data_30705 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PHD of mouse UHRF1 (NP95) ; _BMRB_accession_number 30705 _BMRB_flat_file_name bmr30705.str _Entry_type original _Submission_date 2020-01-06 _Accession_date 2020-01-06 _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 Lemak A. . . 2 Houliston S. . . 3 Duan S. . . 4 Arrowsmith C. H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 440 "13C chemical shifts" 303 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-11 original BMRB . stop_ _Original_release_date 2020-05-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PHD of mouse UHRF1 (NP95) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lemak A. . . 2 Houliston S. . . 3 Duan S. . . 4 Arrowsmith C. H. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E3 ubiquitin-protein ligase UHRF1 (E.C.2.3.2.27)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 'ZN ion, 1' $entity_ZN 'ZN ion, 2' $entity_ZN 'ZN ion, 3' $entity_ZN stop_ _System_molecular_weight . _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 8693.900 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; SGPSCRFCKDDENKPCRKCA CHVCGGREAPEKQLLCDECD MAFHLYCLKPPLTSVPPEPE WYCPSCRTDSSEVVQAGE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 303 SER 2 304 GLY 3 305 PRO 4 306 SER 5 307 CYS 6 308 ARG 7 309 PHE 8 310 CYS 9 311 LYS 10 312 ASP 11 313 ASP 12 314 GLU 13 315 ASN 14 316 LYS 15 317 PRO 16 318 CYS 17 319 ARG 18 320 LYS 19 321 CYS 20 322 ALA 21 323 CYS 22 324 HIS 23 325 VAL 24 326 CYS 25 327 GLY 26 328 GLY 27 329 ARG 28 330 GLU 29 331 ALA 30 332 PRO 31 333 GLU 32 334 LYS 33 335 GLN 34 336 LEU 35 337 LEU 36 338 CYS 37 339 ASP 38 340 GLU 39 341 CYS 40 342 ASP 41 343 MET 42 344 ALA 43 345 PHE 44 346 HIS 45 347 LEU 46 348 TYR 47 349 CYS 48 350 LEU 49 351 LYS 50 352 PRO 51 353 PRO 52 354 LEU 53 355 THR 54 356 SER 55 357 VAL 56 358 PRO 57 359 PRO 58 360 GLU 59 361 PRO 60 362 GLU 61 363 TRP 62 364 TYR 63 365 CYS 64 366 PRO 65 367 SER 66 368 CYS 67 369 ARG 68 370 THR 69 371 ASP 70 372 SER 71 373 SER 72 374 GLU 73 375 VAL 74 376 VAL 75 377 GLN 76 378 ALA 77 379 GLY 78 380 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Uhrf1, Np95' 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 . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 200 uM [U-99% 13C; U-99% 15N] PHD, 5 mM DTT, 2 mM beta-mercaptoethanol, 5 mM TCEP, 150 mM sodium chloride, 50 mM sodium phosphate, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 200 uM '[U-99% 13C; U-99% 15N]' DTT 5 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' TCEP 5 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name ABACUS _Version . loop_ _Vendor _Address _Electronic_address 'Lemak and Arrowsmith' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.5 . pH pressure 1 . atm temperature 290 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TMS C 13 'methyl protons' ppm 0 external indirect . . . 0.2514 TMS H 1 'methyl protons' ppm 0 external direct . . . 1 TMS N 15 'methyl protons' ppm 0 external indirect . . . 0.10136 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_1 _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 1 303 1 SER H H 8.291 0.04 1 2 303 1 SER HA H 4.324 0.04 1 3 303 1 SER HB2 H 3.749 0.04 2 4 303 1 SER HB3 H 3.749 0.04 2 5 303 1 SER C C 171.563 0.40 1 6 303 1 SER CA C 55.597 0.40 1 7 303 1 SER CB C 61.055 0.40 1 8 303 1 SER N N 117.023 0.40 1 9 304 2 GLY H H 8.073 0.04 1 10 304 2 GLY HA2 H 3.969 0.04 2 11 304 2 GLY HA3 H 3.969 0.04 2 12 304 2 GLY CA C 41.738 0.40 1 13 304 2 GLY N N 110.544 0.40 1 14 305 3 PRO HA H 4.290 0.04 1 15 305 3 PRO HB2 H 1.620 0.04 2 16 305 3 PRO HB3 H 1.903 0.04 2 17 305 3 PRO HG2 H 1.697 0.04 2 18 305 3 PRO HG3 H 1.777 0.04 2 19 305 3 PRO HD2 H 3.419 0.04 2 20 305 3 PRO HD3 H 3.471 0.04 2 21 305 3 PRO CA C 60.043 0.40 1 22 305 3 PRO CB C 28.908 0.40 1 23 305 3 PRO CG C 24.086 0.40 1 24 305 3 PRO CD C 46.845 0.40 1 25 306 4 SER HA H 4.260 0.04 1 26 306 4 SER HB2 H 3.691 0.04 2 27 306 4 SER HB3 H 3.691 0.04 2 28 306 4 SER C C 171.610 0.40 1 29 306 4 SER CA C 56.366 0.40 1 30 306 4 SER CB C 60.887 0.40 1 31 307 5 CYS H H 8.980 0.04 1 32 307 5 CYS HA H 4.453 0.04 1 33 307 5 CYS HB2 H 2.427 0.04 2 34 307 5 CYS HB3 H 3.136 0.04 2 35 307 5 CYS C C 174.275 0.40 1 36 307 5 CYS CA C 55.567 0.40 1 37 307 5 CYS CB C 29.406 0.40 1 38 307 5 CYS N N 125.964 0.40 1 39 308 6 ARG H H 8.808 0.04 1 40 308 6 ARG HA H 3.885 0.04 1 41 308 6 ARG HB2 H 1.430 0.04 2 42 308 6 ARG HB3 H 1.430 0.04 2 43 308 6 ARG HG2 H 1.155 0.04 2 44 308 6 ARG HG3 H 0.665 0.04 2 45 308 6 ARG HD2 H 2.798 0.04 2 46 308 6 ARG HD3 H 2.798 0.04 2 47 308 6 ARG C C 173.225 0.40 1 48 308 6 ARG CA C 54.486 0.40 1 49 308 6 ARG CB C 26.490 0.40 1 50 308 6 ARG CG C 23.400 0.40 1 51 308 6 ARG CD C 40.451 0.40 1 52 308 6 ARG N N 127.387 0.40 1 53 309 7 PHE H H 8.943 0.04 1 54 309 7 PHE HA H 4.256 0.04 1 55 309 7 PHE HB2 H 2.843 0.04 2 56 309 7 PHE HB3 H 3.109 0.04 2 57 309 7 PHE HD1 H 7.320 0.04 3 58 309 7 PHE HD2 H 7.320 0.04 3 59 309 7 PHE HE1 H 7.300 0.04 3 60 309 7 PHE HE2 H 7.300 0.04 3 61 309 7 PHE CA C 58.000 0.40 1 62 309 7 PHE CB C 36.276 0.40 1 63 309 7 PHE CD1 C 132.100 0.40 3 64 309 7 PHE CE1 C 131.310 0.40 3 65 309 7 PHE N N 121.692 0.40 1 66 310 8 CYS H H 8.133 0.04 1 67 310 8 CYS HA H 4.725 0.04 1 68 310 8 CYS HB2 H 2.714 0.04 2 69 310 8 CYS HB3 H 3.104 0.04 2 70 310 8 CYS C C 174.450 0.40 1 71 310 8 CYS CA C 55.482 0.40 1 72 310 8 CYS CB C 28.967 0.40 1 73 310 8 CYS N N 117.051 0.40 1 74 311 9 LYS H H 7.789 0.04 1 75 311 9 LYS HA H 3.838 0.04 1 76 311 9 LYS HB2 H 1.780 0.04 2 77 311 9 LYS HB3 H 1.860 0.04 2 78 311 9 LYS HG2 H 1.099 0.04 2 79 311 9 LYS HG3 H 1.169 0.04 2 80 311 9 LYS HD2 H 1.460 0.04 2 81 311 9 LYS HD3 H 1.460 0.04 2 82 311 9 LYS HE2 H 2.823 0.04 2 83 311 9 LYS HE3 H 2.823 0.04 2 84 311 9 LYS C C 172.285 0.40 1 85 311 9 LYS CA C 54.524 0.40 1 86 311 9 LYS CB C 26.468 0.40 1 87 311 9 LYS CG C 22.280 0.40 1 88 311 9 LYS CD C 26.186 0.40 1 89 311 9 LYS CE C 39.504 0.40 1 90 311 9 LYS N N 120.595 0.40 1 91 312 10 ASP H H 8.702 0.04 1 92 312 10 ASP HA H 4.150 0.04 1 93 312 10 ASP HB2 H 2.834 0.04 2 94 312 10 ASP HB3 H 2.834 0.04 2 95 312 10 ASP C C 172.197 0.40 1 96 312 10 ASP CA C 51.610 0.40 1 97 312 10 ASP CB C 35.686 0.40 1 98 312 10 ASP N N 118.112 0.40 1 99 313 11 ASP H H 7.159 0.04 1 100 313 11 ASP HA H 4.432 0.04 1 101 313 11 ASP HB2 H 2.459 0.04 2 102 313 11 ASP HB3 H 2.807 0.04 2 103 313 11 ASP C C 173.707 0.40 1 104 313 11 ASP CA C 50.888 0.40 1 105 313 11 ASP CB C 38.023 0.40 1 106 313 11 ASP N N 118.965 0.40 1 107 314 12 GLU H H 8.600 0.04 1 108 314 12 GLU HA H 3.854 0.04 1 109 314 12 GLU HB2 H 1.956 0.04 2 110 314 12 GLU HB3 H 1.862 0.04 2 111 314 12 GLU HG2 H 2.138 0.04 2 112 314 12 GLU HG3 H 2.058 0.04 2 113 314 12 GLU C C 173.991 0.40 1 114 314 12 GLU CA C 54.986 0.40 1 115 314 12 GLU CB C 26.524 0.40 1 116 314 12 GLU CG C 33.484 0.40 1 117 314 12 GLU N N 125.174 0.40 1 118 315 13 ASN H H 8.479 0.04 1 119 315 13 ASN HA H 4.531 0.04 1 120 315 13 ASN HB2 H 2.713 0.04 2 121 315 13 ASN HB3 H 2.713 0.04 2 122 315 13 ASN HD21 H 6.915 0.04 2 123 315 13 ASN HD22 H 7.822 0.04 2 124 315 13 ASN C C 171.979 0.40 1 125 315 13 ASN CA C 51.108 0.40 1 126 315 13 ASN CB C 36.311 0.40 1 127 315 13 ASN N N 116.307 0.40 1 128 315 13 ASN ND2 N 115.382 0.40 1 129 316 14 LYS H H 7.734 0.04 1 130 316 14 LYS HA H 4.641 0.04 1 131 316 14 LYS HB2 H 1.636 0.04 2 132 316 14 LYS HB3 H 1.760 0.04 2 133 316 14 LYS HG2 H 1.243 0.04 2 134 316 14 LYS HG3 H 1.311 0.04 2 135 316 14 LYS HD2 H 1.592 0.04 2 136 316 14 LYS HD3 H 1.592 0.04 2 137 316 14 LYS HE2 H 2.896 0.04 2 138 316 14 LYS HE3 H 2.896 0.04 2 139 316 14 LYS CA C 50.563 0.40 1 140 316 14 LYS CB C 31.154 0.40 1 141 316 14 LYS CG C 21.779 0.40 1 142 316 14 LYS CD C 26.701 0.40 1 143 316 14 LYS CE C 39.477 0.40 1 144 316 14 LYS N N 121.675 0.40 1 145 317 15 PRO HA H 4.358 0.04 1 146 317 15 PRO HB2 H 1.740 0.04 2 147 317 15 PRO HB3 H 2.024 0.04 2 148 317 15 PRO HG2 H 1.895 0.04 2 149 317 15 PRO HG3 H 1.895 0.04 2 150 317 15 PRO HD2 H 3.511 0.04 2 151 317 15 PRO HD3 H 3.689 0.04 2 152 317 15 PRO C C 173.597 0.40 1 153 317 15 PRO CA C 59.743 0.40 1 154 317 15 PRO CB C 28.798 0.40 1 155 317 15 PRO CG C 24.617 0.40 1 156 317 15 PRO CD C 47.703 0.40 1 157 318 16 CYS H H 8.471 0.04 1 158 318 16 CYS HA H 4.261 0.04 1 159 318 16 CYS HB2 H 2.401 0.04 2 160 318 16 CYS HB3 H 2.835 0.04 2 161 318 16 CYS C C 172.504 0.40 1 162 318 16 CYS CA C 57.126 0.40 1 163 318 16 CYS CB C 29.898 0.40 1 164 318 16 CYS N N 124.278 0.40 1 165 319 17 ARG H H 8.732 0.04 1 166 319 17 ARG HA H 4.341 0.04 1 167 319 17 ARG HB2 H 1.523 0.04 2 168 319 17 ARG HB3 H 1.815 0.04 2 169 319 17 ARG HG2 H 1.344 0.04 2 170 319 17 ARG HG3 H 1.449 0.04 2 171 319 17 ARG HD2 H 2.947 0.04 2 172 319 17 ARG HD3 H 2.947 0.04 2 173 319 17 ARG C C 173.335 0.40 1 174 319 17 ARG CA C 53.683 0.40 1 175 319 17 ARG CB C 27.387 0.40 1 176 319 17 ARG CG C 24.870 0.40 1 177 319 17 ARG CD C 40.689 0.40 1 178 319 17 ARG N N 126.375 0.40 1 179 320 18 LYS H H 8.907 0.04 1 180 320 18 LYS HA H 4.185 0.04 1 181 320 18 LYS HB2 H 1.591 0.04 2 182 320 18 LYS HB3 H 1.591 0.04 2 183 320 18 LYS HG2 H 0.552 0.04 2 184 320 18 LYS HG3 H 0.962 0.04 2 185 320 18 LYS HD2 H 1.003 0.04 2 186 320 18 LYS HD3 H 1.171 0.04 2 187 320 18 LYS HE2 H 2.208 0.04 2 188 320 18 LYS HE3 H 2.288 0.04 2 189 320 18 LYS CA C 54.214 0.40 1 190 320 18 LYS CB C 29.956 0.40 1 191 320 18 LYS CG C 21.280 0.40 1 192 320 18 LYS CD C 25.270 0.40 1 193 320 18 LYS CE C 38.999 0.40 1 194 320 18 LYS N N 121.002 0.40 1 195 321 19 CYS H H 7.666 0.04 1 196 321 19 CYS HA H 4.695 0.04 1 197 321 19 CYS HB2 H 2.640 0.04 2 198 321 19 CYS HB3 H 3.040 0.04 2 199 321 19 CYS CA C 55.078 0.40 1 200 321 19 CYS CB C 28.838 0.40 1 201 321 19 CYS N N 115.212 0.40 1 202 322 20 ALA H H 6.808 0.04 1 203 322 20 ALA HA H 4.352 0.04 1 204 322 20 ALA HB H 1.062 0.04 1 205 322 20 ALA CA C 47.077 0.40 1 206 322 20 ALA CB C 17.140 0.40 1 207 322 20 ALA N N 126.415 0.40 1 208 323 21 CYS H H 7.460 0.04 1 209 323 21 CYS HA H 3.450 0.04 1 210 323 21 CYS HB2 H 1.420 0.04 2 211 323 21 CYS HB3 H 2.998 0.04 2 212 323 21 CYS C C 175.085 0.40 1 213 323 21 CYS CA C 56.208 0.40 1 214 323 21 CYS CB C 27.937 0.40 1 215 323 21 CYS N N 121.103 0.40 1 216 324 22 HIS H H 9.491 0.04 1 217 324 22 HIS HA H 4.301 0.04 1 218 324 22 HIS HB2 H 2.046 0.04 2 219 324 22 HIS HB3 H 2.813 0.04 2 220 324 22 HIS C C 172.175 0.40 1 221 324 22 HIS CA C 54.323 0.40 1 222 324 22 HIS CB C 26.615 0.40 1 223 324 22 HIS N N 128.648 0.40 1 224 325 23 VAL H H 8.774 0.04 1 225 325 23 VAL HA H 3.749 0.04 1 226 325 23 VAL HB H 2.048 0.04 1 227 325 23 VAL HG1 H 1.166 0.04 2 228 325 23 VAL HG2 H 1.001 0.04 2 229 325 23 VAL CA C 62.258 0.40 1 230 325 23 VAL CB C 30.336 0.40 1 231 325 23 VAL CG1 C 18.937 0.40 2 232 325 23 VAL CG2 C 17.603 0.40 2 233 325 23 VAL N N 119.647 0.40 1 234 326 24 CYS H H 8.010 0.04 1 235 326 24 CYS HA H 4.872 0.04 1 236 326 24 CYS HB2 H 2.979 0.04 2 237 326 24 CYS HB3 H 3.267 0.04 2 238 326 24 CYS C C 174.254 0.40 1 239 326 24 CYS CA C 55.870 0.40 1 240 326 24 CYS CB C 29.323 0.40 1 241 326 24 CYS N N 116.839 0.40 1 242 327 25 GLY H H 8.226 0.04 1 243 327 25 GLY HA2 H 3.618 0.04 2 244 327 25 GLY HA3 H 3.866 0.04 2 245 327 25 GLY C C 170.119 0.40 1 246 327 25 GLY CA C 42.975 0.40 1 247 327 25 GLY N N 115.569 0.40 1 248 328 26 GLY H H 9.459 0.04 1 249 328 26 GLY HA2 H 4.065 0.04 2 250 328 26 GLY HA3 H 4.065 0.04 2 251 328 26 GLY C C 171.169 0.40 1 252 328 26 GLY CA C 42.138 0.40 1 253 328 26 GLY N N 112.896 0.40 1 254 329 27 ARG H H 8.524 0.04 1 255 329 27 ARG HA H 4.540 0.04 1 256 329 27 ARG HB2 H 1.401 0.04 2 257 329 27 ARG HB3 H 1.914 0.04 2 258 329 27 ARG HG2 H 1.488 0.04 2 259 329 27 ARG HG3 H 1.488 0.04 2 260 329 27 ARG HD2 H 3.025 0.04 2 261 329 27 ARG HD3 H 3.115 0.04 2 262 329 27 ARG C C 174.319 0.40 1 263 329 27 ARG CA C 52.158 0.40 1 264 329 27 ARG CB C 28.290 0.40 1 265 329 27 ARG CG C 25.434 0.40 1 266 329 27 ARG CD C 40.879 0.40 1 267 329 27 ARG N N 119.553 0.40 1 268 330 28 GLU H H 9.349 0.04 1 269 330 28 GLU HA H 4.154 0.04 1 270 330 28 GLU HB2 H 1.903 0.04 2 271 330 28 GLU HB3 H 2.029 0.04 2 272 330 28 GLU HG2 H 2.050 0.04 2 273 330 28 GLU HG3 H 2.264 0.04 2 274 330 28 GLU C C 172.613 0.40 1 275 330 28 GLU CA C 53.574 0.40 1 276 330 28 GLU CB C 25.825 0.40 1 277 330 28 GLU CG C 32.572 0.40 1 278 330 28 GLU N N 122.093 0.40 1 279 331 29 ALA H H 9.040 0.04 1 280 331 29 ALA HA H 4.282 0.04 1 281 331 29 ALA HB H 1.354 0.04 1 282 331 29 ALA CA C 49.310 0.40 1 283 331 29 ALA CB C 15.560 0.40 1 284 331 29 ALA N N 121.277 0.40 1 285 332 30 PRO HA H 3.875 0.04 1 286 332 30 PRO HB2 H 1.820 0.04 2 287 332 30 PRO HB3 H 2.131 0.04 2 288 332 30 PRO HG2 H 1.929 0.04 2 289 332 30 PRO HG3 H 1.929 0.04 2 290 332 30 PRO HD2 H 3.562 0.04 2 291 332 30 PRO HD3 H 3.752 0.04 2 292 332 30 PRO C C 176.069 0.40 1 293 332 30 PRO CA C 62.487 0.40 1 294 332 30 PRO CB C 27.965 0.40 1 295 332 30 PRO CG C 24.985 0.40 1 296 332 30 PRO CD C 47.349 0.40 1 297 333 31 GLU H H 9.705 0.04 1 298 333 31 GLU HA H 4.249 0.04 1 299 333 31 GLU HB2 H 1.967 0.04 2 300 333 31 GLU HB3 H 1.967 0.04 2 301 333 31 GLU HG2 H 2.009 0.04 2 302 333 31 GLU HG3 H 2.360 0.04 2 303 333 31 GLU C C 174.713 0.40 1 304 333 31 GLU CA C 55.231 0.40 1 305 333 31 GLU CB C 24.511 0.40 1 306 333 31 GLU CG C 33.062 0.40 1 307 333 31 GLU N N 118.362 0.40 1 308 334 32 LYS H H 8.300 0.04 1 309 334 32 LYS HA H 4.295 0.04 1 310 334 32 LYS HB2 H 1.918 0.04 2 311 334 32 LYS HB3 H 2.164 0.04 2 312 334 32 LYS HG2 H 1.241 0.04 2 313 334 32 LYS HG3 H 1.424 0.04 2 314 334 32 LYS HE2 H 2.938 0.04 2 315 334 32 LYS HE3 H 2.938 0.04 2 316 334 32 LYS C C 171.279 0.40 1 317 334 32 LYS CA C 51.801 0.40 1 318 334 32 LYS CB C 29.980 0.40 1 319 334 32 LYS CG C 23.202 0.40 1 320 334 32 LYS CD C 27.102 0.40 1 321 334 32 LYS CE C 39.502 0.40 1 322 334 32 LYS N N 121.041 0.40 1 323 335 33 GLN H H 7.155 0.04 1 324 335 33 GLN HA H 4.750 0.04 1 325 335 33 GLN HB2 H 1.821 0.04 2 326 335 33 GLN HB3 H 1.821 0.04 2 327 335 33 GLN HG2 H 1.199 0.04 2 328 335 33 GLN HG3 H 2.317 0.04 2 329 335 33 GLN C C 172.132 0.40 1 330 335 33 GLN CA C 51.845 0.40 1 331 335 33 GLN CB C 27.258 0.40 1 332 335 33 GLN CG C 31.767 0.40 1 333 335 33 GLN N N 117.868 0.40 1 334 336 34 LEU H H 8.487 0.04 1 335 336 34 LEU HA H 4.195 0.04 1 336 336 34 LEU HB2 H 0.366 0.04 2 337 336 34 LEU HB3 H 0.462 0.04 2 338 336 34 LEU HG H 0.739 0.04 1 339 336 34 LEU HD1 H 0.012 0.04 2 340 336 34 LEU HD2 H -0.517 0.04 2 341 336 34 LEU C C 171.957 0.40 1 342 336 34 LEU CA C 50.324 0.40 1 343 336 34 LEU CB C 41.334 0.40 1 344 336 34 LEU CG C 23.378 0.40 1 345 336 34 LEU CD1 C 20.763 0.40 2 346 336 34 LEU CD2 C 21.498 0.40 2 347 336 34 LEU N N 123.974 0.40 1 348 337 35 LEU H H 8.069 0.04 1 349 337 35 LEU HA H 5.009 0.04 1 350 337 35 LEU HB2 H 1.295 0.04 2 351 337 35 LEU HB3 H 1.295 0.04 2 352 337 35 LEU HG H 1.303 0.04 1 353 337 35 LEU HD1 H 0.635 0.04 2 354 337 35 LEU HD2 H 0.624 0.04 2 355 337 35 LEU C C 173.808 0.40 1 356 337 35 LEU CA C 50.226 0.40 1 357 337 35 LEU CB C 41.231 0.40 1 358 337 35 LEU CG C 24.930 0.40 1 359 337 35 LEU CD1 C 21.975 0.40 2 360 337 35 LEU CD2 C 21.444 0.40 2 361 337 35 LEU N N 122.464 0.40 1 362 338 36 CYS H H 8.979 0.04 1 363 338 36 CYS HA H 4.616 0.04 1 364 338 36 CYS HB2 H 2.818 0.04 2 365 338 36 CYS HB3 H 3.570 0.04 2 366 338 36 CYS C C 175.238 0.40 1 367 338 36 CYS CA C 57.136 0.40 1 368 338 36 CYS CB C 29.229 0.40 1 369 338 36 CYS N N 125.946 0.40 1 370 339 37 ASP H H 9.094 0.04 1 371 339 37 ASP HA H 4.382 0.04 1 372 339 37 ASP HB2 H 1.951 0.04 2 373 339 37 ASP HB3 H 2.439 0.04 2 374 339 37 ASP C C 172.504 0.40 1 375 339 37 ASP CA C 54.832 0.40 1 376 339 37 ASP CB C 38.910 0.40 1 377 339 37 ASP N N 130.792 0.40 1 378 340 38 GLU H H 9.259 0.04 1 379 340 38 GLU HA H 4.675 0.04 1 380 340 38 GLU HB2 H 2.058 0.04 2 381 340 38 GLU HB3 H 2.613 0.04 2 382 340 38 GLU HG2 H 1.960 0.04 2 383 340 38 GLU HG3 H 2.258 0.04 2 384 340 38 GLU C C 173.904 0.40 1 385 340 38 GLU CA C 55.433 0.40 1 386 340 38 GLU CB C 27.690 0.40 1 387 340 38 GLU CG C 33.048 0.40 1 388 340 38 GLU N N 122.593 0.40 1 389 341 39 CYS H H 8.401 0.04 1 390 341 39 CYS HA H 4.641 0.04 1 391 341 39 CYS HB2 H 2.548 0.04 2 392 341 39 CYS HB3 H 3.057 0.04 2 393 341 39 CYS C C 173.335 0.40 1 394 341 39 CYS CA C 57.095 0.40 1 395 341 39 CYS CB C 29.081 0.40 1 396 341 39 CYS N N 118.622 0.40 1 397 342 40 ASP H H 7.748 0.04 1 398 342 40 ASP HA H 4.393 0.04 1 399 342 40 ASP HB2 H 2.471 0.04 2 400 342 40 ASP HB3 H 2.901 0.04 2 401 342 40 ASP C C 171.300 0.40 1 402 342 40 ASP CA C 53.595 0.40 1 403 342 40 ASP CB C 38.011 0.40 1 404 342 40 ASP N N 118.897 0.40 1 405 343 41 MET H H 7.708 0.04 1 406 343 41 MET HA H 4.399 0.04 1 407 343 41 MET HB2 H 1.234 0.04 2 408 343 41 MET HB3 H 2.187 0.04 2 409 343 41 MET HG2 H 2.077 0.04 2 410 343 41 MET HG3 H 2.315 0.04 2 411 343 41 MET HE H 1.882 0.04 1 412 343 41 MET C C 170.994 0.40 1 413 343 41 MET CA C 52.129 0.40 1 414 343 41 MET CB C 31.808 0.40 1 415 343 41 MET CG C 31.018 0.40 1 416 343 41 MET CE C 16.001 0.40 1 417 343 41 MET N N 116.307 0.40 1 418 344 42 ALA H H 8.154 0.04 1 419 344 42 ALA HA H 5.276 0.04 1 420 344 42 ALA HB H 0.826 0.04 1 421 344 42 ALA C C 174.210 0.40 1 422 344 42 ALA CA C 47.428 0.40 1 423 344 42 ALA CB C 18.284 0.40 1 424 344 42 ALA N N 123.768 0.40 1 425 345 43 PHE H H 8.845 0.04 1 426 345 43 PHE HA H 5.034 0.04 1 427 345 43 PHE HB2 H 2.574 0.04 2 428 345 43 PHE HB3 H 2.574 0.04 2 429 345 43 PHE HD1 H 7.264 0.04 3 430 345 43 PHE HD2 H 7.264 0.04 3 431 345 43 PHE HE1 H 7.202 0.04 3 432 345 43 PHE HE2 H 7.202 0.04 3 433 345 43 PHE C C 174.057 0.40 1 434 345 43 PHE CA C 53.571 0.40 1 435 345 43 PHE CB C 40.619 0.40 1 436 345 43 PHE CD1 C 132.600 0.40 3 437 345 43 PHE CE1 C 131.310 0.40 3 438 345 43 PHE N N 115.758 0.40 1 439 346 44 HIS H H 9.069 0.04 1 440 346 44 HIS HA H 4.593 0.04 1 441 346 44 HIS HB2 H 1.212 0.04 2 442 346 44 HIS HB3 H 3.056 0.04 2 443 346 44 HIS HD2 H 6.582 0.04 1 444 346 44 HIS HE1 H 7.168 0.04 1 445 346 44 HIS C C 175.982 0.40 1 446 346 44 HIS CA C 55.521 0.40 1 447 346 44 HIS CB C 27.870 0.40 1 448 346 44 HIS CD2 C 118.975 0.40 1 449 346 44 HIS CE1 C 138.241 0.40 1 450 346 44 HIS N N 121.886 0.40 1 451 347 45 LEU H H 8.792 0.04 1 452 347 45 LEU HA H 3.650 0.04 1 453 347 45 LEU HB2 H 1.438 0.04 2 454 347 45 LEU HB3 H 1.733 0.04 2 455 347 45 LEU HG H 1.571 0.04 1 456 347 45 LEU HD1 H 0.540 0.04 2 457 347 45 LEU HD2 H 0.441 0.04 2 458 347 45 LEU C C 174.560 0.40 1 459 347 45 LEU CA C 55.272 0.40 1 460 347 45 LEU CB C 39.101 0.40 1 461 347 45 LEU CG C 24.004 0.40 1 462 347 45 LEU CD1 C 22.642 0.40 2 463 347 45 LEU CD2 C 20.545 0.40 2 464 347 45 LEU N N 120.805 0.40 1 465 348 46 TYR H H 6.102 0.04 1 466 348 46 TYR HA H 4.557 0.04 1 467 348 46 TYR HB2 H 2.899 0.04 2 468 348 46 TYR HB3 H 3.361 0.04 2 469 348 46 TYR HD1 H 7.083 0.04 3 470 348 46 TYR HD2 H 7.083 0.04 3 471 348 46 TYR HE1 H 6.300 0.04 3 472 348 46 TYR HE2 H 6.300 0.04 3 473 348 46 TYR C C 174.035 0.40 1 474 348 46 TYR CA C 52.316 0.40 1 475 348 46 TYR CB C 33.437 0.40 1 476 348 46 TYR CD1 C 134.436 0.40 3 477 348 46 TYR CE1 C 118.271 0.40 3 478 348 46 TYR N N 106.081 0.40 1 479 349 47 CYS H H 7.498 0.04 1 480 349 47 CYS HA H 4.427 0.04 1 481 349 47 CYS HB2 H 2.638 0.04 2 482 349 47 CYS HB3 H 3.168 0.04 2 483 349 47 CYS C C 172.241 0.40 1 484 349 47 CYS CA C 58.908 0.40 1 485 349 47 CYS CB C 27.502 0.40 1 486 349 47 CYS N N 122.190 0.40 1 487 350 48 LEU H H 6.461 0.04 1 488 350 48 LEU HA H 4.158 0.04 1 489 350 48 LEU HB2 H 1.418 0.04 2 490 350 48 LEU HB3 H 1.742 0.04 2 491 350 48 LEU HG H 1.783 0.04 1 492 350 48 LEU HD1 H 0.822 0.04 2 493 350 48 LEU HD2 H 0.739 0.04 2 494 350 48 LEU C C 172.197 0.40 1 495 350 48 LEU CA C 52.079 0.40 1 496 350 48 LEU CB C 41.031 0.40 1 497 350 48 LEU CG C 24.113 0.40 1 498 350 48 LEU CD1 C 23.950 0.40 2 499 350 48 LEU CD2 C 20.136 0.40 2 500 350 48 LEU N N 120.852 0.40 1 501 351 49 LYS H H 8.079 0.04 1 502 351 49 LYS HA H 4.479 0.04 1 503 351 49 LYS HB2 H 1.604 0.04 2 504 351 49 LYS HB3 H 1.604 0.04 2 505 351 49 LYS HG2 H 1.167 0.04 2 506 351 49 LYS HG3 H 1.303 0.04 2 507 351 49 LYS HD2 H 1.564 0.04 2 508 351 49 LYS HD3 H 1.564 0.04 2 509 351 49 LYS HE2 H 2.896 0.04 2 510 351 49 LYS HE3 H 2.896 0.04 2 511 351 49 LYS CA C 49.828 0.40 1 512 351 49 LYS CB C 31.686 0.40 1 513 351 49 LYS CG C 21.850 0.40 1 514 351 49 LYS CD C 26.442 0.40 1 515 351 49 LYS CE C 39.477 0.40 1 516 351 49 LYS N N 118.777 0.40 1 517 352 50 PRO HA H 4.982 0.04 1 518 352 50 PRO HB2 H 1.951 0.04 2 519 352 50 PRO HB3 H 2.324 0.04 2 520 352 50 PRO HG2 H 1.774 0.04 2 521 352 50 PRO HG3 H 1.830 0.04 2 522 352 50 PRO HD2 H 3.358 0.04 2 523 352 50 PRO HD3 H 3.559 0.04 2 524 352 50 PRO CA C 59.389 0.40 1 525 352 50 PRO CB C 30.474 0.40 1 526 352 50 PRO CG C 22.220 0.40 1 527 352 50 PRO CD C 47.411 0.40 1 528 353 51 PRO HA H 4.304 0.04 1 529 353 51 PRO HB2 H 1.775 0.04 2 530 353 51 PRO HB3 H 2.149 0.04 2 531 353 51 PRO HG2 H 1.929 0.04 2 532 353 51 PRO HG3 H 2.026 0.04 2 533 353 51 PRO HD2 H 3.603 0.04 2 534 353 51 PRO HD3 H 3.603 0.04 2 535 353 51 PRO C C 174.604 0.40 1 536 353 51 PRO CA C 60.508 0.40 1 537 353 51 PRO CB C 29.144 0.40 1 538 353 51 PRO CG C 24.631 0.40 1 539 353 51 PRO CD C 47.213 0.40 1 540 354 52 LEU H H 7.502 0.04 1 541 354 52 LEU HA H 4.625 0.04 1 542 354 52 LEU HB2 H 1.513 0.04 2 543 354 52 LEU HB3 H 1.513 0.04 2 544 354 52 LEU HG H 1.732 0.04 1 545 354 52 LEU HD1 H 0.720 0.04 2 546 354 52 LEU HD2 H 0.809 0.04 2 547 354 52 LEU C C 174.625 0.40 1 548 354 52 LEU CA C 50.451 0.40 1 549 354 52 LEU CB C 41.565 0.40 1 550 354 52 LEU CG C 24.440 0.40 1 551 354 52 LEU CD1 C 22.860 0.40 2 552 354 52 LEU CD2 C 20.027 0.40 2 553 354 52 LEU N N 120.801 0.40 1 554 355 53 THR H H 8.667 0.04 1 555 355 53 THR HA H 4.205 0.04 1 556 355 53 THR HB H 4.239 0.04 1 557 355 53 THR HG2 H 1.049 0.04 1 558 355 53 THR C C 171.760 0.40 1 559 355 53 THR CA C 59.335 0.40 1 560 355 53 THR CB C 66.662 0.40 1 561 355 53 THR CG2 C 19.046 0.40 1 562 355 53 THR N N 110.201 0.40 1 563 356 54 SER H H 7.425 0.04 1 564 356 54 SER HA H 4.409 0.04 1 565 356 54 SER HB2 H 3.583 0.04 2 566 356 54 SER HB3 H 3.676 0.04 2 567 356 54 SER C C 170.097 0.40 1 568 356 54 SER CA C 54.027 0.40 1 569 356 54 SER CB C 62.334 0.40 1 570 356 54 SER N N 114.608 0.40 1 571 357 55 VAL H H 8.465 0.04 1 572 357 55 VAL HA H 3.734 0.04 1 573 357 55 VAL HB H 1.823 0.04 1 574 357 55 VAL HG1 H 0.793 0.04 2 575 357 55 VAL HG2 H 0.756 0.04 2 576 357 55 VAL CA C 58.381 0.40 1 577 357 55 VAL CB C 29.398 0.40 1 578 357 55 VAL CG1 C 18.447 0.40 2 579 357 55 VAL CG2 C 17.684 0.40 2 580 357 55 VAL N N 123.185 0.40 1 581 358 56 PRO HA H 4.536 0.04 1 582 358 56 PRO HB2 H 2.069 0.04 2 583 358 56 PRO HB3 H 2.467 0.04 2 584 358 56 PRO HG2 H 1.888 0.04 2 585 358 56 PRO HG3 H 1.830 0.04 2 586 358 56 PRO HD2 H 3.283 0.04 2 587 358 56 PRO HD3 H 3.599 0.04 2 588 358 56 PRO CA C 58.844 0.40 1 589 358 56 PRO CB C 28.404 0.40 1 590 358 56 PRO CG C 24.603 0.40 1 591 358 56 PRO CD C 48.615 0.40 1 592 359 57 PRO HA H 4.324 0.04 1 593 359 57 PRO HB2 H 1.903 0.04 2 594 359 57 PRO HB3 H 2.036 0.04 2 595 359 57 PRO HG2 H 1.844 0.04 2 596 359 57 PRO HG3 H 1.926 0.04 2 597 359 57 PRO HD2 H 3.592 0.04 2 598 359 57 PRO HD3 H 3.800 0.04 2 599 359 57 PRO C C 174.450 0.40 1 600 359 57 PRO CA C 60.824 0.40 1 601 359 57 PRO CB C 28.740 0.40 1 602 359 57 PRO CG C 24.195 0.40 1 603 359 57 PRO CD C 47.785 0.40 1 604 360 58 GLU H H 8.005 0.04 1 605 360 58 GLU HA H 4.345 0.04 1 606 360 58 GLU HB2 H 2.043 0.04 2 607 360 58 GLU HB3 H 2.118 0.04 2 608 360 58 GLU HG2 H 2.241 0.04 2 609 360 58 GLU HG3 H 2.453 0.04 2 610 360 58 GLU CA C 53.369 0.40 1 611 360 58 GLU CB C 25.693 0.40 1 612 360 58 GLU CG C 34.165 0.40 1 613 360 58 GLU N N 121.109 0.40 1 614 361 59 PRO HA H 4.210 0.04 1 615 361 59 PRO HB2 H 1.911 0.04 2 616 361 59 PRO HB3 H 2.164 0.04 2 617 361 59 PRO HG2 H 1.936 0.04 2 618 361 59 PRO HG3 H 1.936 0.04 2 619 361 59 PRO HD2 H 3.669 0.04 2 620 361 59 PRO HD3 H 3.740 0.04 2 621 361 59 PRO C C 173.882 0.40 1 622 361 59 PRO CA C 61.752 0.40 1 623 361 59 PRO CB C 28.895 0.40 1 624 361 59 PRO CG C 24.589 0.40 1 625 361 59 PRO CD C 47.608 0.40 1 626 362 60 GLU H H 7.217 0.04 1 627 362 60 GLU HA H 4.566 0.04 1 628 362 60 GLU HB2 H 1.614 0.04 2 629 362 60 GLU HB3 H 1.775 0.04 2 630 362 60 GLU HG2 H 1.973 0.04 2 631 362 60 GLU HG3 H 2.104 0.04 2 632 362 60 GLU C C 171.650 0.40 1 633 362 60 GLU CA C 52.198 0.40 1 634 362 60 GLU CB C 29.222 0.40 1 635 362 60 GLU CG C 33.443 0.40 1 636 362 60 GLU N N 115.381 0.40 1 637 363 61 TRP H H 8.939 0.04 1 638 363 61 TRP HA H 4.177 0.04 1 639 363 61 TRP HB2 H 2.904 0.04 2 640 363 61 TRP HB3 H 2.904 0.04 2 641 363 61 TRP HD1 H 7.190 0.04 1 642 363 61 TRP HE1 H 9.602 0.04 1 643 363 61 TRP HZ2 H 6.968 0.04 1 644 363 61 TRP HH2 H 5.986 0.04 1 645 363 61 TRP C C 169.047 0.40 1 646 363 61 TRP CA C 56.464 0.40 1 647 363 61 TRP CB C 27.794 0.40 1 648 363 61 TRP CD1 C 126.228 0.40 1 649 363 61 TRP CZ2 C 113.764 0.40 1 650 363 61 TRP CH2 C 122.500 0.40 1 651 363 61 TRP N N 125.162 0.40 1 652 363 61 TRP NE1 N 127.845 0.40 1 653 364 62 TYR H H 6.702 0.04 1 654 364 62 TYR HA H 5.119 0.04 1 655 364 62 TYR HB2 H 2.017 0.04 2 656 364 62 TYR HB3 H 2.298 0.04 2 657 364 62 TYR HD1 H 6.798 0.04 3 658 364 62 TYR HD2 H 6.798 0.04 3 659 364 62 TYR HE1 H 6.562 0.04 3 660 364 62 TYR HE2 H 6.562 0.04 3 661 364 62 TYR C C 171.235 0.40 1 662 364 62 TYR CA C 51.797 0.40 1 663 364 62 TYR CB C 38.367 0.40 1 664 364 62 TYR CD1 C 132.962 0.40 3 665 364 62 TYR CE1 C 118.165 0.40 3 666 364 62 TYR N N 122.996 0.40 1 667 365 63 CYS H H 9.133 0.04 1 668 365 63 CYS HA H 3.337 0.04 1 669 365 63 CYS HB2 H 2.024 0.04 2 670 365 63 CYS HB3 H 2.348 0.04 2 671 365 63 CYS CA C 54.486 0.40 1 672 365 63 CYS CB C 27.151 0.40 1 673 365 63 CYS N N 127.810 0.40 1 674 366 64 PRO HA H 3.841 0.04 1 675 366 64 PRO HB2 H 1.793 0.04 2 676 366 64 PRO HB3 H 2.278 0.04 2 677 366 64 PRO HG2 H 1.806 0.04 2 678 366 64 PRO HG3 H 2.045 0.04 2 679 366 64 PRO HD2 H 3.104 0.04 2 680 366 64 PRO HD3 H 3.104 0.04 2 681 366 64 PRO C C 175.479 0.40 1 682 366 64 PRO CA C 62.536 0.40 1 683 366 64 PRO CB C 29.247 0.40 1 684 366 64 PRO CG C 25.366 0.40 1 685 366 64 PRO CD C 47.131 0.40 1 686 367 65 SER H H 8.007 0.04 1 687 367 65 SER HA H 4.258 0.04 1 688 367 65 SER HB2 H 3.835 0.04 2 689 367 65 SER HB3 H 3.835 0.04 2 690 367 65 SER C C 172.875 0.40 1 691 367 65 SER CA C 58.016 0.40 1 692 367 65 SER CB C 60.460 0.40 1 693 367 65 SER N N 112.739 0.40 1 694 368 66 CYS H H 7.985 0.04 1 695 368 66 CYS HA H 3.893 0.04 1 696 368 66 CYS HB2 H 2.587 0.04 2 697 368 66 CYS HB3 H 2.719 0.04 2 698 368 66 CYS C C 173.794 0.40 1 699 368 66 CYS CA C 59.861 0.40 1 700 368 66 CYS CB C 27.908 0.40 1 701 368 66 CYS N N 124.128 0.40 1 702 369 67 ARG H H 7.753 0.04 1 703 369 67 ARG HA H 3.882 0.04 1 704 369 67 ARG HB2 H 1.420 0.04 2 705 369 67 ARG HB3 H 1.530 0.04 2 706 369 67 ARG HG2 H 1.277 0.04 2 707 369 67 ARG HG3 H 1.333 0.04 2 708 369 67 ARG HD2 H 2.889 0.04 2 709 369 67 ARG HD3 H 2.889 0.04 2 710 369 67 ARG C C 173.160 0.40 1 711 369 67 ARG CA C 53.415 0.40 1 712 369 67 ARG CB C 27.419 0.40 1 713 369 67 ARG CG C 23.378 0.40 1 714 369 67 ARG CD C 40.648 0.40 1 715 369 67 ARG N N 118.039 0.40 1 716 370 68 THR H H 7.865 0.04 1 717 370 68 THR HA H 4.099 0.04 1 718 370 68 THR HB H 4.005 0.04 1 719 370 68 THR HG2 H 0.988 0.04 1 720 370 68 THR C C 171.497 0.40 1 721 370 68 THR CA C 59.236 0.40 1 722 370 68 THR CB C 67.044 0.40 1 723 370 68 THR CG2 C 18.611 0.40 1 724 370 68 THR N N 115.055 0.40 1 725 371 69 ASP H H 8.243 0.04 1 726 371 69 ASP HA H 4.476 0.04 1 727 371 69 ASP HB2 H 2.487 0.04 2 728 371 69 ASP HB3 H 2.487 0.04 2 729 371 69 ASP C C 173.554 0.40 1 730 371 69 ASP CA C 51.434 0.40 1 731 371 69 ASP CB C 38.398 0.40 1 732 371 69 ASP N N 122.979 0.40 1 733 372 70 SER H H 8.179 0.04 1 734 372 70 SER HA H 4.312 0.04 1 735 372 70 SER HB2 H 3.740 0.04 2 736 372 70 SER HB3 H 3.740 0.04 2 737 372 70 SER C C 172.022 0.40 1 738 372 70 SER CA C 55.581 0.40 1 739 372 70 SER CB C 61.033 0.40 1 740 372 70 SER N N 116.800 0.40 1 741 373 71 SER H H 8.289 0.04 1 742 373 71 SER HA H 4.271 0.04 1 743 373 71 SER HB2 H 3.730 0.04 2 744 373 71 SER HB3 H 3.730 0.04 2 745 373 71 SER C C 171.672 0.40 1 746 373 71 SER CA C 56.051 0.40 1 747 373 71 SER CB C 60.858 0.40 1 748 373 71 SER N N 118.069 0.40 1 749 374 72 GLU H H 8.208 0.04 1 750 374 72 GLU HA H 4.152 0.04 1 751 374 72 GLU HB2 H 1.754 0.04 2 752 374 72 GLU HB3 H 1.896 0.04 2 753 374 72 GLU HG2 H 2.041 0.04 2 754 374 72 GLU HG3 H 2.041 0.04 2 755 374 72 GLU C C 173.466 0.40 1 756 374 72 GLU CA C 54.042 0.40 1 757 374 72 GLU CB C 27.394 0.40 1 758 374 72 GLU CG C 33.348 0.40 1 759 374 72 GLU N N 122.499 0.40 1 760 375 73 VAL H H 8.026 0.04 1 761 375 73 VAL HA H 3.919 0.04 1 762 375 73 VAL HB H 1.875 0.04 1 763 375 73 VAL HG2 H 0.788 0.04 2 764 375 73 VAL C C 173.291 0.40 1 765 375 73 VAL CA C 59.549 0.40 1 766 375 73 VAL CB C 29.708 0.40 1 767 375 73 VAL CG2 C 17.875 0.40 2 768 375 73 VAL N N 122.104 0.40 1 769 376 74 VAL H H 8.173 0.04 1 770 376 74 VAL HA H 3.924 0.04 1 771 376 74 VAL HB H 1.867 0.04 1 772 376 74 VAL HG2 H 0.744 0.04 2 773 376 74 VAL C C 173.291 0.40 1 774 376 74 VAL CA C 59.415 0.40 1 775 376 74 VAL CB C 30.089 0.40 1 776 376 74 VAL CG2 C 18.093 0.40 2 777 376 74 VAL N N 125.483 0.40 1 778 377 75 GLN H H 8.437 0.04 1 779 377 75 GLN HA H 4.177 0.04 1 780 377 75 GLN HB2 H 1.821 0.04 2 781 377 75 GLN HB3 H 1.944 0.04 2 782 377 75 GLN HG2 H 2.224 0.04 2 783 377 75 GLN HG3 H 2.224 0.04 2 784 377 75 GLN HE21 H 6.745 0.04 2 785 377 75 GLN HE22 H 7.452 0.04 2 786 377 75 GLN C C 172.635 0.40 1 787 377 75 GLN CA C 52.641 0.40 1 788 377 75 GLN CB C 26.572 0.40 1 789 377 75 GLN CG C 30.814 0.40 1 790 377 75 GLN N N 125.329 0.40 1 791 377 75 GLN NE2 N 112.861 0.40 1 792 378 76 ALA H H 8.359 0.04 1 793 378 76 ALA HA H 4.182 0.04 1 794 378 76 ALA HB H 1.269 0.04 1 795 378 76 ALA C C 175.304 0.40 1 796 378 76 ALA CA C 49.806 0.40 1 797 378 76 ALA CB C 16.477 0.40 1 798 378 76 ALA N N 126.392 0.40 1 799 379 77 GLY H H 8.296 0.04 1 800 379 77 GLY HA2 H 3.801 0.04 2 801 379 77 GLY HA3 H 3.801 0.04 2 802 379 77 GLY C C 170.447 0.40 1 803 379 77 GLY CA C 42.401 0.40 1 804 379 77 GLY N N 109.069 0.40 1 805 380 78 GLU H H 7.807 0.04 1 806 380 78 GLU HA H 3.998 0.04 1 807 380 78 GLU HB2 H 1.754 0.04 2 808 380 78 GLU HB3 H 1.906 0.04 2 809 380 78 GLU HG2 H 2.046 0.04 2 810 380 78 GLU HG3 H 2.046 0.04 2 811 380 78 GLU CA C 55.085 0.40 1 812 380 78 GLU CB C 28.264 0.40 1 813 380 78 GLU CG C 33.998 0.40 1 814 380 78 GLU N N 125.517 0.40 1 stop_ save_