data_15252 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of T4 Bacteriophage Helicase Uvsw.1 ; _BMRB_accession_number 15252 _BMRB_flat_file_name bmr15252.str _Entry_type original _Submission_date 2007-05-17 _Accession_date 2007-05-17 _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 Sivakolundu Sivashankar G. . 2 Lee Tracy . . 3 White Stephen W. . 4 Kriwacki Richard W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 376 "13C chemical shifts" 231 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-02 update BMRB 'complete entry citation' 2007-10-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Crystallographic and NMR analyses of UvsW and UvsW.1 from bacteriophage T4' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17878153 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kerr Iain D. . 2 Sivakolundu Sivashankar . . 3 Li Zhenmei . . 4 Buchsbaum Jeffrey C. . 5 Knox Luke A. . 6 Kriwacki Richard . . 7 White Stephen W. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 34392 _Page_last 34400 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UvsW.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit 1' $UvsW.1 stop_ _System_molecular_weight 9000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UvsW.1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UvsW.1 _Molecular_mass 9096.122 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GSHMLLEFKQFLYEASIDEF MGKIASCQTLEGLEELEAYY KKRVKETELKDTDDISVRDA LAGKRAELEDSDDEVEESF ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 LEU 6 LEU 7 GLU 8 PHE 9 LYS 10 GLN 11 PHE 12 LEU 13 TYR 14 GLU 15 ALA 16 SER 17 ILE 18 ASP 19 GLU 20 PHE 21 MET 22 GLY 23 LYS 24 ILE 25 ALA 26 SER 27 CYS 28 GLN 29 THR 30 LEU 31 GLU 32 GLY 33 LEU 34 GLU 35 GLU 36 LEU 37 GLU 38 ALA 39 TYR 40 TYR 41 LYS 42 LYS 43 ARG 44 VAL 45 LYS 46 GLU 47 THR 48 GLU 49 LEU 50 LYS 51 ASP 52 THR 53 ASP 54 ASP 55 ILE 56 SER 57 VAL 58 ARG 59 ASP 60 ALA 61 LEU 62 ALA 63 GLY 64 LYS 65 ARG 66 ALA 67 GLU 68 LEU 69 GLU 70 ASP 71 SER 72 ASP 73 ASP 74 GLU 75 VAL 76 GLU 77 GLU 78 SER 79 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JPN "Solution Structure Of T4 Bacteriophage Helicase Uvsw.1" 100.00 79 100.00 100.00 1.09e-46 DBJ BAI83196 "ATP-dependent DNA helicase uvsW [Enterobacteria phage AR1]" 97.47 77 97.40 98.70 1.48e-41 EMBL CCI89077 "DNA helicase, phage-associated [Yersinia phage phiD1]" 96.20 76 100.00 100.00 1.08e-43 EMBL CUL01145 "UvsW RNA-DNA and DNA-DNA helicase, ATPase [Enterobacteria phage T4] [Escherichia phage slur02]" 96.20 76 100.00 100.00 1.08e-43 EMBL CUL01694 "UvsW RNA-DNA and DNA-DNA helicase, ATPase [Enterobacteria phage T4] [Escherichia phage slur03]" 96.20 76 98.68 98.68 9.32e-43 EMBL CUL02025 "ATP-dependent DNA helicase UvsW [Escherichia phage slur04]" 96.20 76 100.00 100.00 1.08e-43 EMBL CUL02331 "ATP-dependent DNA helicase UvsW [Escherichia phage slur07]" 96.20 76 100.00 100.00 1.08e-43 GB AAD42668 "UvsW RNA-DNA and DNA-DNA helicase, ATPase [Enterobacteria phage T4]" 96.20 587 100.00 100.00 1.11e-40 GB ABI95005 "hypothetical protein RB32ORF181w [Enterobacteria phage RB32]" 96.20 76 100.00 100.00 1.08e-43 GB ACP30825 "uvsW.1 conserved hypothetical protein [Enterobacteria phage RB14]" 96.20 76 100.00 100.00 1.08e-43 GB ACP31101 "uvsW.1 conserved hypothetical protein [Enterobacteria phage RB51]" 96.20 76 98.68 100.00 1.95e-43 GB ADJ39905 "hypothetical protein T4Tp188 [Enterobacteria phage T4T]" 96.20 76 100.00 100.00 1.08e-43 REF NP_049796 "UvsW RNA-DNA and DNA-DNA helicase, ATPase [Enterobacteria phage T4]" 96.20 587 100.00 100.00 1.11e-40 REF YP_002854138 "uvsW.1 conserved hypothetical protein [Enterobacteria phage RB51]" 96.20 76 98.68 100.00 1.95e-43 REF YP_002854517 "uvsW.1 conserved hypothetical protein [Enterobacteria phage RB14]" 96.20 76 100.00 100.00 1.08e-43 REF YP_004415076 "putative RNA-DNA and DNA-DNA helicase ATPase [Shigella phage Shfl2]" 96.20 76 100.00 100.00 1.08e-43 REF YP_006986738 "RNA-DNA and DNA-DNA helicase [Enterobacteria phage vB_EcoM_ACG-C40]" 96.20 76 100.00 100.00 1.08e-43 SP P20703 "RecName: Full=ATP-dependent DNA helicase uvsW; AltName: Full=Dar protein" 96.20 587 100.00 100.00 1.11e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $UvsW.1 'Bacteriophage T4' 10665 Viruses . 'T4-like viruses' T4 Uvsw.1 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 $UvsW.1 'recombinant technology' . Escherichia coli BL21(DE3) pET15b 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 $UvsW.1 1.66 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM . NaCl 10 mM . DTT 1 mM . 'sodium azide' 0.02 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version 2000 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task refinement stop_ _Details 'GBSA solvation was used to perform molecular dynamics refinement' save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'restraint generation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC,_Steady_state_{1H}-15N_NOE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC, Steady state {1H}-15N NOE' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '10mM sodium phosphate, 10mM NaCl, 1mM DTT, 0.02% sodium azide' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6.5 . pH pressure 1 . atm temperature 298 0.1 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $NMRPipe $Felix $ARIA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' 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 'subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 MET H H 8.433 0.0 . 2 4 4 MET HA H 4.402 0.0 . 3 4 4 MET HB2 H 2.017 0.0 . 4 4 4 MET HB3 H 1.959 0.0 . 5 4 4 MET HG2 H 2.495 0.0 . 6 4 4 MET HG3 H 2.433 0.0 . 7 4 4 MET CA C 55.870 0.0 . 8 4 4 MET CB C 33.011 0.0 . 9 4 4 MET CE C 20.467 0.0 . 10 4 4 MET CG C 32.149 0.0 . 11 4 4 MET N N 122.761 0.0 . 12 5 5 LEU H H 8.329 0.0 . 13 5 5 LEU HA H 4.330 0.0 . 14 5 5 LEU HD1 H 0.859 0.0 . 15 5 5 LEU HG H 1.597 0.0 . 16 5 5 LEU CA C 55.582 0.0 . 17 5 5 LEU CB C 42.216 0.0 . 18 5 5 LEU CD1 C 24.505 0.0 . 19 5 5 LEU CG C 27.140 0.0 . 20 5 5 LEU N N 124.317 0.0 . 21 6 6 LEU H H 8.212 0.0 . 22 6 6 LEU CA C 55.600 0.0 . 23 6 6 LEU CB C 42.174 0.0 . 24 6 6 LEU N N 123.738 0.0 . 25 7 7 GLU H H 7.960 0.0 . 26 7 7 GLU CA C 57.000 0.0 . 27 7 7 GLU CB C 30.010 0.0 . 28 7 7 GLU N N 124.650 0.0 . 29 8 8 PHE H H 8.060 0.0 . 30 8 8 PHE CA C 61.880 0.0 . 31 8 8 PHE CB C 42.870 0.0 . 32 8 8 PHE N N 123.320 0.0 . 33 9 9 LYS H H 8.300 0.0 . 34 9 9 LYS HA H 4.468 0.0 . 35 9 9 LYS CA C 58.200 0.0 . 36 9 9 LYS CB C 32.740 0.0 . 37 9 9 LYS N N 123.740 0.0 . 38 10 10 GLN H H 8.285 0.0 . 39 10 10 GLN HA H 4.140 0.0 . 40 10 10 GLN HB2 H 1.956 0.0 . 41 10 10 GLN HE21 H 7.596 0.0 . 42 10 10 GLN HE22 H 6.845 0.0 . 43 10 10 GLN HG2 H 2.259 0.0 . 44 10 10 GLN CA C 56.791 0.0 . 45 10 10 GLN CB C 29.200 0.0 . 46 10 10 GLN CG C 33.628 0.0 . 47 10 10 GLN N N 121.717 0.0 . 48 10 10 GLN NE2 N 113.611 0.0 . 49 11 11 PHE H H 8.105 0.0 . 50 11 11 PHE HA H 4.552 0.0 . 51 11 11 PHE HB2 H 3.080 0.0 . 52 11 11 PHE HB3 H 2.991 0.0 . 53 11 11 PHE HD1 H 7.181 0.0 . 54 11 11 PHE HE1 H 7.251 0.0 . 55 11 11 PHE CA C 58.450 0.0 . 56 11 11 PHE CB C 39.375 0.0 . 57 11 11 PHE N N 120.947 0.0 . 58 12 12 LEU H H 7.950 0.0 . 59 12 12 LEU HA H 4.177 0.0 . 60 12 12 LEU HB2 H 1.447 0.0 . 61 12 12 LEU HB3 H 1.341 0.0 . 62 12 12 LEU HD1 H 0.766 0.0 . 63 12 12 LEU HD2 H 0.734 0.0 . 64 12 12 LEU HG H 1.335 0.0 . 65 12 12 LEU CA C 55.810 0.0 . 66 12 12 LEU CB C 42.350 0.0 . 67 12 12 LEU CD1 C 25.310 0.0 . 68 12 12 LEU CD2 C 23.750 0.0 . 69 12 12 LEU CG C 26.800 0.0 . 70 12 12 LEU N N 122.940 0.0 . 71 13 13 TYR H H 7.997 0.0 . 72 13 13 TYR HA H 4.422 0.0 . 73 13 13 TYR HB2 H 2.996 0.0 . 74 13 13 TYR HB3 H 3.058 0.0 . 75 13 13 TYR HD1 H 7.067 0.0 . 76 13 13 TYR HE1 H 6.822 0.0 . 77 13 13 TYR CA C 59.170 0.0 . 78 13 13 TYR CB C 39.000 0.0 . 79 13 13 TYR N N 121.310 0.0 . 80 14 14 GLU H H 8.456 0.0 . 81 14 14 GLU HA H 4.153 0.0 . 82 14 14 GLU HB2 H 2.005 0.0 . 83 14 14 GLU HG2 H 2.312 0.0 . 84 14 14 GLU CA C 57.410 0.0 . 85 14 14 GLU CB C 29.800 0.0 . 86 14 14 GLU CG C 36.616 0.0 . 87 14 14 GLU N N 121.510 0.0 . 88 15 15 ALA H H 7.954 0.0 . 89 15 15 ALA HA H 4.317 0.0 . 90 15 15 ALA HB H 1.385 0.0 . 91 15 15 ALA CA C 53.250 0.0 . 92 15 15 ALA CB C 19.300 0.0 . 93 15 15 ALA N N 124.310 0.0 . 94 16 16 SER H H 8.393 0.0 . 95 16 16 SER HA H 4.550 0.0 . 96 16 16 SER HB2 H 3.995 0.0 . 97 16 16 SER HB3 H 4.166 0.0 . 98 16 16 SER HG H 4.790 0.0 . 99 16 16 SER CA C 58.670 0.0 . 100 16 16 SER CB C 64.323 0.0 . 101 16 16 SER N N 116.970 0.0 . 102 17 17 ILE H H 8.502 0.0 . 103 17 17 ILE HA H 4.137 0.0 . 104 17 17 ILE HB H 2.065 0.0 . 105 17 17 ILE HD1 H 0.854 0.0 . 106 17 17 ILE HG12 H 1.420 0.0 . 107 17 17 ILE HG13 H 0.963 0.0 . 108 17 17 ILE CA C 62.743 0.0 . 109 17 17 ILE CB C 37.030 0.0 . 110 17 17 ILE CD1 C 12.312 0.0 . 111 17 17 ILE CG1 C 27.645 0.0 . 112 17 17 ILE CG2 C 17.757 0.0 . 113 17 17 ILE N N 123.956 0.0 . 114 18 18 ASP H H 8.222 0.0 . 115 18 18 ASP CA C 54.650 0.0 . 116 18 18 ASP CB C 42.260 0.0 . 117 18 18 ASP N N 122.118 0.0 . 118 19 19 GLU H H 8.273 0.0 . 119 19 19 GLU HA H 4.310 0.0 . 120 19 19 GLU HB2 H 2.039 0.0 . 121 19 19 GLU HB3 H 1.949 0.0 . 122 19 19 GLU CA C 56.720 0.0 . 123 19 19 GLU CB C 29.810 0.0 . 124 19 19 GLU N N 122.027 0.0 . 125 20 20 PHE H H 8.428 0.0 . 126 20 20 PHE HA H 4.176 0.0 . 127 20 20 PHE HB2 H 3.346 0.0 . 128 20 20 PHE HB3 H 3.230 0.0 . 129 20 20 PHE HD1 H 7.161 0.0 . 130 20 20 PHE HE1 H 7.240 0.0 . 131 20 20 PHE CA C 61.820 0.0 . 132 20 20 PHE CB C 39.720 0.0 . 133 20 20 PHE N N 123.950 0.0 . 134 21 21 MET H H 8.878 0.0 . 135 21 21 MET HA H 4.083 0.0 . 136 21 21 MET HB2 H 2.331 0.0 . 137 21 21 MET HB3 H 2.008 0.0 . 138 21 21 MET HE H 0.662 0.0 . 139 21 21 MET HG2 H 2.710 0.0 . 140 21 21 MET CA C 58.180 0.0 . 141 21 21 MET CB C 31.200 0.0 . 142 21 21 MET CE C 15.600 0.0 . 143 21 21 MET CG C 33.300 0.0 . 144 21 21 MET N N 118.097 0.0 . 145 22 22 GLY H H 8.058 0.0 . 146 22 22 GLY HA2 H 3.927 0.0 . 147 22 22 GLY CA C 46.986 0.0 . 148 22 22 GLY N N 109.138 0.0 . 149 23 23 LYS H H 7.758 0.0 . 150 23 23 LYS HA H 4.022 0.0 . 151 23 23 LYS HB2 H 1.935 0.0 . 152 23 23 LYS HB3 H 1.708 0.0 . 153 23 23 LYS HD2 H 1.526 0.0 . 154 23 23 LYS HD3 H 1.580 0.0 . 155 23 23 LYS HE2 H 2.830 0.0 . 156 23 23 LYS HG2 H 1.469 0.0 . 157 23 23 LYS HG3 H 1.521 0.0 . 158 23 23 LYS CA C 58.651 0.0 . 159 23 23 LYS CB C 31.891 0.0 . 160 23 23 LYS CD C 29.100 0.0 . 161 23 23 LYS CE C 42.267 0.0 . 162 23 23 LYS CG C 25.600 0.0 . 163 23 23 LYS N N 124.233 0.0 . 164 24 24 ILE H H 7.822 0.0 . 165 24 24 ILE HA H 3.267 0.0 . 166 24 24 ILE HB H 1.792 0.0 . 167 24 24 ILE HD1 H 0.661 0.0 . 168 24 24 ILE HG12 H 1.467 0.0 . 169 24 24 ILE HG13 H 0.450 0.0 . 170 24 24 ILE HG2 H 0.663 0.0 . 171 24 24 ILE CA C 65.840 0.0 . 172 24 24 ILE CB C 38.400 0.0 . 173 24 24 ILE CD1 C 15.545 0.0 . 174 24 24 ILE CG1 C 28.673 0.0 . 175 24 24 ILE CG2 C 17.777 0.0 . 176 24 24 ILE N N 121.147 0.0 . 177 25 25 ALA H H 7.701 0.0 . 178 25 25 ALA HA H 4.055 0.0 . 179 25 25 ALA HB H 1.478 0.0 . 180 25 25 ALA CA C 55.150 0.0 . 181 25 25 ALA CB C 18.400 0.0 . 182 25 25 ALA N N 119.928 0.0 . 183 26 26 SER H H 7.495 0.0 . 184 26 26 SER HA H 4.420 0.0 . 185 26 26 SER HB2 H 3.989 0.0 . 186 26 26 SER HB3 H 3.902 0.0 . 187 26 26 SER HG H 4.794 0.0 . 188 26 26 SER CA C 58.480 0.0 . 189 26 26 SER CB C 64.194 0.0 . 190 26 26 SER N N 110.500 0.0 . 191 27 27 CYS H H 7.457 0.0 . 192 27 27 CYS HA H 4.167 0.0 . 193 27 27 CYS HB2 H 2.962 0.0 . 194 27 27 CYS HB3 H 2.855 0.0 . 195 27 27 CYS CA C 61.261 0.0 . 196 27 27 CYS CB C 26.859 0.0 . 197 27 27 CYS N N 125.600 0.0 . 198 28 28 GLN H H 8.988 0.0 . 199 28 28 GLN HA H 4.626 0.0 . 200 28 28 GLN HB2 H 1.977 0.0 . 201 28 28 GLN HE21 H 7.432 0.0 . 202 28 28 GLN HE22 H 6.846 0.0 . 203 28 28 GLN HG2 H 2.527 0.0 . 204 28 28 GLN HG3 H 2.437 0.0 . 205 28 28 GLN CA C 56.080 0.0 . 206 28 28 GLN CB C 31.916 0.0 . 207 28 28 GLN CG C 34.150 0.0 . 208 28 28 GLN N N 126.017 0.0 . 209 28 28 GLN NE2 N 113.604 0.0 . 210 29 29 THR H H 7.660 0.0 . 211 29 29 THR HA H 4.954 0.0 . 212 29 29 THR HB H 4.639 0.0 . 213 29 29 THR HG1 H 4.787 0.0 . 214 29 29 THR HG2 H 1.243 0.0 . 215 29 29 THR CA C 58.900 0.0 . 216 29 29 THR CB C 72.830 0.0 . 217 29 29 THR CG2 C 21.796 0.0 . 218 29 29 THR N N 108.880 0.0 . 219 30 30 LEU H H 9.305 0.0 . 220 30 30 LEU HA H 4.025 0.0 . 221 30 30 LEU HB2 H 1.698 0.0 . 222 30 30 LEU HD1 H 0.940 0.0 . 223 30 30 LEU HD2 H 0.970 0.0 . 224 30 30 LEU HG H 1.710 0.0 . 225 30 30 LEU CA C 57.921 0.0 . 226 30 30 LEU CB C 41.450 0.0 . 227 30 30 LEU CD1 C 24.998 0.0 . 228 30 30 LEU CD2 C 24.749 0.0 . 229 30 30 LEU CG C 27.545 0.0 . 230 30 30 LEU N N 126.370 0.0 . 231 31 31 GLU H H 8.916 0.0 . 232 31 31 GLU HA H 4.079 0.0 . 233 31 31 GLU HB2 H 2.065 0.0 . 234 31 31 GLU HB3 H 1.953 0.0 . 235 31 31 GLU HG2 H 2.341 0.0 . 236 31 31 GLU CA C 60.320 0.0 . 237 31 31 GLU CB C 29.158 0.0 . 238 31 31 GLU CG C 36.698 0.0 . 239 31 31 GLU N N 120.986 0.0 . 240 32 32 GLY H H 8.175 0.0 . 241 32 32 GLY HA2 H 3.906 0.0 . 242 32 32 GLY HA3 H 3.710 0.0 . 243 32 32 GLY CA C 47.000 0.0 . 244 32 32 GLY N N 110.172 0.0 . 245 33 33 LEU H H 8.059 0.0 . 246 33 33 LEU HA H 4.170 0.0 . 247 33 33 LEU HB2 H 2.071 0.0 . 248 33 33 LEU HB3 H 1.590 0.0 . 249 33 33 LEU HD1 H 1.000 0.0 . 250 33 33 LEU HG H 1.727 0.0 . 251 33 33 LEU CA C 57.730 0.0 . 252 33 33 LEU CB C 41.400 0.0 . 253 33 33 LEU CD1 C 24.057 0.0 . 254 33 33 LEU CD2 C 23.832 0.0 . 255 33 33 LEU CG C 25.963 0.0 . 256 33 33 LEU N N 127.916 0.0 . 257 34 34 GLU H H 8.637 0.0 . 258 34 34 GLU HA H 4.210 0.0 . 259 34 34 GLU HB2 H 2.098 0.0 . 260 34 34 GLU HB3 H 2.212 0.0 . 261 34 34 GLU HG2 H 2.534 0.0 . 262 34 34 GLU HG3 H 2.308 0.0 . 263 34 34 GLU CA C 59.600 0.0 . 264 34 34 GLU CB C 29.090 0.0 . 265 34 34 GLU CG C 36.462 0.0 . 266 34 34 GLU N N 120.947 0.0 . 267 35 35 GLU H H 7.545 0.0 . 268 35 35 GLU HA H 4.220 0.0 . 269 35 35 GLU HB2 H 1.956 0.0 . 270 35 35 GLU HG2 H 2.507 0.0 . 271 35 35 GLU HG3 H 2.243 0.0 . 272 35 35 GLU CA C 59.600 0.0 . 273 35 35 GLU CB C 29.170 0.0 . 274 35 35 GLU CG C 36.391 0.0 . 275 35 35 GLU N N 120.962 0.0 . 276 36 36 LEU H H 7.765 0.0 . 277 36 36 LEU HA H 4.348 0.0 . 278 36 36 LEU HB2 H 2.229 0.0 . 279 36 36 LEU HB3 H 1.438 0.0 . 280 36 36 LEU HD2 H 0.724 0.0 . 281 36 36 LEU HG H 1.972 0.0 . 282 36 36 LEU CA C 58.440 0.0 . 283 36 36 LEU CB C 41.333 0.0 . 284 36 36 LEU CD1 C 23.271 0.0 . 285 36 36 LEU CD2 C 20.419 0.0 . 286 36 36 LEU CG C 26.657 0.0 . 287 36 36 LEU N N 122.330 0.0 . 288 37 37 GLU H H 9.128 0.0 . 289 37 37 GLU HA H 4.086 0.0 . 290 37 37 GLU HB2 H 2.337 0.0 . 291 37 37 GLU HB3 H 2.134 0.0 . 292 37 37 GLU HG2 H 2.478 0.0 . 293 37 37 GLU HG3 H 2.267 0.0 . 294 37 37 GLU CA C 60.351 0.0 . 295 37 37 GLU CB C 30.300 0.0 . 296 37 37 GLU CG C 37.500 0.0 . 297 37 37 GLU N N 121.550 0.0 . 298 38 38 ALA H H 8.247 0.0 . 299 38 38 ALA HA H 4.170 0.0 . 300 38 38 ALA HB H 1.600 0.0 . 301 38 38 ALA CA C 55.487 0.0 . 302 38 38 ALA CB C 18.220 0.0 . 303 38 38 ALA N N 122.434 0.0 . 304 39 39 TYR H H 8.192 0.0 . 305 39 39 TYR HA H 4.180 0.0 . 306 39 39 TYR HB2 H 3.323 0.0 . 307 39 39 TYR HD1 H 6.991 0.0 . 308 39 39 TYR HE1 H 7.239 0.0 . 309 39 39 TYR CA C 61.800 0.0 . 310 39 39 TYR CB C 38.330 0.0 . 311 39 39 TYR N N 121.325 0.0 . 312 40 40 TYR H H 8.668 0.0 . 313 40 40 TYR HA H 3.798 0.0 . 314 40 40 TYR HB2 H 3.195 0.0 . 315 40 40 TYR HB3 H 3.261 0.0 . 316 40 40 TYR HD1 H 6.758 0.0 . 317 40 40 TYR HE1 H 6.656 0.0 . 318 40 40 TYR CA C 61.720 0.0 . 319 40 40 TYR CB C 38.650 0.0 . 320 40 40 TYR N N 122.108 0.0 . 321 41 41 LYS H H 8.183 0.0 . 322 41 41 LYS HA H 3.610 0.0 . 323 41 41 LYS HB2 H 1.896 0.0 . 324 41 41 LYS HB3 H 1.805 0.0 . 325 41 41 LYS HD2 H 1.704 0.0 . 326 41 41 LYS HE2 H 2.994 0.0 . 327 41 41 LYS HG2 H 1.483 0.0 . 328 41 41 LYS HG3 H 1.774 0.0 . 329 41 41 LYS CA C 59.444 0.0 . 330 41 41 LYS CB C 32.696 0.0 . 331 41 41 LYS CD C 29.580 0.0 . 332 41 41 LYS CE C 42.188 0.0 . 333 41 41 LYS CG C 26.165 0.0 . 334 41 41 LYS N N 117.815 0.0 . 335 42 42 LYS H H 7.485 0.0 . 336 42 42 LYS HA H 4.027 0.0 . 337 42 42 LYS HB2 H 1.815 0.0 . 338 42 42 LYS HD2 H 1.604 0.0 . 339 42 42 LYS HE2 H 2.917 0.0 . 340 42 42 LYS HG2 H 1.469 0.0 . 341 42 42 LYS HG3 H 1.316 0.0 . 342 42 42 LYS CA C 58.749 0.0 . 343 42 42 LYS CB C 32.700 0.0 . 344 42 42 LYS CD C 29.551 0.0 . 345 42 42 LYS CE C 42.100 0.0 . 346 42 42 LYS CG C 25.100 0.0 . 347 42 42 LYS N N 119.190 0.0 . 348 43 43 ARG H H 7.941 0.0 . 349 43 43 ARG HA H 3.902 0.0 . 350 43 43 ARG HB2 H 1.540 0.0 . 351 43 43 ARG HB3 H 1.360 0.0 . 352 43 43 ARG HG2 H 1.260 0.0 . 353 43 43 ARG CA C 57.733 0.0 . 354 43 43 ARG CB C 29.790 0.0 . 355 43 43 ARG CD C 42.447 0.0 . 356 43 43 ARG CG C 26.579 0.0 . 357 43 43 ARG N N 120.668 0.0 . 358 44 44 VAL H H 7.960 0.0 . 359 44 44 VAL HA H 3.825 0.0 . 360 44 44 VAL HB H 1.857 0.0 . 361 44 44 VAL HG1 H 0.709 0.0 . 362 44 44 VAL HG2 H 0.668 0.0 . 363 44 44 VAL CA C 64.400 0.0 . 364 44 44 VAL CB C 31.700 0.0 . 365 44 44 VAL CG1 C 21.230 0.0 . 366 44 44 VAL CG2 C 21.370 0.0 . 367 44 44 VAL N N 118.660 0.0 . 368 45 45 LYS H H 7.388 0.0 . 369 45 45 LYS HA H 4.170 0.0 . 370 45 45 LYS HB2 H 1.875 0.0 . 371 45 45 LYS HB3 H 1.806 0.0 . 372 45 45 LYS HD2 H 1.687 0.0 . 373 45 45 LYS HE2 H 2.990 0.0 . 374 45 45 LYS HG2 H 1.411 0.0 . 375 45 45 LYS HG3 H 1.490 0.0 . 376 45 45 LYS CA C 57.450 0.0 . 377 45 45 LYS CB C 33.000 0.0 . 378 45 45 LYS CD C 28.910 0.0 . 379 45 45 LYS CE C 42.335 0.0 . 380 45 45 LYS CG C 24.906 0.0 . 381 45 45 LYS N N 120.950 0.0 . 382 46 46 GLU H H 7.864 0.0 . 383 46 46 GLU HA H 4.310 0.0 . 384 46 46 GLU HB2 H 2.137 0.0 . 385 46 46 GLU HB3 H 1.991 0.0 . 386 46 46 GLU HG2 H 2.350 0.0 . 387 46 46 GLU HG3 H 2.240 0.0 . 388 46 46 GLU CA C 57.200 0.0 . 389 46 46 GLU CB C 30.700 0.0 . 390 46 46 GLU CG C 36.094 0.0 . 391 46 46 GLU N N 118.865 0.0 . 392 47 47 THR H H 7.781 0.0 . 393 47 47 THR HA H 4.450 0.0 . 394 47 47 THR HB H 4.130 0.0 . 395 47 47 THR HG1 H 4.786 0.0 . 396 47 47 THR HG2 H 1.140 0.0 . 397 47 47 THR CA C 61.540 0.0 . 398 47 47 THR CB C 70.692 0.0 . 399 47 47 THR CG2 C 21.540 0.0 . 400 47 47 THR N N 113.984 0.0 . 401 48 48 GLU H H 8.244 0.0 . 402 48 48 GLU HA H 4.340 0.0 . 403 48 48 GLU HB2 H 2.050 0.0 . 404 48 48 GLU HB3 H 1.943 0.0 . 405 48 48 GLU HG2 H 2.180 0.0 . 406 48 48 GLU HG3 H 2.250 0.0 . 407 48 48 GLU CA C 56.522 0.0 . 408 48 48 GLU CB C 30.010 0.0 . 409 48 48 GLU CG C 36.111 0.0 . 410 48 48 GLU N N 122.670 0.0 . 411 49 49 LEU H H 8.246 0.0 . 412 49 49 LEU HA H 4.524 0.0 . 413 49 49 LEU HB2 H 1.631 0.0 . 414 49 49 LEU HD1 H 0.880 0.0 . 415 49 49 LEU HD2 H 0.925 0.0 . 416 49 49 LEU HG H 1.700 0.0 . 417 49 49 LEU CA C 54.740 0.0 . 418 49 49 LEU CB C 43.084 0.0 . 419 49 49 LEU CD1 C 24.339 0.0 . 420 49 49 LEU CD2 C 25.178 0.0 . 421 49 49 LEU CG C 27.589 0.0 . 422 49 49 LEU N N 125.190 0.0 . 423 50 50 LYS H H 8.775 0.0 . 424 50 50 LYS HA H 4.340 0.0 . 425 50 50 LYS HB2 H 1.930 0.0 . 426 50 50 LYS HB3 H 1.845 0.0 . 427 50 50 LYS HD2 H 1.719 0.0 . 428 50 50 LYS HE2 H 3.007 0.0 . 429 50 50 LYS HG2 H 1.539 0.0 . 430 50 50 LYS CA C 56.630 0.0 . 431 50 50 LYS CB C 33.123 0.0 . 432 50 50 LYS CD C 29.300 0.0 . 433 50 50 LYS CE C 42.131 0.0 . 434 50 50 LYS CG C 25.100 0.0 . 435 50 50 LYS N N 124.371 0.0 . 436 51 51 ASP H H 8.803 0.0 . 437 51 51 ASP HA H 4.465 0.0 . 438 51 51 ASP HB2 H 2.840 0.0 . 439 51 51 ASP HB3 H 2.763 0.0 . 440 51 51 ASP CA C 57.010 0.0 . 441 51 51 ASP CB C 40.300 0.0 . 442 51 51 ASP N N 125.395 0.0 . 443 52 52 THR H H 8.275 0.0 . 444 52 52 THR HA H 4.074 0.0 . 445 52 52 THR HB H 4.247 0.0 . 446 52 52 THR HG2 H 1.290 0.0 . 447 52 52 THR CA C 64.330 0.0 . 448 52 52 THR CB C 68.640 0.0 . 449 52 52 THR CG2 C 22.430 0.0 . 450 52 52 THR N N 112.288 0.0 . 451 53 53 ASP H H 7.540 0.0 . 452 53 53 ASP HA H 4.632 0.0 . 453 53 53 ASP HB2 H 2.867 0.0 . 454 53 53 ASP HB3 H 2.696 0.0 . 455 53 53 ASP CA C 56.870 0.0 . 456 53 53 ASP CB C 41.300 0.0 . 457 53 53 ASP N N 123.911 0.0 . 458 54 54 ASP H H 8.190 0.0 . 459 54 54 ASP HA H 4.560 0.0 . 460 54 54 ASP HB2 H 2.862 0.0 . 461 54 54 ASP HB3 H 2.710 0.0 . 462 54 54 ASP CA C 57.230 0.0 . 463 54 54 ASP CB C 42.400 0.0 . 464 54 54 ASP N N 121.972 0.0 . 465 55 55 ILE H H 8.057 0.0 . 466 55 55 ILE HA H 3.692 0.0 . 467 55 55 ILE HB H 1.871 0.0 . 468 55 55 ILE HD1 H 0.861 0.0 . 469 55 55 ILE HG12 H 1.210 0.0 . 470 55 55 ILE HG13 H 1.679 0.0 . 471 55 55 ILE HG2 H 0.930 0.0 . 472 55 55 ILE CA C 64.490 0.0 . 473 55 55 ILE CB C 38.220 0.0 . 474 55 55 ILE CD1 C 13.354 0.0 . 475 55 55 ILE CG1 C 28.900 0.0 . 476 55 55 ILE CG2 C 17.384 0.0 . 477 55 55 ILE N N 119.685 0.0 . 478 56 56 SER H H 7.831 0.0 . 479 56 56 SER HA H 4.270 0.0 . 480 56 56 SER HB2 H 3.948 0.0 . 481 56 56 SER HB3 H 4.095 0.0 . 482 56 56 SER CA C 62.200 0.0 . 483 56 56 SER CB C 63.120 0.0 . 484 56 56 SER N N 116.672 0.0 . 485 57 57 VAL H H 8.261 0.0 . 486 57 57 VAL HA H 3.571 0.0 . 487 57 57 VAL HB H 2.020 0.0 . 488 57 57 VAL HG1 H 1.041 0.0 . 489 57 57 VAL HG2 H 0.444 0.0 . 490 57 57 VAL CA C 66.860 0.0 . 491 57 57 VAL CB C 31.800 0.0 . 492 57 57 VAL CG1 C 23.100 0.0 . 493 57 57 VAL CG2 C 22.300 0.0 . 494 57 57 VAL N N 124.800 0.0 . 495 58 58 ARG H H 8.350 0.0 . 496 58 58 ARG HA H 3.700 0.0 . 497 58 58 ARG HB2 H 2.014 0.0 . 498 58 58 ARG HB3 H 1.901 0.0 . 499 58 58 ARG HD2 H 3.316 0.0 . 500 58 58 ARG HD3 H 3.248 0.0 . 501 58 58 ARG HG2 H 1.890 0.0 . 502 58 58 ARG HG3 H 1.520 0.0 . 503 58 58 ARG CA C 60.700 0.0 . 504 58 58 ARG CB C 29.950 0.0 . 505 58 58 ARG CD C 43.905 0.0 . 506 58 58 ARG CG C 28.710 0.0 . 507 58 58 ARG N N 121.288 0.0 . 508 59 59 ASP H H 8.789 0.0 . 509 59 59 ASP HA H 4.458 0.0 . 510 59 59 ASP HB2 H 2.610 0.0 . 511 59 59 ASP HB3 H 2.790 0.0 . 512 59 59 ASP CA C 57.380 0.0 . 513 59 59 ASP CB C 40.100 0.0 . 514 59 59 ASP N N 121.712 0.0 . 515 60 60 ALA H H 8.012 0.0 . 516 60 60 ALA HA H 4.250 0.0 . 517 60 60 ALA HB H 1.536 0.0 . 518 60 60 ALA CA C 55.190 0.0 . 519 60 60 ALA CB C 18.550 0.0 . 520 60 60 ALA N N 126.734 0.0 . 521 61 61 LEU H H 8.691 0.0 . 522 61 61 LEU HA H 3.884 0.0 . 523 61 61 LEU HB2 H 2.000 0.0 . 524 61 61 LEU HB3 H 1.495 0.0 . 525 61 61 LEU HD1 H 0.784 0.0 . 526 61 61 LEU HG H 1.811 0.0 . 527 61 61 LEU CA C 58.550 0.0 . 528 61 61 LEU CB C 42.119 0.0 . 529 61 61 LEU CD1 C 24.362 0.0 . 530 61 61 LEU CG C 27.100 0.0 . 531 61 61 LEU N N 121.826 0.0 . 532 62 62 ALA H H 8.060 0.0 . 533 62 62 ALA HA H 4.124 0.0 . 534 62 62 ALA HB H 1.541 0.0 . 535 62 62 ALA CA C 55.200 0.0 . 536 62 62 ALA CB C 18.300 0.0 . 537 62 62 ALA N N 122.828 0.0 . 538 63 63 GLY H H 8.576 0.0 . 539 63 63 GLY HA2 H 3.913 0.0 . 540 63 63 GLY CA C 46.900 0.0 . 541 63 63 GLY N N 108.903 0.0 . 542 64 64 LYS H H 8.041 0.0 . 543 64 64 LYS HA H 4.292 0.0 . 544 64 64 LYS HB2 H 1.888 0.0 . 545 64 64 LYS HB3 H 1.776 0.0 . 546 64 64 LYS HG2 H 1.398 0.0 . 547 64 64 LYS HG3 H 1.628 0.0 . 548 64 64 LYS CA C 56.500 0.0 . 549 64 64 LYS CB C 29.750 0.0 . 550 64 64 LYS CD C 29.220 0.0 . 551 64 64 LYS CE C 41.339 0.0 . 552 64 64 LYS CG C 24.453 0.0 . 553 64 64 LYS N N 124.600 0.0 . 554 65 65 ARG H H 8.207 0.0 . 555 65 65 ARG HA H 3.560 0.0 . 556 65 65 ARG HB2 H 1.910 0.0 . 557 65 65 ARG HD2 H 3.000 0.0 . 558 65 65 ARG HD3 H 3.385 0.0 . 559 65 65 ARG HE H 7.141 0.0 . 560 65 65 ARG HG2 H 1.337 0.0 . 561 65 65 ARG HG3 H 1.495 0.0 . 562 65 65 ARG CA C 60.700 0.0 . 563 65 65 ARG CB C 29.660 0.0 . 564 65 65 ARG CD C 42.777 0.0 . 565 65 65 ARG CG C 28.150 0.0 . 566 65 65 ARG N N 121.604 0.0 . 567 66 66 ALA H H 7.625 0.0 . 568 66 66 ALA HA H 4.153 0.0 . 569 66 66 ALA HB H 1.495 0.0 . 570 66 66 ALA CA C 54.900 0.0 . 571 66 66 ALA CB C 17.880 0.0 . 572 66 66 ALA N N 119.850 0.0 . 573 67 67 GLU H H 7.608 0.0 . 574 67 67 GLU HA H 4.089 0.0 . 575 67 67 GLU HB2 H 2.234 0.0 . 576 67 67 GLU HG2 H 2.478 0.0 . 577 67 67 GLU HG3 H 2.140 0.0 . 578 67 67 GLU CA C 59.120 0.0 . 579 67 67 GLU CB C 30.582 0.0 . 580 67 67 GLU CG C 36.240 0.0 . 581 67 67 GLU N N 118.592 0.0 . 582 68 68 LEU H H 8.011 0.0 . 583 68 68 LEU HA H 4.257 0.0 . 584 68 68 LEU HB2 H 1.804 0.0 . 585 68 68 LEU HB3 H 1.342 0.0 . 586 68 68 LEU HD1 H 0.733 0.0 . 587 68 68 LEU HD2 H 0.565 0.0 . 588 68 68 LEU HG H 1.810 0.0 . 589 68 68 LEU CA C 56.431 0.0 . 590 68 68 LEU CB C 42.700 0.0 . 591 68 68 LEU CD1 C 22.143 0.0 . 592 68 68 LEU CD2 C 26.600 0.0 . 593 68 68 LEU CG C 26.604 0.0 . 594 68 68 LEU N N 119.000 0.0 . 595 69 69 GLU H H 8.270 0.0 . 596 69 69 GLU HA H 4.201 0.0 . 597 69 69 GLU HB2 H 2.058 0.0 . 598 69 69 GLU HG2 H 2.526 0.0 . 599 69 69 GLU HG3 H 2.254 0.0 . 600 69 69 GLU CA C 57.780 0.0 . 601 69 69 GLU CB C 30.395 0.0 . 602 69 69 GLU CG C 37.210 0.0 . 603 69 69 GLU N N 120.600 0.0 . 604 70 70 ASP H H 7.781 0.0 . 605 70 70 ASP HA H 4.348 0.0 . 606 70 70 ASP HB2 H 2.825 0.0 . 607 70 70 ASP HB3 H 2.692 0.0 . 608 70 70 ASP CA C 54.550 0.0 . 609 70 70 ASP CB C 41.230 0.0 . 610 70 70 ASP N N 121.602 0.0 . 611 71 71 SER H H 8.110 0.0 . 612 71 71 SER HA H 4.510 0.0 . 613 71 71 SER HB2 H 3.942 0.0 . 614 71 71 SER HB3 H 3.886 0.0 . 615 71 71 SER CA C 58.550 0.0 . 616 71 71 SER CB C 64.520 0.0 . 617 71 71 SER N N 117.156 0.0 . 618 72 72 ASP H H 8.431 0.0 . 619 72 72 ASP HA H 4.704 0.0 . 620 72 72 ASP HB2 H 2.750 0.0 . 621 72 72 ASP HB3 H 2.659 0.0 . 622 72 72 ASP CA C 54.530 0.0 . 623 72 72 ASP CB C 41.540 0.0 . 624 72 72 ASP N N 124.451 0.0 . 625 73 73 ASP H H 8.304 0.0 . 626 73 73 ASP HA H 4.614 0.0 . 627 73 73 ASP HB2 H 2.692 0.0 . 628 73 73 ASP HB3 H 2.603 0.0 . 629 73 73 ASP CA C 54.567 0.0 . 630 73 73 ASP CB C 41.360 0.0 . 631 73 73 ASP N N 122.380 0.0 . 632 74 74 GLU H H 8.374 0.0 . 633 74 74 GLU HA H 4.320 0.0 . 634 74 74 GLU HB2 H 2.053 0.0 . 635 74 74 GLU HB3 H 1.956 0.0 . 636 74 74 GLU HG2 H 2.240 0.0 . 637 74 74 GLU HG3 H 2.300 0.0 . 638 74 74 GLU CA C 56.610 0.0 . 639 74 74 GLU CB C 30.490 0.0 . 640 74 74 GLU CG C 36.039 0.0 . 641 74 74 GLU N N 122.770 0.0 . 642 75 75 VAL H H 8.223 0.0 . 643 75 75 VAL HA H 4.121 0.0 . 644 75 75 VAL HB H 2.062 0.0 . 645 75 75 VAL HG1 H 0.944 0.0 . 646 75 75 VAL HG2 H 0.952 0.0 . 647 75 75 VAL CA C 62.220 0.0 . 648 75 75 VAL CB C 33.234 0.0 . 649 75 75 VAL CG1 C 21.478 0.0 . 650 75 75 VAL CG2 C 20.740 0.0 . 651 75 75 VAL N N 123.295 0.0 . 652 76 76 GLU H H 8.507 0.0 . 653 76 76 GLU HA H 4.306 0.0 . 654 76 76 GLU HB2 H 2.019 0.0 . 655 76 76 GLU HB3 H 1.934 0.0 . 656 76 76 GLU HG2 H 2.234 0.0 . 657 76 76 GLU HG3 H 2.273 0.0 . 658 76 76 GLU CA C 56.570 0.0 . 659 76 76 GLU CB C 30.521 0.0 . 660 76 76 GLU CG C 36.250 0.0 . 661 76 76 GLU N N 126.957 0.0 . 662 77 77 GLU H H 8.500 0.0 . 663 77 77 GLU HA H 4.323 0.0 . 664 77 77 GLU HB2 H 1.930 0.0 . 665 77 77 GLU HG2 H 2.224 0.0 . 666 77 77 GLU HG3 H 2.287 0.0 . 667 77 77 GLU CA C 56.560 0.0 . 668 77 77 GLU CB C 30.569 0.0 . 669 77 77 GLU CG C 36.250 0.0 . 670 77 77 GLU N N 124.615 0.0 . 671 78 78 SER H H 8.300 0.0 . 672 78 78 SER HA H 4.426 0.0 . 673 78 78 SER HB2 H 3.778 0.0 . 674 78 78 SER HG H 4.785 0.0 . 675 78 78 SER CA C 58.120 0.0 . 676 78 78 SER CB C 64.380 0.0 . 677 78 78 SER N N 119.083 0.0 . 678 79 79 PHE H H 7.853 0.0 . 679 79 79 PHE HA H 4.470 0.0 . 680 79 79 PHE HB2 H 3.182 0.0 . 681 79 79 PHE HB3 H 2.958 0.0 . 682 79 79 PHE HD1 H 7.254 0.0 . 683 79 79 PHE CA C 59.320 0.0 . 684 79 79 PHE CB C 40.620 0.0 . 685 79 79 PHE N N 128.353 0.0 . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $Felix stop_ loop_ _Experiment_label '2D 1H-15N HSQC, Steady state {1H}-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'subunit 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 MET -1.161 0.566 6 LEU 0.101 0.015 10 GLN 0.340 0.029 11 PHE 0.659 0.046 12 LEU 0.597 0.093 13 TYR 0.711 0.059 14 GLU 0.605 0.162 15 ALA 0.653 0.041 16 SER 0.792 0.033 17 ILE 0.318 0.040 18 ASP 0.608 0.013 19 GLU 0.249 0.007 20 PHE 0.273 0.011 21 MET 0.818 0.024 22 GLY 0.800 0.001 23 LYS 0.770 0.022 24 ILE 0.763 0.073 25 ALA 0.748 0.018 26 SER 0.792 0.094 27 CYS 0.816 0.120 28 GLN 0.817 0.127 29 THR 0.807 0.039 30 LEU 0.817 0.024 31 GLU 0.744 0.036 32 GLY 0.896 0.112 33 LEU 0.826 0.016 34 GLU 0.772 0.046 35 GLU 0.684 0.016 36 LEU 0.747 0.030 37 GLU 0.736 0.040 38 ALA 0.568 0.022 39 TYR 0.776 0.017 40 TYR 0.769 0.031 41 LYS 0.820 0.025 42 LYS 0.737 0.028 43 ARG 0.772 0.046 44 VAL 0.684 0.016 45 LYS 0.579 0.210 46 GLU 0.754 0.039 47 THR 0.786 0.104 48 GLU 0.142 0.017 49 LEU 0.641 0.008 50 LYS 0.699 0.123 51 ASP 0.739 0.047 52 THR 0.751 0.015 53 ASP 0.701 0.032 54 ASP 0.728 0.005 55 ILE 0.756 0.022 56 SER 0.837 0.022 57 VAL 0.771 0.010 58 ARG 0.725 0.041 59 ASP 0.788 0.031 60 ALA 0.784 0.009 61 LEU 0.807 0.010 62 ALA 0.681 0.042 63 GLY 0.801 0.051 64 LYS 0.788 0.027 65 ARG 0.709 0.036 66 ALA 0.726 0.011 67 GLU 0.748 0.081 68 LEU 0.710 0.038 69 GLU 0.667 0.017 70 ASP 0.555 0.003 71 SER 0.113 0.032 72 ASP -0.089 0.018 73 ASP -0.091 0.011 74 GLU -0.520 0.033 75 VAL -0.358 0.009 76 GLU -0.632 0.024 77 GLU -1.120 0.014 78 SER -5.156 0.322 79 PHE -2.538 0.039 stop_ save_