data_16858 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structures of the double PHD fingers of human transcriptional protein DPF3b bound to a histone H3 peptide containing acetylation at lysine 14 ; _BMRB_accession_number 16858 _BMRB_flat_file_name bmr16858.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 'Multivalent Histone Modulation of Transcription by the Tandem PHD finger of Human DPF3b' 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" 712 "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 16859 'DPF3b bound histone N-terminal H3' 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 'Acetyl Lysine' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'histone_H3_acet_lys_14/double_PHD_fingers complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label histone_H3_acet_lys_14 $histone_H3_acet_lys_14 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_H3_acet_lys_14 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common histone_H3_acet_lys_14 _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 16859 histone_N-terminal_H3 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_label 1 GLY 2 SER 3 TYR 4 CYS 5 ASP 6 PHE 7 CYS 8 LEU 9 GLY 10 GLY 11 SER 12 ASN 13 MET 14 ASN 15 LYS 16 LYS 17 SER 18 GLY 19 ARG 20 PRO 21 GLU 22 GLU 23 LEU 24 VAL 25 SER 26 CYS 27 ALA 28 ASP 29 CYS 30 GLY 31 ARG 32 SER 33 GLY 34 HIS 35 PRO 36 THR 37 CYS 38 LEU 39 GLN 40 PHE 41 THR 42 LEU 43 ASN 44 MET 45 THR 46 GLU 47 ALA 48 VAL 49 LYS 50 THR 51 TYR 52 LYS 53 TRP 54 GLN 55 CYS 56 ILE 57 GLU 58 CYS 59 LYS 60 SER 61 CYS 62 ILE 63 LEU 64 CYS 65 GLY 66 THR 67 SER 68 GLU 69 ASN 70 ASP 71 ASP 72 GLN 73 LEU 74 LEU 75 PHE 76 CYS 77 ASP 78 ASP 79 CYS 80 ASP 81 ARG 82 GLY 83 TYR 84 HIS 85 MET 86 TYR 87 CYS 88 LEU 89 ASN 90 PRO 91 PRO 92 VAL 93 ALA 94 GLU 95 PRO 96 PRO 97 GLU 98 GLY 99 SER 100 TRP 101 SER 102 CYS 103 HIS 104 LEU 105 CYS 106 TRP 107 GLU 108 LEU 109 LEU 110 LYS 111 GLU 112 LYS 113 ALA 114 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 16859 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 . _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 No _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_H3_acet_lys_14 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_H3_acet_lys_14 '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' D2O 100 % '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 protons ppm 4.73 internal direct . . . 1 water C 13 'methyl carbons' 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_H3_acet_lys_14 _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 4.331 0.04 1 2 1 1 ALA HB H 1.586 0.04 1 3 2 2 ARG H H 8.453 0.04 1 4 2 2 ARG HA H 4.516 0.04 1 5 2 2 ARG HB2 H 2.125 0.04 2 6 2 2 ARG HB3 H 1.721 0.04 2 7 2 2 ARG HD2 H 3.550 0.04 2 8 2 2 ARG HG2 H 1.779 0.04 2 9 2 2 ARG HG3 H 1.452 0.04 2 10 3 3 THR H H 8.344 0.04 1 11 3 3 THR HA H 5.125 0.04 1 12 3 3 THR HB H 4.327 0.04 1 13 3 3 THR HG2 H 0.932 0.04 1 14 4 4 LYS H H 8.492 0.04 1 15 4 4 LYS HA H 4.345 0.04 1 16 4 4 LYS HB2 H 2.110 0.04 2 17 4 4 LYS HB3 H 1.798 0.04 2 18 4 4 LYS HD2 H 1.762 0.04 2 19 4 4 LYS HE2 H 3.320 0.04 2 20 4 4 LYS HE3 H 3.094 0.04 2 21 4 4 LYS HG2 H 1.448 0.04 2 22 4 4 LYS HG3 H 1.367 0.04 2 23 5 5 GLN H H 8.492 0.04 1 24 5 5 GLN HA H 4.066 0.04 1 25 5 5 GLN HB2 H 1.969 0.04 2 26 5 5 GLN HB3 H 1.813 0.04 2 27 5 5 GLN HG2 H 2.370 0.04 2 28 5 5 GLN HG3 H 2.176 0.04 2 29 6 6 THR H H 8.296 0.04 1 30 6 6 THR HA H 4.391 0.04 1 31 6 6 THR HB H 4.107 0.04 1 32 6 6 THR HG2 H 1.285 0.04 1 33 7 7 ALA H H 8.398 0.04 1 34 7 7 ALA HA H 4.331 0.04 1 35 7 7 ALA HB H 1.454 0.04 1 36 8 8 ARG H H 8.374 0.04 1 37 8 8 ARG HA H 4.279 0.04 1 38 8 8 ARG HB2 H 2.127 0.04 2 39 8 8 ARG HB3 H 1.767 0.04 2 40 8 8 ARG HD2 H 3.202 0.04 2 41 8 8 ARG HE H 7.175 0.04 1 42 8 8 ARG HG2 H 1.657 0.04 2 43 9 9 LYS H H 8.429 0.04 1 44 9 9 LYS HA H 4.119 0.04 1 45 9 9 LYS HB2 H 1.881 0.04 2 46 9 9 LYS HB3 H 1.708 0.04 2 47 9 9 LYS HD2 H 1.652 0.04 2 48 9 9 LYS HE2 H 3.190 0.04 2 49 9 9 LYS HE3 H 3.091 0.04 2 50 9 9 LYS HG2 H 1.443 0.04 2 51 10 10 SER H H 8.534 0.04 1 52 10 10 SER HA H 4.560 0.04 1 53 10 10 SER HB2 H 3.797 0.04 2 54 10 10 SER HB3 H 3.633 0.04 2 55 11 11 THR H H 8.337 0.04 1 56 11 11 THR HA H 4.208 0.04 1 57 11 11 THR HB H 4.002 0.04 1 58 11 11 THR HG2 H 1.180 0.04 1 59 12 12 GLY H H 8.477 0.04 1 60 12 12 GLY HA2 H 4.011 0.04 2 61 13 13 GLY H H 8.335 0.04 1 62 13 13 GLY HA2 H 3.912 0.04 2 63 14 14 ALY H H 8.128 0.04 1 64 14 14 ALY HA H 4.289 0.04 1 65 14 14 ALY HB1 H 1.753 0.04 2 66 14 14 ALY HB2 H 1.673 0.04 2 67 14 14 ALY HD1 H 1.471 0.04 2 68 14 14 ALY HE1 H 3.126 0.04 2 69 14 14 ALY HG1 H 1.377 0.04 2 70 14 14 ALY HG2 H 1.306 0.04 2 71 14 14 ALY HZ1 H 7.950 0.04 1 72 15 15 ALA H H 8.042 0.04 1 73 15 15 ALA HA H 4.519 0.04 1 74 15 15 ALA HB H 1.427 0.04 1 75 16 16 PRO HA H 4.518 0.04 1 76 16 16 PRO HB2 H 2.291 0.04 2 77 16 16 PRO HB3 H 1.862 0.04 2 78 16 16 PRO HD2 H 3.835 0.04 2 79 16 16 PRO HD3 H 3.635 0.04 2 80 16 16 PRO HG2 H 2.023 0.04 2 81 16 16 PRO HG3 H 1.429 0.04 2 82 17 17 ARG H H 8.556 0.04 1 83 17 17 ARG HA H 4.291 0.04 1 84 17 17 ARG HB2 H 1.865 0.04 2 85 17 17 ARG HB3 H 1.786 0.04 2 86 17 17 ARG HD2 H 3.217 0.04 2 87 17 17 ARG HG2 H 1.680 0.04 2 88 18 18 LYS H H 8.040 0.04 1 89 18 18 LYS HA H 4.201 0.04 1 90 18 18 LYS HB2 H 1.968 0.04 2 91 18 18 LYS HB3 H 1.915 0.04 2 92 18 18 LYS HD2 H 1.696 0.04 2 93 18 18 LYS HE2 H 2.981 0.04 2 94 18 18 LYS HG2 H 1.559 0.04 2 95 18 18 LYS HG3 H 1.472 0.04 2 96 19 19 GLN H H 8.120 0.04 1 97 19 19 GLN HA H 4.401 0.04 1 98 19 19 GLN HB2 H 2.095 0.04 2 99 19 19 GLN HB3 H 1.962 0.04 2 100 19 19 GLN HG2 H 2.346 0.04 2 101 20 20 LEU H H 8.422 0.04 1 102 20 20 LEU HA H 4.268 0.04 1 103 20 20 LEU HD1 H 0.890 0.04 2 104 20 20 LEU HD2 H 0.856 0.04 1 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 4.445 0.04 1 2 260 2 SER HB2 H 3.737 0.04 2 3 260 2 SER CA C 58.440 0.40 1 4 260 2 SER CB C 63.920 0.40 1 5 261 3 TYR H H 7.560 0.04 1 6 261 3 TYR HA H 4.770 0.04 1 7 261 3 TYR HB2 H 2.763 0.04 2 8 261 3 TYR HB3 H 2.541 0.04 2 9 261 3 TYR HD1 H 6.885 0.04 3 10 261 3 TYR HE1 H 6.813 0.04 3 11 261 3 TYR CA C 55.790 0.40 1 12 261 3 TYR CB C 40.950 0.40 1 13 261 3 TYR CD1 C 133.720 0.40 3 14 261 3 TYR CE1 C 117.980 0.40 3 15 261 3 TYR N N 117.690 0.40 1 16 262 4 CYS H H 8.875 0.04 1 17 262 4 CYS HA H 3.953 0.04 1 18 262 4 CYS HB2 H 3.440 0.04 2 19 262 4 CYS HB3 H 1.903 0.04 2 20 262 4 CYS CA C 57.960 0.40 1 21 262 4 CYS CB C 31.650 0.40 1 22 262 4 CYS N N 122.770 0.40 1 23 263 5 ASP H H 8.870 0.04 1 24 263 5 ASP HA H 4.533 0.04 1 25 263 5 ASP HB2 H 2.203 0.04 2 26 263 5 ASP CA C 57.570 0.40 1 27 263 5 ASP CB C 42.360 0.40 1 28 263 5 ASP N N 113.140 0.40 1 29 264 6 PHE H H 8.987 0.04 1 30 264 6 PHE HA H 4.593 0.04 1 31 264 6 PHE HB2 H 3.395 0.04 2 32 264 6 PHE HB3 H 3.032 0.04 2 33 264 6 PHE HD1 H 7.319 0.04 3 34 264 6 PHE HE1 H 7.225 0.04 3 35 264 6 PHE HZ H 7.228 0.04 1 36 264 6 PHE CA C 60.480 0.40 1 37 264 6 PHE CB C 40.535 0.40 1 38 264 6 PHE CD1 C 131.920 0.40 3 39 264 6 PHE CE1 C 131.520 0.40 3 40 264 6 PHE CZ C 129.980 0.40 1 41 264 6 PHE N N 118.216 0.40 1 42 265 7 CYS H H 8.417 0.04 1 43 265 7 CYS HA H 5.053 0.04 1 44 265 7 CYS HB2 H 3.280 0.04 2 45 265 7 CYS HB3 H 3.037 0.04 2 46 265 7 CYS CA C 58.920 0.40 1 47 265 7 CYS CB C 32.603 0.40 1 48 265 7 CYS N N 117.440 0.40 1 49 266 8 LEU H H 8.173 0.04 1 50 266 8 LEU HA H 4.400 0.04 1 51 266 8 LEU HB2 H 2.262 0.04 2 52 266 8 LEU HB3 H 1.604 0.04 2 53 266 8 LEU HD1 H 0.846 0.04 2 54 266 8 LEU HD2 H 0.822 0.04 2 55 266 8 LEU HG H 1.449 0.04 1 56 266 8 LEU CA C 57.800 0.40 1 57 266 8 LEU CB C 38.910 0.40 1 58 266 8 LEU CD1 C 25.770 0.40 1 59 266 8 LEU CD2 C 23.370 0.40 1 60 266 8 LEU CG C 27.920 0.40 1 61 266 8 LEU N N 117.250 0.40 1 62 267 9 GLY H H 9.436 0.04 1 63 267 9 GLY HA2 H 4.581 0.04 2 64 267 9 GLY HA3 H 4.522 0.04 2 65 267 9 GLY CA C 44.390 0.40 1 66 267 9 GLY N N 111.640 0.40 1 67 268 10 GLY H H 8.474 0.04 1 68 268 10 GLY HA2 H 4.720 0.04 2 69 268 10 GLY HA3 H 4.110 0.04 2 70 268 10 GLY CA C 44.690 0.40 1 71 268 10 GLY N N 124.810 0.40 1 72 269 11 SER H H 9.221 0.04 1 73 269 11 SER HA H 5.051 0.04 1 74 269 11 SER HB2 H 3.930 0.04 2 75 269 11 SER HB3 H 3.820 0.04 2 76 269 11 SER CA C 60.070 0.40 1 77 269 11 SER CB C 63.150 0.40 1 78 269 11 SER N N 119.350 0.40 1 79 270 12 ASN H H 8.513 0.04 1 80 270 12 ASN HA H 4.445 0.04 1 81 270 12 ASN HB2 H 2.829 0.04 2 82 270 12 ASN HB3 H 2.788 0.04 2 83 270 12 ASN HD21 H 7.698 0.04 2 84 270 12 ASN HD22 H 6.993 0.04 2 85 270 12 ASN CA C 54.560 0.40 1 86 270 12 ASN CB C 37.830 0.40 1 87 270 12 ASN N N 117.000 0.40 1 88 270 12 ASN ND2 N 114.180 0.40 1 89 271 13 MET H H 7.210 0.04 1 90 271 13 MET HA H 4.010 0.04 1 91 271 13 MET HB2 H 2.034 0.04 2 92 271 13 MET HB3 H 1.820 0.04 2 93 271 13 MET HE H 1.981 0.04 1 94 271 13 MET HG2 H 2.407 0.04 2 95 271 13 MET HG3 H 1.771 0.04 2 96 271 13 MET CA C 56.780 0.40 1 97 271 13 MET CB C 32.480 0.40 1 98 271 13 MET CE C 16.180 0.40 1 99 271 13 MET CG C 31.520 0.40 1 100 271 13 MET N N 116.060 0.40 1 101 272 14 ASN H H 8.301 0.04 1 102 272 14 ASN HA H 4.205 0.04 1 103 272 14 ASN HB2 H 3.457 0.04 2 104 272 14 ASN HB3 H 1.353 0.04 2 105 272 14 ASN HD21 H 7.321 0.04 2 106 272 14 ASN HD22 H 6.438 0.04 2 107 272 14 ASN CA C 53.980 0.40 1 108 272 14 ASN CB C 37.640 0.40 1 109 272 14 ASN N N 110.880 0.40 1 110 272 14 ASN ND2 N 116.400 0.40 1 111 273 15 LYS H H 8.352 0.04 1 112 273 15 LYS HA H 4.010 0.04 1 113 273 15 LYS HB2 H 2.013 0.04 2 114 273 15 LYS HB3 H 1.801 0.04 2 115 273 15 LYS HD2 H 1.752 0.04 2 116 273 15 LYS HE2 H 3.000 0.04 2 117 273 15 LYS HG2 H 1.571 0.04 2 118 273 15 LYS HG3 H 1.374 0.04 2 119 273 15 LYS CA C 58.930 0.40 1 120 273 15 LYS CB C 32.480 0.40 1 121 273 15 LYS CD C 29.130 0.40 1 122 273 15 LYS CE C 42.309 0.40 1 123 273 15 LYS CG C 26.968 0.40 1 124 273 15 LYS N N 112.430 0.40 1 125 274 16 LYS H H 8.839 0.04 1 126 274 16 LYS HA H 4.310 0.04 1 127 274 16 LYS HB2 H 1.931 0.04 2 128 274 16 LYS HD2 H 1.846 0.04 2 129 274 16 LYS HE2 H 2.985 0.04 2 130 274 16 LYS HG2 H 1.456 0.04 2 131 274 16 LYS HG3 H 1.381 0.04 2 132 274 16 LYS CA C 58.520 0.40 1 133 274 16 LYS CB C 32.430 0.40 1 134 274 16 LYS CD C 29.370 0.40 1 135 274 16 LYS CE C 42.790 0.40 1 136 274 16 LYS CG C 25.530 0.40 1 137 274 16 LYS N N 120.000 0.40 1 138 275 17 SER H H 7.710 0.04 1 139 275 17 SER HA H 4.340 0.04 1 140 275 17 SER HB2 H 3.870 0.04 2 141 275 17 SER HB3 H 3.660 0.04 2 142 275 17 SER CA C 58.580 0.40 1 143 275 17 SER CB C 65.180 0.40 1 144 275 17 SER N N 113.550 0.40 1 145 276 18 GLY H H 8.430 0.04 1 146 276 18 GLY HA2 H 4.038 0.04 2 147 276 18 GLY HA3 H 3.774 0.04 2 148 276 18 GLY CA C 46.710 0.40 1 149 276 18 GLY N N 111.710 0.40 1 150 277 19 ARG H H 7.710 0.04 1 151 277 19 ARG HA H 4.889 0.04 1 152 277 19 ARG HB2 H 1.812 0.04 2 153 277 19 ARG HB3 H 1.524 0.04 2 154 277 19 ARG HD2 H 3.140 0.04 2 155 277 19 ARG HG2 H 1.512 0.04 2 156 277 19 ARG CA C 53.400 0.40 1 157 277 19 ARG CB C 32.240 0.40 1 158 277 19 ARG CD C 43.750 0.40 1 159 277 19 ARG CG C 26.970 0.40 1 160 277 19 ARG N N 119.340 0.40 1 161 278 20 PRO HA H 3.916 0.04 1 162 278 20 PRO HB2 H 2.330 0.04 2 163 278 20 PRO HB3 H 1.810 0.04 2 164 278 20 PRO HD2 H 3.794 0.04 2 165 278 20 PRO HD3 H 3.573 0.04 2 166 278 20 PRO HG2 H 2.066 0.04 2 167 278 20 PRO CA C 64.020 0.40 1 168 278 20 PRO CB C 32.640 0.40 1 169 278 20 PRO CD C 51.170 0.40 1 170 278 20 PRO CG C 28.080 0.40 1 171 279 21 GLU H H 7.393 0.04 1 172 279 21 GLU HA H 4.207 0.04 1 173 279 21 GLU HB2 H 1.966 0.04 2 174 279 21 GLU HB3 H 1.491 0.04 2 175 279 21 GLU HG2 H 2.883 0.04 2 176 279 21 GLU HG3 H 2.441 0.04 2 177 279 21 GLU CA C 56.920 0.40 1 178 279 21 GLU CB C 32.463 0.40 1 179 279 21 GLU CG C 36.080 0.40 1 180 279 21 GLU N N 123.170 0.40 1 181 280 22 GLU H H 8.440 0.04 1 182 280 22 GLU HA H 4.162 0.04 1 183 280 22 GLU HB2 H 2.040 0.04 2 184 280 22 GLU HG2 H 2.230 0.04 2 185 280 22 GLU HG3 H 2.060 0.04 2 186 280 22 GLU CA C 56.953 0.40 1 187 280 22 GLU CB C 30.320 0.40 1 188 280 22 GLU CG C 36.320 0.40 1 189 280 22 GLU N N 123.870 0.40 1 190 281 23 LEU H H 7.981 0.04 1 191 281 23 LEU HA H 4.409 0.04 1 192 281 23 LEU HB2 H 1.484 0.04 2 193 281 23 LEU HB3 H 0.859 0.04 2 194 281 23 LEU HD1 H 0.522 0.04 2 195 281 23 LEU HD2 H -0.087 0.04 2 196 281 23 LEU HG H 1.231 0.04 1 197 281 23 LEU CA C 53.900 0.40 1 198 281 23 LEU CB C 44.520 0.40 1 199 281 23 LEU CD1 C 26.490 0.40 1 200 281 23 LEU CD2 C 23.370 0.40 1 201 281 23 LEU CG C 27.210 0.40 1 202 281 23 LEU N N 116.020 0.40 1 203 282 24 VAL H H 8.506 0.04 1 204 282 24 VAL HA H 4.234 0.04 1 205 282 24 VAL HB H 1.465 0.04 1 206 282 24 VAL HG1 H 0.303 0.04 2 207 282 24 VAL HG2 H 0.334 0.04 2 208 282 24 VAL CA C 61.300 0.40 1 209 282 24 VAL CB C 33.600 0.40 1 210 282 24 VAL CG1 C 21.100 0.40 1 211 282 24 VAL CG2 C 20.490 0.40 1 212 282 24 VAL N N 120.630 0.40 1 213 283 25 SER H H 8.452 0.04 1 214 283 25 SER HA H 5.378 0.04 1 215 283 25 SER HB2 H 3.500 0.04 2 216 283 25 SER HB3 H 3.425 0.04 2 217 283 25 SER CA C 57.420 0.40 1 218 283 25 SER CB C 66.350 0.40 1 219 283 25 SER N N 117.840 0.40 1 220 284 26 CYS H H 9.356 0.04 1 221 284 26 CYS HA H 4.314 0.04 1 222 284 26 CYS HB2 H 3.304 0.04 2 223 284 26 CYS HB3 H 2.765 0.04 2 224 284 26 CYS CA C 59.820 0.40 1 225 284 26 CYS CB C 31.060 0.40 1 226 284 26 CYS N N 111.470 0.40 1 227 285 27 ALA H H 9.083 0.04 1 228 285 27 ALA HA H 4.092 0.04 1 229 285 27 ALA HB H 1.383 0.04 1 230 285 27 ALA CA C 55.050 0.40 1 231 285 27 ALA CB C 19.950 0.40 1 232 285 27 ALA N N 117.580 0.40 1 233 286 28 ASP H H 8.891 0.04 1 234 286 28 ASP HA H 4.751 0.04 1 235 286 28 ASP HB2 H 3.030 0.04 2 236 286 28 ASP HB3 H 2.650 0.04 2 237 286 28 ASP CA C 56.860 0.40 1 238 286 28 ASP CB C 42.710 0.40 1 239 286 28 ASP N N 119.962 0.40 1 240 287 29 CYS H H 8.435 0.04 1 241 287 29 CYS HA H 4.966 0.04 1 242 287 29 CYS HB2 H 3.170 0.04 2 243 287 29 CYS HB3 H 2.541 0.04 2 244 287 29 CYS CA C 59.364 0.40 1 245 287 29 CYS CB C 32.996 0.40 1 246 287 29 CYS N N 119.213 0.40 1 247 288 30 GLY H H 7.620 0.04 1 248 288 30 GLY HA2 H 4.220 0.04 2 249 288 30 GLY HA3 H 3.852 0.04 2 250 288 30 GLY CA C 46.640 0.40 1 251 288 30 GLY N N 112.020 0.40 1 252 289 31 ARG H H 9.032 0.04 1 253 289 31 ARG HA H 4.100 0.04 1 254 289 31 ARG HB2 H 1.979 0.04 2 255 289 31 ARG HB3 H 1.826 0.04 2 256 289 31 ARG HD2 H 3.480 0.04 2 257 289 31 ARG HD3 H 3.211 0.04 2 258 289 31 ARG HG2 H 2.004 0.04 2 259 289 31 ARG HG3 H 1.742 0.04 2 260 289 31 ARG CA C 59.690 0.40 1 261 289 31 ARG CB C 30.810 0.40 1 262 289 31 ARG CD C 43.980 0.40 1 263 289 31 ARG CG C 29.610 0.40 1 264 289 31 ARG N N 125.690 0.40 1 265 290 32 SER H H 8.952 0.04 1 266 290 32 SER HA H 5.960 0.04 1 267 290 32 SER HB2 H 3.510 0.04 2 268 290 32 SER CA C 57.360 0.40 1 269 290 32 SER CB C 67.360 0.40 1 270 290 32 SER N N 116.345 0.40 1 271 291 33 GLY H H 8.649 0.04 1 272 291 33 GLY HA2 H 5.317 0.04 2 273 291 33 GLY HA3 H 3.440 0.04 2 274 291 33 GLY CA C 45.218 0.40 1 275 291 33 GLY N N 121.680 0.40 1 276 292 34 HIS H H 8.653 0.04 1 277 292 34 HIS HA H 5.166 0.04 1 278 292 34 HIS HB2 H 3.503 0.04 2 279 292 34 HIS HB3 H 3.240 0.04 2 280 292 34 HIS HD2 H 7.348 0.04 3 281 292 34 HIS HE1 H 7.471 0.04 3 282 292 34 HIS CA C 56.530 0.40 1 283 292 34 HIS CB C 31.060 0.40 1 284 292 34 HIS CD2 C 120.983 0.40 1 285 292 34 HIS CE1 C 138.498 0.40 1 286 292 34 HIS N N 123.180 0.40 1 287 293 35 PRO HA H 3.335 0.04 1 288 293 35 PRO HB2 H 2.508 0.04 2 289 293 35 PRO HB3 H 2.084 0.04 2 290 293 35 PRO HD2 H 4.267 0.04 2 291 293 35 PRO HD3 H 3.941 0.04 2 292 293 35 PRO HG2 H 2.251 0.04 2 293 293 35 PRO HG3 H 1.551 0.04 2 294 293 35 PRO CA C 66.800 0.40 1 295 293 35 PRO CB C 32.300 0.40 1 296 293 35 PRO CD C 51.897 0.40 1 297 293 35 PRO CG C 28.650 0.40 1 298 294 36 THR H H 9.703 0.04 1 299 294 36 THR HA H 4.096 0.04 1 300 294 36 THR HB H 4.067 0.04 1 301 294 36 THR HG2 H 1.349 0.04 1 302 294 36 THR CA C 66.640 0.40 1 303 294 36 THR CB C 69.140 0.40 1 304 294 36 THR CG2 C 21.690 0.40 1 305 294 36 THR N N 126.600 0.40 1 306 295 37 CYS H H 6.943 0.04 1 307 295 37 CYS HA H 3.912 0.04 1 308 295 37 CYS HB2 H 3.120 0.04 2 309 295 37 CYS HB3 H 2.898 0.04 2 310 295 37 CYS CA C 63.750 0.40 1 311 295 37 CYS CB C 29.780 0.40 1 312 295 37 CYS N N 125.700 0.40 1 313 296 38 LEU H H 7.636 0.04 1 314 296 38 LEU HA H 3.506 0.04 1 315 296 38 LEU HB2 H 0.896 0.04 2 316 296 38 LEU HB3 H 0.782 0.04 2 317 296 38 LEU HD1 H 0.057 0.04 2 318 296 38 LEU HD2 H 1.014 0.04 2 319 296 38 LEU HG H 1.079 0.04 1 320 296 38 LEU CA C 55.730 0.40 1 321 296 38 LEU CB C 42.340 0.40 1 322 296 38 LEU CD1 C 26.490 0.40 1 323 296 38 LEU CD2 C 25.050 0.40 1 324 296 38 LEU CG C 27.920 0.40 1 325 296 38 LEU N N 118.524 0.40 1 326 297 39 GLN H H 7.475 0.04 1 327 297 39 GLN HA H 3.772 0.04 1 328 297 39 GLN HB2 H 2.364 0.04 2 329 297 39 GLN HB3 H 2.191 0.04 2 330 297 39 GLN HE21 H 7.382 0.04 2 331 297 39 GLN HE22 H 6.690 0.04 2 332 297 39 GLN HG2 H 2.104 0.04 2 333 297 39 GLN CA C 56.920 0.40 1 334 297 39 GLN CB C 25.140 0.40 1 335 297 39 GLN CG C 34.400 0.40 1 336 297 39 GLN N N 111.440 0.40 1 337 297 39 GLN NE2 N 112.110 0.40 1 338 298 40 PHE H H 8.147 0.04 1 339 298 40 PHE HA H 5.017 0.04 1 340 298 40 PHE HB2 H 3.219 0.04 2 341 298 40 PHE HB3 H 2.834 0.04 2 342 298 40 PHE HD1 H 6.880 0.04 3 343 298 40 PHE HE1 H 6.931 0.04 3 344 298 40 PHE HE2 H 6.228 0.04 3 345 298 40 PHE HZ H 6.640 0.04 1 346 298 40 PHE CA C 55.170 0.40 1 347 298 40 PHE CB C 37.780 0.40 1 348 298 40 PHE CD1 C 128.870 0.40 3 349 298 40 PHE CE1 C 131.370 0.40 3 350 298 40 PHE CE2 C 129.350 0.40 3 351 298 40 PHE CZ C 129.351 0.40 1 352 298 40 PHE N N 118.690 0.40 1 353 299 41 THR H H 7.560 0.04 1 354 299 41 THR HA H 4.510 0.04 1 355 299 41 THR HB H 4.781 0.04 1 356 299 41 THR HG2 H 1.444 0.04 1 357 299 41 THR CA C 60.620 0.40 1 358 299 41 THR CB C 71.590 0.40 1 359 299 41 THR CG2 C 22.650 0.40 1 360 299 41 THR N N 112.275 0.40 1 361 300 42 LEU H H 8.829 0.04 1 362 300 42 LEU HA H 4.067 0.04 1 363 300 42 LEU HB2 H 1.722 0.04 2 364 300 42 LEU HB3 H 1.617 0.04 2 365 300 42 LEU HD1 H 0.931 0.04 2 366 300 42 LEU HD2 H 0.886 0.04 2 367 300 42 LEU HG H 1.698 0.04 1 368 300 42 LEU CA C 59.190 0.40 1 369 300 42 LEU CB C 41.640 0.40 1 370 300 42 LEU CD1 C 25.290 0.40 1 371 300 42 LEU CD2 C 24.370 0.40 1 372 300 42 LEU CG C 27.690 0.40 1 373 300 42 LEU N N 123.855 0.40 1 374 301 43 ASN H H 8.620 0.04 1 375 301 43 ASN HA H 4.415 0.04 1 376 301 43 ASN HB2 H 2.915 0.04 2 377 301 43 ASN HB3 H 2.774 0.04 2 378 301 43 ASN HD21 H 7.801 0.04 2 379 301 43 ASN HD22 H 6.913 0.04 2 380 301 43 ASN CA C 56.380 0.40 1 381 301 43 ASN CB C 37.650 0.40 1 382 301 43 ASN N N 116.460 0.40 1 383 301 43 ASN ND2 N 113.016 0.40 1 384 302 44 MET H H 7.587 0.04 1 385 302 44 MET HA H 3.886 0.04 1 386 302 44 MET HB2 H 1.786 0.04 2 387 302 44 MET HB3 H 1.385 0.04 2 388 302 44 MET HE H 1.886 0.04 1 389 302 44 MET HG2 H 2.058 0.04 2 390 302 44 MET HG3 H 1.503 0.04 2 391 302 44 MET CA C 59.550 0.40 1 392 302 44 MET CB C 34.390 0.40 1 393 302 44 MET CE C 18.341 0.40 1 394 302 44 MET CG C 32.480 0.40 1 395 302 44 MET N N 121.630 0.40 1 396 303 45 THR H H 7.923 0.04 1 397 303 45 THR HA H 3.572 0.04 1 398 303 45 THR HB H 4.381 0.04 1 399 303 45 THR HG2 H 1.132 0.04 1 400 303 45 THR CA C 67.540 0.40 1 401 303 45 THR CB C 68.890 0.40 1 402 303 45 THR CG2 C 22.410 0.40 1 403 303 45 THR N N 114.915 0.40 1 404 304 46 GLU H H 7.296 0.04 1 405 304 46 GLU HA H 4.064 0.04 1 406 304 46 GLU HB2 H 2.038 0.04 2 407 304 46 GLU HB3 H 2.003 0.04 2 408 304 46 GLU HG2 H 2.365 0.04 2 409 304 46 GLU HG3 H 2.279 0.04 2 410 304 46 GLU CA C 58.780 0.40 1 411 304 46 GLU CB C 29.580 0.40 1 412 304 46 GLU CG C 36.070 0.40 1 413 304 46 GLU N N 116.270 0.40 1 414 305 47 ALA H H 8.126 0.04 1 415 305 47 ALA HA H 4.208 0.04 1 416 305 47 ALA HB H 1.611 0.04 1 417 305 47 ALA CA C 55.920 0.40 1 418 305 47 ALA CB C 19.450 0.40 1 419 305 47 ALA N N 122.710 0.40 1 420 306 48 VAL H H 8.348 0.04 1 421 306 48 VAL HA H 4.048 0.04 1 422 306 48 VAL HB H 2.012 0.04 1 423 306 48 VAL HG1 H 0.636 0.04 2 424 306 48 VAL HG2 H 0.677 0.04 2 425 306 48 VAL CA C 64.959 0.40 1 426 306 48 VAL CB C 30.973 0.40 1 427 306 48 VAL CG1 C 21.690 0.40 1 428 306 48 VAL CG2 C 19.780 0.40 1 429 306 48 VAL N N 112.950 0.40 1 430 307 49 LYS H H 6.985 0.04 1 431 307 49 LYS HA H 4.267 0.04 1 432 307 49 LYS HB2 H 2.058 0.04 2 433 307 49 LYS HB3 H 1.802 0.04 2 434 307 49 LYS HD2 H 1.672 0.04 2 435 307 49 LYS HE2 H 2.900 0.04 2 436 307 49 LYS HE3 H 2.850 0.04 2 437 307 49 LYS HG2 H 1.723 0.04 2 438 307 49 LYS HG3 H 1.424 0.04 2 439 307 49 LYS CA C 57.930 0.40 1 440 307 49 LYS CB C 32.890 0.40 1 441 307 49 LYS CD C 29.850 0.40 1 442 307 49 LYS CE C 42.550 0.40 1 443 307 49 LYS CG C 26.250 0.40 1 444 307 49 LYS N N 115.880 0.40 1 445 308 50 THR H H 8.040 0.04 1 446 308 50 THR HA H 4.542 0.04 1 447 308 50 THR HB H 4.614 0.04 1 448 308 50 THR HG2 H 1.330 0.04 1 449 308 50 THR CA C 62.360 0.40 1 450 308 50 THR CB C 71.750 0.40 1 451 308 50 THR CG2 C 21.940 0.40 1 452 308 50 THR N N 123.400 0.40 1 453 309 51 TYR H H 7.654 0.04 1 454 309 51 TYR HA H 4.948 0.04 1 455 309 51 TYR HB2 H 3.153 0.04 2 456 309 51 TYR HB3 H 2.951 0.04 2 457 309 51 TYR HD1 H 6.978 0.04 3 458 309 51 TYR HE1 H 6.766 0.04 3 459 309 51 TYR CA C 56.030 0.40 1 460 309 51 TYR CB C 39.520 0.40 1 461 309 51 TYR CD1 C 134.450 0.40 3 462 309 51 TYR CE1 C 117.350 0.40 3 463 309 51 TYR N N 120.165 0.40 1 464 310 52 LYS H H 8.261 0.04 1 465 310 52 LYS HA H 4.347 0.04 1 466 310 52 LYS HB2 H 1.851 0.04 2 467 310 52 LYS HB3 H 1.573 0.04 2 468 310 52 LYS HD2 H 1.691 0.04 2 469 310 52 LYS HE2 H 2.985 0.04 2 470 310 52 LYS HG2 H 1.580 0.04 2 471 310 52 LYS HG3 H 1.370 0.04 2 472 310 52 LYS CA C 55.730 0.40 1 473 310 52 LYS CB C 30.630 0.40 1 474 310 52 LYS CD C 29.840 0.40 1 475 310 52 LYS CE C 42.550 0.40 1 476 310 52 LYS CG C 25.290 0.40 1 477 310 52 LYS N N 119.910 0.40 1 478 311 53 TRP H H 7.557 0.04 1 479 311 53 TRP HA H 3.959 0.04 1 480 311 53 TRP HB2 H 2.955 0.04 2 481 311 53 TRP HB3 H 2.600 0.04 2 482 311 53 TRP HD1 H 7.312 0.04 1 483 311 53 TRP HE1 H 11.660 0.04 3 484 311 53 TRP HE3 H 7.045 0.04 3 485 311 53 TRP HH2 H 6.965 0.04 1 486 311 53 TRP HZ2 H 7.536 0.04 3 487 311 53 TRP HZ3 H 6.630 0.04 3 488 311 53 TRP CA C 59.680 0.40 1 489 311 53 TRP CB C 29.000 0.40 1 490 311 53 TRP CD1 C 127.100 0.40 3 491 311 53 TRP CE3 C 120.318 0.40 3 492 311 53 TRP CH2 C 123.830 0.40 1 493 311 53 TRP CZ2 C 114.270 0.40 3 494 311 53 TRP CZ3 C 120.011 0.40 3 495 311 53 TRP N N 113.510 0.40 1 496 311 53 TRP NE1 N 115.600 0.40 1 497 312 54 GLN H H 7.406 0.04 1 498 312 54 GLN HA H 5.041 0.04 1 499 312 54 GLN HB2 H 1.572 0.04 2 500 312 54 GLN HB3 H 1.370 0.04 2 501 312 54 GLN HE21 H 8.590 0.04 2 502 312 54 GLN HE22 H 6.610 0.04 2 503 312 54 GLN HG2 H 2.192 0.04 2 504 312 54 GLN HG3 H 2.072 0.04 2 505 312 54 GLN CA C 52.620 0.40 1 506 312 54 GLN CB C 34.520 0.40 1 507 312 54 GLN CG C 33.920 0.40 1 508 312 54 GLN N N 124.220 0.40 1 509 312 54 GLN NE2 N 118.240 0.40 1 510 313 55 CYS H H 8.845 0.04 1 511 313 55 CYS HA H 3.830 0.04 1 512 313 55 CYS HB2 H 3.334 0.04 2 513 313 55 CYS HB3 H 2.451 0.04 2 514 313 55 CYS CA C 57.870 0.40 1 515 313 55 CYS CB C 30.550 0.40 1 516 313 55 CYS N N 120.608 0.40 1 517 314 56 ILE H H 8.290 0.04 1 518 314 56 ILE HA H 3.488 0.04 1 519 314 56 ILE HB H 2.006 0.04 1 520 314 56 ILE HD1 H 1.088 0.04 1 521 314 56 ILE HG12 H 2.031 0.04 1 522 314 56 ILE HG13 H 1.307 0.04 1 523 314 56 ILE HG2 H 1.060 0.04 2 524 314 56 ILE CA C 66.280 0.40 1 525 314 56 ILE CB C 39.100 0.40 1 526 314 56 ILE CD1 C 15.460 0.40 1 527 314 56 ILE CG1 C 30.560 0.40 2 528 314 56 ILE CG2 C 18.580 0.40 1 529 314 56 ILE N N 114.930 0.40 1 530 315 57 GLU H H 7.760 0.04 1 531 315 57 GLU HA H 4.091 0.04 1 532 315 57 GLU HB2 H 2.007 0.04 2 533 315 57 GLU HG2 H 2.312 0.04 2 534 315 57 GLU HG3 H 2.238 0.04 2 535 315 57 GLU CA C 59.140 0.40 1 536 315 57 GLU CB C 30.050 0.40 1 537 315 57 GLU CG C 36.300 0.40 1 538 315 57 GLU N N 116.260 0.40 1 539 316 58 CYS H H 8.204 0.04 1 540 316 58 CYS HA H 3.843 0.04 1 541 316 58 CYS HB2 H 3.031 0.04 2 542 316 58 CYS HB3 H 2.524 0.04 2 543 316 58 CYS CA C 62.434 0.40 1 544 316 58 CYS CB C 30.901 0.40 1 545 316 58 CYS N N 123.100 0.40 1 546 317 59 LYS H H 7.369 0.04 1 547 317 59 LYS HA H 3.255 0.04 1 548 317 59 LYS HB2 H 1.463 0.04 2 549 317 59 LYS HB3 H 1.308 0.04 2 550 317 59 LYS HD2 H 1.241 0.04 2 551 317 59 LYS HE2 H 1.721 0.04 2 552 317 59 LYS HE3 H 1.311 0.04 2 553 317 59 LYS HG2 H 1.198 0.04 2 554 317 59 LYS HG3 H 0.955 0.04 2 555 317 59 LYS CA C 58.260 0.40 1 556 317 59 LYS CB C 31.050 0.40 1 557 317 59 LYS CD C 28.880 0.40 1 558 317 59 LYS CE C 40.630 0.40 1 559 317 59 LYS CG C 23.130 0.40 1 560 317 59 LYS N N 117.470 0.40 1 561 318 60 SER H H 8.014 0.04 1 562 318 60 SER HA H 4.408 0.04 1 563 318 60 SER HB2 H 3.512 0.04 2 564 318 60 SER HB3 H 3.418 0.04 2 565 318 60 SER CA C 55.476 0.40 1 566 318 60 SER CB C 65.880 0.40 1 567 318 60 SER N N 119.600 0.40 1 568 319 61 CYS H H 7.993 0.04 1 569 319 61 CYS HA H 3.930 0.04 1 570 319 61 CYS HB2 H 3.328 0.04 2 571 319 61 CYS HB3 H 1.675 0.04 2 572 319 61 CYS CA C 58.040 0.40 1 573 319 61 CYS CB C 31.900 0.40 1 574 319 61 CYS N N 121.860 0.40 1 575 320 62 ILE H H 8.690 0.04 1 576 320 62 ILE HA H 3.940 0.04 1 577 320 62 ILE HB H 1.825 0.04 1 578 320 62 ILE HD1 H 0.797 0.04 1 579 320 62 ILE HG12 H 1.360 0.04 1 580 320 62 ILE HG13 H 1.153 0.04 1 581 320 62 ILE HG2 H 0.748 0.04 2 582 320 62 ILE CA C 61.460 0.40 1 583 320 62 ILE CB C 38.020 0.40 1 584 320 62 ILE CD1 C 12.590 0.40 1 585 320 62 ILE CG1 C 28.410 0.40 2 586 320 62 ILE CG2 C 18.820 0.40 1 587 320 62 ILE N N 113.650 0.40 1 588 321 63 LEU H H 8.560 0.04 1 589 321 63 LEU HA H 4.483 0.04 1 590 321 63 LEU HB2 H 1.961 0.04 2 591 321 63 LEU HB3 H 1.692 0.04 2 592 321 63 LEU HD1 H 1.133 0.04 2 593 321 63 LEU HD2 H 1.080 0.04 2 594 321 63 LEU HG H 1.953 0.04 1 595 321 63 LEU CA C 57.400 0.40 1 596 321 63 LEU CB C 42.360 0.40 1 597 321 63 LEU CD1 C 27.440 0.40 1 598 321 63 LEU CD2 C 22.890 0.40 1 599 321 63 LEU CG C 27.920 0.40 1 600 321 63 LEU N N 121.930 0.40 1 601 322 64 CYS H H 8.227 0.04 1 602 322 64 CYS HA H 5.125 0.04 1 603 322 64 CYS HB2 H 3.330 0.04 2 604 322 64 CYS HB3 H 3.150 0.04 2 605 322 64 CYS CA C 58.860 0.40 1 606 322 64 CYS CB C 31.670 0.40 1 607 322 64 CYS N N 117.284 0.40 1 608 323 65 GLY H H 8.193 0.04 1 609 323 65 GLY HA2 H 4.222 0.04 2 610 323 65 GLY HA3 H 3.996 0.04 2 611 323 65 GLY CA C 46.568 0.40 1 612 323 65 GLY N N 113.065 0.40 1 613 324 66 THR H H 8.512 0.04 1 614 324 66 THR HA H 5.072 0.04 1 615 324 66 THR HB H 4.628 0.04 1 616 324 66 THR HG2 H 1.348 0.04 1 617 324 66 THR CA C 61.150 0.40 1 618 324 66 THR CB C 72.120 0.40 1 619 324 66 THR CG2 C 21.698 0.40 1 620 324 66 THR N N 113.014 0.40 1 621 325 67 SER H H 8.987 0.04 1 622 325 67 SER HA H 4.656 0.04 1 623 325 67 SER HB2 H 3.909 0.04 2 624 325 67 SER HB3 H 3.761 0.04 2 625 325 67 SER CA C 56.800 0.40 1 626 325 67 SER CB C 63.820 0.40 1 627 325 67 SER N N 114.927 0.40 1 628 326 68 GLU H H 7.388 0.04 1 629 326 68 GLU HA H 4.370 0.04 1 630 326 68 GLU HB2 H 2.105 0.04 2 631 326 68 GLU HB3 H 1.843 0.04 2 632 326 68 GLU HG2 H 2.337 0.04 2 633 326 68 GLU HG3 H 2.258 0.04 2 634 326 68 GLU CA C 56.330 0.40 1 635 326 68 GLU CB C 31.315 0.40 1 636 326 68 GLU CG C 36.320 0.40 1 637 326 68 GLU N N 118.713 0.40 1 638 327 69 ASN H H 9.216 0.04 1 639 327 69 ASN HA H 4.555 0.04 1 640 327 69 ASN HB2 H 3.185 0.04 2 641 327 69 ASN HB3 H 2.815 0.04 2 642 327 69 ASN HD21 H 7.669 0.04 2 643 327 69 ASN HD22 H 6.936 0.04 2 644 327 69 ASN CA C 54.550 0.40 1 645 327 69 ASN CB C 37.571 0.40 1 646 327 69 ASN N N 116.026 0.40 1 647 327 69 ASN ND2 N 115.050 0.40 1 648 328 70 ASP H H 8.791 0.04 1 649 328 70 ASP HA H 4.123 0.04 1 650 328 70 ASP HB2 H 2.730 0.04 2 651 328 70 ASP CA C 57.840 0.40 1 652 328 70 ASP CB C 40.280 0.40 1 653 328 70 ASP N N 119.000 0.40 1 654 329 71 ASP H H 9.025 0.04 1 655 329 71 ASP HA H 4.331 0.04 1 656 329 71 ASP HB2 H 2.723 0.04 2 657 329 71 ASP HB3 H 2.647 0.04 2 658 329 71 ASP CA C 55.360 0.40 1 659 329 71 ASP CB C 39.650 0.40 1 660 329 71 ASP N N 116.390 0.40 1 661 330 72 GLN H H 8.444 0.04 1 662 330 72 GLN HA H 4.711 0.04 1 663 330 72 GLN HB2 H 2.803 0.04 2 664 330 72 GLN HB3 H 2.107 0.04 2 665 330 72 GLN HE21 H 7.586 0.04 2 666 330 72 GLN HE22 H 6.656 0.04 2 667 330 72 GLN HG2 H 2.352 0.04 2 668 330 72 GLN CA C 54.970 0.40 1 669 330 72 GLN CB C 31.200 0.40 1 670 330 72 GLN CG C 34.160 0.40 1 671 330 72 GLN N N 116.896 0.40 1 672 330 72 GLN NE2 N 111.438 0.40 1 673 331 73 LEU H H 7.190 0.04 1 674 331 73 LEU HA H 4.303 0.04 1 675 331 73 LEU HB2 H 1.823 0.04 2 676 331 73 LEU HB3 H 1.298 0.04 2 677 331 73 LEU HD1 H 0.529 0.04 2 678 331 73 LEU HD2 H 0.327 0.04 2 679 331 73 LEU HG H 1.211 0.04 1 680 331 73 LEU CA C 55.170 0.40 1 681 331 73 LEU CB C 42.990 0.40 1 682 331 73 LEU CD1 C 26.390 0.40 1 683 331 73 LEU CD2 C 25.290 0.40 1 684 331 73 LEU CG C 28.410 0.40 1 685 331 73 LEU N N 124.290 0.40 1 686 332 74 LEU H H 8.394 0.04 1 687 332 74 LEU HA H 4.490 0.04 1 688 332 74 LEU HB2 H 1.336 0.04 2 689 332 74 LEU HB3 H 0.995 0.04 2 690 332 74 LEU HD1 H -0.360 0.04 2 691 332 74 LEU HD2 H 0.166 0.04 2 692 332 74 LEU HG H 1.137 0.04 1 693 332 74 LEU CA C 54.940 0.40 1 694 332 74 LEU CB C 44.760 0.40 1 695 332 74 LEU CD1 C 24.810 0.40 1 696 332 74 LEU CD2 C 23.850 0.40 1 697 332 74 LEU CG C 26.970 0.40 1 698 332 74 LEU N N 126.080 0.40 1 699 333 75 PHE H H 8.153 0.04 1 700 333 75 PHE HA H 5.745 0.04 1 701 333 75 PHE HB2 H 3.103 0.04 2 702 333 75 PHE HB3 H 2.943 0.04 2 703 333 75 PHE HD1 H 7.198 0.04 3 704 333 75 PHE HE1 H 7.029 0.04 3 705 333 75 PHE HZ H 7.057 0.04 1 706 333 75 PHE CA C 52.700 0.40 1 707 333 75 PHE CB C 39.270 0.40 1 708 333 75 PHE CD1 C 130.270 0.40 3 709 333 75 PHE CE1 C 130.507 0.40 3 710 333 75 PHE CZ C 126.410 0.40 1 711 333 75 PHE N N 119.220 0.40 1 712 334 76 CYS H H 9.555 0.04 1 713 334 76 CYS HA H 4.830 0.04 1 714 334 76 CYS HB2 H 3.630 0.04 2 715 334 76 CYS HB3 H 2.980 0.04 2 716 334 76 CYS CA C 60.890 0.40 1 717 334 76 CYS CB C 31.490 0.40 1 718 334 76 CYS N N 125.290 0.40 1 719 335 77 ASP H H 9.693 0.04 1 720 335 77 ASP HA H 4.845 0.04 1 721 335 77 ASP HB2 H 2.945 0.04 2 722 335 77 ASP HB3 H 2.670 0.04 2 723 335 77 ASP CA C 58.200 0.40 1 724 335 77 ASP CB C 41.650 0.40 1 725 335 77 ASP N N 114.040 0.40 1 726 336 78 ASP H H 9.805 0.04 1 727 336 78 ASP HA H 4.980 0.04 1 728 336 78 ASP HB2 H 2.794 0.04 2 729 336 78 ASP HB3 H 2.560 0.04 2 730 336 78 ASP CA C 56.940 0.40 1 731 336 78 ASP CB C 45.920 0.40 1 732 336 78 ASP N N 123.200 0.40 1 733 337 79 CYS H H 8.368 0.04 1 734 337 79 CYS HA H 4.834 0.04 1 735 337 79 CYS HB2 H 2.928 0.04 2 736 337 79 CYS HB3 H 2.466 0.04 2 737 337 79 CYS CA C 59.010 0.40 1 738 337 79 CYS CB C 33.980 0.40 1 739 337 79 CYS N N 117.370 0.40 1 740 338 80 ASP H H 8.534 0.04 1 741 338 80 ASP HA H 5.115 0.04 1 742 338 80 ASP HB2 H 3.070 0.04 2 743 338 80 ASP HB3 H 2.250 0.04 2 744 338 80 ASP CA C 57.450 0.40 1 745 338 80 ASP CB C 46.580 0.40 1 746 338 80 ASP N N 125.880 0.40 1 747 339 81 ARG H H 8.837 0.04 1 748 339 81 ARG HA H 4.048 0.04 1 749 339 81 ARG HB2 H 1.764 0.04 2 750 339 81 ARG HB3 H 1.315 0.04 2 751 339 81 ARG HD2 H 2.981 0.04 2 752 339 81 ARG HD3 H 2.615 0.04 2 753 339 81 ARG HG2 H 1.636 0.04 2 754 339 81 ARG HG3 H 1.033 0.04 2 755 339 81 ARG CA C 58.770 0.40 1 756 339 81 ARG CB C 32.950 0.40 1 757 339 81 ARG CD C 44.970 0.40 1 758 339 81 ARG CG C 32.495 0.40 1 759 339 81 ARG N N 120.850 0.40 1 760 340 82 GLY H H 9.109 0.04 1 761 340 82 GLY HA2 H 5.538 0.04 2 762 340 82 GLY HA3 H 2.808 0.04 2 763 340 82 GLY CA C 44.450 0.40 1 764 340 82 GLY N N 123.940 0.40 1 765 341 83 TYR H H 9.148 0.04 1 766 341 83 TYR HA H 5.320 0.04 1 767 341 83 TYR HB2 H 2.660 0.04 2 768 341 83 TYR HD1 H 7.202 0.04 3 769 341 83 TYR HE1 H 6.760 0.04 3 770 341 83 TYR CA C 56.660 0.40 1 771 341 83 TYR CB C 43.980 0.40 1 772 341 83 TYR CD1 C 133.480 0.40 3 773 341 83 TYR CE1 C 119.970 0.40 3 774 341 83 TYR N N 119.230 0.40 1 775 342 84 HIS H H 9.620 0.04 1 776 342 84 HIS HA H 4.900 0.04 1 777 342 84 HIS HB2 H 3.270 0.04 2 778 342 84 HIS HB3 H 1.465 0.04 2 779 342 84 HIS HD2 H 6.631 0.04 3 780 342 84 HIS HE1 H 7.720 0.04 3 781 342 84 HIS CA C 59.150 0.40 1 782 342 84 HIS CB C 30.460 0.40 1 783 342 84 HIS CD2 C 117.800 0.40 1 784 342 84 HIS CE1 C 138.880 0.40 1 785 342 84 HIS N N 123.680 0.40 1 786 343 85 MET H H 9.139 0.04 1 787 343 85 MET HA H 3.651 0.04 1 788 343 85 MET HB2 H 2.797 0.04 2 789 343 85 MET HB3 H 1.971 0.04 2 790 343 85 MET HE H 1.921 0.04 1 791 343 85 MET HG2 H 2.476 0.04 2 792 343 85 MET HG3 H 2.123 0.04 2 793 343 85 MET CA C 60.350 0.40 1 794 343 85 MET CB C 33.790 0.40 1 795 343 85 MET CE C 17.140 0.40 1 796 343 85 MET CG C 32.960 0.40 1 797 343 85 MET N N 121.400 0.40 1 798 344 86 TYR H H 6.267 0.04 1 799 344 86 TYR HA H 4.690 0.04 1 800 344 86 TYR HB2 H 3.396 0.04 2 801 344 86 TYR HB3 H 2.909 0.04 2 802 344 86 TYR HD1 H 7.138 0.04 3 803 344 86 TYR HE1 H 6.501 0.04 3 804 344 86 TYR CA C 56.350 0.40 1 805 344 86 TYR CB C 37.450 0.40 1 806 344 86 TYR CD1 C 134.400 0.40 3 807 344 86 TYR CE1 C 118.590 0.40 3 808 344 86 TYR N N 123.020 0.40 1 809 345 87 CYS H H 7.238 0.04 1 810 345 87 CYS HA H 4.381 0.04 1 811 345 87 CYS HB2 H 3.268 0.04 2 812 345 87 CYS HB3 H 2.810 0.04 2 813 345 87 CYS CA C 62.600 0.40 1 814 345 87 CYS CB C 31.171 0.40 1 815 345 87 CYS N N 122.760 0.40 1 816 346 88 LEU H H 6.466 0.04 1 817 346 88 LEU HA H 3.905 0.04 1 818 346 88 LEU HB2 H 1.728 0.04 2 819 346 88 LEU HB3 H 1.430 0.04 2 820 346 88 LEU HD1 H 0.761 0.04 2 821 346 88 LEU HD2 H 0.838 0.04 2 822 346 88 LEU HG H 1.847 0.04 1 823 346 88 LEU CA C 55.600 0.40 1 824 346 88 LEU CB C 44.050 0.40 1 825 346 88 LEU CD1 C 27.210 0.40 1 826 346 88 LEU CD2 C 23.850 0.40 1 827 346 88 LEU CG C 27.210 0.40 1 828 346 88 LEU N N 119.169 0.40 1 829 347 89 ASN H H 8.002 0.04 1 830 347 89 ASN HA H 4.930 0.04 1 831 347 89 ASN HB2 H 2.820 0.04 2 832 347 89 ASN HB3 H 2.578 0.04 2 833 347 89 ASN HD21 H 7.561 0.04 2 834 347 89 ASN HD22 H 6.810 0.04 2 835 347 89 ASN CA C 49.860 0.40 1 836 347 89 ASN CB C 41.044 0.40 1 837 347 89 ASN N N 115.830 0.40 1 838 347 89 ASN ND2 N 112.002 0.40 1 839 348 90 PRO HA H 5.045 0.04 1 840 348 90 PRO HB2 H 2.418 0.04 2 841 348 90 PRO HB3 H 2.055 0.04 2 842 348 90 PRO HD2 H 3.562 0.04 2 843 348 90 PRO HD3 H 3.438 0.04 2 844 348 90 PRO HG2 H 1.904 0.04 2 845 348 90 PRO CA C 62.730 0.40 1 846 348 90 PRO CB C 33.440 0.40 1 847 348 90 PRO CD C 50.620 0.40 1 848 348 90 PRO CG C 25.530 0.40 1 849 349 91 PRO HA H 4.429 0.04 1 850 349 91 PRO HB2 H 2.288 0.04 2 851 349 91 PRO HB3 H 1.826 0.04 2 852 349 91 PRO HD2 H 3.776 0.04 2 853 349 91 PRO HD3 H 3.663 0.04 2 854 349 91 PRO HG2 H 2.116 0.04 2 855 349 91 PRO HG3 H 1.987 0.04 2 856 349 91 PRO CA C 63.682 0.40 1 857 349 91 PRO CB C 32.820 0.40 1 858 349 91 PRO CD C 50.680 0.40 1 859 349 91 PRO CG C 27.905 0.40 1 860 350 92 VAL H H 7.626 0.04 1 861 350 92 VAL HA H 4.187 0.04 1 862 350 92 VAL HB H 1.716 0.04 1 863 350 92 VAL HG1 H 0.809 0.04 2 864 350 92 VAL HG2 H 0.834 0.04 2 865 350 92 VAL CA C 61.400 0.40 1 866 350 92 VAL CB C 34.170 0.40 1 867 350 92 VAL CG1 C 22.610 0.40 1 868 350 92 VAL CG2 C 22.280 0.40 1 869 350 92 VAL N N 120.100 0.40 1 870 351 93 ALA H H 8.589 0.04 1 871 351 93 ALA HA H 4.220 0.04 1 872 351 93 ALA HB H 1.413 0.04 1 873 351 93 ALA CA C 54.060 0.40 1 874 351 93 ALA CB C 20.140 0.40 1 875 351 93 ALA N N 111.225 0.40 1 876 352 94 GLU H H 7.324 0.04 1 877 352 94 GLU HA H 4.691 0.04 1 878 352 94 GLU HB2 H 1.954 0.04 2 879 352 94 GLU HB3 H 1.794 0.04 2 880 352 94 GLU HG2 H 2.123 0.04 2 881 352 94 GLU HG3 H 2.050 0.04 2 882 352 94 GLU CA C 53.440 0.40 1 883 352 94 GLU CB C 31.170 0.40 1 884 352 94 GLU CG C 35.600 0.40 1 885 352 94 GLU N N 114.820 0.40 1 886 353 95 PRO HA H 4.233 0.04 1 887 353 95 PRO HB2 H 1.835 0.04 2 888 353 95 PRO HD2 H 3.677 0.04 2 889 353 95 PRO HD3 H 3.606 0.04 2 890 353 95 PRO HG2 H 2.125 0.04 2 891 353 95 PRO HG3 H 1.854 0.04 2 892 353 95 PRO CA C 61.480 0.40 1 893 353 95 PRO CB C 31.230 0.40 1 894 353 95 PRO CD C 50.930 0.40 1 895 353 95 PRO CG C 28.330 0.40 1 896 354 96 PRO HA H 4.410 0.04 1 897 354 96 PRO HB2 H 2.428 0.04 2 898 354 96 PRO HB3 H 1.945 0.04 2 899 354 96 PRO HD2 H 3.692 0.04 2 900 354 96 PRO HD3 H 3.132 0.04 2 901 354 96 PRO HG2 H 2.064 0.04 2 902 354 96 PRO HG3 H 2.015 0.04 2 903 354 96 PRO CA C 62.930 0.40 1 904 354 96 PRO CB C 32.480 0.40 1 905 354 96 PRO CD C 50.940 0.40 1 906 354 96 PRO CG C 28.020 0.40 1 907 355 97 GLU H H 8.611 0.04 1 908 355 97 GLU HA H 4.134 0.04 1 909 355 97 GLU HB2 H 1.990 0.04 2 910 355 97 GLU HG2 H 2.322 0.04 2 911 355 97 GLU HG3 H 2.260 0.04 2 912 355 97 GLU CA C 58.020 0.40 1 913 355 97 GLU CB C 30.260 0.40 1 914 355 97 GLU CG C 37.030 0.40 1 915 355 97 GLU N N 121.917 0.40 1 916 356 98 GLY H H 8.374 0.04 1 917 356 98 GLY HA2 H 4.150 0.04 2 918 356 98 GLY HA3 H 3.925 0.04 2 919 356 98 GLY CA C 44.310 0.40 1 920 356 98 GLY N N 125.870 0.40 1 921 357 99 SER H H 8.229 0.04 1 922 357 99 SER HA H 4.587 0.04 1 923 357 99 SER HB2 H 3.868 0.04 2 924 357 99 SER CA C 59.190 0.40 1 925 357 99 SER CB C 64.510 0.40 1 926 357 99 SER N N 115.980 0.40 1 927 358 100 TRP H H 9.492 0.04 1 928 358 100 TRP HA H 4.654 0.04 1 929 358 100 TRP HB2 H 3.660 0.04 2 930 358 100 TRP HB3 H 2.854 0.04 2 931 358 100 TRP HD1 H 7.290 0.04 1 932 358 100 TRP HE1 H 9.875 0.04 3 933 358 100 TRP HE3 H 7.543 0.04 3 934 358 100 TRP HH2 H 6.332 0.04 1 935 358 100 TRP HZ2 H 7.110 0.04 3 936 358 100 TRP HZ3 H 6.799 0.04 3 937 358 100 TRP CA C 59.620 0.40 1 938 358 100 TRP CB C 31.820 0.40 1 939 358 100 TRP CD1 C 125.960 0.40 3 940 358 100 TRP CE3 C 121.420 0.40 3 941 358 100 TRP CH2 C 122.880 0.40 1 942 358 100 TRP CZ2 C 114.440 0.40 3 943 358 100 TRP CZ3 C 119.676 0.40 3 944 358 100 TRP N N 110.540 0.40 1 945 358 100 TRP NE1 N 112.370 0.40 1 946 359 101 SER H H 7.042 0.04 1 947 359 101 SER HA H 5.240 0.04 1 948 359 101 SER HB2 H 3.310 0.04 2 949 359 101 SER HB3 H 3.170 0.04 2 950 359 101 SER CA C 55.760 0.40 1 951 359 101 SER CB C 65.260 0.40 1 952 359 101 SER N N 121.470 0.40 1 953 360 102 CYS H H 9.208 0.04 1 954 360 102 CYS HA H 3.651 0.04 1 955 360 102 CYS HB2 H 2.664 0.04 2 956 360 102 CYS HB3 H 2.367 0.04 2 957 360 102 CYS CA C 57.600 0.40 1 958 360 102 CYS CB C 34.540 0.40 1 959 360 102 CYS N N 111.303 0.40 1 960 361 103 HIS H H 8.091 0.04 1 961 361 103 HIS HA H 4.164 0.04 1 962 361 103 HIS HB2 H 3.156 0.04 2 963 361 103 HIS HB3 H 3.069 0.04 2 964 361 103 HIS HD2 H 7.043 0.04 3 965 361 103 HIS HE1 H 7.825 0.04 3 966 361 103 HIS CA C 59.320 0.40 1 967 361 103 HIS CB C 29.840 0.40 1 968 361 103 HIS CD2 C 119.045 0.40 1 969 361 103 HIS CE1 C 137.740 0.40 1 970 361 103 HIS N N 115.760 0.40 1 971 362 104 LEU H H 6.791 0.04 1 972 362 104 LEU HA H 4.065 0.04 1 973 362 104 LEU HB2 H 1.773 0.04 2 974 362 104 LEU HB3 H 1.383 0.04 2 975 362 104 LEU HD1 H 0.739 0.04 2 976 362 104 LEU HD2 H 0.737 0.04 2 977 362 104 LEU HG H 1.297 0.04 1 978 362 104 LEU CA C 58.080 0.40 1 979 362 104 LEU CB C 42.340 0.40 1 980 362 104 LEU CD1 C 25.230 0.40 1 981 362 104 LEU CD2 C 23.190 0.40 1 982 362 104 LEU CG C 27.040 0.40 1 983 362 104 LEU N N 117.040 0.40 1 984 363 105 CYS H H 7.852 0.04 1 985 363 105 CYS HA H 3.833 0.04 1 986 363 105 CYS HB2 H 2.684 0.04 2 987 363 105 CYS CA C 64.840 0.40 1 988 363 105 CYS CB C 29.120 0.40 1 989 363 105 CYS N N 123.897 0.40 1 990 364 106 TRP H H 8.167 0.04 1 991 364 106 TRP HA H 4.189 0.04 1 992 364 106 TRP HB2 H 3.161 0.04 2 993 364 106 TRP HD1 H 7.050 0.04 1 994 364 106 TRP HE1 H 9.939 0.04 3 995 364 106 TRP HE3 H 7.468 0.04 3 996 364 106 TRP HH2 H 7.179 0.04 1 997 364 106 TRP HZ2 H 7.432 0.04 3 998 364 106 TRP HZ3 H 7.088 0.04 3 999 364 106 TRP CA C 60.660 0.40 1 1000 364 106 TRP CB C 29.426 0.40 1 1001 364 106 TRP CD1 C 127.180 0.40 3 1002 364 106 TRP CE3 C 120.838 0.40 3 1003 364 106 TRP CH2 C 124.446 0.40 1 1004 364 106 TRP CZ2 C 114.407 0.40 3 1005 364 106 TRP CZ3 C 121.879 0.40 3 1006 364 106 TRP N N 121.129 0.40 1 1007 364 106 TRP NE1 N 112.730 0.40 1 1008 365 107 GLU H H 7.740 0.04 1 1009 365 107 GLU HA H 3.827 0.04 1 1010 365 107 GLU HB2 H 1.983 0.04 2 1011 365 107 GLU HG2 H 2.253 0.04 2 1012 365 107 GLU HG3 H 2.210 0.04 2 1013 365 107 GLU CA C 58.788 0.40 1 1014 365 107 GLU CB C 29.840 0.40 1 1015 365 107 GLU CG C 36.796 0.40 1 1016 365 107 GLU N N 117.878 0.40 1 1017 366 108 LEU H H 7.516 0.04 1 1018 366 108 LEU HA H 4.089 0.04 1 1019 366 108 LEU HB2 H 1.652 0.04 2 1020 366 108 LEU HB3 H 1.535 0.04 2 1021 366 108 LEU HD1 H 0.841 0.04 2 1022 366 108 LEU HD2 H 0.816 0.04 2 1023 366 108 LEU HG H 1.590 0.04 1 1024 366 108 LEU CA C 57.190 0.40 1 1025 366 108 LEU CB C 42.490 0.40 1 1026 366 108 LEU CD1 C 25.530 0.40 1 1027 366 108 LEU CD2 C 24.090 0.40 1 1028 366 108 LEU CG C 27.210 0.40 1 1029 366 108 LEU N N 119.100 0.40 1 1030 367 109 LEU H H 7.798 0.04 1 1031 367 109 LEU HA H 4.096 0.04 1 1032 367 109 LEU HB2 H 1.576 0.04 2 1033 367 109 LEU HB3 H 1.445 0.04 2 1034 367 109 LEU HD1 H 0.721 0.04 2 1035 367 109 LEU HD2 H 0.732 0.04 2 1036 367 109 LEU HG H 1.558 0.04 1 1037 367 109 LEU CA C 56.670 0.40 1 1038 367 109 LEU CB C 42.246 0.40 1 1039 367 109 LEU CD1 C 25.290 0.40 1 1040 367 109 LEU CD2 C 23.540 0.40 1 1041 367 109 LEU CG C 27.210 0.40 1 1042 367 109 LEU N N 119.208 0.40 1 1043 368 110 LYS H H 7.642 0.04 1 1044 368 110 LYS HA H 3.968 0.04 1 1045 368 110 LYS HB2 H 1.574 0.04 2 1046 368 110 LYS HD2 H 1.432 0.04 2 1047 368 110 LYS HE2 H 2.773 0.04 2 1048 368 110 LYS HG2 H 1.210 0.04 2 1049 368 110 LYS CA C 57.843 0.40 1 1050 368 110 LYS CB C 32.427 0.40 1 1051 368 110 LYS CD C 29.366 0.40 1 1052 368 110 LYS CE C 42.310 0.40 1 1053 368 110 LYS CG C 24.812 0.40 1 1054 368 110 LYS N N 119.733 0.40 1 1055 369 111 GLU H H 7.963 0.04 1 1056 369 111 GLU HA H 4.161 0.04 1 1057 369 111 GLU HB2 H 2.031 0.04 2 1058 369 111 GLU HB3 H 1.927 0.04 2 1059 369 111 GLU HG2 H 2.272 0.04 2 1060 369 111 GLU HG3 H 2.206 0.04 2 1061 369 111 GLU CA C 57.392 0.40 1 1062 369 111 GLU CB C 30.310 0.40 1 1063 369 111 GLU CG C 36.800 0.40 1 1064 369 111 GLU N N 120.110 0.40 1 1065 370 112 LYS H H 7.992 0.04 1 1066 370 112 LYS HA H 4.259 0.04 1 1067 370 112 LYS HB2 H 1.837 0.04 2 1068 370 112 LYS HB3 H 1.753 0.04 2 1069 370 112 LYS HD2 H 1.600 0.04 2 1070 370 112 LYS HE2 H 2.920 0.04 2 1071 370 112 LYS HG2 H 1.428 0.04 2 1072 370 112 LYS CA C 56.640 0.40 1 1073 370 112 LYS CB C 33.150 0.40 1 1074 370 112 LYS CD C 29.600 0.40 1 1075 370 112 LYS CE C 42.370 0.40 1 1076 370 112 LYS CG C 25.290 0.40 1 1077 370 112 LYS N N 121.270 0.40 1 1078 371 113 ALA H H 8.130 0.04 1 1079 371 113 ALA HA H 4.352 0.04 1 1080 371 113 ALA HB H 1.397 0.04 1 1081 371 113 ALA CA C 52.920 0.40 1 1082 371 113 ALA CB C 19.800 0.40 1 1083 371 113 ALA N N 125.610 0.40 1 1084 372 114 SER H H 7.869 0.04 1 1085 372 114 SER HA H 4.238 0.04 1 1086 372 114 SER HB2 H 3.838 0.04 2 1087 372 114 SER CA C 60.823 0.40 1 1088 372 114 SER CB C 65.343 0.40 1 1089 372 114 SER N N 120.910 0.40 1 stop_ save_