 7.312 0.008 1 495 254 51 ALA HA H 4.564 0.013 1 496 254 51 ALA HB H 1.476 0.011 1 497 254 51 ALA C C 177.019 0.026 1 498 254 51 ALA CA C 51.498 0.067 1 499 254 51 ALA CB C 19.538 0.041 1 500 254 51 ALA N N 119.885 0.069 1 501 255 52 LEU H H 7.573 0.008 1 502 255 52 LEU HA H 4.700 0.012 1 503 255 52 LEU HB2 H 1.766 0.016 2 504 255 52 LEU HB3 H 1.601 0.013 2 505 255 52 LEU HG H 1.959 0.010 1 506 255 52 LEU HD1 H 0.887 0.010 2 507 255 52 LEU C C 177.988 0.000 1 508 255 52 LEU CA C 53.270 0.046 1 509 255 52 LEU CB C 44.412 0.081 1 510 255 52 LEU CD1 C 23.719 0.043 2 511 255 52 LEU CD2 C 23.719 0.043 2 512 255 52 LEU N N 119.729 0.037 1 513 256 53 ARG HA H 4.452 0.015 1 514 256 53 ARG HB2 H 1.540 0.006 2 515 256 53 ARG HB3 H 1.540 0.006 2 516 256 53 ARG HG2 H 1.343 0.022 2 517 256 53 ARG HG3 H 1.343 0.022 2 518 256 53 ARG HD2 H 3.081 0.013 2 519 256 53 ARG HD3 H 3.081 0.013 2 520 256 53 ARG C C 178.852 0.000 1 521 256 53 ARG CA C 55.286 0.036 1 522 256 53 ARG CB C 28.297 0.264 1 523 257 54 TRP H H 8.516 0.013 1 524 257 54 TRP HA H 4.428 0.015 1 525 257 54 TRP HB2 H 3.219 0.012 2 526 257 54 TRP HB3 H 3.064 0.020 2 527 257 54 TRP HD1 H 7.402 0.009 1 528 257 54 TRP HE1 H 11.516 0.006 1 529 257 54 TRP HE3 H 7.088 0.005 1 530 257 54 TRP HZ2 H 7.516 0.009 1 531 257 54 TRP HZ3 H 6.684 0.012 1 532 257 54 TRP HH2 H 6.893 0.006 1 533 257 54 TRP C C 179.085 0.045 1 534 257 54 TRP CA C 59.359 0.071 1 535 257 54 TRP CB C 29.381 0.060 1 536 257 54 TRP N N 131.839 0.188 1 537 257 54 TRP NE1 N 131.742 0.069 1 538 258 55 GLN H H 7.617 0.018 1 539 258 55 GLN HA H 5.153 0.020 1 540 258 55 GLN HB2 H 2.045 0.018 2 541 258 55 GLN HB3 H 2.045 0.018 2 542 258 55 GLN HG2 H 2.206 0.015 2 543 258 55 GLN HG3 H 2.206 0.015 2 544 258 55 GLN C C 180.123 0.072 1 545 258 55 GLN CA C 52.232 0.126 1 546 258 55 GLN CB C 33.268 0.288 1 547 258 55 GLN N N 124.273 0.080 1 548 259 56 CYS H H 8.867 0.008 1 549 259 56 CYS HA H 3.856 0.016 1 550 259 56 CYS HB2 H 3.379 0.010 2 551 259 56 CYS HB3 H 2.536 0.015 2 552 259 56 CYS C C 177.759 0.048 1 553 259 56 CYS CA C 57.285 0.050 1 554 259 56 CYS CB C 30.907 0.140 1 555 259 56 CYS N N 121.865 0.095 1 556 260 57 ILE H H 8.394 0.010 1 557 260 57 ILE HA H 3.658 0.018 1 558 260 57 ILE HB H 1.831 0.013 1 559 260 57 ILE HG12 H 1.388 0.012 2 560 260 57 ILE HG13 H 1.171 0.013 2 561 260 57 ILE HG2 H 0.911 0.011 1 562 260 57 ILE HD1 H 0.732 0.012 1 563 260 57 ILE C C 177.086 0.055 1 564 260 57 ILE CA C 63.631 0.051 1 565 260 57 ILE CB C 38.314 0.135 1 566 260 57 ILE CG1 C 28.985 0.083 1 567 260 57 ILE CG2 C 17.765 0.054 1 568 260 57 ILE CD1 C 14.034 0.116 1 569 260 57 ILE N N 116.777 0.057 1 570 261 58 GLU H H 8.004 0.009 1 571 261 58 GLU HA H 4.091 0.015 1 572 261 58 GLU HB2 H 2.027 0.012 2 573 261 58 GLU HB3 H 2.027 0.012 2 574 261 58 GLU HG2 H 2.281 0.023 2 575 261 58 GLU HG3 H 2.281 0.023 2 576 261 58 GLU C C 175.124 0.040 1 577 261 58 GLU CA C 58.624 0.063 1 578 261 58 GLU CB C 29.914 0.098 1 579 261 58 GLU CG C 36.926 0.060 1 580 261 58 GLU N N 120.777 0.108 1 581 262 59 CYS H H 7.709 0.009 1 582 262 59 CYS HA H 3.894 0.011 1 583 262 59 CYS HB2 H 3.024 0.012 2 584 262 59 CYS HB3 H 2.491 0.020 2 585 262 59 CYS C C 178.151 0.054 1 586 262 59 CYS CA C 61.122 0.085 1 587 262 59 CYS CB C 31.166 0.134 1 588 262 59 CYS N N 121.331 0.067 1 589 263 60 LYS H H 7.389 0.007 1 590 263 60 LYS HA H 3.388 0.014 1 591 263 60 LYS HB2 H 1.616 0.017 2 592 263 60 LYS HB3 H 1.616 0.017 2 593 263 60 LYS HG2 H 1.325 0.018 2 594 263 60 LYS HG3 H 1.325 0.018 2 595 263 60 LYS HD2 H 1.667 0.017 2 596 263 60 LYS HD3 H 1.667 0.017 2 597 263 60 LYS HE2 H 2.816 0.014 2 598 263 60 LYS HE3 H 2.816 0.014 2 599 263 60 LYS C C 177.499 0.018 1 600 263 60 LYS CA C 57.211 0.112 1 601 263 60 LYS CB C 31.819 0.166 1 602 263 60 LYS CG C 23.618 0.146 1 603 263 60 LYS N N 118.419 0.068 1 604 264 61 THR H H 7.894 0.011 1 605 264 61 THR HA H 4.389 0.012 1 606 264 61 THR HB H 3.922 0.010 1 607 264 61 THR HG2 H 1.074 0.009 1 608 264 61 THR C C 180.560 0.080 1 609 264 61 THR CA C 58.624 0.082 1 610 264 61 THR CB C 71.649 0.062 1 611 264 61 THR CG2 C 22.021 0.052 1 612 264 61 THR N N 117.564 0.099 1 613 265 62 CYS H H 8.658 0.012 1 614 265 62 CYS HA H 3.909 0.015 1 615 265 62 CYS HB2 H 3.080 0.016 2 616 265 62 CYS HB3 H 3.080 0.016 2 617 265 62 CYS C C 175.325 0.033 1 618 265 62 CYS CA C 58.449 0.186 1 619 265 62 CYS CB C 30.989 0.132 1 620 265 62 CYS N N 125.216 0.091 1 621 266 63 SER H H 8.606 0.007 1 622 266 63 SER HA H 4.088 0.012 1 623 266 63 SER HB2 H 3.628 0.010 2 624 266 63 SER HB3 H 2.817 0.015 2 625 266 63 SER C C 179.926 0.000 1 626 266 63 SER CA C 62.317 0.144 1 627 266 63 SER CB C 64.532 0.198 1 628 266 63 SER N N 125.110 0.055 1 629 267 64 SER H H 8.711 0.008 1 630 267 64 SER HA H 4.789 0.016 1 631 267 64 SER HB2 H 4.140 0.011 2 632 267 64 SER HB3 H 3.990 0.014 2 633 267 64 SER C C 178.673 0.000 1 634 267 64 SER CA C 59.413 0.146 1 635 267 64 SER CB C 64.262 0.063 1 636 267 64 SER N N 117.213 0.084 1 637 268 65 CYS H H 8.218 0.008 1 638 268 65 CYS HA H 4.379 0.000 1 639 268 65 CYS HB2 H 3.159 0.000 2 640 268 65 CYS HB3 H 3.159 0.000 2 641 268 65 CYS CA C 59.273 0.000 1 642 268 65 CYS CB C 30.931 0.052 1 643 268 65 CYS N N 119.141 0.055 1 644 269 66 ARG H H 7.933 0.014 1 645 269 66 ARG HA H 4.103 0.012 1 646 269 66 ARG HB2 H 1.981 0.013 2 647 269 66 ARG HB3 H 1.981 0.013 2 648 269 66 ARG HG2 H 1.488 0.015 2 649 269 66 ARG HG3 H 1.488 0.015 2 650 269 66 ARG HD2 H 3.110 0.014 2 651 269 66 ARG HD3 H 3.110 0.014 2 652 269 66 ARG C C 178.452 0.000 1 653 269 66 ARG CA C 56.760 0.041 1 654 269 66 ARG CB C 27.905 0.182 1 655 269 66 ARG CD C 43.130 0.041 1 656 269 66 ARG N N 120.652 0.001 1 657 270 67 ASP H H 8.327 0.008 1 658 270 67 ASP HA H 4.778 0.013 1 659 270 67 ASP HB2 H 3.015 0.010 2 660 270 67 ASP HB3 H 2.675 0.020 2 661 270 67 ASP C C 176.416 0.091 1 662 270 67 ASP CA C 54.013 0.092 1 663 270 67 ASP CB C 42.466 0.092 1 664 270 67 ASP N N 120.976 0.103 1 665 271 68 GLN H H 8.799 0.011 1 666 271 68 GLN HA H 4.241 0.012 1 667 271 68 GLN HB2 H 2.164 0.013 2 668 271 68 GLN HB3 H 1.977 0.017 2 669 271 68 GLN HG2 H 2.371 0.010 2 670 271 68 GLN HG3 H 2.371 0.010 2 671 271 68 GLN HE21 H 7.435 0.003 2 672 271 68 GLN HE22 H 6.798 0.005 2 673 271 68 GLN C C 176.734 0.038 1 674 271 68 GLN CA C 56.684 0.042 1 675 271 68 GLN CB C 29.126 0.041 1 676 271 68 GLN CG C 34.230 0.017 1 677 271 68 GLN N N 123.917 0.115 1 678 271 68 GLN NE2 N 112.563 0.056 1 679 272 69 GLY H H 8.668 0.010 1 680 272 69 GLY HA2 H 3.985 0.010 2 681 272 69 GLY HA3 H 3.755 0.018 2 682 272 69 GLY C C 179.239 0.047 1 683 272 69 GLY CA C 45.611 0.101 1 684 272 69 GLY N N 108.773 0.173 1 685 273 70 LYS H H 7.737 0.006 1 686 273 70 LYS HA H 4.752 0.007 1 687 273 70 LYS C C 177.129 0.000 1 688 273 70 LYS CA C 55.910 0.000 1 689 273 70 LYS CB C 32.762 0.000 1 690 273 70 LYS N N 120.537 0.062 1 691 274 71 ASN HA H 4.554 0.020 1 692 274 71 ASN HB2 H 2.834 0.012 2 693 274 71 ASN HB3 H 2.834 0.012 2 694 274 71 ASN HD21 H 7.579 0.004 2 695 274 71 ASN HD22 H 6.847 0.002 2 696 274 71 ASN C C 178.244 0.000 1 697 274 71 ASN CA C 53.598 0.145 1 698 274 71 ASN CB C 38.361 0.070 1 699 274 71 ASN ND2 N 112.233 0.064 1 700 275 72 ALA H H 8.436 0.012 1 701 275 72 ALA HA H 4.346 0.011 1 702 275 72 ALA HB H 1.399 0.011 1 703 275 72 ALA C C 175.867 0.046 1 704 275 72 ALA CA C 52.631 0.081 1 705 275 72 ALA CB C 18.932 0.084 1 706 275 72 ALA N N 125.026 0.079 1 707 276 73 ASP H H 8.329 0.009 1 708 276 73 ASP HA H 4.486 0.019 1 709 276 73 ASP HB2 H 2.645 0.013 2 710 276 73 ASP HB3 H 2.645 0.013 2 711 276 73 ASP C C 177.148 0.028 1 712 276 73 ASP CA C 55.237 0.105 1 713 276 73 ASP CB C 40.461 0.103 1 714 276 73 ASP N N 119.041 0.052 1 715 277 74 ASN H H 8.300 0.011 1 716 277 74 ASN HA H 4.708 0.024 1 717 277 74 ASN HB2 H 2.890 0.011 2 718 277 74 ASN HB3 H 2.890 0.011 2 719 277 74 ASN HD21 H 7.905 0.006 2 720 277 74 ASN HD22 H 6.912 0.003 2 721 277 74 ASN C C 179.306 0.050 1 722 277 74 ASN CA C 52.664 0.070 1 723 277 74 ASN CB C 38.477 0.103 1 724 277 74 ASN N N 116.150 0.083 1 725 277 74 ASN ND2 N 113.301 0.103 1 726 278 75 MET H H 7.618 0.007 1 727 278 75 MET HA H 4.386 0.014 1 728 278 75 MET HB2 H 1.634 0.017 2 729 278 75 MET HB3 H 1.474 0.022 2 730 278 75 MET HG2 H 1.903 0.018 2 731 278 75 MET HG3 H 1.903 0.018 2 732 278 75 MET HE H 1.704 0.000 1 733 278 75 MET C C 179.724 0.046 1 734 278 75 MET CA C 55.470 0.076 1 735 278 75 MET CB C 34.682 0.126 1 736 278 75 MET N N 119.303 0.091 1 737 279 76 LEU H H 8.360 0.007 1 738 279 76 LEU HA H 4.102 0.017 1 739 279 76 LEU HB2 H 0.916 0.018 2 740 279 76 LEU HB3 H 0.651 0.024 2 741 279 76 LEU HD1 H 0.092 0.016 2 742 279 76 LEU HD2 H -0.100 0.016 2 743 279 76 LEU C C 178.970 0.026 1 744 279 76 LEU CA C 53.491 0.074 1 745 279 76 LEU CB C 43.629 0.099 1 746 279 76 LEU CD1 C 24.659 0.019 2 747 279 76 LEU CD2 C 25.882 0.024 2 748 279 76 LEU N N 125.212 0.115 1 749 280 77 PHE H H 8.196 0.010 1 750 280 77 PHE HA H 5.669 0.018 1 751 280 77 PHE HB2 H 2.939 0.020 2 752 280 77 PHE HB3 H 2.939 0.020 2 753 280 77 PHE HD1 H 7.117 0.017 3 754 280 77 PHE HD2 H 7.117 0.017 3 755 280 77 PHE HE1 H 7.258 0.020 3 756 280 77 PHE HE2 H 7.258 0.020 3 757 280 77 PHE C C 177.956 0.036 1 758 280 77 PHE CA C 55.228 0.071 1 759 280 77 PHE CB C 40.577 0.061 1 760 280 77 PHE N N 117.908 0.066 1 761 281 78 CYS H H 9.346 0.009 1 762 281 78 CYS HA H 4.776 0.019 1 763 281 78 CYS HB2 H 2.876 0.017 2 764 281 78 CYS HB3 H 2.876 0.017 2 765 281 78 CYS C C 174.789 0.052 1 766 281 78 CYS CA C 59.909 0.059 1 767 281 78 CYS CB C 31.958 0.097 1 768 281 78 CYS N N 125.155 0.105 1 769 282 79 ASP H H 9.475 0.008 1 770 282 79 ASP HA H 4.620 0.019 1 771 282 79 ASP HB2 H 2.672 0.015 2 772 282 79 ASP HB3 H 2.672 0.015 2 773 282 79 ASP C C 178.276 0.036 1 774 282 79 ASP CA C 57.913 0.047 1 775 282 79 ASP CB C 42.929 0.112 1 776 282 79 ASP N N 131.735 0.156 1 777 283 80 SER H H 9.715 0.007 1 778 283 80 SER HA H 4.612 0.013 1 779 283 80 SER HB2 H 4.043 0.013 2 780 283 80 SER HB3 H 3.803 0.015 2 781 283 80 SER C C 178.316 0.000 1 782 283 80 SER CA C 59.403 0.107 1 783 283 80 SER CB C 63.466 0.050 1 784 283 80 SER N N 116.429 0.058 1 785 284 81 CYS H H 8.070 0.008 1 786 284 81 CYS HA H 4.647 0.019 1 787 284 81 CYS HB2 H 3.046 0.007 2 788 284 81 CYS HB3 H 2.265 0.016 2 789 284 81 CYS C C 179.797 0.037 1 790 284 81 CYS CA C 58.682 0.168 1 791 284 81 CYS CB C 33.336 0.094 1 792 284 81 CYS N N 118.698 0.086 1 793 285 82 ASP H H 8.112 0.008 1 794 285 82 ASP HA H 4.755 0.011 1 795 285 82 ASP HB2 H 3.113 0.016 2 796 285 82 ASP HB3 H 2.136 0.018 2 797 285 82 ASP C C 178.127 0.030 1 798 285 82 ASP CA C 57.283 0.057 1 799 285 82 ASP CB C 45.137 0.089 1 800 285 82 ASP N N 120.561 0.094 1 801 286 83 ARG H H 8.916 0.007 1 802 286 83 ARG HA H 4.041 0.007 1 803 286 83 ARG HB2 H 1.878 0.001 2 804 286 83 ARG HB3 H 1.878 0.001 2 805 286 83 ARG HG2 H 1.537 0.000 2 806 286 83 ARG HG3 H 1.537 0.000 2 807 286 83 ARG C C 177.351 0.030 1 808 286 83 ARG CA C 58.666 0.165 1 809 286 83 ARG CB C 31.591 0.135 1 810 286 83 ARG N N 119.824 0.157 1 811 287 84 GLY H H 9.056 0.009 1 812 287 84 GLY HA2 H 5.379 0.019 2 813 287 84 GLY HA3 H 2.892 0.010 2 814 287 84 GLY C C 181.046 0.057 1 815 287 84 GLY CA C 44.108 0.063 1 816 287 84 GLY N N 106.136 0.202 1 817 288 85 PHE H H 8.705 0.005 1 818 288 85 PHE HA H 5.474 0.018 1 819 288 85 PHE HB2 H 2.863 0.017 2 820 288 85 PHE HB3 H 2.453 0.020 2 821 288 85 PHE HD1 H 7.180 0.011 3 822 288 85 PHE HD2 H 7.180 0.011 3 823 288 85 PHE HE1 H 7.226 0.017 3 824 288 85 PHE HE2 H 7.226 0.017 3 825 288 85 PHE C C 177.169 0.003 1 826 288 85 PHE CA C 56.048 0.056 1 827 288 85 PHE CB C 44.719 0.100 1 828 288 85 PHE N N 119.000 0.068 1 829 289 86 HIS H H 8.755 0.008 1 830 289 86 HIS HA H 4.661 0.018 1 831 289 86 HIS HB2 H 3.906 0.021 2 832 289 86 HIS HB3 H 3.465 0.015 2 833 289 86 HIS HD2 H 7.154 0.013 1 834 289 86 HIS HE1 H 7.618 0.006 1 835 289 86 HIS C C 175.027 0.039 1 836 289 86 HIS CA C 58.441 0.043 1 837 289 86 HIS CB C 30.009 0.075 1 838 289 86 HIS N N 122.062 0.097 1 839 290 87 MET H H 8.946 0.009 1 840 290 87 MET HA H 3.849 0.013 1 841 290 87 MET HB2 H 2.164 0.013 2 842 290 87 MET HB3 H 1.946 0.014 2 843 290 87 MET HG2 H 2.511 0.018 2 844 290 87 MET HG3 H 2.511 0.018 2 845 290 87 MET HE H 1.429 0.013 1 846 290 87 MET C C 174.913 0.036 1 847 290 87 MET CA C 61.039 0.056 1 848 290 87 MET CB C 32.635 0.112 1 849 290 87 MET CG C 32.581 0.039 1 850 290 87 MET N N 124.713 0.088 1 851 291 88 GLU H H 9.868 0.010 1 852 291 88 GLU HA H 4.237 0.014 1 853 291 88 GLU HB2 H 2.105 0.015 2 854 291 88 GLU HB3 H 2.105 0.015 2 855 291 88 GLU HG2 H 2.484 0.022 2 856 291 88 GLU HG3 H 2.354 0.012 2 857 291 88 GLU C C 176.818 0.003 1 858 291 88 GLU CA C 58.340 0.070 1 859 291 88 GLU CB C 28.537 0.210 1 860 291 88 GLU CG C 36.431 0.106 1 861 291 88 GLU N N 115.775 0.093 1 862 292 89 CYS H H 7.795 0.008 1 863 292 89 CYS HA H 4.378 0.003 1 864 292 89 CYS HB2 H 3.448 0.012 2 865 292 89 CYS HB3 H 3.107 0.016 2 866 292 89 CYS C C 177.626 0.005 1 867 292 89 CYS CA C 60.264 0.060 1 868 292 89 CYS CB C 30.836 0.141 1 869 292 89 CYS N N 118.568 0.099 1 870 293 90 CYS H H 6.903 0.007 1 871 293 90 CYS HA H 4.213 0.013 1 872 293 90 CYS HB2 H 3.009 0.015 2 873 293 90 CYS HB3 H 2.732 0.010 2 874 293 90 CYS C C 181.398 0.040 1 875 293 90 CYS CA C 61.151 0.103 1 876 293 90 CYS CB C 29.148 0.042 1 877 293 90 CYS N N 119.120 0.033 1 878 294 91 ASP H H 7.886 0.014 1 879 294 91 ASP HA H 4.904 0.013 1 880 294 91 ASP HB2 H 2.658 0.008 2 881 294 91 ASP HB3 H 2.384 0.008 2 882 294 91 ASP CA C 50.151 0.049 1 883 294 91 ASP CB C 43.224 0.054 1 884 294 91 ASP N N 119.087 0.035 1 885 295 92 PRO HA H 5.148 0.010 1 886 295 92 PRO HB2 H 2.400 0.014 2 887 295 92 PRO HB3 H 2.400 0.014 2 888 295 92 PRO HG2 H 2.030 0.000 2 889 295 92 PRO HG3 H 2.030 0.000 2 890 295 92 PRO HD2 H 3.819 0.011 2 891 295 92 PRO HD3 H 3.819 0.011 2 892 295 92 PRO CA C 62.306 0.034 1 893 295 92 PRO CB C 32.939 0.043 1 894 295 92 PRO CD C 50.169 0.072 1 895 296 93 PRO HA H 4.203 0.017 1 896 296 93 PRO HB2 H 2.223 0.015 2 897 296 93 PRO HB3 H 1.747 0.016 2 898 296 93 PRO HG2 H 2.036 0.013 2 899 296 93 PRO HG3 H 2.036 0.013 2 900 296 93 PRO HD2 H 3.591 0.026 2 901 296 93 PRO HD3 H 3.591 0.026 2 902 296 93 PRO C C 176.442 0.000 1 903 296 93 PRO CA C 63.385 0.058 1 904 296 93 PRO CB C 32.020 0.113 1 905 296 93 PRO CG C 27.934 0.148 1 906 296 93 PRO CD C 50.171 0.122 1 907 297 94 LEU H H 7.748 0.008 1 908 297 94 LEU HA H 4.633 0.013 1 909 297 94 LEU HB2 H 1.490 0.017 2 910 297 94 LEU HB3 H 1.450 0.009 2 911 297 94 LEU HG H 1.742 0.013 1 912 297 94 LEU HD1 H 0.866 0.014 2 913 297 94 LEU HD2 H 0.733 0.011 2 914 297 94 LEU C C 176.489 0.000 1 915 297 94 LEU CA C 53.747 0.026 1 916 297 94 LEU CB C 44.388 0.074 1 917 297 94 LEU CG C 27.402 0.111 1 918 297 94 LEU CD1 C 23.562 0.038 2 919 297 94 LEU CD2 C 26.586 0.032 2 920 297 94 LEU N N 122.426 0.058 1 921 298 95 THR HA H 4.311 0.019 1 922 298 95 THR HB H 4.302 0.010 1 923 298 95 THR HG2 H 1.103 0.012 1 924 298 95 THR C C 179.279 0.000 1 925 298 95 THR CA C 61.422 0.049 1 926 298 95 THR CB C 69.485 0.041 1 927 298 95 THR CG2 C 21.633 0.152 1 928 299 96 ARG H H 7.386 0.009 1 929 299 96 ARG HA H 4.409 0.013 1 930 299 96 ARG HB2 H 1.755 0.013 2 931 299 96 ARG HB3 H 1.628 0.009 2 932 299 96 ARG HG2 H 1.478 0.018 2 933 299 96 ARG HG3 H 1.478 0.018 2 934 299 96 ARG HD2 H 3.142 0.021 2 935 299 96 ARG HD3 H 3.142 0.021 2 936 299 96 ARG C C 178.617 0.051 1 937 299 96 ARG CA C 54.247 0.113 1 938 299 96 ARG CB C 32.795 0.093 1 939 299 96 ARG CG C 26.131 0.090 1 940 299 96 ARG CD C 43.221 0.055 1 941 299 96 ARG N N 119.963 0.042 1 942 300 97 MET H H 8.747 0.010 1 943 300 97 MET HA H 4.425 0.008 1 944 300 97 MET HB2 H 1.938 0.007 2 945 300 97 MET HB3 H 1.938 0.007 2 946 300 97 MET HG2 H 2.614 0.002 2 947 300 97 MET HG3 H 2.566 0.002 2 948 300 97 MET C C 178.876 0.000 1 949 300 97 MET CA C 53.493 0.079 1 950 300 97 MET CB C 31.377 0.123 1 951 300 97 MET N N 123.915 0.072 1 952 301 98 PRO HA H 4.413 0.012 1 953 301 98 PRO HB2 H 2.233 0.008 2 954 301 98 PRO HB3 H 1.725 0.012 2 955 301 98 PRO HG2 H 1.957 0.008 2 956 301 98 PRO HG3 H 1.957 0.008 2 957 301 98 PRO HD2 H 3.769 0.013 2 958 301 98 PRO HD3 H 3.632 0.015 2 959 301 98 PRO C C 177.053 0.000 1 960 301 98 PRO CA C 62.852 0.071 1 961 301 98 PRO CB C 32.085 0.064 1 962 301 98 PRO CG C 27.255 0.129 1 963 301 98 PRO CD C 50.671 0.107 1 964 302 99 LYS H H 8.439 0.022 1 965 302 99 LYS HA H 4.403 0.016 1 966 302 99 LYS HB2 H 1.781 0.023 2 967 302 99 LYS HB3 H 1.781 0.023 2 968 302 99 LYS HG2 H 1.405 0.014 2 969 302 99 LYS HG3 H 1.405 0.014 2 970 302 99 LYS HD2 H 1.664 0.014 2 971 302 99 LYS HD3 H 1.664 0.014 2 972 302 99 LYS HE2 H 2.957 0.013 2 973 302 99 LYS HE3 H 2.957 0.013 2 974 302 99 LYS C C 176.428 0.000 1 975 302 99 LYS CA C 55.624 0.059 1 976 302 99 LYS CB C 32.934 0.136 1 977 302 99 LYS CG C 24.729 0.119 1 978 302 99 LYS CD C 28.900 0.061 1 979 302 99 LYS CE C 41.968 0.149 1 980 302 99 LYS N N 121.496 0.102 1 981 303 100 GLY H H 8.246 0.013 1 982 303 100 GLY HA2 H 3.974 0.017 2 983 303 100 GLY HA3 H 3.974 0.017 2 984 303 100 GLY C C 180.490 0.047 1 985 303 100 GLY CA C 44.422 0.049 1 986 303 100 GLY N N 110.749 0.168 1 987 304 101 MET H H 8.264 0.015 1 988 304 101 MET HA H 4.424 0.018 1 989 304 101 MET HB2 H 2.025 0.011 2 990 304 101 MET HB3 H 1.953 0.009 2 991 304 101 MET HG2 H 2.580 0.020 2 992 304 101 MET HG3 H 2.462 0.012 2 993 304 101 MET C C 177.863 0.048 1 994 304 101 MET CA C 56.367 0.045 1 995 304 101 MET CB C 33.525 0.126 1 996 304 101 MET CG C 31.859 0.140 1 997 304 101 MET N N 120.938 0.065 1 998 305 102 TRP H H 9.555 0.008 1 999 305 102 TRP HA H 4.562 0.015 1 1000 305 102 TRP HB2 H 3.329 0.016 2 1001 305 102 TRP HB3 H 2.893 0.010 2 1002 305 102 TRP HD1 H 7.213 0.012 1 1003 305 102 TRP HE1 H 9.666 0.002 1 1004 305 102 TRP HE3 H 7.305 0.014 1 1005 305 102 TRP HZ3 H 6.680 0.008 1 1006 305 102 TRP HH2 H 6.371 0.003 1 1007 305 102 TRP C C 180.941 0.040 1 1008 305 102 TRP CA C 59.611 0.068 1 1009 305 102 TRP CB C 30.463 0.135 1 1010 305 102 TRP N N 128.836 0.131 1 1011 305 102 TRP NE1 N 128.289 0.070 1 1012 306 103 ILE H H 6.871 0.009 1 1013 306 103 ILE HA H 4.768 0.014 1 1014 306 103 ILE HB H 1.287 0.023 1 1015 306 103 ILE HG12 H 1.017 0.014 2 1016 306 103 ILE HG13 H 1.017 0.014 2 1017 306 103 ILE HG2 H 0.740 0.016 1 1018 306 103 ILE HD1 H 0.698 0.008 1 1019 306 103 ILE C C 178.370 0.046 1 1020 306 103 ILE CA C 57.668 0.075 1 1021 306 103 ILE CB C 39.435 0.114 1 1022 306 103 ILE CG1 C 27.163 0.148 1 1023 306 103 ILE CG2 C 18.811 0.067 1 1024 306 103 ILE CD1 C 12.446 0.055 1 1025 306 103 ILE N N 126.194 0.127 1 1026 307 104 CYS H H 9.208 0.008 1 1027 307 104 CYS HA H 3.361 0.012 1 1028 307 104 CYS HB2 H 2.725 0.016 2 1029 307 104 CYS HB3 H 2.340 0.015 2 1030 307 104 CYS C C 178.670 0.064 1 1031 307 104 CYS CA C 57.976 0.040 1 1032 307 104 CYS CB C 34.859 0.144 1 1033 307 104 CYS N N 132.227 0.199 1 1034 308 105 GLN H H 7.881 0.009 1 1035 308 105 GLN HA H 3.946 0.016 1 1036 308 105 GLN HB2 H 2.130 0.033 1 1037 308 105 GLN HB3 H 2.130 0.033 1 1038 308 105 GLN HG2 H 2.410 0.021 2 1039 308 105 GLN HG3 H 2.410 0.021 2 1040 308 105 GLN HE21 H 7.750 0.005 2 1041 308 105 GLN HE22 H 6.921 0.003 2 1042 308 105 GLN C C 177.272 0.028 1 1043 308 105 GLN CA C 56.675 0.072 1 1044 308 105 GLN CB C 27.957 0.069 1 1045 308 105 GLN CG C 32.889 0.032 1 1046 308 105 GLN N N 113.729 0.130 1 1047 308 105 GLN NE2 N 113.221 0.037 1 1048 309 106 ILE H H 8.785 0.008 1 1049 309 106 ILE HA H 3.832 0.012 1 1050 309 106 ILE HB H 2.195 0.009 1 1051 309 106 ILE HG12 H 1.207 0.013 2 1052 309 106 ILE HG13 H 1.207 0.013 2 1053 309 106 ILE HG2 H 0.869 0.011 1 1054 309 106 ILE HD1 H 0.980 0.017 1 1055 309 106 ILE C C 175.190 0.000 1 1056 309 106 ILE CA C 64.170 0.069 1 1057 309 106 ILE CB C 37.521 0.111 1 1058 309 106 ILE CG1 C 27.082 0.000 1 1059 309 106 ILE CG2 C 17.398 0.050 1 1060 309 106 ILE CD1 C 12.279 0.072 1 1061 309 106 ILE N N 124.882 0.091 1 1062 310 107 CYS H H 8.145 0.008 1 1063 310 107 CYS HA H 3.759 0.018 1 1064 310 107 CYS HB2 H 2.703 0.015 2 1065 310 107 CYS HB3 H 2.590 0.012 2 1066 310 107 CYS CA C 63.763 0.079 1 1067 310 107 CYS CB C 29.277 0.056 1 1068 310 107 CYS N N 124.112 0.113 1 1069 311 108 ARG H H 7.926 0.006 1 1070 311 108 ARG HA H 4.368 0.013 1 1071 311 108 ARG HB2 H 1.548 0.017 2 1072 311 108 ARG HB3 H 1.409 0.008 2 1073 311 108 ARG HG2 H 1.415 0.013 2 1074 311 108 ARG HG3 H 1.415 0.013 2 1075 311 108 ARG HD2 H 2.997 0.014 2 1076 311 108 ARG HD3 H 2.997 0.014 2 1077 311 108 ARG CA C 53.726 0.092 1 1078 311 108 ARG CB C 30.758 0.078 1 1079 311 108 ARG CG C 26.803 0.092 1 1080 311 108 ARG CD C 43.620 0.062 1 1081 311 108 ARG N N 119.148 0.038 1 1082 312 109 PRO HA H 4.479 0.021 1 1083 312 109 PRO HB2 H 2.286 0.018 2 1084 312 109 PRO HB3 H 1.840 0.017 2 1085 312 109 PRO HG2 H 1.934 0.022 2 1086 312 109 PRO HG3 H 1.934 0.022 2 1087 312 109 PRO HD2 H 3.414 0.020 2 1088 312 109 PRO HD3 H 3.414 0.020 2 1089 312 109 PRO C C 177.008 0.021 1 1090 312 109 PRO CA C 63.475 0.073 1 1091 312 109 PRO CB C 31.987 0.130 1 1092 312 109 PRO CG C 27.257 0.018 1 1093 312 109 PRO CD C 50.195 0.096 1 1094 313 110 ARG H H 8.135 0.015 1 1095 313 110 ARG HA H 4.060 0.009 1 1096 313 110 ARG HB2 H 1.841 0.008 2 1097 313 110 ARG HB3 H 1.841 0.008 2 1098 313 110 ARG HG2 H 1.667 0.017 2 1099 313 110 ARG HG3 H 1.667 0.017 2 1100 313 110 ARG HD2 H 3.156 0.010 2 1101 313 110 ARG HD3 H 3.156 0.010 2 1102 313 110 ARG C C 172.240 0.000 1 1103 313 110 ARG CA C 57.365 0.022 1 1104 313 110 ARG CB C 31.206 0.025 1 1105 313 110 ARG CD C 43.227 0.068 1 1106 313 110 ARG N N 126.853 0.125 1 stop_ save_