data_16859 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the double PHD (plant homeodomain) fingers of human transcriptional protein DPF3b bound to a histone N-terminal H3 peptide ; _BMRB_accession_number 16859 _BMRB_flat_file_name bmr16859.str _Entry_type new _Submission_date 2010-04-13 _Accession_date 2010-04-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zeng Lei . . 2 Zhang Qiang . . 3 Li SiDe . . 4 Plotnikov Alexander N. . 5 Walsh Martin J. . 6 ZHOU MING-MING . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 716 "13C chemical shifts" 364 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-03 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16858 'DPF3b bound histone H3 acetylated lys 14' 16861 'DPF3b bound histone H4 acetylated lys 16' 16865 'DPF3b bound histone H4 acetylated serine 1' 16878 'DPF3b bound Histone H3 1-20Cys' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mechanism and regulation of acetylated histone binding by the tandem PHD finger of DPF3b' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20613843 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zeng Lei . . 2 Zhang Qiang . . 3 Li SiDe . . 4 Plotnikov Alexander N. . 5 Walsh Martin J. . 6 ZHOU MING-MING . . stop_ _Journal_abbreviation Nature _Journal_volume 466 _Journal_issue 7303 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 258 _Page_last 262 _Year 2010 _Details . loop_ _Keyword DPF3 PHD Histone H3 N-terminal stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'histone_N-terminal_H3/double_PHD_fingers complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label histone_N-terminal_H3 $histone_N-terminal_H3 double_PHD_fingers $double_PHD_fingers '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_histone_N-terminal_H3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common histone_N-terminal_H3 _Molecular_mass 2231.623 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 20 _Mol_residue_sequence ARTKQTARKSTGGXAPRKQL loop_ _Residue_seq_code _Residue_label 1 ALA 2 ARG 3 THR 4 LYS 5 GLN 6 THR 7 ALA 8 ARG 9 LYS 10 SER 11 THR 12 GLY 13 GLY 14 ALY 15 ALA 16 PRO 17 ARG 18 LYS 19 GLN 20 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16858 histone_H3_acet_lys_14 100.00 20 100.00 100.00 4.33e-02 PDB 1M1D "Tetrahymena Gcn5 With Bound Bisubstrate Analog Inhibitor" 100.00 20 100.00 100.00 4.33e-02 PDB 2KTB "Solution Structure Of The Second Bromodomain Of Human Polybr Complex With An Acetylated Peptide From Histone 3" 100.00 20 100.00 100.00 4.33e-02 PDB 2KWJ "Solution Structures Of The Double Phd Fingers Of Human Transcriptional Protein Dpf3 Bound To A Histone Peptide Containing Acety" 100.00 20 100.00 100.00 4.33e-02 PDB 3V43 "Crystal Structure Of Moz" 90.00 18 100.00 100.00 1.32e+00 PDB 4LLB "Crystal Structure Of Moz Double Phd Finger Histone H3k14ac Complex" 100.00 21 100.00 100.00 4.12e-02 GB AET74057 "histone H3 [Iturnoria insulana]" 85.00 117 100.00 100.00 1.91e+00 stop_ save_ save_double_PHD_fingers _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common double_PHD_fingers _Molecular_mass 12746.515 _Mol_thiol_state 'free and other bound' _Details . _Residue_count 114 _Mol_residue_sequence ; GSYCDFCLGGSNMNKKSGRP EELVSCADCGRSGHPTCLQF TLNMTEAVKTYKWQCIECKS CILCGTSENDDQLLFCDDCD RGYHMYCLNPPVAEPPEGSW SCHLCWELLKEKAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 259 GLY 2 260 SER 3 261 TYR 4 262 CYS 5 263 ASP 6 264 PHE 7 265 CYS 8 266 LEU 9 267 GLY 10 268 GLY 11 269 SER 12 270 ASN 13 271 MET 14 272 ASN 15 273 LYS 16 274 LYS 17 275 SER 18 276 GLY 19 277 ARG 20 278 PRO 21 279 GLU 22 280 GLU 23 281 LEU 24 282 VAL 25 283 SER 26 284 CYS 27 285 ALA 28 286 ASP 29 287 CYS 30 288 GLY 31 289 ARG 32 290 SER 33 291 GLY 34 292 HIS 35 293 PRO 36 294 THR 37 295 CYS 38 296 LEU 39 297 GLN 40 298 PHE 41 299 THR 42 300 LEU 43 301 ASN 44 302 MET 45 303 THR 46 304 GLU 47 305 ALA 48 306 VAL 49 307 LYS 50 308 THR 51 309 TYR 52 310 LYS 53 311 TRP 54 312 GLN 55 313 CYS 56 314 ILE 57 315 GLU 58 316 CYS 59 317 LYS 60 318 SER 61 319 CYS 62 320 ILE 63 321 LEU 64 322 CYS 65 323 GLY 66 324 THR 67 325 SER 68 326 GLU 69 327 ASN 70 328 ASP 71 329 ASP 72 330 GLN 73 331 LEU 74 332 LEU 75 333 PHE 76 334 CYS 77 335 ASP 78 336 ASP 79 337 CYS 80 338 ASP 81 339 ARG 82 340 GLY 83 341 TYR 84 342 HIS 85 343 MET 86 344 TYR 87 345 CYS 88 346 LEU 89 347 ASN 90 348 PRO 91 349 PRO 92 350 VAL 93 351 ALA 94 352 GLU 95 353 PRO 96 354 PRO 97 355 GLU 98 356 GLY 99 357 SER 100 358 TRP 101 359 SER 102 360 CYS 103 361 HIS 104 362 LEU 105 363 CYS 106 364 TRP 107 365 GLU 108 366 LEU 109 367 LEU 110 368 LYS 111 369 GLU 112 370 LYS 113 371 ALA 114 372 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16858 double_PHD_fingers 100.00 114 100.00 100.00 1.49e-77 BMRB 16861 double_PHD_fingers 100.00 114 100.00 100.00 1.49e-77 BMRB 16865 double_PHD_fingers 100.00 114 100.00 100.00 1.49e-77 PDB 2KWJ "Solution Structures Of The Double Phd Fingers Of Human Transcriptional Protein Dpf3 Bound To A Histone Peptide Containing Acety" 100.00 114 100.00 100.00 1.49e-77 PDB 2KWK "Solution Structures Of The Double Phd Fingers Of Human Transcriptional Protein Dpf3b Bound To A H3 Peptide Wild Type" 100.00 114 100.00 100.00 1.49e-77 PDB 2KWN "Solution Structure Of The Double Phd (plant Homeodomain) Fingers Of Human Transcriptional Protein Dpf3b Bound To A Histone H4 P" 100.00 114 100.00 100.00 1.49e-77 PDB 2KWO "Solution Structure Of The Double Phd (plant Homeodomain) Fingers Of Human Transcriptional Protein Dpf3b Bound To A Histone H4 P" 100.00 114 100.00 100.00 1.49e-77 DBJ BAC30204 "unnamed protein product [Mus musculus]" 99.12 378 99.12 100.00 6.85e-76 GB AAX20019 "DPF3 [Homo sapiens]" 99.12 378 99.12 100.00 6.64e-76 GB EDL02734 "D4, zinc and double PHD fingers, family 3, isoform CRA_a [Mus musculus]" 99.12 381 99.12 100.00 5.44e-76 GB EGV99590 "Zinc finger protein DPF3 [Cricetulus griseus]" 85.96 408 97.96 100.00 3.61e-63 GB EHH28015 "hypothetical protein EGK_18348, partial [Macaca mulatta]" 99.12 368 99.12 100.00 7.18e-76 GB EHH63746 "hypothetical protein EGM_16777, partial [Macaca fascicularis]" 99.12 363 99.12 100.00 8.09e-76 REF NP_001254554 "zinc finger protein DPF3 isoform 1 [Mus musculus]" 99.12 378 99.12 100.00 6.85e-76 REF NP_001267471 "zinc finger protein DPF3 isoform 2 [Homo sapiens]" 99.12 378 99.12 100.00 6.64e-76 REF XP_001140541 "PREDICTED: zinc finger protein DPF3 [Pan troglodytes]" 99.12 367 99.12 100.00 1.06e-75 REF XP_001254780 "PREDICTED: zinc finger protein DPF3 isoform X3 [Bos taurus]" 99.12 378 99.12 100.00 7.72e-76 REF XP_001375927 "PREDICTED: zinc finger protein DPF3 isoform X1 [Monodelphis domestica]" 99.12 384 98.23 100.00 7.53e-75 SP P58269 "RecName: Full=Zinc finger protein DPF3; AltName: Full=BRG1-associated factor 45C; Short=BAF45C; AltName: Full=Zinc finger prote" 99.12 378 99.12 100.00 6.85e-76 SP Q92784 "RecName: Full=Zinc finger protein DPF3; AltName: Full=BRG1-associated factor 45C; Short=BAF45C; AltName: Full=Zinc finger prote" 99.12 378 99.12 100.00 6.64e-76 TPG DAA25179 "TPA: Zinc finger protein DPF3-like [Bos taurus]" 99.12 474 99.12 100.00 4.08e-74 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ALY _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common N(6)-ACETYLLYSINE _BMRB_code . _PDB_code ALY _Standard_residue_derivative . _Molecular_mass 188.224 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:54:56 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OH OH O . 0 . ? CH CH C . 0 . ? CH3 CH3 C . 0 . ? NZ NZ N . 0 . ? CE CE C . 0 . ? CD CD C . 0 . ? CG CG C . 0 . ? CB CB C . 0 . ? CA CA C . 0 . ? N N N . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? HH31 HH31 H . 0 . ? HH32 HH32 H . 0 . ? HH33 HH33 H . 0 . ? HZ HZ H . 0 . ? HE3 HE3 H . 0 . ? HE2 HE2 H . 0 . ? HD3 HD3 H . 0 . ? HD2 HD2 H . 0 . ? HG3 HG3 H . 0 . ? HG2 HG2 H . 0 . ? HB3 HB3 H . 0 . ? HB2 HB2 H . 0 . ? HCA HCA H . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB OH CH ? ? SING CH CH3 ? ? SING CH NZ ? ? SING CH3 HH31 ? ? SING CH3 HH32 ? ? SING CH3 HH33 ? ? SING NZ CE ? ? SING NZ HZ ? ? SING CE CD ? ? SING CE HE3 ? ? SING CE HE2 ? ? SING CD CG ? ? SING CD HD3 ? ? SING CD HD2 ? ? SING CG CB ? ? SING CG HG3 ? ? SING CG HG2 ? ? SING CB CA ? ? SING CB HB3 ? ? SING CB HB2 ? ? SING CA N ? ? SING CA C ? ? SING CA HCA ? ? SING N H ? ? SING N H2 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? 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 no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; 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 'not present' _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 _Strain $histone_N-terminal_H3 Human 9606 Eukaryota Metazoa Homo sapiens BL21 $double_PHD_fingers 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 $histone_N-terminal_H3 'recombinant technology' . . . . pGEX4T-1 $double_PHD_fingers 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 100 mM 'natural abundance' DTT 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 100 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.04 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_13C-Edited_13C/15N-filtered_NOEST_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-Edited_13C/15N-filtered NOEST' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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 temperature 298 . K pH 6.5 . pH pressure 1 . atm 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 'methyl protons' ppm 4.73 internal direct . . . 1 water C 13 'methyl carbon' ppm 42 internal indirect . . . 1 water N 15 nitrogen ppm 118 internal indirect . . . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCACB' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name histone_N-terminal_H3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.200 . 1 2 1 1 ALA HB H 1.574 . 1 3 2 2 ARG H H 8.453 . 1 4 2 2 ARG HA H 4.516 . 1 5 2 2 ARG HB2 H 2.125 . 2 6 2 2 ARG HB3 H 1.721 . 2 7 2 2 ARG HD2 H 3.550 . 2 8 2 2 ARG HG2 H 1.779 . 2 9 2 2 ARG HG3 H 1.452 . 2 10 3 3 THR H H 8.344 . 1 11 3 3 THR HA H 4.453 . 1 12 3 3 THR HB H 4.260 . 1 13 3 3 THR HG2 H 1.165 . 1 14 4 4 LYS H H 8.492 . 1 15 4 4 LYS HA H 4.371 . 1 16 4 4 LYS HB2 H 1.963 . 2 17 4 4 LYS HD2 H 1.801 . 2 18 4 4 LYS HD3 H 1.749 . 2 19 4 4 LYS HE2 H 3.090 . 2 20 4 4 LYS HE3 H 3.030 . 2 21 4 4 LYS HG2 H 1.560 . 2 22 4 4 LYS HG3 H 1.485 . 2 23 5 5 GLN H H 8.492 . 1 24 5 5 GLN HA H 4.081 . 1 25 5 5 GLN HB2 H 1.980 . 2 26 5 5 GLN HB3 H 1.803 . 2 27 5 5 GLN HG2 H 2.410 . 2 28 5 5 GLN HG3 H 2.120 . 2 29 6 6 THR H H 8.296 . 1 30 6 6 THR HA H 4.391 . 1 31 6 6 THR HB H 4.107 . 1 32 6 6 THR HG2 H 1.285 . 1 33 7 7 ALA H H 8.398 . 1 34 7 7 ALA HA H 4.331 . 1 35 7 7 ALA HB H 1.454 . 1 36 8 8 ARG H H 8.374 . 1 37 8 8 ARG HA H 4.279 . 1 38 8 8 ARG HB2 H 2.127 . 2 39 8 8 ARG HB3 H 1.767 . 2 40 8 8 ARG HD2 H 3.202 . 2 41 8 8 ARG HE H 7.175 . 1 42 8 8 ARG HG2 H 1.657 . 2 43 9 9 LYS H H 8.429 . 1 44 9 9 LYS HA H 4.236 . 1 45 9 9 LYS HB2 H 1.881 . 2 46 9 9 LYS HB3 H 1.792 . 2 47 9 9 LYS HD2 H 1.628 . 2 48 9 9 LYS HD3 H 1.570 . 2 49 9 9 LYS HE2 H 3.230 . 2 50 9 9 LYS HG2 H 1.450 . 2 51 10 10 SER H H 8.534 . 1 52 10 10 SER HA H 4.560 . 1 53 10 10 SER HB2 H 3.797 . 2 54 10 10 SER HB3 H 3.633 . 2 55 11 11 THR H H 8.337 . 1 56 11 11 THR HA H 4.208 . 1 57 11 11 THR HB H 4.002 . 1 58 11 11 THR HG2 H 1.180 . 1 59 12 12 GLY H H 8.477 . 1 60 12 12 GLY HA2 H 4.011 . 2 61 13 13 GLY H H 8.335 . 1 62 13 13 GLY HA2 H 3.912 . 2 63 14 14 ALY H H 8.128 . 1 64 14 14 ALY HA H 4.289 . 1 65 14 14 ALY HB1 H 1.753 . 2 66 14 14 ALY HB2 H 1.673 . 2 67 14 14 ALY HD1 H 1.471 . 2 68 14 14 ALY HE1 H 3.126 . 2 69 14 14 ALY HG1 H 1.377 . 2 70 14 14 ALY HG2 H 1.306 . 2 71 14 14 ALY HZ1 H 7.950 . 1 72 15 15 ALA H H 8.042 . 1 73 15 15 ALA HA H 4.519 . 1 74 15 15 ALA HB H 2.231 . 1 75 16 16 PRO HA H 4.518 . 1 76 16 16 PRO HB2 H 2.291 . 2 77 16 16 PRO HB3 H 1.862 . 2 78 16 16 PRO HD2 H 3.835 . 2 79 16 16 PRO HD3 H 3.635 . 2 80 16 16 PRO HG2 H 2.023 . 2 81 16 16 PRO HG3 H 1.429 . 2 82 17 17 ARG H H 8.556 . 1 83 17 17 ARG HA H 4.291 . 1 84 17 17 ARG HB2 H 1.865 . 2 85 17 17 ARG HB3 H 1.786 . 2 86 17 17 ARG HD2 H 3.217 . 2 87 17 17 ARG HG2 H 1.680 . 2 88 18 18 LYS H H 8.040 . 1 89 18 18 LYS HA H 4.201 . 1 90 18 18 LYS HB2 H 1.968 . 2 91 18 18 LYS HB3 H 1.915 . 2 92 18 18 LYS HD2 H 1.696 . 2 93 18 18 LYS HE2 H 2.981 . 2 94 18 18 LYS HG2 H 1.559 . 2 95 18 18 LYS HG3 H 1.472 . 2 96 19 19 GLN H H 8.120 . 1 97 19 19 GLN HA H 4.401 . 1 98 19 19 GLN HB2 H 2.095 . 2 99 19 19 GLN HB3 H 1.962 . 2 100 19 19 GLN HG2 H 2.346 . 2 101 20 20 LEU H H 8.422 . 1 102 20 20 LEU HA H 4.268 . 1 103 20 20 LEU HD1 H 0.890 . 2 104 20 20 LEU HD2 H 0.856 . 4 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCACB' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name double_PHD_fingers _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 1 260 2 SER HA H 4.403 . 1 2 260 2 SER HB2 H 3.711 . 2 3 260 2 SER CA C 58.619 . 1 4 260 2 SER CB C 64.122 . 1 5 261 3 TYR H H 7.560 . 1 6 261 3 TYR HA H 4.709 . 1 7 261 3 TYR HB2 H 2.746 . 2 8 261 3 TYR HB3 H 2.530 . 2 9 261 3 TYR HD1 H 6.883 . 3 10 261 3 TYR HE1 H 6.800 . 3 11 261 3 TYR CA C 55.794 . 1 12 261 3 TYR CB C 41.112 . 1 13 261 3 TYR CD1 C 133.720 . 3 14 261 3 TYR CE1 C 117.980 . 3 15 261 3 TYR N N 117.690 . 1 16 262 4 CYS H H 8.875 . 1 17 262 4 CYS HA H 3.922 . 1 18 262 4 CYS HB2 H 3.431 . 2 19 262 4 CYS HB3 H 1.904 . 2 20 262 4 CYS CA C 58.354 . 1 21 262 4 CYS CB C 31.956 . 1 22 262 4 CYS N N 122.770 . 1 23 263 5 ASP H H 8.870 . 1 24 263 5 ASP HA H 4.454 . 1 25 263 5 ASP HB2 H 2.438 . 2 26 263 5 ASP HB3 H 2.235 . 2 27 263 5 ASP CA C 57.628 . 1 28 263 5 ASP CB C 42.308 . 1 29 263 5 ASP N N 113.140 . 1 30 264 6 PHE H H 8.987 . 1 31 264 6 PHE HA H 4.492 . 1 32 264 6 PHE HB2 H 3.301 . 2 33 264 6 PHE HB3 H 3.086 . 2 34 264 6 PHE HD1 H 7.402 . 3 35 264 6 PHE HE1 H 7.381 . 3 36 264 6 PHE HZ H 7.390 . 1 37 264 6 PHE CA C 60.545 . 1 38 264 6 PHE CB C 40.863 . 1 39 264 6 PHE CD1 C 131.920 . 3 40 264 6 PHE CE1 C 131.520 . 3 41 264 6 PHE CZ C 129.980 . 1 42 264 6 PHE N N 118.216 . 1 43 265 7 CYS H H 8.417 . 1 44 265 7 CYS HA H 4.983 . 1 45 265 7 CYS HB2 H 3.257 . 2 46 265 7 CYS HB3 H 3.052 . 2 47 265 7 CYS CA C 59.069 . 1 48 265 7 CYS CB C 33.028 . 1 49 265 7 CYS N N 117.440 . 1 50 266 8 LEU H H 8.173 . 1 51 266 8 LEU HA H 4.361 . 1 52 266 8 LEU HB2 H 2.207 . 2 53 266 8 LEU HB3 H 1.579 . 2 54 266 8 LEU HD1 H 0.839 . 2 55 266 8 LEU HD2 H 0.828 . 2 56 266 8 LEU HG H 1.425 . 1 57 266 8 LEU CA C 57.896 . 1 58 266 8 LEU CB C 38.973 . 1 59 266 8 LEU CD1 C 25.561 . 1 60 266 8 LEU CD2 C 23.165 . 1 61 266 8 LEU CG C 28.091 . 1 62 266 8 LEU N N 117.250 . 1 63 267 9 GLY H H 9.436 . 1 64 267 9 GLY HA2 H 4.573 . 2 65 267 9 GLY HA3 H 4.495 . 2 66 267 9 GLY CA C 44.474 . 1 67 267 9 GLY N N 111.640 . 1 68 268 10 GLY H H 8.474 . 1 69 268 10 GLY HA2 H 4.689 . 2 70 268 10 GLY HA3 H 4.090 . 2 71 268 10 GLY CA C 44.909 . 1 72 268 10 GLY N N 124.810 . 1 73 269 11 SER H H 9.221 . 1 74 269 11 SER HA H 5.001 . 1 75 269 11 SER HB2 H 3.923 . 2 76 269 11 SER HB3 H 3.815 . 2 77 269 11 SER CA C 60.249 . 1 78 269 11 SER CB C 63.160 . 1 79 269 11 SER N N 119.350 . 1 80 270 12 ASN H H 8.513 . 1 81 270 12 ASN HA H 4.472 . 1 82 270 12 ASN HB2 H 2.815 . 2 83 270 12 ASN HB3 H 2.796 . 2 84 270 12 ASN HD21 H 7.698 . 2 85 270 12 ASN HD22 H 6.993 . 2 86 270 12 ASN CA C 54.533 . 1 87 270 12 ASN CB C 38.184 . 1 88 270 12 ASN N N 117.000 . 1 89 270 12 ASN ND2 N 114.180 . 1 90 271 13 MET H H 7.210 . 1 91 271 13 MET HA H 4.017 . 1 92 271 13 MET HB2 H 2.016 . 2 93 271 13 MET HB3 H 1.812 . 2 94 271 13 MET HE H 1.981 . 1 95 271 13 MET HG2 H 2.399 . 2 96 271 13 MET HG3 H 1.784 . 2 97 271 13 MET CA C 56.768 . 1 98 271 13 MET CB C 32.627 . 1 99 271 13 MET CE C 16.238 . 1 100 271 13 MET CG C 31.593 . 1 101 271 13 MET N N 116.060 . 1 102 272 14 ASN H H 8.301 . 1 103 272 14 ASN HA H 4.192 . 1 104 272 14 ASN HB2 H 3.441 . 2 105 272 14 ASN HB3 H 1.381 . 2 106 272 14 ASN HD21 H 7.321 . 2 107 272 14 ASN HD22 H 6.438 . 2 108 272 14 ASN CA C 53.832 . 1 109 272 14 ASN CB C 37.975 . 1 110 272 14 ASN N N 110.880 . 1 111 272 14 ASN ND2 N 116.400 . 1 112 273 15 LYS H H 8.352 . 1 113 273 15 LYS HA H 3.995 . 1 114 273 15 LYS HB2 H 1.985 . 2 115 273 15 LYS HB3 H 1.795 . 2 116 273 15 LYS HD2 H 1.739 . 2 117 273 15 LYS HE2 H 2.984 . 2 118 273 15 LYS HG2 H 1.552 . 2 119 273 15 LYS HG3 H 1.361 . 2 120 273 15 LYS CA C 58.922 . 1 121 273 15 LYS CB C 32.680 . 1 122 273 15 LYS CD C 29.135 . 1 123 273 15 LYS CE C 42.289 . 1 124 273 15 LYS CG C 27.012 . 1 125 273 15 LYS N N 112.430 . 1 126 274 16 LYS H H 8.839 . 1 127 274 16 LYS HA H 4.301 . 1 128 274 16 LYS HB2 H 1.976 . 2 129 274 16 LYS HB3 H 1.896 . 2 130 274 16 LYS HD2 H 1.798 . 2 131 274 16 LYS HE2 H 2.983 . 2 132 274 16 LYS HG2 H 1.455 . 2 133 274 16 LYS HG3 H 1.369 . 2 134 274 16 LYS CA C 58.550 . 1 135 274 16 LYS CB C 32.758 . 1 136 274 16 LYS CD C 29.384 . 1 137 274 16 LYS CE C 42.518 . 1 138 274 16 LYS CG C 25.585 . 1 139 274 16 LYS N N 120.000 . 1 140 275 17 SER H H 7.710 . 1 141 275 17 SER HA H 4.343 . 1 142 275 17 SER HB2 H 3.854 . 2 143 275 17 SER HB3 H 3.645 . 2 144 275 17 SER CA C 58.534 . 1 145 275 17 SER CB C 65.342 . 1 146 275 17 SER N N 113.550 . 1 147 276 18 GLY H H 8.430 . 1 148 276 18 GLY HA2 H 4.030 . 2 149 276 18 GLY HA3 H 3.764 . 2 150 276 18 GLY CA C 46.840 . 1 151 276 18 GLY N N 111.710 . 1 152 277 19 ARG H H 7.710 . 1 153 277 19 ARG HA H 4.872 . 1 154 277 19 ARG HB2 H 1.804 . 2 155 277 19 ARG HB3 H 1.518 . 2 156 277 19 ARG HD2 H 3.138 . 2 157 277 19 ARG HG2 H 1.517 . 2 158 277 19 ARG CA C 53.374 . 1 159 277 19 ARG CB C 32.064 . 1 160 277 19 ARG CD C 43.746 . 1 161 277 19 ARG CG C 26.916 . 1 162 277 19 ARG N N 119.340 . 1 163 278 20 PRO HA H 3.930 . 1 164 278 20 PRO HB2 H 2.319 . 2 165 278 20 PRO HB3 H 1.817 . 2 166 278 20 PRO HD2 H 3.786 . 2 167 278 20 PRO HD3 H 3.574 . 2 168 278 20 PRO HG2 H 2.065 . 2 169 278 20 PRO CA C 64.328 . 1 170 278 20 PRO CB C 32.748 . 1 171 278 20 PRO CD C 51.219 . 1 172 278 20 PRO CG C 28.085 . 1 173 279 21 GLU H H 7.393 . 1 174 279 21 GLU HA H 4.212 . 1 175 279 21 GLU HB2 H 1.962 . 2 176 279 21 GLU HB3 H 1.518 . 2 177 279 21 GLU HG2 H 2.815 . 2 178 279 21 GLU HG3 H 2.427 . 2 179 279 21 GLU CA C 57.020 . 1 180 279 21 GLU CB C 32.753 . 1 181 279 21 GLU CG C 36.081 . 1 182 279 21 GLU N N 123.170 . 1 183 280 22 GLU H H 8.440 . 1 184 280 22 GLU HA H 4.149 . 1 185 280 22 GLU HB2 H 2.020 . 2 186 280 22 GLU HG2 H 2.229 . 2 187 280 22 GLU HG3 H 2.109 . 2 188 280 22 GLU CA C 57.101 . 1 189 280 22 GLU CB C 30.320 . 1 190 280 22 GLU CG C 36.381 . 1 191 280 22 GLU N N 123.870 . 1 192 281 23 LEU H H 7.981 . 1 193 281 23 LEU HA H 4.390 . 1 194 281 23 LEU HB2 H 1.485 . 2 195 281 23 LEU HB3 H 0.879 . 2 196 281 23 LEU HD1 H 0.538 . 2 197 281 23 LEU HD2 H -0.060 . 2 198 281 23 LEU HG H 1.242 . 1 199 281 23 LEU CA C 53.862 . 1 200 281 23 LEU CB C 44.744 . 1 201 281 23 LEU CD1 C 26.446 . 1 202 281 23 LEU CD2 C 23.402 . 1 203 281 23 LEU CG C 27.154 . 1 204 281 23 LEU N N 116.020 . 1 205 282 24 VAL H H 8.538 . 1 206 282 24 VAL HA H 4.213 . 1 207 282 24 VAL HB H 1.471 . 1 208 282 24 VAL HG1 H 0.317 . 2 209 282 24 VAL HG2 H 0.391 . 2 210 282 24 VAL CA C 61.424 . 1 211 282 24 VAL CB C 33.662 . 1 212 282 24 VAL CG1 C 21.204 . 1 213 282 24 VAL CG2 C 20.727 . 1 214 282 24 VAL N N 120.630 . 1 215 283 25 SER H H 8.452 . 1 216 283 25 SER HA H 5.412 . 1 217 283 25 SER HB2 H 3.524 . 2 218 283 25 SER HB3 H 3.421 . 2 219 283 25 SER CA C 57.433 . 1 220 283 25 SER CB C 66.293 . 1 221 283 25 SER N N 117.840 . 1 222 284 26 CYS H H 9.274 . 1 223 284 26 CYS HA H 4.315 . 1 224 284 26 CYS HB2 H 3.289 . 2 225 284 26 CYS HB3 H 2.768 . 2 226 284 26 CYS CA C 60.074 . 1 227 284 26 CYS CB C 31.279 . 1 228 284 26 CYS N N 111.470 . 1 229 285 27 ALA H H 9.041 . 1 230 285 27 ALA HA H 4.075 . 1 231 285 27 ALA HB H 1.381 . 1 232 285 27 ALA CA C 55.018 . 1 233 285 27 ALA CB C 20.188 . 1 234 285 27 ALA N N 117.580 . 1 235 286 28 ASP H H 8.891 . 1 236 286 28 ASP HA H 4.771 . 1 237 286 28 ASP HB2 H 3.020 . 2 238 286 28 ASP HB3 H 2.651 . 2 239 286 28 ASP CA C 56.915 . 1 240 286 28 ASP CB C 43.037 . 1 241 286 28 ASP N N 119.962 . 1 242 287 29 CYS H H 8.435 . 1 243 287 29 CYS HA H 4.919 . 1 244 287 29 CYS HB2 H 3.178 . 2 245 287 29 CYS HB3 H 2.552 . 2 246 287 29 CYS CA C 59.435 . 1 247 287 29 CYS CB C 33.435 . 1 248 287 29 CYS N N 119.213 . 1 249 288 30 GLY H H 7.620 . 1 250 288 30 GLY HA2 H 4.181 . 2 251 288 30 GLY HA3 H 3.860 . 2 252 288 30 GLY CA C 46.671 . 1 253 288 30 GLY N N 112.020 . 1 254 289 31 ARG H H 9.038 . 1 255 289 31 ARG HA H 4.143 . 1 256 289 31 ARG HB2 H 2.101 . 2 257 289 31 ARG HB3 H 1.819 . 2 258 289 31 ARG HD2 H 3.336 . 2 259 289 31 ARG HD3 H 3.308 . 2 260 289 31 ARG HG2 H 1.814 . 2 261 289 31 ARG HG3 H 1.637 . 2 262 289 31 ARG CA C 59.208 . 1 263 289 31 ARG CB C 31.311 . 1 264 289 31 ARG CD C 44.227 . 1 265 289 31 ARG CG C 28.651 . 1 266 289 31 ARG N N 125.690 . 1 267 290 32 SER H H 8.952 . 1 268 290 32 SER HA H 5.998 . 1 269 290 32 SER HB2 H 3.573 . 2 270 290 32 SER HB3 H 3.477 . 2 271 290 32 SER CA C 57.606 . 1 272 290 32 SER CB C 67.237 . 1 273 290 32 SER N N 116.345 . 1 274 291 33 GLY H H 8.713 . 1 275 291 33 GLY HA2 H 5.302 . 2 276 291 33 GLY HA3 H 3.441 . 2 277 291 33 GLY CA C 45.434 . 1 278 291 33 GLY N N 121.680 . 1 279 292 34 HIS H H 8.653 . 1 280 292 34 HIS HA H 5.140 . 1 281 292 34 HIS HB2 H 3.493 . 2 282 292 34 HIS HB3 H 3.226 . 2 283 292 34 HIS HD2 H 7.302 . 3 284 292 34 HIS HE1 H 7.466 . 3 285 292 34 HIS CA C 56.693 . 1 286 292 34 HIS CB C 30.804 . 1 287 292 34 HIS CD2 C 120.983 . 1 288 292 34 HIS CE1 C 138.498 . 1 289 292 34 HIS N N 123.180 . 1 290 293 35 PRO HA H 3.199 . 1 291 293 35 PRO HB2 H 2.414 . 2 292 293 35 PRO HB3 H 2.056 . 2 293 293 35 PRO HD2 H 4.231 . 2 294 293 35 PRO HD3 H 3.917 . 2 295 293 35 PRO HG2 H 2.251 . 2 296 293 35 PRO HG3 H 1.514 . 2 297 293 35 PRO CA C 66.997 . 1 298 293 35 PRO CB C 32.299 . 1 299 293 35 PRO CD C 51.886 . 1 300 293 35 PRO CG C 28.447 . 1 301 294 36 THR H H 9.703 . 1 302 294 36 THR HA H 4.113 . 1 303 294 36 THR HB H 4.069 . 1 304 294 36 THR HG2 H 1.334 . 1 305 294 36 THR CA C 66.724 . 1 306 294 36 THR CB C 69.157 . 1 307 294 36 THR CG2 C 21.706 . 1 308 294 36 THR N N 126.600 . 1 309 295 37 CYS H H 6.943 . 1 310 295 37 CYS HA H 3.882 . 1 311 295 37 CYS HB2 H 3.085 . 2 312 295 37 CYS HB3 H 2.851 . 2 313 295 37 CYS CA C 63.944 . 1 314 295 37 CYS CB C 30.056 . 1 315 295 37 CYS N N 125.700 . 1 316 296 38 LEU H H 7.636 . 1 317 296 38 LEU HA H 3.595 . 1 318 296 38 LEU HB2 H 1.035 . 2 319 296 38 LEU HB3 H 0.799 . 2 320 296 38 LEU HD1 H -0.037 . 2 321 296 38 LEU HD2 H 0.885 . 2 322 296 38 LEU HG H 1.043 . 1 323 296 38 LEU CA C 55.726 . 1 324 296 38 LEU CB C 42.793 . 1 325 296 38 LEU CD1 C 26.281 . 1 326 296 38 LEU CD2 C 24.080 . 1 327 296 38 LEU CG C 27.683 . 1 328 296 38 LEU N N 118.524 . 1 329 297 39 GLN H H 7.475 . 1 330 297 39 GLN HA H 3.784 . 1 331 297 39 GLN HB2 H 2.370 . 2 332 297 39 GLN HB3 H 2.231 . 2 333 297 39 GLN HE21 H 7.382 . 2 334 297 39 GLN HE22 H 6.690 . 2 335 297 39 GLN HG2 H 2.132 . 2 336 297 39 GLN CA C 56.972 . 1 337 297 39 GLN CB C 25.524 . 1 338 297 39 GLN CG C 34.662 . 1 339 297 39 GLN N N 111.440 . 1 340 297 39 GLN NE2 N 112.110 . 1 341 298 40 PHE H H 8.147 . 1 342 298 40 PHE HA H 4.962 . 1 343 298 40 PHE HB2 H 3.203 . 2 344 298 40 PHE HB3 H 2.819 . 2 345 298 40 PHE HD1 H 6.885 . 3 346 298 40 PHE HE1 H 6.919 . 3 347 298 40 PHE HE2 H 6.206 . 3 348 298 40 PHE HZ H 6.201 . 1 349 298 40 PHE CA C 55.476 . 1 350 298 40 PHE CB C 38.198 . 1 351 298 40 PHE CD1 C 128.870 . 3 352 298 40 PHE CE1 C 131.370 . 3 353 298 40 PHE CE2 C 129.350 . 3 354 298 40 PHE CZ C 129.351 . 1 355 298 40 PHE N N 118.690 . 1 356 299 41 THR H H 7.560 . 1 357 299 41 THR HA H 4.512 . 1 358 299 41 THR HB H 4.794 . 1 359 299 41 THR HG2 H 1.457 . 1 360 299 41 THR CA C 60.676 . 1 361 299 41 THR CB C 71.702 . 1 362 299 41 THR CG2 C 22.664 . 1 363 299 41 THR N N 112.275 . 1 364 300 42 LEU H H 8.829 . 1 365 300 42 LEU HA H 4.062 . 1 366 300 42 LEU HB2 H 1.730 . 2 367 300 42 LEU HB3 H 1.610 . 2 368 300 42 LEU HD1 H 0.935 . 2 369 300 42 LEU HD2 H 0.893 . 2 370 300 42 LEU HG H 1.702 . 1 371 300 42 LEU CA C 59.495 . 1 372 300 42 LEU CB C 41.873 . 1 373 300 42 LEU CD1 C 25.134 . 1 374 300 42 LEU CD2 C 24.365 . 1 375 300 42 LEU CG C 27.629 . 1 376 300 42 LEU N N 123.855 . 1 377 301 43 ASN H H 8.620 . 1 378 301 43 ASN HA H 4.422 . 1 379 301 43 ASN HB2 H 2.934 . 2 380 301 43 ASN HB3 H 2.801 . 2 381 301 43 ASN HD21 H 7.801 . 2 382 301 43 ASN HD22 H 6.913 . 2 383 301 43 ASN CA C 56.513 . 1 384 301 43 ASN CB C 38.019 . 1 385 301 43 ASN N N 116.460 . 1 386 301 43 ASN ND2 N 113.016 . 1 387 302 44 MET H H 7.587 . 1 388 302 44 MET HA H 3.848 . 1 389 302 44 MET HB2 H 1.782 . 2 390 302 44 MET HB3 H 1.345 . 2 391 302 44 MET HE H 1.886 . 1 392 302 44 MET HG2 H 2.017 . 2 393 302 44 MET HG3 H 1.455 . 2 394 302 44 MET CA C 59.602 . 1 395 302 44 MET CB C 34.659 . 1 396 302 44 MET CE C 17.850 . 1 397 302 44 MET CG C 32.703 . 1 398 302 44 MET N N 121.630 . 1 399 303 45 THR H H 7.923 . 1 400 303 45 THR HA H 3.602 . 1 401 303 45 THR HB H 4.396 . 1 402 303 45 THR HG2 H 1.149 . 1 403 303 45 THR CA C 67.992 . 1 404 303 45 THR CB C 68.900 . 1 405 303 45 THR CG2 C 22.590 . 1 406 303 45 THR N N 114.915 . 1 407 304 46 GLU H H 7.296 . 1 408 304 46 GLU HA H 4.099 . 1 409 304 46 GLU HB2 H 2.027 . 2 410 304 46 GLU HB3 H 2.001 . 2 411 304 46 GLU HG2 H 2.355 . 2 412 304 46 GLU HG3 H 2.274 . 2 413 304 46 GLU CA C 58.817 . 1 414 304 46 GLU CB C 30.064 . 1 415 304 46 GLU CG C 36.480 . 1 416 304 46 GLU N N 116.270 . 1 417 305 47 ALA H H 8.126 . 1 418 305 47 ALA HA H 4.206 . 1 419 305 47 ALA HB H 1.615 . 1 420 305 47 ALA CA C 56.018 . 1 421 305 47 ALA CB C 19.806 . 1 422 305 47 ALA N N 122.710 . 1 423 306 48 VAL H H 8.343 . 1 424 306 48 VAL HA H 4.019 . 1 425 306 48 VAL HB H 2.052 . 1 426 306 48 VAL HG1 H 0.645 . 2 427 306 48 VAL HG2 H 0.706 . 2 428 306 48 VAL CA C 65.261 . 1 429 306 48 VAL CB C 31.273 . 1 430 306 48 VAL CG1 C 21.730 . 1 431 306 48 VAL CG2 C 19.756 . 1 432 306 48 VAL N N 112.950 . 1 433 307 49 LYS H H 6.985 . 1 434 307 49 LYS HA H 4.281 . 1 435 307 49 LYS HB2 H 2.054 . 2 436 307 49 LYS HB3 H 1.819 . 2 437 307 49 LYS HD2 H 1.695 . 2 438 307 49 LYS HE2 H 2.910 . 2 439 307 49 LYS HE3 H 2.902 . 2 440 307 49 LYS HG2 H 1.711 . 2 441 307 49 LYS HG3 H 1.446 . 2 442 307 49 LYS CA C 57.982 . 1 443 307 49 LYS CB C 33.049 . 1 444 307 49 LYS CD C 30.093 . 1 445 307 49 LYS CE C 42.346 . 1 446 307 49 LYS CG C 26.263 . 1 447 307 49 LYS N N 115.880 . 1 448 308 50 THR H H 8.040 . 1 449 308 50 THR HA H 4.550 . 1 450 308 50 THR HB H 4.601 . 1 451 308 50 THR HG2 H 1.309 . 1 452 308 50 THR CA C 62.517 . 1 453 308 50 THR CB C 72.031 . 1 454 308 50 THR CG2 C 21.899 . 1 455 308 50 THR N N 123.400 . 1 456 309 51 TYR H H 7.654 . 1 457 309 51 TYR HA H 4.925 . 1 458 309 51 TYR HB2 H 3.126 . 2 459 309 51 TYR HB3 H 2.951 . 2 460 309 51 TYR HD1 H 6.974 . 3 461 309 51 TYR HE1 H 6.737 . 3 462 309 51 TYR CA C 56.024 . 1 463 309 51 TYR CB C 40.147 . 1 464 309 51 TYR CD1 C 134.450 . 3 465 309 51 TYR CE1 C 117.350 . 3 466 309 51 TYR N N 120.165 . 1 467 310 52 LYS H H 8.261 . 1 468 310 52 LYS HA H 4.340 . 1 469 310 52 LYS HB2 H 1.840 . 2 470 310 52 LYS HB3 H 1.558 . 2 471 310 52 LYS HD2 H 1.693 . 2 472 310 52 LYS HE2 H 2.982 . 2 473 310 52 LYS HG2 H 1.573 . 2 474 310 52 LYS HG3 H 1.372 . 2 475 310 52 LYS CA C 55.698 . 1 476 310 52 LYS CB C 30.735 . 1 477 310 52 LYS CD C 29.585 . 1 478 310 52 LYS CE C 42.516 . 1 479 310 52 LYS CG C 25.296 . 1 480 310 52 LYS N N 119.910 . 1 481 311 53 TRP H H 7.557 . 1 482 311 53 TRP HA H 3.973 . 1 483 311 53 TRP HB2 H 2.963 . 2 484 311 53 TRP HB3 H 2.577 . 2 485 311 53 TRP HD1 H 7.299 . 1 486 311 53 TRP HE1 H 11.660 . 3 487 311 53 TRP HE3 H 7.037 . 3 488 311 53 TRP HH2 H 6.904 . 1 489 311 53 TRP HZ2 H 7.552 . 3 490 311 53 TRP HZ3 H 6.635 . 3 491 311 53 TRP CA C 59.784 . 1 492 311 53 TRP CB C 29.361 . 1 493 311 53 TRP CD1 C 127.100 . 3 494 311 53 TRP CE3 C 120.318 . 3 495 311 53 TRP CH2 C 123.830 . 1 496 311 53 TRP CZ2 C 114.270 . 3 497 311 53 TRP CZ3 C 120.011 . 3 498 311 53 TRP N N 113.510 . 1 499 311 53 TRP NE1 N 115.600 . 1 500 312 54 GLN H H 7.406 . 1 501 312 54 GLN HA H 5.004 . 1 502 312 54 GLN HB2 H 1.562 . 2 503 312 54 GLN HB3 H 1.390 . 2 504 312 54 GLN HE21 H 8.590 . 2 505 312 54 GLN HE22 H 6.610 . 2 506 312 54 GLN HG2 H 2.162 . 2 507 312 54 GLN HG3 H 2.088 . 2 508 312 54 GLN CA C 52.834 . 1 509 312 54 GLN CB C 34.879 . 1 510 312 54 GLN CG C 33.681 . 1 511 312 54 GLN N N 124.220 . 1 512 312 54 GLN NE2 N 118.240 . 1 513 313 55 CYS H H 8.845 . 1 514 313 55 CYS HA H 3.891 . 1 515 313 55 CYS HB2 H 3.436 . 2 516 313 55 CYS HB3 H 2.506 . 2 517 313 55 CYS CA C 57.903 . 1 518 313 55 CYS CB C 31.415 . 1 519 313 55 CYS N N 120.608 . 1 520 314 56 ILE H H 8.290 . 1 521 314 56 ILE HA H 3.452 . 1 522 314 56 ILE HB H 1.958 . 1 523 314 56 ILE HD1 H 1.029 . 1 524 314 56 ILE HG12 H 1.841 . 1 525 314 56 ILE HG13 H 1.270 . 1 526 314 56 ILE HG2 H 1.047 . 2 527 314 56 ILE CA C 66.069 . 1 528 314 56 ILE CB C 38.959 . 1 529 314 56 ILE CD1 C 14.998 . 1 530 314 56 ILE CG1 C 29.854 . 2 531 314 56 ILE CG2 C 18.546 . 1 532 314 56 ILE N N 114.930 . 1 533 315 57 GLU H H 7.760 . 1 534 315 57 GLU HA H 4.078 . 1 535 315 57 GLU HB2 H 2.061 . 2 536 315 57 GLU HB3 H 2.017 . 2 537 315 57 GLU HG2 H 2.346 . 2 538 315 57 GLU HG3 H 2.270 . 2 539 315 57 GLU CA C 59.567 . 1 540 315 57 GLU CB C 30.566 . 1 541 315 57 GLU CG C 36.997 . 1 542 315 57 GLU N N 116.260 . 1 543 316 58 CYS H H 8.204 . 1 544 316 58 CYS HA H 3.887 . 1 545 316 58 CYS HB2 H 3.046 . 2 546 316 58 CYS HB3 H 2.517 . 2 547 316 58 CYS CA C 62.219 . 1 548 316 58 CYS CB C 31.265 . 1 549 316 58 CYS N N 123.100 . 1 550 317 59 LYS H H 7.369 . 1 551 317 59 LYS HA H 3.268 . 1 552 317 59 LYS HB2 H 1.472 . 2 553 317 59 LYS HB3 H 1.321 . 2 554 317 59 LYS HD2 H 1.250 . 2 555 317 59 LYS HE2 H 1.784 . 2 556 317 59 LYS HE3 H 1.494 . 2 557 317 59 LYS HG2 H 1.251 . 2 558 317 59 LYS HG3 H 1.087 . 2 559 317 59 LYS CA C 58.373 . 1 560 317 59 LYS CB C 32.060 . 1 561 317 59 LYS CD C 28.880 . 1 562 317 59 LYS CE C 40.873 . 1 563 317 59 LYS CG C 23.618 . 1 564 317 59 LYS N N 117.470 . 1 565 318 60 SER H H 8.014 . 1 566 318 60 SER HA H 4.403 . 1 567 318 60 SER HB2 H 3.518 . 2 568 318 60 SER HB3 H 3.413 . 2 569 318 60 SER CA C 55.518 . 1 570 318 60 SER CB C 66.044 . 1 571 318 60 SER N N 119.600 . 1 572 319 61 CYS H H 7.993 . 1 573 319 61 CYS HA H 3.931 . 1 574 319 61 CYS HB2 H 3.303 . 2 575 319 61 CYS HB3 H 1.665 . 2 576 319 61 CYS CA C 58.181 . 1 577 319 61 CYS CB C 32.218 . 1 578 319 61 CYS N N 121.860 . 1 579 320 62 ILE H H 8.690 . 1 580 320 62 ILE HA H 3.973 . 1 581 320 62 ILE HB H 1.877 . 1 582 320 62 ILE HD1 H 0.816 . 1 583 320 62 ILE HG12 H 1.303 . 1 584 320 62 ILE HG13 H 1.174 . 1 585 320 62 ILE HG2 H 0.719 . 2 586 320 62 ILE CA C 61.524 . 1 587 320 62 ILE CB C 38.487 . 1 588 320 62 ILE CD1 C 12.552 . 1 589 320 62 ILE CG1 C 28.442 . 2 590 320 62 ILE CG2 C 19.053 . 1 591 320 62 ILE N N 113.650 . 1 592 321 63 LEU H H 8.600 . 1 593 321 63 LEU HA H 4.491 . 1 594 321 63 LEU HB2 H 1.962 . 2 595 321 63 LEU HB3 H 1.687 . 2 596 321 63 LEU HD1 H 1.118 . 2 597 321 63 LEU HD2 H 1.088 . 2 598 321 63 LEU HG H 1.956 . 1 599 321 63 LEU CA C 57.461 . 1 600 321 63 LEU CB C 42.792 . 1 601 321 63 LEU CD1 C 27.459 . 1 602 321 63 LEU CD2 C 22.950 . 1 603 321 63 LEU CG C 27.907 . 1 604 321 63 LEU N N 121.930 . 1 605 322 64 CYS H H 8.229 . 1 606 322 64 CYS HA H 5.121 . 1 607 322 64 CYS HB2 H 3.331 . 2 608 322 64 CYS HB3 H 3.148 . 2 609 322 64 CYS CA C 59.093 . 1 610 322 64 CYS CB C 32.020 . 1 611 322 64 CYS N N 117.284 . 1 612 323 65 GLY H H 8.193 . 1 613 323 65 GLY HA2 H 4.198 . 2 614 323 65 GLY HA3 H 3.997 . 2 615 323 65 GLY CA C 46.681 . 1 616 323 65 GLY N N 113.065 . 1 617 324 66 THR H H 8.512 . 1 618 324 66 THR HA H 5.047 . 1 619 324 66 THR HB H 4.611 . 1 620 324 66 THR HG2 H 1.329 . 1 621 324 66 THR CA C 61.251 . 1 622 324 66 THR CB C 72.031 . 1 623 324 66 THR CG2 C 21.698 . 1 624 324 66 THR N N 113.014 . 1 625 325 67 SER H H 8.987 . 1 626 325 67 SER HA H 4.674 . 1 627 325 67 SER HB2 H 3.890 . 2 628 325 67 SER HB3 H 3.785 . 2 629 325 67 SER CA C 56.719 . 1 630 325 67 SER CB C 63.908 . 1 631 325 67 SER N N 114.927 . 1 632 326 68 GLU H H 7.388 . 1 633 326 68 GLU HA H 4.367 . 1 634 326 68 GLU HB2 H 2.097 . 2 635 326 68 GLU HB3 H 1.833 . 2 636 326 68 GLU HG2 H 2.323 . 2 637 326 68 GLU HG3 H 2.233 . 2 638 326 68 GLU CA C 56.376 . 1 639 326 68 GLU CB C 31.503 . 1 640 326 68 GLU CG C 36.365 . 1 641 326 68 GLU N N 118.713 . 1 642 327 69 ASN H H 9.216 . 1 643 327 69 ASN HA H 4.547 . 1 644 327 69 ASN HB2 H 3.168 . 2 645 327 69 ASN HB3 H 2.804 . 2 646 327 69 ASN HD21 H 7.669 . 2 647 327 69 ASN HD22 H 6.936 . 2 648 327 69 ASN CA C 54.839 . 1 649 327 69 ASN CB C 37.954 . 1 650 327 69 ASN N N 116.026 . 1 651 327 69 ASN ND2 N 115.050 . 1 652 328 70 ASP H H 8.791 . 1 653 328 70 ASP HA H 4.088 . 1 654 328 70 ASP HB2 H 2.722 . 2 655 328 70 ASP CA C 57.922 . 1 656 328 70 ASP CB C 40.392 . 1 657 328 70 ASP N N 119.000 . 1 658 329 71 ASP H H 9.025 . 1 659 329 71 ASP HA H 4.327 . 1 660 329 71 ASP HB2 H 2.718 . 2 661 329 71 ASP HB3 H 2.634 . 2 662 329 71 ASP CA C 55.338 . 1 663 329 71 ASP CB C 39.907 . 1 664 329 71 ASP N N 116.390 . 1 665 330 72 GLN H H 8.444 . 1 666 330 72 GLN HA H 4.672 . 1 667 330 72 GLN HB2 H 2.787 . 2 668 330 72 GLN HB3 H 2.103 . 2 669 330 72 GLN HE21 H 7.586 . 2 670 330 72 GLN HE22 H 6.656 . 2 671 330 72 GLN HG2 H 2.335 . 2 672 330 72 GLN CA C 54.968 . 1 673 330 72 GLN CB C 31.353 . 1 674 330 72 GLN CG C 34.395 . 1 675 330 72 GLN N N 116.896 . 1 676 330 72 GLN NE2 N 111.438 . 1 677 331 73 LEU H H 7.092 . 1 678 331 73 LEU HA H 4.278 . 1 679 331 73 LEU HB2 H 1.727 . 2 680 331 73 LEU HB3 H 1.292 . 2 681 331 73 LEU HD1 H 0.463 . 2 682 331 73 LEU HD2 H 0.367 . 2 683 331 73 LEU HG H 1.200 . 1 684 331 73 LEU CA C 55.274 . 1 685 331 73 LEU CB C 43.279 . 1 686 331 73 LEU CD1 C 25.747 . 1 687 331 73 LEU CD2 C 25.485 . 1 688 331 73 LEU CG C 28.397 . 1 689 331 73 LEU N N 124.290 . 1 690 332 74 LEU H H 8.380 . 1 691 332 74 LEU HA H 4.403 . 1 692 332 74 LEU HB2 H 1.227 . 2 693 332 74 LEU HB3 H 0.987 . 2 694 332 74 LEU HD1 H -0.291 . 2 695 332 74 LEU HD2 H 0.035 . 2 696 332 74 LEU HG H 1.094 . 1 697 332 74 LEU CA C 55.036 . 1 698 332 74 LEU CB C 45.448 . 1 699 332 74 LEU CD1 C 24.988 . 1 700 332 74 LEU CD2 C 23.810 . 1 701 332 74 LEU CG C 27.035 . 1 702 332 74 LEU N N 126.080 . 1 703 333 75 PHE H H 8.006 . 1 704 333 75 PHE HA H 5.786 . 1 705 333 75 PHE HB2 H 3.084 . 2 706 333 75 PHE HB3 H 2.924 . 2 707 333 75 PHE HD1 H 7.096 . 3 708 333 75 PHE HE1 H 6.994 . 3 709 333 75 PHE HZ H 6.986 . 1 710 333 75 PHE CA C 52.856 . 1 711 333 75 PHE CB C 40.146 . 1 712 333 75 PHE CD1 C 130.270 . 3 713 333 75 PHE CE1 C 130.507 . 3 714 333 75 PHE CZ C 128.240 . 1 715 333 75 PHE N N 119.220 . 1 716 334 76 CYS H H 9.460 . 1 717 334 76 CYS HA H 4.863 . 1 718 334 76 CYS HB2 H 3.640 . 2 719 334 76 CYS HB3 H 2.972 . 2 720 334 76 CYS CA C 61.010 . 1 721 334 76 CYS CB C 31.758 . 1 722 334 76 CYS N N 125.290 . 1 723 335 77 ASP H H 9.693 . 1 724 335 77 ASP HA H 4.841 . 1 725 335 77 ASP HB2 H 2.934 . 2 726 335 77 ASP HB3 H 2.656 . 2 727 335 77 ASP CA C 58.413 . 1 728 335 77 ASP CB C 41.850 . 1 729 335 77 ASP N N 114.040 . 1 730 336 78 ASP H H 9.805 . 1 731 336 78 ASP HA H 4.991 . 1 732 336 78 ASP HB2 H 2.768 . 2 733 336 78 ASP HB3 H 2.563 . 2 734 336 78 ASP CA C 57.163 . 1 735 336 78 ASP CB C 46.131 . 1 736 336 78 ASP N N 123.200 . 1 737 337 79 CYS H H 8.348 . 1 738 337 79 CYS HA H 4.815 . 1 739 337 79 CYS HB2 H 2.922 . 2 740 337 79 CYS HB3 H 2.468 . 2 741 337 79 CYS CA C 59.325 . 1 742 337 79 CYS CB C 34.349 . 1 743 337 79 CYS N N 117.370 . 1 744 338 80 ASP H H 8.523 . 1 745 338 80 ASP HA H 5.178 . 1 746 338 80 ASP HB2 H 3.065 . 2 747 338 80 ASP HB3 H 2.281 . 2 748 338 80 ASP CA C 57.479 . 1 749 338 80 ASP CB C 46.378 . 1 750 338 80 ASP N N 125.880 . 1 751 339 81 ARG H H 8.862 . 1 752 339 81 ARG HA H 4.040 . 1 753 339 81 ARG HB2 H 1.763 . 2 754 339 81 ARG HB3 H 1.275 . 2 755 339 81 ARG HD2 H 2.986 . 2 756 339 81 ARG HD3 H 2.603 . 2 757 339 81 ARG HG2 H 1.587 . 2 758 339 81 ARG HG3 H 0.971 . 2 759 339 81 ARG CA C 59.089 . 1 760 339 81 ARG CB C 32.720 . 1 761 339 81 ARG CD C 44.950 . 1 762 339 81 ARG CG C 32.029 . 1 763 339 81 ARG N N 120.850 . 1 764 340 82 GLY H H 9.172 . 1 765 340 82 GLY HA2 H 5.517 . 2 766 340 82 GLY HA3 H 2.834 . 2 767 340 82 GLY CA C 44.564 . 1 768 340 82 GLY N N 123.940 . 1 769 341 83 TYR H H 9.132 . 1 770 341 83 TYR HA H 5.331 . 1 771 341 83 TYR HB2 H 2.647 . 2 772 341 83 TYR HD1 H 7.188 . 3 773 341 83 TYR HE1 H 6.747 . 3 774 341 83 TYR CA C 56.691 . 1 775 341 83 TYR CB C 44.240 . 1 776 341 83 TYR CD1 C 133.480 . 3 777 341 83 TYR CE1 C 119.970 . 3 778 341 83 TYR N N 119.230 . 1 779 342 84 HIS H H 9.620 . 1 780 342 84 HIS HA H 4.865 . 1 781 342 84 HIS HB2 H 3.256 . 2 782 342 84 HIS HB3 H 1.455 . 2 783 342 84 HIS HD2 H 6.640 . 3 784 342 84 HIS HE1 H 7.304 . 3 785 342 84 HIS CA C 59.353 . 1 786 342 84 HIS CB C 30.816 . 1 787 342 84 HIS CD2 C 117.800 . 1 788 342 84 HIS CE1 C 138.880 . 1 789 342 84 HIS N N 123.680 . 1 790 343 85 MET H H 9.117 . 1 791 343 85 MET HA H 3.641 . 1 792 343 85 MET HB2 H 2.793 . 2 793 343 85 MET HB3 H 1.978 . 2 794 343 85 MET HE H 1.905 . 1 795 343 85 MET HG2 H 2.469 . 2 796 343 85 MET HG3 H 2.101 . 2 797 343 85 MET CA C 60.578 . 1 798 343 85 MET CB C 34.127 . 1 799 343 85 MET CE C 17.101 . 1 800 343 85 MET CG C 33.443 . 1 801 343 85 MET N N 121.400 . 1 802 344 86 TYR H H 6.267 . 1 803 344 86 TYR HA H 4.690 . 1 804 344 86 TYR HB2 H 3.387 . 2 805 344 86 TYR HB3 H 2.891 . 2 806 344 86 TYR HD1 H 7.134 . 3 807 344 86 TYR HE1 H 6.492 . 3 808 344 86 TYR CA C 56.508 . 1 809 344 86 TYR CB C 37.499 . 1 810 344 86 TYR CD1 C 134.400 . 3 811 344 86 TYR CE1 C 118.590 . 3 812 344 86 TYR N N 123.020 . 1 813 345 87 CYS H H 7.249 . 1 814 345 87 CYS HA H 4.363 . 1 815 345 87 CYS HB2 H 3.267 . 2 816 345 87 CYS HB3 H 2.811 . 2 817 345 87 CYS CA C 62.716 . 1 818 345 87 CYS CB C 31.533 . 1 819 345 87 CYS N N 122.760 . 1 820 346 88 LEU H H 6.454 . 1 821 346 88 LEU HA H 3.890 . 1 822 346 88 LEU HB2 H 1.715 . 2 823 346 88 LEU HB3 H 1.419 . 2 824 346 88 LEU HD1 H 0.758 . 2 825 346 88 LEU HD2 H 0.807 . 2 826 346 88 LEU HG H 1.813 . 1 827 346 88 LEU CA C 55.754 . 1 828 346 88 LEU CB C 44.440 . 1 829 346 88 LEU CD1 C 27.216 . 1 830 346 88 LEU CD2 C 23.828 . 1 831 346 88 LEU CG C 27.215 . 1 832 346 88 LEU N N 119.169 . 1 833 347 89 ASN H H 8.002 . 1 834 347 89 ASN HA H 4.915 . 1 835 347 89 ASN HB2 H 2.803 . 2 836 347 89 ASN HB3 H 2.555 . 2 837 347 89 ASN HD21 H 7.561 . 2 838 347 89 ASN HD22 H 6.810 . 2 839 347 89 ASN CA C 49.782 . 1 840 347 89 ASN CB C 41.367 . 1 841 347 89 ASN N N 115.830 . 1 842 347 89 ASN ND2 N 112.002 . 1 843 348 90 PRO HA H 5.039 . 1 844 348 90 PRO HB2 H 2.418 . 2 845 348 90 PRO HB3 H 2.049 . 2 846 348 90 PRO HD2 H 3.549 . 2 847 348 90 PRO HD3 H 3.452 . 2 848 348 90 PRO HG2 H 1.910 . 2 849 348 90 PRO CA C 62.703 . 1 850 348 90 PRO CB C 33.449 . 1 851 348 90 PRO CD C 50.693 . 1 852 348 90 PRO CG C 25.833 . 1 853 349 91 PRO HA H 4.426 . 1 854 349 91 PRO HB2 H 2.290 . 2 855 349 91 PRO HB3 H 1.823 . 2 856 349 91 PRO HD2 H 3.772 . 2 857 349 91 PRO HD3 H 3.661 . 2 858 349 91 PRO HG2 H 2.117 . 2 859 349 91 PRO HG3 H 1.981 . 2 860 349 91 PRO CA C 63.656 . 1 861 349 91 PRO CB C 32.937 . 1 862 349 91 PRO CD C 50.654 . 1 863 349 91 PRO CG C 27.930 . 1 864 350 92 VAL H H 7.626 . 1 865 350 92 VAL HA H 4.157 . 1 866 350 92 VAL HB H 1.687 . 1 867 350 92 VAL HG1 H 0.781 . 2 868 350 92 VAL HG2 H 0.828 . 2 869 350 92 VAL CA C 61.435 . 1 870 350 92 VAL CB C 34.455 . 1 871 350 92 VAL CG1 C 22.388 . 1 872 350 92 VAL CG2 C 22.399 . 1 873 350 92 VAL N N 120.100 . 1 874 351 93 ALA H H 8.589 . 1 875 351 93 ALA HA H 4.227 . 1 876 351 93 ALA HB H 1.408 . 1 877 351 93 ALA CA C 54.091 . 1 878 351 93 ALA CB C 20.472 . 1 879 351 93 ALA N N 111.225 . 1 880 352 94 GLU H H 7.324 . 1 881 352 94 GLU HA H 4.675 . 1 882 352 94 GLU HB2 H 1.956 . 2 883 352 94 GLU HB3 H 1.788 . 2 884 352 94 GLU HG2 H 2.111 . 2 885 352 94 GLU HG3 H 2.053 . 2 886 352 94 GLU CA C 53.414 . 1 887 352 94 GLU CB C 31.571 . 1 888 352 94 GLU CG C 35.600 . 1 889 352 94 GLU N N 114.820 . 1 890 353 95 PRO HA H 4.225 . 1 891 353 95 PRO HB2 H 1.827 . 2 892 353 95 PRO HD2 H 3.660 . 2 893 353 95 PRO HD3 H 3.602 . 2 894 353 95 PRO HG2 H 2.115 . 2 895 353 95 PRO HG3 H 1.843 . 2 896 353 95 PRO CA C 61.518 . 1 897 353 95 PRO CB C 31.283 . 1 898 353 95 PRO CD C 50.899 . 1 899 353 95 PRO CG C 28.318 . 1 900 354 96 PRO HA H 4.408 . 1 901 354 96 PRO HB2 H 2.418 . 2 902 354 96 PRO HB3 H 1.940 . 2 903 354 96 PRO HD2 H 3.669 . 2 904 354 96 PRO HD3 H 3.125 . 2 905 354 96 PRO HG2 H 2.043 . 2 906 354 96 PRO HG3 H 2.002 . 2 907 354 96 PRO CA C 63.185 . 1 908 354 96 PRO CB C 32.679 . 1 909 354 96 PRO CD C 50.950 . 1 910 354 96 PRO CG C 28.034 . 1 911 355 97 GLU H H 8.611 . 1 912 355 97 GLU HA H 4.121 . 1 913 355 97 GLU HB2 H 1.996 . 2 914 355 97 GLU HG2 H 2.332 . 2 915 355 97 GLU HG3 H 2.254 . 2 916 355 97 GLU CA C 58.292 . 1 917 355 97 GLU CB C 30.615 . 1 918 355 97 GLU CG C 36.753 . 1 919 355 97 GLU N N 121.917 . 1 920 356 98 GLY H H 8.374 . 1 921 356 98 GLY HA2 H 4.172 . 2 922 356 98 GLY HA3 H 3.917 . 2 923 356 98 GLY CA C 44.458 . 1 924 356 98 GLY N N 125.870 . 1 925 357 99 SER H H 8.229 . 1 926 357 99 SER HA H 4.584 . 1 927 357 99 SER HB2 H 3.856 . 2 928 357 99 SER CA C 59.129 . 1 929 357 99 SER CB C 64.525 . 1 930 357 99 SER N N 115.980 . 1 931 358 100 TRP H H 9.492 . 1 932 358 100 TRP HA H 4.672 . 1 933 358 100 TRP HB2 H 3.567 . 2 934 358 100 TRP HB3 H 2.868 . 2 935 358 100 TRP HD1 H 7.294 . 1 936 358 100 TRP HE1 H 9.875 . 3 937 358 100 TRP HE3 H 7.536 . 3 938 358 100 TRP HH2 H 6.342 . 1 939 358 100 TRP HZ2 H 7.107 . 3 940 358 100 TRP HZ3 H 6.802 . 3 941 358 100 TRP CA C 59.808 . 1 942 358 100 TRP CB C 31.946 . 1 943 358 100 TRP CD1 C 125.960 . 3 944 358 100 TRP CE3 C 121.420 . 3 945 358 100 TRP CH2 C 122.880 . 1 946 358 100 TRP CZ2 C 114.440 . 3 947 358 100 TRP CZ3 C 119.676 . 3 948 358 100 TRP N N 110.540 . 1 949 358 100 TRP NE1 N 112.370 . 1 950 359 101 SER H H 7.053 . 1 951 359 101 SER HA H 5.276 . 1 952 359 101 SER HB2 H 3.320 . 2 953 359 101 SER HB3 H 3.185 . 2 954 359 101 SER CA C 55.947 . 1 955 359 101 SER CB C 65.295 . 1 956 359 101 SER N N 121.470 . 1 957 360 102 CYS H H 9.208 . 1 958 360 102 CYS HA H 3.654 . 1 959 360 102 CYS HB2 H 2.650 . 2 960 360 102 CYS HB3 H 2.381 . 2 961 360 102 CYS CA C 57.667 . 1 962 360 102 CYS CB C 34.936 . 1 963 360 102 CYS N N 111.303 . 1 964 361 103 HIS H H 8.091 . 1 965 361 103 HIS HA H 4.164 . 1 966 361 103 HIS HB2 H 3.148 . 2 967 361 103 HIS HB3 H 3.054 . 2 968 361 103 HIS HD2 H 7.031 . 3 969 361 103 HIS HE1 H 7.759 . 3 970 361 103 HIS CA C 59.301 . 1 971 361 103 HIS CB C 29.897 . 1 972 361 103 HIS CD2 C 119.045 . 1 973 361 103 HIS CE1 C 137.740 . 1 974 361 103 HIS N N 115.760 . 1 975 362 104 LEU H H 6.791 . 1 976 362 104 LEU HA H 4.074 . 1 977 362 104 LEU HB2 H 1.768 . 2 978 362 104 LEU HB3 H 1.390 . 2 979 362 104 LEU HD1 H 0.743 . 2 980 362 104 LEU HD2 H 0.743 . 2 981 362 104 LEU HG H 1.291 . 1 982 362 104 LEU CA C 58.009 . 1 983 362 104 LEU CB C 42.278 . 1 984 362 104 LEU CD1 C 25.257 . 1 985 362 104 LEU CD2 C 23.164 . 1 986 362 104 LEU CG C 27.005 . 1 987 362 104 LEU N N 117.040 . 1 988 363 105 CYS H H 7.852 . 1 989 363 105 CYS HA H 3.837 . 1 990 363 105 CYS HB2 H 2.674 . 2 991 363 105 CYS CA C 64.737 . 1 992 363 105 CYS CB C 28.913 . 1 993 363 105 CYS N N 123.897 . 1 994 364 106 TRP H H 8.167 . 1 995 364 106 TRP HA H 4.191 . 1 996 364 106 TRP HB2 H 3.162 . 2 997 364 106 TRP HD1 H 7.055 . 1 998 364 106 TRP HE1 H 9.939 . 3 999 364 106 TRP HE3 H 7.478 . 3 1000 364 106 TRP HH2 H 7.179 . 1 1001 364 106 TRP HZ2 H 7.432 . 3 1002 364 106 TRP HZ3 H 7.088 . 3 1003 364 106 TRP CA C 60.747 . 1 1004 364 106 TRP CB C 29.592 . 1 1005 364 106 TRP CD1 C 127.180 . 3 1006 364 106 TRP CE3 C 120.838 . 3 1007 364 106 TRP CH2 C 124.446 . 1 1008 364 106 TRP CZ2 C 114.407 . 3 1009 364 106 TRP CZ3 C 121.879 . 3 1010 364 106 TRP N N 121.129 . 1 1011 364 106 TRP NE1 N 112.730 . 1 1012 365 107 GLU H H 7.757 . 1 1013 365 107 GLU HA H 3.820 . 1 1014 365 107 GLU HB2 H 1.988 . 2 1015 365 107 GLU HG2 H 2.239 . 2 1016 365 107 GLU HG3 H 2.217 . 2 1017 365 107 GLU CA C 59.074 . 1 1018 365 107 GLU CB C 30.078 . 1 1019 365 107 GLU CG C 36.775 . 1 1020 365 107 GLU N N 117.878 . 1 1021 366 108 LEU H H 7.479 . 1 1022 366 108 LEU HA H 4.088 . 1 1023 366 108 LEU HB2 H 1.664 . 2 1024 366 108 LEU HB3 H 1.527 . 2 1025 366 108 LEU HD1 H 0.850 . 2 1026 366 108 LEU HD2 H 0.814 . 2 1027 366 108 LEU HG H 1.611 . 1 1028 366 108 LEU CA C 57.222 . 1 1029 366 108 LEU CB C 42.811 . 1 1030 366 108 LEU CD1 C 25.412 . 1 1031 366 108 LEU CD2 C 24.062 . 1 1032 366 108 LEU CG C 27.282 . 1 1033 366 108 LEU N N 119.100 . 1 1034 367 109 LEU H H 7.798 . 1 1035 367 109 LEU HA H 4.097 . 1 1036 367 109 LEU HB2 H 1.585 . 2 1037 367 109 LEU HB3 H 1.435 . 2 1038 367 109 LEU HD1 H 0.722 . 2 1039 367 109 LEU HD2 H 0.731 . 2 1040 367 109 LEU HG H 1.560 . 1 1041 367 109 LEU CA C 56.529 . 1 1042 367 109 LEU CB C 42.493 . 1 1043 367 109 LEU CD1 C 25.328 . 1 1044 367 109 LEU CD2 C 23.587 . 1 1045 367 109 LEU CG C 27.268 . 1 1046 367 109 LEU N N 119.208 . 1 1047 368 110 LYS H H 7.642 . 1 1048 368 110 LYS HA H 3.956 . 1 1049 368 110 LYS HB2 H 1.556 . 2 1050 368 110 LYS HD2 H 1.419 . 2 1051 368 110 LYS HE2 H 2.770 . 2 1052 368 110 LYS HG2 H 1.198 . 2 1053 368 110 LYS CA C 57.721 . 1 1054 368 110 LYS CB C 32.791 . 1 1055 368 110 LYS CD C 29.361 . 1 1056 368 110 LYS CE C 42.313 . 1 1057 368 110 LYS CG C 24.879 . 1 1058 368 110 LYS N N 119.733 . 1 1059 369 111 GLU H H 7.963 . 1 1060 369 111 GLU HA H 4.155 . 1 1061 369 111 GLU HB2 H 2.029 . 2 1062 369 111 GLU HB3 H 1.921 . 2 1063 369 111 GLU HG2 H 2.263 . 2 1064 369 111 GLU HG3 H 2.190 . 2 1065 369 111 GLU CA C 57.367 . 1 1066 369 111 GLU CB C 30.245 . 1 1067 369 111 GLU CG C 36.706 . 1 1068 369 111 GLU N N 120.110 . 1 1069 370 112 LYS H H 7.992 . 1 1070 370 112 LYS HA H 4.253 . 1 1071 370 112 LYS HB2 H 1.831 . 2 1072 370 112 LYS HB3 H 1.743 . 2 1073 370 112 LYS HD2 H 1.620 . 2 1074 370 112 LYS HE2 H 2.916 . 2 1075 370 112 LYS HG2 H 1.426 . 2 1076 370 112 LYS CA C 56.747 . 1 1077 370 112 LYS CB C 33.434 . 1 1078 370 112 LYS CD C 29.513 . 1 1079 370 112 LYS CE C 42.362 . 1 1080 370 112 LYS CG C 25.301 . 1 1081 370 112 LYS N N 121.270 . 1 1082 371 113 ALA H H 8.130 . 1 1083 371 113 ALA HA H 4.343 . 1 1084 371 113 ALA HB H 1.389 . 1 1085 371 113 ALA CA C 52.962 . 1 1086 371 113 ALA CB C 19.907 . 1 1087 371 113 ALA N N 125.610 . 1 1088 372 114 SER H H 7.869 . 1 1089 372 114 SER HA H 4.217 . 1 1090 372 114 SER HB2 H 3.824 . 2 1091 372 114 SER CA C 60.466 . 1 1092 372 114 SER CB C 65.320 . 1 1093 372 114 SER N N 120.910 . 1 stop_ save_