data_19791 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Characterization of a Complex Between the Acidic Transactivation Domain of EBNA2 and the Tfb1/p62 subunit of TFIIH. ; _BMRB_accession_number 19791 _BMRB_flat_file_name bmr19791.str _Entry_type original _Submission_date 2014-02-12 _Accession_date 2014-02-12 _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 'R. Chabot' Philippe . . 2 Raiola Luca . . 3 Lussier-Price Mathieu . . 4 Morse Thomas . . 5 Arseneault Genevieve . . 6 Archambault Jacques . . 7 Omichinski James . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 724 "13C chemical shifts" 441 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-23 update BMRB 'update entry citation' 2014-03-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Tfb1-EBNA2 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and functional characterization of a complex between the acidic transactivation domain of EBNA2 and the Tfb1/p62 subunit of TFIIH.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24675874 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chabot Philippe R. . 2 Raiola Luca . . 3 Lussier-Price Mathieu . . 4 Morse Thomas . . 5 Arseneault Genevieve . . 6 Archambault Jacques . . 7 Omichinski James G. . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_name_full 'PLoS pathogens' _Journal_volume 10 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1004042 _Page_last e1004042 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Complex Between the Acidic Transactivation Domain of EBNA2 and the Tfb1/p62 subunit of TFIIH' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Tfb1 $Tfb1 EBNA2 $EBNA2 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_Tfb1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tfb1 _Molecular_mass 12903.807 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; PSHSGAAIFEKVSGIIAINE DVSPAELTWRSTDGDKVHTV VLSTIDKLQATPASSEKMML RLIGKVDESKKRKDNEGNEV VPKPQRHMFSFNNRTVMDNI KMTLQQIISRYKDAD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 PRO 2 2 SER 3 3 HIS 4 4 SER 5 5 GLY 6 6 ALA 7 7 ALA 8 8 ILE 9 9 PHE 10 10 GLU 11 11 LYS 12 12 VAL 13 13 SER 14 14 GLY 15 15 ILE 16 16 ILE 17 17 ALA 18 18 ILE 19 19 ASN 20 20 GLU 21 21 ASP 22 22 VAL 23 23 SER 24 24 PRO 25 25 ALA 26 26 GLU 27 27 LEU 28 28 THR 29 29 TRP 30 30 ARG 31 31 SER 32 32 THR 33 33 ASP 34 34 GLY 35 35 ASP 36 36 LYS 37 37 VAL 38 38 HIS 39 39 THR 40 40 VAL 41 41 VAL 42 42 LEU 43 43 SER 44 44 THR 45 45 ILE 46 46 ASP 47 47 LYS 48 48 LEU 49 49 GLN 50 50 ALA 51 51 THR 52 52 PRO 53 53 ALA 54 54 SER 55 55 SER 56 56 GLU 57 57 LYS 58 58 MET 59 59 MET 60 60 LEU 61 61 ARG 62 62 LEU 63 63 ILE 64 64 GLY 65 65 LYS 66 66 VAL 67 67 ASP 68 68 GLU 69 69 SER 70 70 LYS 71 71 LYS 72 72 ARG 73 73 LYS 74 74 ASP 75 75 ASN 76 76 GLU 77 77 GLY 78 78 ASN 79 79 GLU 80 80 VAL 81 81 VAL 82 82 PRO 83 83 LYS 84 84 PRO 85 85 GLN 86 86 ARG 87 87 HIS 88 88 MET 89 89 PHE 90 90 SER 91 91 PHE 92 92 ASN 93 93 ASN 94 94 ARG 95 95 THR 96 96 VAL 97 97 MET 98 98 ASP 99 99 ASN 100 100 ILE 101 101 LYS 102 102 MET 103 103 THR 104 104 LEU 105 105 GLN 106 106 GLN 107 107 ILE 108 108 ILE 109 109 SER 110 110 ARG 111 111 TYR 112 112 LYS 113 113 ASP 114 114 ALA 115 115 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 18229 Tfb1 100.00 119 100.00 100.00 5.13e-78 BMRB 18842 Tfb1 100.00 119 100.00 100.00 5.13e-78 BMRB 25540 RNA_polymerase_II_transcription_factor_B_subunit_1 100.00 115 100.00 100.00 4.87e-78 PDB 1Y5O "Nmr Structure Of The Amino-Terminal Domain From The Tfb1 Subunit Of Yeast Tfiih" 99.13 115 100.00 100.00 5.32e-77 PDB 2GS0 "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" 99.13 115 100.00 100.00 5.32e-77 PDB 2K2U "Nmr Structure Of The Complex Between Tfb1 Subunit Of Tfiih And The Activation Domain Of Vp16" 100.00 115 100.00 100.00 4.87e-78 PDB 2L2I "Nmr Structure Of The Complex Between The Tfb1 Subunit Of Tfiih And The Activation Domain Of Eklf" 100.00 115 100.00 100.00 4.87e-78 PDB 2LOX "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad2" 100.00 119 100.00 100.00 5.13e-78 PDB 2M14 "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad4" 100.00 119 100.00 100.00 5.13e-78 PDB 2MKR "Structural Characterization Of A Complex Between The Acidic Transactivation Domain Of Ebna2 And The Tfb1/p62 Subunit Of Tfiih." 100.00 115 100.00 100.00 4.87e-78 PDB 2N0Y "Nmr Structure Of The Complex Between The C-terminal Domain Of The Rift Valley Fever Virus Protein Nss And The Ph Domain Of The " 100.00 115 100.00 100.00 4.87e-78 DBJ GAA22531 "K7_Tfb1p [Saccharomyces cerevisiae Kyokai no. 7]" 99.13 642 100.00 100.00 1.32e-71 EMBL CAY78811 "Tfb1p [Saccharomyces cerevisiae EC1118]" 99.13 642 100.00 100.00 1.32e-71 GB AAA35143 "RNA polymerase II transcription factor b, 73 kDa subunit [Saccharomyces cerevisiae]" 99.13 642 100.00 100.00 1.32e-71 GB AAB64747 "Tfb1: RNA Polymerase II transcription factor B 73 kD subunit (Swiss Prot. accession number P32776) [Saccharomyces cerevisiae]" 99.13 642 100.00 100.00 1.32e-71 GB AAU09707 "YDR311W [Saccharomyces cerevisiae]" 99.13 642 100.00 100.00 1.46e-71 GB AHY75284 "Tfb1p [Saccharomyces cerevisiae YJM993]" 99.13 642 100.00 100.00 1.32e-71 GB AJP38011 "Tfb1p [Saccharomyces cerevisiae YJM1078]" 99.13 642 100.00 100.00 1.32e-71 REF NP_010597 "TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" 99.13 642 100.00 100.00 1.32e-71 SP P32776 "RecName: Full=RNA polymerase II transcription factor B subunit 1; AltName: Full=General transcription and DNA repair factor IIH" 99.13 642 100.00 100.00 1.32e-71 TPG DAA12150 "TPA: TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" 99.13 642 100.00 100.00 1.32e-71 stop_ save_ save_EBNA2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EBNA2 _Molecular_mass 1633.681 _Mol_thiol_state 'not present' _Details . _Residue_count 13 _Mol_residue_sequence DLDESWDYIFETT loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 453 ASP 2 454 LEU 3 455 ASP 4 456 GLU 5 457 SER 6 458 TRP 7 459 ASP 8 460 TYR 9 461 ILE 10 462 PHE 11 463 GLU 12 464 THR 13 465 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_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 _Gene_mnemonic $Tfb1 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae . TFB1 $EBNA2 'human herpesvirus 4' . . . Epstein-Barr virus B95-8 EBNA2 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 $Tfb1 'recombinant technology' . Escherichia coli TOPP2 PGEX-2T $EBNA2 'recombinant technology' . Escherichia coli TOPP2 PGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tfb1 0.7 mM '[U-13C; U-15N]' $EBNA2 2.1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tfb1 0.7 mM [U-15N] $EBNA2 2.1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tfb1 0.7 mM '[U-13C; U-15N]' $EBNA2 2.1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EBNA2 0.5 mM '[U-13C; U-15N]' $Tfb1 1.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EBNA2 0.5 mM '[U-100% 15N]' $Tfb1 1.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EBNA2 0.5 mM '[U-13C; U-15N]' $Tfb1 1.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version TALOS-N loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_6 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_6 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_6 save_ save_3D_1H-13C-12C_intermolecular_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-12C intermolecular NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C-12C_intermolecular_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-12C intermolecular NOESY' _Sample_label $sample_6 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_4 save_ save_3D_HNCACB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_H(CCO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_4 save_ save_3D_HCCH-COSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Tfb1 _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 3 3 HIS HA H 4.671 0.012 1 2 3 3 HIS HB2 H 3.005 0.016 2 3 3 3 HIS HB3 H 3.589 0.008 2 4 3 3 HIS HD2 H 7.078 0.001 1 5 3 3 HIS CA C 56.018 0.029 1 6 3 3 HIS CB C 31.012 0.007 1 7 3 3 HIS CD2 C 118.000 0.000 1 8 4 4 SER H H 7.846 0.006 1 9 4 4 SER HA H 5.476 0.011 1 10 4 4 SER HB2 H 3.868 0.005 2 11 4 4 SER HB3 H 3.868 0.005 2 12 4 4 SER CA C 56.911 0.087 1 13 4 4 SER CB C 66.007 0.015 1 14 4 4 SER N N 113.582 0.068 1 15 5 5 GLY H H 8.370 0.008 1 16 5 5 GLY HA2 H 4.066 0.003 2 17 5 5 GLY HA3 H 4.237 0.013 2 18 5 5 GLY CA C 45.598 0.048 1 19 5 5 GLY N N 106.287 0.012 1 20 6 6 ALA H H 8.641 0.003 1 21 6 6 ALA HA H 4.944 0.007 1 22 6 6 ALA HB H 1.535 0.004 1 23 6 6 ALA CA C 52.724 0.148 1 24 6 6 ALA CB C 19.191 0.006 1 25 6 6 ALA N N 125.234 0.060 1 26 7 7 ALA H H 8.383 0.006 1 27 7 7 ALA HA H 4.646 0.009 1 28 7 7 ALA HB H 0.981 0.008 1 29 7 7 ALA CA C 51.586 0.001 1 30 7 7 ALA CB C 23.812 0.063 1 31 7 7 ALA N N 120.006 0.068 1 32 8 8 ILE H H 9.350 0.005 1 33 8 8 ILE HA H 4.983 0.010 1 34 8 8 ILE HB H 1.560 0.008 1 35 8 8 ILE HG12 H 0.968 0.002 2 36 8 8 ILE HG13 H 1.484 0.005 2 37 8 8 ILE HG2 H 0.597 0.007 1 38 8 8 ILE HD1 H 0.765 0.003 1 39 8 8 ILE CA C 60.045 0.075 1 40 8 8 ILE CB C 39.721 0.041 1 41 8 8 ILE CG1 C 28.983 0.003 1 42 8 8 ILE CG2 C 17.522 0.078 1 43 8 8 ILE CD1 C 13.795 0.029 1 44 8 8 ILE N N 125.510 0.069 1 45 9 9 PHE H H 8.451 0.007 1 46 9 9 PHE HA H 4.285 0.012 1 47 9 9 PHE HB2 H 1.143 0.006 2 48 9 9 PHE HB3 H 0.289 0.009 2 49 9 9 PHE HD1 H 6.155 0.010 3 50 9 9 PHE HD2 H 6.155 0.010 3 51 9 9 PHE CA C 56.230 0.106 1 52 9 9 PHE CB C 39.649 0.088 1 53 9 9 PHE CD1 C 131.802 0.000 3 54 9 9 PHE CD2 C 131.802 0.000 3 55 9 9 PHE N N 129.603 0.145 1 56 10 10 GLU H H 8.689 0.001 1 57 10 10 GLU HA H 3.170 0.005 1 58 10 10 GLU HB2 H 1.228 0.010 2 59 10 10 GLU HB3 H 1.572 0.004 2 60 10 10 GLU HG2 H 0.628 0.004 2 61 10 10 GLU HG3 H 0.994 0.008 2 62 10 10 GLU CA C 56.764 0.050 1 63 10 10 GLU CB C 26.641 0.060 1 64 10 10 GLU CG C 35.403 0.011 1 65 10 10 GLU N N 126.293 0.055 1 66 11 11 LYS H H 7.878 0.002 1 67 11 11 LYS HA H 3.397 0.005 1 68 11 11 LYS HB2 H 2.179 0.007 2 69 11 11 LYS HB3 H 1.954 0.003 2 70 11 11 LYS HG2 H 1.193 0.006 1 71 11 11 LYS HG3 H 1.193 0.006 1 72 11 11 LYS HD2 H 1.562 0.005 1 73 11 11 LYS HD3 H 1.562 0.005 1 74 11 11 LYS HE2 H 2.900 0.000 1 75 11 11 LYS HE3 H 2.900 0.000 1 76 11 11 LYS CA C 58.589 0.077 1 77 11 11 LYS CB C 30.213 0.038 1 78 11 11 LYS CG C 25.523 0.017 1 79 11 11 LYS CD C 29.003 0.035 1 80 11 11 LYS CE C 42.092 0.018 1 81 11 11 LYS N N 105.640 0.002 1 82 12 12 VAL H H 7.923 0.007 1 83 12 12 VAL HA H 4.410 0.006 1 84 12 12 VAL HB H 2.527 0.008 1 85 12 12 VAL HG1 H 1.128 0.006 2 86 12 12 VAL HG2 H 1.477 0.006 2 87 12 12 VAL CA C 61.803 0.051 1 88 12 12 VAL CB C 34.310 0.059 1 89 12 12 VAL CG1 C 22.361 0.112 2 90 12 12 VAL CG2 C 22.463 0.055 2 91 12 12 VAL N N 123.788 0.064 1 92 13 13 SER H H 8.880 0.004 1 93 13 13 SER HA H 4.618 0.007 1 94 13 13 SER HB2 H 4.018 0.019 2 95 13 13 SER HB3 H 4.001 0.019 2 96 13 13 SER CA C 59.724 0.054 1 97 13 13 SER CB C 63.709 0.094 1 98 13 13 SER N N 121.865 0.004 1 99 14 14 GLY H H 8.283 0.006 1 100 14 14 GLY HA2 H 4.120 0.007 2 101 14 14 GLY HA3 H 4.343 0.012 2 102 14 14 GLY CA C 46.397 0.087 1 103 14 14 GLY N N 113.235 0.027 1 104 15 15 ILE H H 8.305 0.005 1 105 15 15 ILE HA H 4.807 0.010 1 106 15 15 ILE HB H 1.619 0.006 1 107 15 15 ILE HG12 H 1.361 0.003 2 108 15 15 ILE HG13 H 1.082 0.005 2 109 15 15 ILE HG2 H 0.767 0.008 1 110 15 15 ILE HD1 H 0.767 0.008 1 111 15 15 ILE CA C 59.373 0.039 1 112 15 15 ILE CB C 41.731 0.090 1 113 15 15 ILE CG1 C 27.368 0.066 1 114 15 15 ILE CG2 C 17.584 0.080 1 115 15 15 ILE CD1 C 12.152 0.061 1 116 15 15 ILE N N 123.254 0.060 1 117 16 16 ILE H H 9.425 0.003 1 118 16 16 ILE HA H 4.966 0.012 1 119 16 16 ILE HB H 1.603 0.001 1 120 16 16 ILE HG12 H 1.529 0.003 2 121 16 16 ILE HG13 H 0.765 0.004 2 122 16 16 ILE HG2 H 0.765 0.005 1 123 16 16 ILE HD1 H 0.129 0.006 1 124 16 16 ILE CA C 59.827 0.063 1 125 16 16 ILE CB C 41.896 0.039 1 126 16 16 ILE CG1 C 29.723 0.034 1 127 16 16 ILE CG2 C 16.351 0.000 1 128 16 16 ILE CD1 C 13.920 0.007 1 129 16 16 ILE N N 128.582 0.132 1 130 17 17 ALA H H 8.969 0.009 1 131 17 17 ALA HA H 5.092 0.009 1 132 17 17 ALA HB H 1.347 0.007 1 133 17 17 ALA CA C 51.225 0.180 1 134 17 17 ALA CB C 22.309 0.109 1 135 17 17 ALA N N 128.450 0.079 1 136 18 18 ILE H H 8.663 0.008 1 137 18 18 ILE HA H 4.573 0.012 1 138 18 18 ILE HB H 1.828 0.011 1 139 18 18 ILE HG12 H 1.530 0.006 1 140 18 18 ILE HG13 H 1.530 0.006 1 141 18 18 ILE HG2 H 0.689 0.007 1 142 18 18 ILE HD1 H 0.781 0.005 1 143 18 18 ILE CA C 60.692 0.119 1 144 18 18 ILE CB C 39.160 0.066 1 145 18 18 ILE CG1 C 28.703 0.014 1 146 18 18 ILE CG2 C 18.278 0.077 1 147 18 18 ILE CD1 C 14.909 0.015 1 148 18 18 ILE N N 122.347 0.060 1 149 19 19 ASN H H 9.375 0.009 1 150 19 19 ASN HA H 5.065 0.014 1 151 19 19 ASN HB2 H 3.108 0.011 2 152 19 19 ASN HB3 H 2.741 0.015 2 153 19 19 ASN CA C 51.685 0.193 1 154 19 19 ASN CB C 39.666 0.061 1 155 19 19 ASN N N 128.337 0.132 1 156 20 20 GLU H H 9.037 0.004 1 157 20 20 GLU HA H 4.692 0.008 1 158 20 20 GLU HB2 H 2.403 0.002 2 159 20 20 GLU HB3 H 2.000 0.017 2 160 20 20 GLU HG2 H 2.053 0.003 2 161 20 20 GLU HG3 H 2.190 0.010 2 162 20 20 GLU CA C 55.920 0.079 1 163 20 20 GLU CB C 30.883 0.107 1 164 20 20 GLU CG C 39.186 0.044 1 165 20 20 GLU N N 121.680 0.124 1 166 21 21 ASP H H 8.715 0.005 1 167 21 21 ASP HA H 4.608 0.007 1 168 21 21 ASP HB2 H 2.795 0.009 2 169 21 21 ASP HB3 H 2.880 0.011 2 170 21 21 ASP CA C 55.496 0.064 1 171 21 21 ASP CB C 40.690 0.088 1 172 21 21 ASP N N 121.002 0.004 1 173 22 22 VAL H H 6.833 0.007 1 174 22 22 VAL HA H 4.311 0.007 1 175 22 22 VAL HB H 1.999 0.005 1 176 22 22 VAL HG1 H 0.770 0.005 2 177 22 22 VAL HG2 H 0.819 0.007 2 178 22 22 VAL CA C 59.108 0.059 1 179 22 22 VAL CB C 34.034 0.027 1 180 22 22 VAL CG1 C 18.203 0.000 2 181 22 22 VAL CG2 C 21.235 0.029 2 182 22 22 VAL N N 113.093 0.065 1 183 23 23 SER H H 8.044 0.005 1 184 23 23 SER HA H 4.730 0.004 1 185 23 23 SER HB2 H 3.603 0.006 2 186 23 23 SER HB3 H 3.734 0.003 2 187 23 23 SER CA C 53.648 0.039 1 188 23 23 SER CB C 64.924 0.000 1 189 23 23 SER N N 114.961 0.067 1 190 24 24 PRO HA H 4.756 0.009 1 191 24 24 PRO HB2 H 1.815 0.008 2 192 24 24 PRO HB3 H 2.120 0.003 2 193 24 24 PRO HG2 H 1.818 0.008 2 194 24 24 PRO HG3 H 1.771 0.009 2 195 24 24 PRO HD2 H 3.468 0.006 2 196 24 24 PRO HD3 H 3.473 0.007 2 197 24 24 PRO CA C 62.854 0.050 1 198 24 24 PRO CB C 34.798 0.000 1 199 24 24 PRO CG C 26.037 0.000 1 200 24 24 PRO CD C 49.569 0.091 1 201 25 25 ALA H H 7.955 0.004 1 202 25 25 ALA HA H 4.504 0.009 1 203 25 25 ALA HB H 1.537 0.005 1 204 25 25 ALA CA C 52.535 0.166 1 205 25 25 ALA CB C 20.714 0.121 1 206 25 25 ALA N N 120.374 0.006 1 207 26 26 GLU H H 7.847 0.005 1 208 26 26 GLU HA H 5.034 0.008 1 209 26 26 GLU HB2 H 1.698 0.008 2 210 26 26 GLU HB3 H 1.777 0.007 2 211 26 26 GLU HG2 H 1.980 0.003 2 212 26 26 GLU HG3 H 2.334 0.008 2 213 26 26 GLU CA C 54.061 0.085 1 214 26 26 GLU CB C 34.528 0.048 1 215 26 26 GLU CG C 36.133 0.000 1 216 26 26 GLU N N 115.442 0.062 1 217 27 27 LEU H H 8.878 0.003 1 218 27 27 LEU HA H 5.021 0.010 1 219 27 27 LEU HB2 H 1.384 0.016 2 220 27 27 LEU HB3 H 1.624 0.009 2 221 27 27 LEU HG H 1.389 0.011 1 222 27 27 LEU HD1 H 0.565 0.007 2 223 27 27 LEU HD2 H 0.651 0.001 2 224 27 27 LEU CA C 53.585 0.174 1 225 27 27 LEU CB C 45.727 0.085 1 226 27 27 LEU CG C 27.230 0.171 1 227 27 27 LEU CD1 C 25.680 0.000 2 228 27 27 LEU CD2 C 27.102 0.000 2 229 27 27 LEU N N 124.501 0.011 1 230 28 28 THR H H 9.264 0.005 1 231 28 28 THR HA H 5.200 0.008 1 232 28 28 THR HB H 3.943 0.006 1 233 28 28 THR HG2 H 1.124 0.001 1 234 28 28 THR CA C 61.259 0.096 1 235 28 28 THR CB C 71.693 0.086 1 236 28 28 THR CG2 C 22.230 0.102 1 237 28 28 THR N N 121.690 0.075 1 238 29 29 TRP H H 9.429 0.008 1 239 29 29 TRP HA H 5.417 0.012 1 240 29 29 TRP HB2 H 3.156 0.017 2 241 29 29 TRP HB3 H 2.782 0.025 2 242 29 29 TRP HD1 H 6.676 0.009 1 243 29 29 TRP HZ2 H 7.632 0.008 1 244 29 29 TRP CA C 55.805 0.116 1 245 29 29 TRP CB C 32.181 0.102 1 246 29 29 TRP CD1 C 124.450 0.000 1 247 29 29 TRP CZ2 C 114.660 0.000 1 248 29 29 TRP N N 129.692 0.131 1 249 30 30 ARG H H 7.602 0.007 1 250 30 30 ARG HA H 4.813 0.007 1 251 30 30 ARG HB2 H 1.428 0.005 2 252 30 30 ARG HB3 H 1.524 0.002 2 253 30 30 ARG HG2 H 1.427 0.004 2 254 30 30 ARG HG3 H 1.581 0.001 2 255 30 30 ARG HD2 H 3.034 0.000 2 256 30 30 ARG HD3 H 3.099 0.007 2 257 30 30 ARG CA C 53.349 0.165 1 258 30 30 ARG CB C 33.832 0.025 1 259 30 30 ARG CG C 27.315 0.037 1 260 30 30 ARG CD C 43.569 0.054 1 261 30 30 ARG N N 126.426 0.060 1 262 31 31 SER H H 8.089 0.003 1 263 31 31 SER HA H 4.108 0.004 1 264 31 31 SER HB2 H 4.470 0.006 2 265 31 31 SER HB3 H 3.997 0.005 2 266 31 31 SER CA C 57.777 0.116 1 267 31 31 SER CB C 64.221 0.020 1 268 31 31 SER N N 118.496 0.066 1 269 32 32 THR H H 8.542 0.007 1 270 32 32 THR HA H 3.855 0.006 1 271 32 32 THR HB H 4.121 0.004 1 272 32 32 THR HG2 H 1.218 0.005 1 273 32 32 THR CA C 66.281 0.089 1 274 32 32 THR CB C 68.554 0.208 1 275 32 32 THR CG2 C 22.513 0.113 1 276 32 32 THR N N 119.210 0.000 1 277 33 33 ASP H H 8.220 0.002 1 278 33 33 ASP HA H 4.614 0.001 1 279 33 33 ASP HB2 H 2.690 0.000 2 280 33 33 ASP HB3 H 2.791 0.001 2 281 33 33 ASP CA C 54.460 0.000 1 282 33 33 ASP CB C 41.103 0.003 1 283 33 33 ASP N N 117.365 0.065 1 284 34 34 GLY H H 8.254 0.006 1 285 34 34 GLY HA2 H 4.126 0.010 2 286 34 34 GLY HA3 H 3.530 0.009 2 287 34 34 GLY CA C 45.622 0.099 1 288 34 34 GLY N N 107.685 0.063 1 289 35 35 ASP H H 8.257 0.004 1 290 35 35 ASP HA H 4.509 0.015 1 291 35 35 ASP HB2 H 2.649 0.003 2 292 35 35 ASP HB3 H 2.722 0.013 2 293 35 35 ASP CA C 54.826 0.124 1 294 35 35 ASP CB C 41.168 0.073 1 295 35 35 ASP N N 118.050 0.066 1 296 36 36 LYS H H 7.757 0.005 1 297 36 36 LYS HA H 4.813 0.008 1 298 36 36 LYS HB2 H 2.163 0.005 2 299 36 36 LYS HB3 H 1.913 0.001 2 300 36 36 LYS HG2 H 1.624 0.005 2 301 36 36 LYS HG3 H 1.740 0.004 2 302 36 36 LYS HD2 H 1.956 0.000 2 303 36 36 LYS HD3 H 1.989 0.010 2 304 36 36 LYS HE3 H 3.395 0.005 1 305 36 36 LYS CA C 55.533 0.144 1 306 36 36 LYS CB C 35.789 0.053 1 307 36 36 LYS CG C 25.303 0.006 1 308 36 36 LYS CD C 30.003 0.111 1 309 36 36 LYS CE C 42.494 0.000 1 310 36 36 LYS N N 120.447 0.070 1 311 37 37 VAL H H 8.535 0.004 1 312 37 37 VAL HA H 5.272 0.007 1 313 37 37 VAL HB H 2.036 0.006 1 314 37 37 VAL HG1 H 0.916 0.009 2 315 37 37 VAL HG2 H 0.919 0.004 2 316 37 37 VAL CA C 60.276 0.047 1 317 37 37 VAL CB C 35.955 0.067 1 318 37 37 VAL CG1 C 21.138 0.070 2 319 37 37 VAL CG2 C 21.112 0.085 2 320 37 37 VAL N N 121.785 0.000 1 321 38 38 HIS H H 9.656 0.005 1 322 38 38 HIS HA H 5.047 0.006 1 323 38 38 HIS HB2 H 2.780 0.010 2 324 38 38 HIS HB3 H 2.785 0.011 2 325 38 38 HIS HD2 H 6.026 0.003 1 326 38 38 HIS CA C 56.077 0.105 1 327 38 38 HIS CB C 34.269 0.118 1 328 38 38 HIS CD2 C 116.892 0.057 1 329 38 38 HIS N N 126.415 0.040 1 330 39 39 THR H H 8.349 0.011 1 331 39 39 THR HA H 5.138 0.007 1 332 39 39 THR HB H 3.735 0.007 1 333 39 39 THR HG2 H 0.973 0.011 1 334 39 39 THR CA C 61.509 0.034 1 335 39 39 THR CB C 71.004 0.084 1 336 39 39 THR CG2 C 21.906 0.131 1 337 39 39 THR N N 124.285 0.078 1 338 40 40 VAL H H 9.368 0.003 1 339 40 40 VAL HA H 3.906 0.006 1 340 40 40 VAL HB H 1.774 0.007 1 341 40 40 VAL HG1 H 0.361 0.005 2 342 40 40 VAL HG2 H 0.279 0.029 2 343 40 40 VAL CA C 60.445 0.187 1 344 40 40 VAL CB C 34.403 0.032 1 345 40 40 VAL CG1 C 21.024 0.080 2 346 40 40 VAL CG2 C 19.699 0.073 2 347 40 40 VAL N N 126.093 0.061 1 348 41 41 VAL H H 9.031 0.002 1 349 41 41 VAL HA H 3.973 0.002 1 350 41 41 VAL HB H 2.017 0.009 1 351 41 41 VAL HG1 H 1.005 0.008 2 352 41 41 VAL HG2 H 0.939 0.006 2 353 41 41 VAL CA C 63.777 0.061 1 354 41 41 VAL CB C 30.955 0.090 1 355 41 41 VAL CG1 C 22.285 0.006 2 356 41 41 VAL CG2 C 22.290 0.002 2 357 41 41 VAL N N 130.582 0.133 1 358 42 42 LEU H H 9.178 0.004 1 359 42 42 LEU HA H 3.933 0.007 1 360 42 42 LEU HB2 H 1.451 0.010 2 361 42 42 LEU HB3 H 1.780 0.004 2 362 42 42 LEU HG H 1.678 0.002 1 363 42 42 LEU HD1 H 0.732 0.014 2 364 42 42 LEU HD2 H 0.687 0.005 2 365 42 42 LEU CA C 58.672 0.103 1 366 42 42 LEU CB C 40.971 0.081 1 367 42 42 LEU CG C 27.200 0.076 1 368 42 42 LEU CD1 C 26.383 0.093 2 369 42 42 LEU CD2 C 22.730 0.057 2 370 42 42 LEU N N 130.805 0.065 1 371 43 43 SER H H 6.954 0.015 1 372 43 43 SER HA H 3.913 0.006 1 373 43 43 SER HB2 H 2.607 0.002 2 374 43 43 SER HB3 H 3.760 0.004 2 375 43 43 SER CA C 59.401 0.007 1 376 43 43 SER CB C 61.407 0.103 1 377 43 43 SER N N 109.190 0.108 1 378 44 44 THR H H 7.640 0.006 1 379 44 44 THR HA H 4.508 0.009 1 380 44 44 THR HB H 4.659 0.003 1 381 44 44 THR HG2 H 1.208 0.008 1 382 44 44 THR CA C 62.173 0.077 1 383 44 44 THR CB C 69.990 0.095 1 384 44 44 THR CG2 C 21.238 0.071 1 385 44 44 THR N N 110.305 0.010 1 386 45 45 ILE H H 7.100 0.006 1 387 45 45 ILE HA H 4.307 0.007 1 388 45 45 ILE HB H 2.302 0.006 1 389 45 45 ILE HG12 H 1.039 0.001 2 390 45 45 ILE HG13 H 1.683 0.000 2 391 45 45 ILE HG2 H 0.888 0.007 1 392 45 45 ILE HD1 H 0.586 0.005 1 393 45 45 ILE CA C 57.892 0.173 1 394 45 45 ILE CB C 36.526 0.016 1 395 45 45 ILE CG1 C 27.102 0.000 1 396 45 45 ILE CG2 C 19.282 0.092 1 397 45 45 ILE CD1 C 9.000 0.000 1 398 45 45 ILE N N 120.886 0.062 1 399 46 46 ASP H H 9.315 0.006 1 400 46 46 ASP HA H 4.690 0.006 1 401 46 46 ASP HB2 H 2.508 0.007 2 402 46 46 ASP HB3 H 2.444 0.013 2 403 46 46 ASP CA C 54.787 0.151 1 404 46 46 ASP CB C 44.737 0.079 1 405 46 46 ASP N N 126.383 0.090 1 406 47 47 LYS H H 7.534 0.008 1 407 47 47 LYS HA H 4.720 0.008 1 408 47 47 LYS HB2 H 1.661 0.003 2 409 47 47 LYS HB3 H 1.805 0.004 2 410 47 47 LYS HG2 H 1.244 0.000 2 411 47 47 LYS HG3 H 1.308 0.003 2 412 47 47 LYS HD2 H 1.659 0.005 1 413 47 47 LYS HD3 H 1.659 0.005 1 414 47 47 LYS HE2 H 2.916 0.000 2 415 47 47 LYS HE3 H 2.917 0.003 2 416 47 47 LYS CA C 54.531 0.028 1 417 47 47 LYS CB C 36.758 0.083 1 418 47 47 LYS CG C 24.247 0.061 1 419 47 47 LYS CD C 29.243 0.089 1 420 47 47 LYS CE C 41.845 0.108 1 421 47 47 LYS N N 112.478 0.063 1 422 48 48 LEU H H 8.743 0.001 1 423 48 48 LEU HA H 5.150 0.009 1 424 48 48 LEU HB2 H 1.322 0.008 2 425 48 48 LEU HB3 H 1.730 0.007 2 426 48 48 LEU HG H 1.568 0.007 1 427 48 48 LEU HD1 H 0.926 0.010 2 428 48 48 LEU HD2 H 0.914 0.011 2 429 48 48 LEU CA C 53.196 0.001 1 430 48 48 LEU CB C 44.860 0.134 1 431 48 48 LEU CG C 27.203 0.001 1 432 48 48 LEU N N 123.049 0.019 1 433 49 49 GLN H H 9.240 0.004 1 434 49 49 GLN HA H 5.004 0.007 1 435 49 49 GLN HB2 H 1.794 0.003 2 436 49 49 GLN HB3 H 1.955 0.005 2 437 49 49 GLN HG2 H 2.269 0.007 1 438 49 49 GLN HG3 H 2.269 0.007 1 439 49 49 GLN CA C 53.594 0.000 1 440 49 49 GLN CB C 33.068 0.070 1 441 49 49 GLN CG C 34.033 0.022 1 442 49 49 GLN N N 123.258 0.067 1 443 50 50 ALA H H 8.961 0.003 1 444 50 50 ALA HA H 5.712 0.013 1 445 50 50 ALA HB H 1.395 0.007 1 446 50 50 ALA CA C 50.008 0.004 1 447 50 50 ALA CB C 23.657 0.102 1 448 50 50 ALA N N 123.940 0.004 1 449 51 51 THR H H 8.278 0.004 1 450 51 51 THR HA H 4.400 0.007 1 451 51 51 THR HB H 4.232 0.002 1 452 51 51 THR HG2 H 0.845 0.004 1 453 51 51 THR CA C 59.398 0.000 1 454 51 51 THR CB C 68.031 0.000 1 455 51 51 THR CG2 C 23.917 0.041 1 456 51 51 THR N N 113.385 0.118 1 457 52 52 PRO HA H 4.613 0.002 1 458 52 52 PRO HB2 H 2.416 0.005 2 459 52 52 PRO HB3 H 2.063 0.004 2 460 52 52 PRO HG2 H 2.094 0.001 2 461 52 52 PRO HG3 H 1.990 0.003 2 462 52 52 PRO HD2 H 3.861 0.003 2 463 52 52 PRO HD3 H 3.497 0.003 2 464 52 52 PRO CA C 62.500 0.000 1 465 52 52 PRO CB C 32.600 0.000 1 466 52 52 PRO CG C 27.480 0.000 1 467 52 52 PRO CD C 50.506 0.000 1 468 53 53 ALA HA H 4.044 0.005 1 469 53 53 ALA HB H 1.448 0.006 1 470 53 53 ALA CA C 54.894 0.128 1 471 53 53 ALA CB C 18.087 0.059 1 472 54 54 SER H H 7.652 0.007 1 473 54 54 SER HA H 4.249 0.009 1 474 54 54 SER HB2 H 4.069 0.011 2 475 54 54 SER HB3 H 3.826 0.014 2 476 54 54 SER CA C 58.090 0.104 1 477 54 54 SER CB C 63.085 0.022 1 478 54 54 SER N N 107.320 0.005 1 479 55 55 SER H H 7.621 0.006 1 480 55 55 SER HA H 4.481 0.006 1 481 55 55 SER HB2 H 3.963 0.007 2 482 55 55 SER HB3 H 3.880 0.007 2 483 55 55 SER CA C 57.450 0.019 1 484 55 55 SER CB C 64.152 0.059 1 485 55 55 SER N N 116.965 0.063 1 486 56 56 GLU H H 8.900 0.005 1 487 56 56 GLU HA H 4.165 0.005 1 488 56 56 GLU HB2 H 2.126 0.006 2 489 56 56 GLU HB3 H 2.052 0.006 2 490 56 56 GLU HG2 H 2.379 0.001 2 491 56 56 GLU HG3 H 2.279 0.001 2 492 56 56 GLU CA C 57.790 0.019 1 493 56 56 GLU CB C 29.380 0.144 1 494 56 56 GLU CG C 36.399 0.025 1 495 56 56 GLU N N 125.504 0.065 1 496 57 57 LYS H H 8.046 0.004 1 497 57 57 LYS HA H 4.271 0.003 1 498 57 57 LYS HB2 H 1.698 0.010 2 499 57 57 LYS HB3 H 1.570 0.002 2 500 57 57 LYS HG2 H 1.367 0.004 1 501 57 57 LYS HG3 H 1.366 0.005 1 502 57 57 LYS HD2 H 1.569 0.002 1 503 57 57 LYS HD3 H 1.569 0.002 1 504 57 57 LYS HE2 H 2.897 0.001 1 505 57 57 LYS HE3 H 2.897 0.001 1 506 57 57 LYS CA C 55.301 0.000 1 507 57 57 LYS CB C 33.406 0.000 1 508 57 57 LYS CG C 25.203 0.001 1 509 57 57 LYS CD C 28.578 0.000 1 510 57 57 LYS CE C 42.406 0.000 1 511 57 57 LYS N N 118.852 0.066 1 512 58 58 MET H H 8.828 0.002 1 513 58 58 MET HA H 4.298 0.025 1 514 58 58 MET HB2 H 2.091 0.010 2 515 58 58 MET HB3 H 2.403 0.004 2 516 58 58 MET HG2 H 2.308 0.003 2 517 58 58 MET HG3 H 2.304 0.008 2 518 58 58 MET HE H 2.066 0.002 1 519 58 58 MET CA C 55.097 0.000 1 520 58 58 MET CB C 34.898 0.000 1 521 58 58 MET CG C 32.055 0.000 1 522 58 58 MET CE C 17.836 0.031 1 523 58 58 MET N N 124.569 0.029 1 524 59 59 MET H H 8.373 0.000 1 525 59 59 MET HA H 5.770 0.010 1 526 59 59 MET HB2 H 1.865 0.006 2 527 59 59 MET HB3 H 2.216 0.009 2 528 59 59 MET HG2 H 2.251 0.002 2 529 59 59 MET HG3 H 2.680 0.008 2 530 59 59 MET HE H 1.583 0.004 1 531 59 59 MET CA C 54.710 0.016 1 532 59 59 MET CB C 39.417 0.039 1 533 59 59 MET CG C 32.218 0.003 1 534 59 59 MET CE C 17.417 0.045 1 535 59 59 MET N N 120.987 0.000 1 536 60 60 LEU H H 9.029 0.006 1 537 60 60 LEU HA H 5.601 0.005 1 538 60 60 LEU HB2 H 1.857 0.010 2 539 60 60 LEU HB3 H 1.689 0.005 2 540 60 60 LEU HG H 1.857 0.009 1 541 60 60 LEU HD1 H 1.034 0.010 2 542 60 60 LEU HD2 H 0.875 0.016 2 543 60 60 LEU CA C 52.986 0.123 1 544 60 60 LEU CB C 47.341 0.158 1 545 60 60 LEU CG C 26.812 0.000 1 546 60 60 LEU CD1 C 25.398 0.022 2 547 60 60 LEU CD2 C 25.463 0.053 2 548 60 60 LEU N N 118.365 0.064 1 549 61 61 ARG H H 6.284 0.001 1 550 61 61 ARG HA H 5.443 0.013 1 551 61 61 ARG HB2 H 1.016 0.005 2 552 61 61 ARG HB3 H 1.330 0.006 2 553 61 61 ARG HG2 H 1.148 0.002 2 554 61 61 ARG HG3 H 1.017 0.002 2 555 61 61 ARG HD2 H 2.409 0.000 2 556 61 61 ARG HD3 H 2.703 0.001 2 557 61 61 ARG HE H 6.271 0.002 1 558 61 61 ARG CA C 54.634 0.065 1 559 61 61 ARG CB C 34.722 0.010 1 560 61 61 ARG CG C 26.141 0.000 1 561 61 61 ARG CD C 44.060 0.000 1 562 61 61 ARG N N 121.269 0.062 1 563 61 61 ARG NE N 114.915 0.097 1 564 62 62 LEU H H 9.255 0.005 1 565 62 62 LEU HA H 5.045 0.011 1 566 62 62 LEU HB2 H 1.909 0.008 2 567 62 62 LEU HB3 H 1.696 0.009 2 568 62 62 LEU HG H 1.843 0.006 1 569 62 62 LEU HD1 H 0.917 0.012 2 570 62 62 LEU HD2 H 1.003 0.010 2 571 62 62 LEU CA C 54.249 0.181 1 572 62 62 LEU CB C 43.062 0.062 1 573 62 62 LEU CG C 28.898 0.000 1 574 62 62 LEU CD1 C 26.563 0.000 2 575 62 62 LEU CD2 C 25.242 0.000 2 576 62 62 LEU N N 126.662 0.133 1 577 63 63 ILE H H 8.938 0.003 1 578 63 63 ILE HA H 4.605 0.013 1 579 63 63 ILE HB H 1.906 0.007 1 580 63 63 ILE HG12 H 1.285 0.009 2 581 63 63 ILE HG13 H 1.034 0.005 2 582 63 63 ILE HG2 H 1.040 0.008 1 583 63 63 ILE HD1 H 0.621 0.011 1 584 63 63 ILE CA C 59.838 0.091 1 585 63 63 ILE CB C 38.721 0.068 1 586 63 63 ILE CG1 C 27.233 0.000 1 587 63 63 ILE CG2 C 17.305 0.000 1 588 63 63 ILE CD1 C 11.966 0.024 1 589 63 63 ILE N N 123.421 0.066 1 590 64 64 GLY H H 9.326 0.005 1 591 64 64 GLY HA2 H 4.037 0.003 2 592 64 64 GLY HA3 H 4.706 0.012 2 593 64 64 GLY CA C 45.584 0.048 1 594 64 64 GLY N N 115.528 0.070 1 595 65 65 LYS H H 8.347 0.004 1 596 65 65 LYS HA H 4.289 0.005 1 597 65 65 LYS HB2 H 1.594 0.007 2 598 65 65 LYS HB3 H 1.899 0.007 2 599 65 65 LYS HG2 H 1.216 0.003 2 600 65 65 LYS HG3 H 1.414 0.006 2 601 65 65 LYS HD2 H 1.730 0.010 1 602 65 65 LYS HD3 H 1.730 0.010 1 603 65 65 LYS HE2 H 2.858 0.001 2 604 65 65 LYS HE3 H 2.949 0.010 2 605 65 65 LYS CA C 56.602 0.129 1 606 65 65 LYS CB C 34.433 0.056 1 607 65 65 LYS CG C 26.217 0.049 1 608 65 65 LYS CD C 29.454 0.126 1 609 65 65 LYS CE C 42.513 0.018 1 610 65 65 LYS N N 119.432 0.065 1 611 66 66 VAL H H 8.627 0.005 1 612 66 66 VAL HA H 4.082 0.006 1 613 66 66 VAL HB H 1.969 0.007 1 614 66 66 VAL HG1 H 0.899 0.005 2 615 66 66 VAL HG2 H 0.838 0.006 2 616 66 66 VAL CA C 62.229 0.055 1 617 66 66 VAL CB C 33.298 0.024 1 618 66 66 VAL CG1 C 21.377 0.026 2 619 66 66 VAL CG2 C 21.544 0.139 2 620 66 66 VAL N N 122.174 0.067 1 621 67 67 ASP H H 8.450 0.004 1 622 67 67 ASP HA H 4.708 0.005 1 623 67 67 ASP HB2 H 2.589 0.009 2 624 67 67 ASP HB3 H 2.824 0.011 2 625 67 67 ASP CA C 53.107 0.189 1 626 67 67 ASP CB C 40.988 0.063 1 627 67 67 ASP N N 125.488 0.065 1 628 68 68 GLU H H 8.748 0.003 1 629 68 68 GLU HA H 4.103 0.004 1 630 68 68 GLU HB2 H 2.174 0.004 2 631 68 68 GLU HB3 H 1.993 0.006 2 632 68 68 GLU HG2 H 2.356 0.005 2 633 68 68 GLU HG3 H 2.246 0.005 2 634 68 68 GLU CA C 57.718 0.054 1 635 68 68 GLU CB C 29.619 0.041 1 636 68 68 GLU CG C 36.508 0.004 1 637 68 68 GLU N N 124.482 0.069 1 638 69 69 SER H H 8.488 0.007 1 639 69 69 SER HA H 4.321 0.007 1 640 69 69 SER HB2 H 3.947 0.003 2 641 69 69 SER HB3 H 3.982 0.015 2 642 69 69 SER CA C 60.088 0.001 1 643 69 69 SER CB C 63.235 0.001 1 644 69 69 SER N N 115.608 0.065 1 645 70 70 LYS H H 7.698 0.005 1 646 70 70 LYS HA H 4.400 0.007 1 647 70 70 LYS HB2 H 1.760 0.008 2 648 70 70 LYS HB3 H 1.933 0.003 2 649 70 70 LYS HG2 H 1.463 0.003 2 650 70 70 LYS HG3 H 1.351 0.004 2 651 70 70 LYS HD2 H 1.659 0.001 1 652 70 70 LYS HD3 H 1.660 0.001 1 653 70 70 LYS HE2 H 2.914 0.001 1 654 70 70 LYS HE3 H 2.914 0.001 1 655 70 70 LYS CA C 55.358 0.088 1 656 70 70 LYS CB C 32.498 0.034 1 657 70 70 LYS CG C 24.799 0.009 1 658 70 70 LYS CD C 29.102 0.000 1 659 70 70 LYS CE C 42.000 0.000 1 660 70 70 LYS N N 121.729 0.067 1 661 71 71 LYS H H 7.754 0.004 1 662 71 71 LYS HA H 4.389 0.010 1 663 71 71 LYS HB2 H 1.793 0.011 2 664 71 71 LYS HB3 H 1.773 0.008 2 665 71 71 LYS HG2 H 1.473 0.004 2 666 71 71 LYS HG3 H 1.373 0.006 2 667 71 71 LYS HD2 H 1.662 0.004 1 668 71 71 LYS HD3 H 1.662 0.004 1 669 71 71 LYS HE2 H 2.994 0.003 1 670 71 71 LYS HE3 H 2.994 0.003 1 671 71 71 LYS CA C 56.609 0.000 1 672 71 71 LYS CB C 33.261 0.101 1 673 71 71 LYS CG C 25.020 0.015 1 674 71 71 LYS CD C 28.449 0.129 1 675 71 71 LYS CE C 43.406 0.000 1 676 71 71 LYS N N 121.014 0.065 1 677 72 72 ARG H H 8.400 0.002 1 678 72 72 ARG HA H 4.576 0.009 1 679 72 72 ARG HB2 H 1.756 0.011 2 680 72 72 ARG HB3 H 1.885 0.002 2 681 72 72 ARG HG2 H 1.594 0.002 1 682 72 72 ARG HG3 H 1.594 0.002 1 683 72 72 ARG HD2 H 3.201 0.001 2 684 72 72 ARG HD3 H 3.199 0.002 2 685 72 72 ARG CA C 55.033 0.160 1 686 72 72 ARG CB C 32.195 0.000 1 687 72 72 ARG CG C 26.843 0.000 1 688 72 72 ARG CD C 43.572 0.084 1 689 72 72 ARG N N 122.136 0.041 1 690 73 73 LYS H H 8.399 0.003 1 691 73 73 LYS HA H 4.881 0.017 1 692 73 73 LYS HB2 H 1.731 0.006 1 693 73 73 LYS HB3 H 1.731 0.006 1 694 73 73 LYS HG2 H 1.320 0.007 2 695 73 73 LYS HG3 H 1.413 0.001 2 696 73 73 LYS HD2 H 1.615 0.007 1 697 73 73 LYS HD3 H 1.615 0.007 1 698 73 73 LYS HE2 H 2.963 0.000 1 699 73 73 LYS HE3 H 2.963 0.000 1 700 73 73 LYS CA C 55.369 0.089 1 701 73 73 LYS CB C 34.567 0.060 1 702 73 73 LYS CG C 25.016 0.060 1 703 73 73 LYS CD C 29.036 0.090 1 704 73 73 LYS CE C 42.197 0.013 1 705 73 73 LYS N N 121.365 0.065 1 706 74 74 ASP H H 8.570 0.003 1 707 74 74 ASP HA H 4.640 0.006 1 708 74 74 ASP HB2 H 2.639 0.005 2 709 74 74 ASP HB3 H 3.138 0.011 2 710 74 74 ASP CA C 52.882 0.195 1 711 74 74 ASP CB C 40.407 0.003 1 712 74 74 ASP N N 122.006 0.066 1 713 75 75 ASN H H 8.417 0.003 1 714 75 75 ASN HA H 4.541 0.005 1 715 75 75 ASN HB2 H 2.859 0.006 2 716 75 75 ASN HB3 H 2.858 0.009 2 717 75 75 ASN CA C 54.798 0.095 1 718 75 75 ASN CB C 38.242 0.030 1 719 75 75 ASN N N 116.314 0.066 1 720 76 76 GLU H H 8.166 0.007 1 721 76 76 GLU HA H 4.372 0.008 1 722 76 76 GLU HB2 H 1.971 0.005 2 723 76 76 GLU HB3 H 2.221 0.006 2 724 76 76 GLU HG2 H 2.221 0.006 2 725 76 76 GLU HG3 H 2.224 0.001 2 726 76 76 GLU CA C 56.163 0.000 1 727 76 76 GLU CB C 30.203 0.001 1 728 76 76 GLU CG C 36.814 0.002 1 729 76 76 GLU N N 119.074 0.064 1 730 77 77 GLY H H 8.115 0.006 1 731 77 77 GLY HA2 H 3.680 0.005 2 732 77 77 GLY HA3 H 4.195 0.006 2 733 77 77 GLY CA C 45.278 0.029 1 734 77 77 GLY N N 107.105 0.005 1 735 78 78 ASN H H 8.545 0.006 1 736 78 78 ASN HA H 4.741 0.005 1 737 78 78 ASN HB2 H 2.663 0.005 2 738 78 78 ASN HB3 H 2.849 0.007 2 739 78 78 ASN HD21 H 7.046 0.000 1 740 78 78 ASN HD22 H 8.198 0.000 1 741 78 78 ASN CA C 52.832 0.108 1 742 78 78 ASN CB C 39.118 0.025 1 743 78 78 ASN N N 119.847 0.066 1 744 79 79 GLU H H 8.681 0.003 1 745 79 79 GLU HA H 4.459 0.010 1 746 79 79 GLU HB2 H 1.927 0.004 1 747 79 79 GLU HB3 H 1.927 0.004 1 748 79 79 GLU HG2 H 2.268 0.008 2 749 79 79 GLU HG3 H 2.103 0.008 2 750 79 79 GLU CA C 56.747 0.077 1 751 79 79 GLU CB C 30.605 0.006 1 752 79 79 GLU CG C 36.903 0.009 1 753 79 79 GLU N N 121.696 0.067 1 754 80 80 VAL H H 8.551 0.003 1 755 80 80 VAL HA H 4.238 0.008 1 756 80 80 VAL HB H 1.965 0.007 1 757 80 80 VAL HG1 H 0.863 0.007 2 758 80 80 VAL HG2 H 0.874 0.024 2 759 80 80 VAL CA C 61.531 0.120 1 760 80 80 VAL CB C 33.500 0.082 1 761 80 80 VAL CG1 C 20.206 0.004 1 762 80 80 VAL CG2 C 20.206 0.004 1 763 80 80 VAL N N 123.885 0.067 1 764 81 81 VAL H H 8.397 0.002 1 765 81 81 VAL HA H 4.419 0.006 1 766 81 81 VAL HB H 2.041 0.006 1 767 81 81 VAL HG1 H 0.972 0.001 2 768 81 81 VAL HG2 H 0.976 0.006 2 769 81 81 VAL CA C 59.529 0.035 1 770 81 81 VAL CB C 32.822 0.000 1 771 81 81 VAL CG1 C 20.484 0.000 1 772 81 81 VAL CG2 C 20.484 0.000 1 773 81 81 VAL N N 126.595 0.065 1 774 82 82 PRO HA H 4.421 0.007 1 775 82 82 PRO HB2 H 1.872 0.006 2 776 82 82 PRO HB3 H 2.265 0.005 2 777 82 82 PRO HG2 H 1.948 0.004 2 778 82 82 PRO HG3 H 2.037 0.003 2 779 82 82 PRO HD2 H 3.856 0.007 2 780 82 82 PRO HD3 H 3.638 0.014 2 781 82 82 PRO CA C 62.661 0.027 1 782 82 82 PRO CB C 32.336 0.001 1 783 82 82 PRO CG C 27.463 0.011 1 784 82 82 PRO CD C 50.920 0.019 1 785 83 83 LYS H H 8.309 0.003 1 786 83 83 LYS HA H 4.562 0.004 1 787 83 83 LYS HB2 H 1.794 0.005 2 788 83 83 LYS HB3 H 1.683 0.005 2 789 83 83 LYS HG2 H 1.488 0.007 2 790 83 83 LYS HG3 H 1.553 0.003 2 791 83 83 LYS HD2 H 1.554 0.005 2 792 83 83 LYS HD3 H 1.681 0.007 2 793 83 83 LYS HE2 H 2.874 0.001 1 794 83 83 LYS HE3 H 2.874 0.001 1 795 83 83 LYS CA C 53.596 0.064 1 796 83 83 LYS CB C 32.408 0.022 1 797 83 83 LYS CG C 24.570 0.000 1 798 83 83 LYS CD C 29.391 0.000 1 799 83 83 LYS CE C 41.016 0.000 1 800 83 83 LYS N N 121.854 0.067 1 801 84 84 PRO HA H 4.303 0.005 1 802 84 84 PRO HB2 H 1.793 0.004 2 803 84 84 PRO HB3 H 2.230 0.006 2 804 84 84 PRO HG2 H 1.911 0.001 1 805 84 84 PRO HG3 H 1.911 0.001 1 806 84 84 PRO HD2 H 3.617 0.002 2 807 84 84 PRO HD3 H 3.773 0.002 2 808 84 84 PRO CA C 62.543 0.016 1 809 84 84 PRO CB C 32.729 0.024 1 810 84 84 PRO CG C 27.252 0.019 1 811 84 84 PRO CD C 50.319 0.046 1 812 85 85 GLN H H 8.461 0.004 1 813 85 85 GLN HA H 4.143 0.009 1 814 85 85 GLN HB2 H 1.835 0.010 2 815 85 85 GLN HB3 H 1.930 0.006 2 816 85 85 GLN HG2 H 2.229 0.007 2 817 85 85 GLN HG3 H 2.340 0.006 2 818 85 85 GLN CA C 56.055 0.099 1 819 85 85 GLN CB C 29.738 0.075 1 820 85 85 GLN CG C 34.162 0.005 1 821 85 85 GLN N N 121.286 0.065 1 822 86 86 ARG H H 8.247 0.002 1 823 86 86 ARG HA H 5.167 0.006 1 824 86 86 ARG HB2 H 1.647 0.004 2 825 86 86 ARG HB3 H 1.382 0.007 2 826 86 86 ARG HG2 H 1.384 0.006 2 827 86 86 ARG HG3 H 1.610 0.010 2 828 86 86 ARG HD2 H 2.988 0.006 1 829 86 86 ARG HD3 H 2.988 0.006 1 830 86 86 ARG CA C 54.514 0.135 1 831 86 86 ARG CB C 33.327 0.041 1 832 86 86 ARG CG C 27.411 0.009 1 833 86 86 ARG CD C 43.757 0.001 1 834 86 86 ARG N N 120.981 0.003 1 835 87 87 HIS H H 8.613 0.007 1 836 87 87 HIS HA H 4.724 0.004 1 837 87 87 HIS HB2 H 2.724 0.013 2 838 87 87 HIS HB3 H 3.186 0.013 2 839 87 87 HIS HD1 H 6.659 0.012 1 840 87 87 HIS HD2 H 6.668 0.005 1 841 87 87 HIS CA C 54.106 0.001 1 842 87 87 HIS CB C 33.449 0.011 1 843 87 87 HIS CD2 C 118.134 0.000 1 844 87 87 HIS N N 120.562 0.059 1 845 88 88 MET H H 8.732 0.003 1 846 88 88 MET HA H 5.284 0.010 1 847 88 88 MET HB2 H 1.579 0.007 2 848 88 88 MET HB3 H 1.940 0.015 2 849 88 88 MET HG2 H 2.214 0.010 2 850 88 88 MET HG3 H 2.336 0.014 2 851 88 88 MET HE H 1.709 0.003 1 852 88 88 MET CA C 54.720 0.097 1 853 88 88 MET CB C 36.014 0.030 1 854 88 88 MET CG C 32.339 0.011 1 855 88 88 MET CE C 17.442 0.033 1 856 88 88 MET N N 126.389 0.065 1 857 89 89 PHE H H 9.005 0.005 1 858 89 89 PHE HA H 5.192 0.009 1 859 89 89 PHE HB2 H 2.623 0.002 2 860 89 89 PHE HB3 H 2.568 0.008 2 861 89 89 PHE HD1 H 6.824 0.000 3 862 89 89 PHE HD2 H 6.824 0.000 3 863 89 89 PHE CA C 56.246 0.001 1 864 89 89 PHE CB C 44.171 0.009 1 865 89 89 PHE CD1 C 130.852 0.000 3 866 89 89 PHE CD2 C 130.852 0.000 3 867 89 89 PHE N N 122.260 0.067 1 868 90 90 SER H H 8.652 0.008 1 869 90 90 SER HA H 5.637 0.012 1 870 90 90 SER HB2 H 3.805 0.007 2 871 90 90 SER HB3 H 3.687 0.007 2 872 90 90 SER CA C 56.750 0.112 1 873 90 90 SER CB C 64.977 0.020 1 874 90 90 SER N N 115.889 0.050 1 875 91 91 PHE H H 8.970 0.003 1 876 91 91 PHE HA H 4.879 0.021 1 877 91 91 PHE HB2 H 2.793 0.010 2 878 91 91 PHE HB3 H 3.302 0.008 2 879 91 91 PHE HD1 H 7.465 0.000 3 880 91 91 PHE HD2 H 7.465 0.000 3 881 91 91 PHE CA C 57.418 0.022 1 882 91 91 PHE CB C 43.524 0.044 1 883 91 91 PHE CD1 C 131.847 0.000 3 884 91 91 PHE CD2 C 131.847 0.000 3 885 91 91 PHE N N 120.746 0.104 1 886 92 92 ASN H H 9.113 0.004 1 887 92 92 ASN HA H 5.091 0.008 1 888 92 92 ASN HB2 H 2.897 0.007 2 889 92 92 ASN HB3 H 2.899 0.009 2 890 92 92 ASN CA C 52.517 0.121 1 891 92 92 ASN CB C 39.934 0.051 1 892 92 92 ASN N N 115.909 0.075 1 893 93 93 ASN H H 7.266 0.012 1 894 93 93 ASN HA H 4.900 0.008 1 895 93 93 ASN HB2 H 2.837 0.028 2 896 93 93 ASN HB3 H 2.887 0.002 2 897 93 93 ASN CA C 53.078 0.102 1 898 93 93 ASN CB C 41.874 0.065 1 899 93 93 ASN N N 118.503 0.070 1 900 94 94 ARG H H 9.309 0.004 1 901 94 94 ARG HA H 3.857 0.013 1 902 94 94 ARG HB2 H 1.800 0.003 2 903 94 94 ARG HB3 H 2.010 0.006 2 904 94 94 ARG HG2 H 1.650 0.000 2 905 94 94 ARG HG3 H 1.799 0.002 2 906 94 94 ARG HD2 H 3.115 0.003 2 907 94 94 ARG HD3 H 3.386 0.004 2 908 94 94 ARG CA C 59.154 0.062 1 909 94 94 ARG CB C 30.101 0.002 1 910 94 94 ARG CG C 26.420 0.053 1 911 94 94 ARG CD C 42.736 0.018 1 912 94 94 ARG N N 130.177 0.129 1 913 95 95 THR H H 7.970 0.007 1 914 95 95 THR HA H 4.008 0.009 1 915 95 95 THR HB H 4.313 0.002 1 916 95 95 THR HG2 H 1.278 0.009 1 917 95 95 THR CA C 66.418 0.001 1 918 95 95 THR CB C 67.841 0.002 1 919 95 95 THR CG2 C 21.727 0.001 1 920 95 95 THR N N 115.564 0.003 1 921 96 96 VAL H H 7.585 0.005 1 922 96 96 VAL HA H 3.777 0.008 1 923 96 96 VAL HB H 2.365 0.011 1 924 96 96 VAL HG1 H 1.224 0.012 2 925 96 96 VAL HG2 H 1.257 0.017 2 926 96 96 VAL CA C 66.018 0.049 1 927 96 96 VAL CB C 32.273 0.046 1 928 96 96 VAL CG1 C 22.234 0.001 2 929 96 96 VAL CG2 C 21.218 0.002 2 930 96 96 VAL N N 121.776 0.067 1 931 97 97 MET H H 7.324 0.007 1 932 97 97 MET HA H 2.353 0.004 1 933 97 97 MET HB2 H 1.109 0.001 2 934 97 97 MET HB3 H 1.919 0.000 2 935 97 97 MET HG2 H 1.919 0.000 2 936 97 97 MET HG3 H 1.539 0.001 2 937 97 97 MET HE H 2.102 0.010 1 938 97 97 MET CA C 59.703 0.005 1 939 97 97 MET CB C 32.302 0.003 1 940 97 97 MET CG C 32.502 0.000 1 941 97 97 MET CE C 19.173 0.066 1 942 97 97 MET N N 117.500 0.069 1 943 98 98 ASP H H 8.705 0.006 1 944 98 98 ASP HA H 4.281 0.011 1 945 98 98 ASP HB2 H 2.548 0.006 2 946 98 98 ASP HB3 H 2.711 0.005 2 947 98 98 ASP CA C 57.434 0.045 1 948 98 98 ASP CB C 39.964 0.059 1 949 98 98 ASP N N 118.161 0.063 1 950 99 99 ASN H H 8.094 0.004 1 951 99 99 ASN HA H 4.451 0.007 1 952 99 99 ASN HB2 H 2.762 0.020 2 953 99 99 ASN HB3 H 3.026 0.007 2 954 99 99 ASN CA C 55.838 0.001 1 955 99 99 ASN CB C 38.401 0.049 1 956 99 99 ASN N N 120.218 0.064 1 957 100 100 ILE H H 8.035 0.007 1 958 100 100 ILE HA H 3.635 0.007 1 959 100 100 ILE HB H 1.901 0.007 1 960 100 100 ILE HG12 H 1.283 0.004 2 961 100 100 ILE HG13 H 1.548 0.006 2 962 100 100 ILE HG2 H 0.700 0.005 1 963 100 100 ILE HD1 H 0.534 0.010 1 964 100 100 ILE CA C 62.888 0.016 1 965 100 100 ILE CB C 35.731 0.016 1 966 100 100 ILE CG1 C 28.503 0.011 1 967 100 100 ILE CG2 C 17.000 0.001 1 968 100 100 ILE CD1 C 9.796 0.001 1 969 100 100 ILE N N 121.139 0.067 1 970 101 101 LYS H H 8.911 0.005 1 971 101 101 LYS HA H 3.642 0.008 1 972 101 101 LYS HB2 H 1.846 0.003 2 973 101 101 LYS HB3 H 2.052 0.010 2 974 101 101 LYS HG2 H 1.284 0.008 2 975 101 101 LYS HG3 H 1.350 0.001 2 976 101 101 LYS HD2 H 1.523 0.001 2 977 101 101 LYS HD3 H 1.622 0.004 2 978 101 101 LYS HE2 H 2.866 0.002 2 979 101 101 LYS HE3 H 2.866 0.001 2 980 101 101 LYS CA C 60.381 0.016 1 981 101 101 LYS CB C 32.801 0.037 1 982 101 101 LYS CG C 24.215 0.041 1 983 101 101 LYS CD C 29.513 0.015 1 984 101 101 LYS CE C 41.524 0.039 1 985 101 101 LYS N N 120.778 0.067 1 986 102 102 MET H H 8.043 0.005 1 987 102 102 MET HA H 4.183 0.009 1 988 102 102 MET HB2 H 2.147 0.006 2 989 102 102 MET HB3 H 2.246 0.012 2 990 102 102 MET HG2 H 2.707 0.006 2 991 102 102 MET HG3 H 2.630 0.009 2 992 102 102 MET HE H 2.096 0.000 1 993 102 102 MET CA C 58.598 0.000 1 994 102 102 MET CB C 32.203 0.000 1 995 102 102 MET CG C 31.897 0.000 1 996 102 102 MET CE C 17.071 0.102 1 997 102 102 MET N N 116.806 0.067 1 998 103 103 THR H H 7.683 0.010 1 999 103 103 THR HA H 3.851 0.007 1 1000 103 103 THR HB H 3.981 0.040 1 1001 103 103 THR HG2 H 0.778 0.010 1 1002 103 103 THR CA C 66.460 0.001 1 1003 103 103 THR CB C 68.233 0.140 1 1004 103 103 THR CG2 C 22.422 0.109 1 1005 103 103 THR N N 117.934 0.000 1 1006 104 104 LEU H H 8.542 0.008 1 1007 104 104 LEU HA H 3.872 0.000 1 1008 104 104 LEU HB2 H 2.105 0.007 2 1009 104 104 LEU HB3 H 1.127 0.008 2 1010 104 104 LEU HG H 1.894 0.008 1 1011 104 104 LEU HD1 H 0.720 0.007 2 1012 104 104 LEU HD2 H 0.796 0.005 2 1013 104 104 LEU CA C 58.007 0.021 1 1014 104 104 LEU CB C 42.997 0.042 1 1015 104 104 LEU CG C 26.406 0.000 1 1016 104 104 LEU CD1 C 26.914 0.000 2 1017 104 104 LEU CD2 C 24.781 0.000 2 1018 104 104 LEU N N 119.371 0.011 1 1019 105 105 GLN H H 8.726 0.002 1 1020 105 105 GLN HA H 3.907 0.009 1 1021 105 105 GLN HB2 H 2.121 0.014 2 1022 105 105 GLN HB3 H 2.260 0.007 2 1023 105 105 GLN HG2 H 2.382 0.001 2 1024 105 105 GLN HG3 H 2.464 0.004 2 1025 105 105 GLN CA C 59.305 0.000 1 1026 105 105 GLN CB C 28.375 0.001 1 1027 105 105 GLN CG C 34.265 0.000 1 1028 105 105 GLN N N 118.153 0.066 1 1029 106 106 GLN H H 7.588 0.006 1 1030 106 106 GLN HA H 4.052 0.008 1 1031 106 106 GLN HB2 H 2.176 0.007 2 1032 106 106 GLN HB3 H 2.314 0.008 2 1033 106 106 GLN HG2 H 2.407 0.002 2 1034 106 106 GLN HG3 H 2.594 0.003 2 1035 106 106 GLN CA C 58.747 0.061 1 1036 106 106 GLN CB C 28.417 0.074 1 1037 106 106 GLN CG C 34.061 0.006 1 1038 106 106 GLN N N 118.162 0.064 1 1039 107 107 ILE H H 7.816 0.005 1 1040 107 107 ILE HA H 3.461 0.007 1 1041 107 107 ILE HB H 1.672 0.004 1 1042 107 107 ILE HG12 H 1.914 0.011 2 1043 107 107 ILE HG13 H 0.903 0.005 2 1044 107 107 ILE HG2 H 0.835 0.008 1 1045 107 107 ILE HD1 H 0.635 0.004 1 1046 107 107 ILE CA C 65.536 0.021 1 1047 107 107 ILE CB C 39.172 0.020 1 1048 107 107 ILE CG1 C 28.882 0.002 1 1049 107 107 ILE CG2 C 18.784 0.005 1 1050 107 107 ILE CD1 C 15.985 0.000 1 1051 107 107 ILE N N 120.255 0.000 1 1052 108 108 ILE H H 8.727 0.005 1 1053 108 108 ILE HA H 3.789 0.008 1 1054 108 108 ILE HB H 1.859 0.006 1 1055 108 108 ILE HG12 H 1.690 0.005 2 1056 108 108 ILE HG13 H 1.226 0.007 2 1057 108 108 ILE HG2 H 0.917 0.008 1 1058 108 108 ILE HD1 H 0.748 0.007 1 1059 108 108 ILE CA C 65.619 0.099 1 1060 108 108 ILE CB C 38.319 0.048 1 1061 108 108 ILE CG1 C 29.187 0.001 1 1062 108 108 ILE CG2 C 17.408 0.003 1 1063 108 108 ILE CD1 C 15.478 0.002 1 1064 108 108 ILE N N 117.519 0.066 1 1065 109 109 SER H H 7.836 0.006 1 1066 109 109 SER HA H 4.204 0.007 1 1067 109 109 SER HB2 H 4.003 0.006 1 1068 109 109 SER HB3 H 4.003 0.006 1 1069 109 109 SER CA C 61.715 0.082 1 1070 109 109 SER CB C 62.696 0.005 1 1071 109 109 SER N N 114.275 0.065 1 1072 110 110 ARG H H 7.552 0.006 1 1073 110 110 ARG HA H 4.114 0.007 1 1074 110 110 ARG HB2 H 1.668 0.005 1 1075 110 110 ARG HB3 H 1.668 0.005 1 1076 110 110 ARG HG2 H 1.521 0.005 2 1077 110 110 ARG HG3 H 1.668 0.005 2 1078 110 110 ARG HD2 H 3.149 0.006 2 1079 110 110 ARG HD3 H 2.998 0.001 2 1080 110 110 ARG CA C 58.274 0.000 1 1081 110 110 ARG CB C 29.794 0.006 1 1082 110 110 ARG CG C 27.068 0.030 1 1083 110 110 ARG CD C 43.963 0.003 1 1084 110 110 ARG N N 121.119 0.000 1 1085 111 111 TYR H H 7.455 0.005 1 1086 111 111 TYR HA H 4.771 0.011 1 1087 111 111 TYR HB2 H 3.057 0.009 2 1088 111 111 TYR HB3 H 3.402 0.012 2 1089 111 111 TYR HD1 H 7.097 0.001 3 1090 111 111 TYR HD2 H 7.097 0.001 3 1091 111 111 TYR HE1 H 6.722 0.001 3 1092 111 111 TYR HE2 H 6.722 0.001 3 1093 111 111 TYR CA C 57.679 0.014 1 1094 111 111 TYR CB C 37.584 0.023 1 1095 111 111 TYR CD1 C 131.869 0.000 3 1096 111 111 TYR CD2 C 131.869 0.000 3 1097 111 111 TYR CE1 C 117.766 0.000 3 1098 111 111 TYR CE2 C 117.766 0.000 3 1099 111 111 TYR N N 117.159 0.065 1 1100 112 112 LYS H H 7.767 0.003 1 1101 112 112 LYS HA H 4.350 0.008 1 1102 112 112 LYS HB2 H 1.951 0.007 1 1103 112 112 LYS HB3 H 1.951 0.007 1 1104 112 112 LYS HG2 H 1.579 0.003 2 1105 112 112 LYS HG3 H 1.666 0.004 2 1106 112 112 LYS HD2 H 1.801 0.000 1 1107 112 112 LYS HD3 H 1.801 0.000 1 1108 112 112 LYS HE3 H 3.096 0.000 1 1109 112 112 LYS CA C 57.422 0.046 1 1110 112 112 LYS CB C 32.969 0.201 1 1111 112 112 LYS CG C 24.531 0.045 1 1112 112 112 LYS CD C 28.907 0.052 1 1113 112 112 LYS CE C 42.048 0.032 1 1114 112 112 LYS N N 121.022 0.066 1 1115 113 113 ASP H H 8.284 0.005 1 1116 113 113 ASP HA H 4.622 0.003 1 1117 113 113 ASP HB2 H 2.706 0.016 2 1118 113 113 ASP HB3 H 2.774 0.009 2 1119 113 113 ASP CA C 54.316 0.001 1 1120 113 113 ASP CB C 41.040 0.035 1 1121 113 113 ASP N N 120.691 0.066 1 1122 114 114 ALA H H 8.025 0.006 1 1123 114 114 ALA HA H 4.341 0.005 1 1124 114 114 ALA HB H 1.483 0.006 1 1125 114 114 ALA CA C 52.958 0.091 1 1126 114 114 ALA CB C 18.898 0.000 1 1127 114 114 ALA N N 123.637 0.004 1 1128 115 115 ASP H H 8.228 0.005 1 1129 115 115 ASP HA H 4.618 0.001 1 1130 115 115 ASP HB2 H 2.729 0.000 1 1131 115 115 ASP HB3 H 2.729 0.000 1 1132 115 115 ASP CA C 54.689 0.031 1 1133 115 115 ASP CB C 41.266 0.089 1 1134 115 115 ASP N N 119.301 0.066 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_4 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name EBNA2 _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 1 453 1 ASP HA H 4.552 0.006 1 2 453 1 ASP HB2 H 2.612 0.005 2 3 453 1 ASP HB3 H 2.717 0.001 2 4 453 1 ASP H H 8.081 0.004 1 5 453 1 ASP C C 177.981 0.000 1 6 453 1 ASP CA C 54.500 0.000 1 7 453 1 ASP CB C 41.000 0.000 1 8 453 1 ASP N N 118.476 0.052 1 9 454 2 LEU H H 7.853 0.004 1 10 454 2 LEU HA H 4.261 0.004 1 11 454 2 LEU HB2 H 1.573 0.005 2 12 454 2 LEU HB3 H 1.648 0.001 2 13 454 2 LEU HG H 1.575 0.003 1 14 454 2 LEU HD1 H 0.849 0.002 2 15 454 2 LEU HD2 H 0.787 0.001 2 16 454 2 LEU C C 176.422 0.000 1 17 454 2 LEU CA C 55.300 0.000 1 18 454 2 LEU CB C 41.950 0.000 1 19 454 2 LEU CG C 27.017 0.000 1 20 454 2 LEU CD1 C 25.376 0.020 2 21 454 2 LEU CD2 C 23.636 0.000 2 22 454 2 LEU N N 121.684 0.047 1 23 455 3 ASP H H 8.210 0.003 1 24 455 3 ASP HA H 4.518 0.004 1 25 455 3 ASP HB2 H 2.640 0.004 1 26 455 3 ASP HB3 H 2.640 0.004 1 27 455 3 ASP C C 177.329 0.000 1 28 455 3 ASP CA C 55.217 0.000 1 29 455 3 ASP CB C 41.183 0.000 1 30 455 3 ASP N N 121.129 0.045 1 31 456 4 GLU H H 8.410 0.006 1 32 456 4 GLU HA H 4.196 0.002 1 33 456 4 GLU HB2 H 1.884 0.006 2 34 456 4 GLU HB3 H 1.995 0.006 2 35 456 4 GLU HG2 H 2.180 0.003 1 36 456 4 GLU HG3 H 2.180 0.003 1 37 456 4 GLU C C 176.880 0.000 1 38 456 4 GLU CA C 57.200 0.000 1 39 456 4 GLU CB C 30.106 0.000 1 40 456 4 GLU CG C 36.167 0.000 1 41 456 4 GLU N N 121.013 0.046 1 42 457 5 SER H H 8.176 0.007 1 43 457 5 SER HA H 4.252 0.004 1 44 457 5 SER HB2 H 3.749 0.002 1 45 457 5 SER HB3 H 3.749 0.002 1 46 457 5 SER C C 177.046 0.000 1 47 457 5 SER CA C 59.437 0.000 1 48 457 5 SER CB C 63.400 0.000 1 49 457 5 SER N N 116.183 0.058 1 50 458 6 TRP H H 7.969 0.012 1 51 458 6 TRP HA H 4.593 0.009 1 52 458 6 TRP HB2 H 3.371 0.005 2 53 458 6 TRP HB3 H 3.105 0.006 2 54 458 6 TRP HD1 H 7.186 0.003 1 55 458 6 TRP HE3 H 7.394 0.004 1 56 458 6 TRP HZ2 H 7.370 0.002 1 57 458 6 TRP HZ3 H 6.947 0.010 1 58 458 6 TRP HH2 H 7.074 0.004 1 59 458 6 TRP C C 174.996 0.000 1 60 458 6 TRP CA C 57.362 0.000 1 61 458 6 TRP CB C 30.117 0.000 1 62 458 6 TRP CD1 C 127.437 0.000 1 63 458 6 TRP CE3 C 120.617 0.000 1 64 458 6 TRP CZ2 C 114.512 0.000 1 65 458 6 TRP CZ3 C 121.569 0.000 1 66 458 6 TRP CH2 C 124.227 0.000 1 67 458 6 TRP N N 121.163 0.093 1 68 459 7 ASP H H 8.031 0.005 1 69 459 7 ASP HA H 4.441 0.006 1 70 459 7 ASP HB2 H 2.591 0.008 2 71 459 7 ASP HB3 H 2.590 0.007 2 72 459 7 ASP C C 176.140 0.000 1 73 459 7 ASP CA C 56.667 0.000 1 74 459 7 ASP CB C 40.167 0.000 1 75 459 7 ASP N N 120.311 0.061 1 76 460 8 TYR H H 7.918 0.003 1 77 460 8 TYR HA H 4.425 0.003 1 78 460 8 TYR HB2 H 2.951 0.003 1 79 460 8 TYR HB3 H 2.951 0.003 1 80 460 8 TYR HD1 H 7.049 0.005 3 81 460 8 TYR HD2 H 7.049 0.005 3 82 460 8 TYR HE1 H 6.769 0.004 3 83 460 8 TYR HE2 H 6.769 0.004 3 84 460 8 TYR C C 177.411 0.000 1 85 460 8 TYR CA C 58.816 0.001 1 86 460 8 TYR CB C 37.450 0.000 1 87 460 8 TYR CD1 C 133.283 0.000 3 88 460 8 TYR CD2 C 133.283 0.000 3 89 460 8 TYR CE1 C 118.248 0.000 3 90 460 8 TYR CE2 C 118.248 0.000 3 91 460 8 TYR N N 117.085 0.032 1 92 461 9 ILE H H 7.252 0.007 1 93 461 9 ILE HA H 3.900 0.005 1 94 461 9 ILE HB H 1.408 0.003 1 95 461 9 ILE HG12 H 1.036 0.003 2 96 461 9 ILE HG13 H 1.090 0.001 2 97 461 9 ILE HG2 H 0.465 0.001 1 98 461 9 ILE HD1 H 0.690 0.005 1 99 461 9 ILE C C 176.122 0.000 1 100 461 9 ILE CA C 61.500 0.000 1 101 461 9 ILE CB C 38.567 0.000 1 102 461 9 ILE CG1 C 28.252 0.000 1 103 461 9 ILE CG2 C 16.969 0.000 1 104 461 9 ILE CD1 C 13.473 0.000 1 105 461 9 ILE N N 120.334 0.097 1 106 462 10 PHE H H 7.536 0.002 1 107 462 10 PHE HA H 4.387 0.001 1 108 462 10 PHE HB2 H 3.037 0.006 2 109 462 10 PHE HB3 H 2.777 0.003 2 110 462 10 PHE HD1 H 7.107 0.004 3 111 462 10 PHE HD2 H 7.107 0.004 3 112 462 10 PHE HE1 H 7.097 0.003 3 113 462 10 PHE HE2 H 7.097 0.003 3 114 462 10 PHE HZ H 6.996 0.004 1 115 462 10 PHE C C 175.637 0.000 1 116 462 10 PHE CA C 58.859 0.000 1 117 462 10 PHE CB C 40.233 0.000 1 118 462 10 PHE CD1 C 132.109 0.000 3 119 462 10 PHE CD2 C 132.109 0.000 3 120 462 10 PHE CE1 C 131.418 0.000 3 121 462 10 PHE CE2 C 131.418 0.000 3 122 462 10 PHE CZ C 129.186 0.000 1 123 462 10 PHE N N 119.202 0.002 1 124 463 11 GLU H H 8.163 0.003 1 125 463 11 GLU HA H 4.486 0.003 1 126 463 11 GLU HB2 H 2.005 0.003 2 127 463 11 GLU HB3 H 2.104 0.001 2 128 463 11 GLU HG2 H 2.281 0.002 1 129 463 11 GLU HG3 H 2.282 0.002 1 130 463 11 GLU C C 175.719 0.000 1 131 463 11 GLU CA C 56.117 0.000 1 132 463 11 GLU CB C 30.583 0.000 1 133 463 11 GLU CG C 36.000 0.000 1 134 463 11 GLU N N 120.288 0.095 1 135 464 12 THR H H 8.365 0.005 1 136 464 12 THR HA H 4.485 0.003 1 137 464 12 THR HB H 4.249 0.004 1 138 464 12 THR HG2 H 1.249 0.009 1 139 464 12 THR C C 176.499 0.000 1 140 464 12 THR CA C 62.228 0.011 1 141 464 12 THR CB C 69.850 0.000 1 142 464 12 THR CG2 C 21.733 0.000 1 143 464 12 THR N N 116.476 0.045 1 144 465 13 THR H H 8.283 0.002 1 145 465 13 THR HA H 4.390 0.001 1 146 465 13 THR HB H 4.219 0.001 1 147 465 13 THR HG2 H 1.208 0.004 1 148 465 13 THR C C 174.647 0.000 1 149 465 13 THR CA C 61.991 0.000 1 150 465 13 THR CB C 69.917 0.000 1 151 465 13 THR CG2 C 21.800 0.000 1 152 465 13 THR N N 117.496 0.099 1 stop_ save_