data_18935 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; African Swine Fever Virus Pol X in the ternary complex with MgdGTP and DNA ; _BMRB_accession_number 18935 _BMRB_flat_file_name bmr18935.str _Entry_type original _Submission_date 2013-01-03 _Accession_date 2013-01-03 _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 Wu Wen-Jin . . 2 Su Mei-I . . 3 Tsai Ming-Daw . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 300 "13C chemical shifts" 571 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2014-03-31 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18933 'African Swine Fever Virus Pol X (free form)' 18934 'Binary complex of African Swine Fever Virus Pol X with MgdGTP' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'How a low-fidelity DNA polymerase chooses non-watson-crick from watson-crick incorporation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24617852 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Wen-Jin . . 2 Su Mei-I . . 3 Wu Jian-Li . . 4 Kumar Sandeep . . 5 Lim Liang-Hin . . 6 Wang 'Chun-Wei Eric' . . 7 Nelissen Frank H.T. . 8 Chen 'Ming-Chuan Chad' . . 9 Doreleijers Jurgen F. . 10 Wijmenga Sybren S. . 11 Tsai Ming-Daw . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 136 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4927 _Page_last 4937 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'African Swine Fever Virus Pol X in the ternary complex with MgdGTP and DNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'African Swine Fever Virus Pol X' $entity 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE $entity_DGT MG2_1 $entity_MG MG2_2 $entity_MG DNA $DNA 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 20351.670 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; MLTLIQGKKIVNHLRSRLAF EYNGQLIKILSKNIVAVGSL RREEKMLNDVDLLIIVPEKK LLKHVLPNIRIKGLSFSVKV CGERKCVLFIEWEKKTYQLD LFTALAEEKPYAIFHFTGPV SYLIRIRAALKKKNYKLNQY GLFKNQTLVPLKITTEKELI KELGFTYRIPKKRL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 THR 4 LEU 5 ILE 6 GLN 7 GLY 8 LYS 9 LYS 10 ILE 11 VAL 12 ASN 13 HIS 14 LEU 15 ARG 16 SER 17 ARG 18 LEU 19 ALA 20 PHE 21 GLU 22 TYR 23 ASN 24 GLY 25 GLN 26 LEU 27 ILE 28 LYS 29 ILE 30 LEU 31 SER 32 LYS 33 ASN 34 ILE 35 VAL 36 ALA 37 VAL 38 GLY 39 SER 40 LEU 41 ARG 42 ARG 43 GLU 44 GLU 45 LYS 46 MET 47 LEU 48 ASN 49 ASP 50 VAL 51 ASP 52 LEU 53 LEU 54 ILE 55 ILE 56 VAL 57 PRO 58 GLU 59 LYS 60 LYS 61 LEU 62 LEU 63 LYS 64 HIS 65 VAL 66 LEU 67 PRO 68 ASN 69 ILE 70 ARG 71 ILE 72 LYS 73 GLY 74 LEU 75 SER 76 PHE 77 SER 78 VAL 79 LYS 80 VAL 81 CYS 82 GLY 83 GLU 84 ARG 85 LYS 86 CYS 87 VAL 88 LEU 89 PHE 90 ILE 91 GLU 92 TRP 93 GLU 94 LYS 95 LYS 96 THR 97 TYR 98 GLN 99 LEU 100 ASP 101 LEU 102 PHE 103 THR 104 ALA 105 LEU 106 ALA 107 GLU 108 GLU 109 LYS 110 PRO 111 TYR 112 ALA 113 ILE 114 PHE 115 HIS 116 PHE 117 THR 118 GLY 119 PRO 120 VAL 121 SER 122 TYR 123 LEU 124 ILE 125 ARG 126 ILE 127 ARG 128 ALA 129 ALA 130 LEU 131 LYS 132 LYS 133 LYS 134 ASN 135 TYR 136 LYS 137 LEU 138 ASN 139 GLN 140 TYR 141 GLY 142 LEU 143 PHE 144 LYS 145 ASN 146 GLN 147 THR 148 LEU 149 VAL 150 PRO 151 LEU 152 LYS 153 ILE 154 THR 155 THR 156 GLU 157 LYS 158 GLU 159 LEU 160 ILE 161 LYS 162 GLU 163 LEU 164 GLY 165 PHE 166 THR 167 TYR 168 ARG 169 ILE 170 PRO 171 LYS 172 LYS 173 ARG 174 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 18933 entity 100.00 174 100.00 100.00 1.99e-119 BMRB 18934 entity_1 100.00 174 100.00 100.00 1.99e-119 PDB 1JAJ "Solution Structure Of Dna Polymerase X From The African Swine Fever Virus" 100.00 174 100.00 100.00 1.99e-119 PDB 1JQR "Nmr Structure Of The African Swine Fever Virus Dna Polymerase X" 100.00 174 100.00 100.00 1.99e-119 PDB 2M2T "Asfv Pol X Structure" 100.00 174 100.00 100.00 1.99e-119 PDB 2M2U "Binary Complex Of African Swine Fever Virus Pol X With Mgdgtp" 100.00 174 100.00 100.00 1.99e-119 PDB 2M2V "African Swine Fever Virus Pol X In The Ternary Complex With Mgdgtp And Dna" 100.00 174 100.00 100.00 1.99e-119 PDB 2M2W "Ternary Complex Of Asfv Pol X With Dna And Mgdgtp" 100.00 174 100.00 100.00 1.99e-119 EMBL CAN10196 "DNA polymerase beta-like protein [African swine fever virus Benin 97/1]" 100.00 174 100.00 100.00 1.99e-119 EMBL CAN10446 "DNA polymerase beta-like protein [African swine fever virus OURT 88/3]" 100.00 174 100.00 100.00 1.99e-119 EMBL CBH29197 "BA71V-O174L [African swine fever virus E75]" 100.00 174 100.00 100.00 1.99e-119 GB AAA65326 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 GB AIY22288 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 GB AIY22446 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 GB AKO62778 "pO174L [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 PRF 2113434DC "DNA polymerase beta-like protein" 100.00 174 100.00 100.00 1.99e-119 REF NP_042790 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 SP P0C984 "RecName: Full=Repair DNA polymerase X; Short=Pol X [African swine fever virus Malawi LIL 20/1]" 100.00 174 98.85 99.43 1.25e-117 SP P42494 "RecName: Full=Repair DNA polymerase X; Short=Pol X" 100.00 174 100.00 100.00 1.99e-119 stop_ save_ save_DNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count . _Mol_residue_sequence ; GGCGAAGCCGGGTGCGAAGC ACC ; loop_ _Residue_seq_code _Residue_label 1 DG 2 DG 3 DC 4 DG 5 DA 6 DA 7 DG 8 DC 9 DC 10 DG 11 DG 12 DG 13 DT 14 DG 15 DC 16 DG 17 DA 18 DA 19 DG 20 DC 21 DA 22 DC 23 DC stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MG (MAGNESIUM ION)" _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_DGT _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_DGT (2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE)" _BMRB_code DGT _PDB_code DGT _Molecular_mass 507.181 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? O3B O3B O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HO1G HO1G H . 0 . ? HO2G HO2G H . 0 . ? HO1B HO1B H . 0 . ? HO1A HO1A H . 0 . ? H5' H5' H . 0 . ? H5'A H5'A H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? H2'A H2'A H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN2 HN2 H . 0 . ? HN2A HN2A H . 0 . ? H16 H16 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING PG O1G ? ? SING PG O2G ? ? SING O1G HO1G ? ? SING O2G HO2G ? ? DOUB O3G PG ? ? SING O3B PG ? ? SING PB O3B ? ? SING PB O1B ? ? SING PB O3A ? ? SING O1B HO1B ? ? DOUB O2B PB ? ? SING PA O3A ? ? SING PA O1A ? ? SING O1A HO1A ? ? DOUB O2A PA ? ? SING O5' PA ? ? SING O5' C5' ? ? SING C5' H5' ? ? SING C5' H5'A ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' C4' ? ? SING C3' C4' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' C3' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING C2' H2'A ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING N9 C1' ? ? SING N9 C4 ? ? SING C8 N9 ? ? SING C8 H8 ? ? DOUB N7 C8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N1 ? ? DOUB O6 C6 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 N2 ? ? SING N2 HN2 ? ? SING N2 HN2A ? ? SING C4 N3 ? ? SING N1 H16 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'African Swine Fever Virus' 10497 Viruses . Asfivirus 'African Swine Fever Virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET-17b 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 $entity 0.5 mM 'ILV-CH3-[U-13C; U-15N; U-2H]' $entity_MG 10 mM 'natural abundance' $entity_DGT 4 mM 'natural abundance' DNA 0.6 mM '[U-100% 13C; U-100% 15N]' Borate 50 mM 'natural abundance' DTT 10 mM [U-2H] 'potassium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Haddock _Saveframe_category software _Name HADDOCK _Version . loop_ _Vendor _Address _Electronic_address 'Dr. Alexandre Bonvin' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HMCMCGCBCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCMCGCBCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . 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 HNCA' '3D HNCACB' '3D 1H-13C NOESY' 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 'African Swine Fever Virus Pol X' _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 2 2 LEU H H 9.251 0.020 1 2 2 2 LEU HD1 H 0.393 0.020 1 3 2 2 LEU HD2 H 0.439 0.020 1 4 2 2 LEU C C 175.307 0.3 1 5 2 2 LEU CA C 54.292 0.3 1 6 2 2 LEU CB C 42.684 0.3 1 7 2 2 LEU CD1 C 26.394 0.3 1 8 2 2 LEU CD2 C 25.253 0.3 1 9 2 2 LEU N N 119.937 0.3 1 10 3 3 THR H H 8.677 0.020 1 11 3 3 THR C C 175.854 0.3 1 12 3 3 THR CA C 60.540 0.3 1 13 3 3 THR CB C 70.782 0.3 1 14 3 3 THR N N 111.335 0.3 1 15 4 4 LEU H H 7.746 0.020 1 16 4 4 LEU HD1 H 1.171 0.020 1 17 4 4 LEU HD2 H 0.795 0.020 1 18 4 4 LEU C C 178.391 0.3 1 19 4 4 LEU CA C 58.064 0.3 1 20 4 4 LEU CB C 39.261 0.3 1 21 4 4 LEU CD1 C 23.323 0.3 1 22 4 4 LEU CD2 C 25.258 0.3 1 23 4 4 LEU N N 120.988 0.3 1 24 5 5 ILE H H 7.821 0.020 1 25 5 5 ILE HD1 H 0.923 0.020 1 26 5 5 ILE C C 178.339 0.3 1 27 5 5 ILE CA C 63.582 0.3 1 28 5 5 ILE CB C 36.799 0.3 1 29 5 5 ILE CD1 C 12.731 0.3 1 30 5 5 ILE N N 114.236 0.3 1 31 6 6 GLN H H 7.810 0.020 1 32 6 6 GLN C C 178.783 0.3 1 33 6 6 GLN CA C 58.220 0.3 1 34 6 6 GLN CB C 28.115 0.3 1 35 6 6 GLN N N 120.399 0.3 1 36 7 7 GLY H H 8.733 0.020 1 37 7 7 GLY C C 174.554 0.3 1 38 7 7 GLY CA C 46.934 0.3 1 39 7 7 GLY N N 106.277 0.3 1 40 8 8 LYS H H 8.688 0.020 1 41 8 8 LYS C C 179.433 0.3 1 42 8 8 LYS CA C 59.892 0.3 1 43 8 8 LYS CB C 31.332 0.3 1 44 8 8 LYS N N 119.991 0.3 1 45 9 9 LYS H H 8.015 0.020 1 46 9 9 LYS CA C 59.382 0.3 1 47 9 9 LYS CB C 31.435 0.3 1 48 9 9 LYS N N 119.175 0.3 1 49 10 10 ILE H H 7.967 0.020 1 50 10 10 ILE HD1 H -0.196 0.020 1 51 10 10 ILE C C 177.766 0.3 1 52 10 10 ILE CA C 64.676 0.3 1 53 10 10 ILE CB C 36.313 0.3 1 54 10 10 ILE CD1 C 13.100 0.3 1 55 10 10 ILE N N 120.308 0.3 1 56 11 11 VAL H H 8.128 0.020 1 57 11 11 VAL HG1 H 0.838 0.020 1 58 11 11 VAL HG2 H 0.896 0.020 1 59 11 11 VAL C C 176.606 0.3 1 60 11 11 VAL CA C 67.640 0.3 1 61 11 11 VAL CB C 30.209 0.3 1 62 11 11 VAL CG1 C 21.324 0.3 1 63 11 11 VAL CG2 C 25.055 0.3 1 64 11 11 VAL N N 119.130 0.3 1 65 12 12 ASN H H 8.203 0.020 1 66 12 12 ASN C C 177.375 0.3 1 67 12 12 ASN CA C 55.970 0.3 1 68 12 12 ASN CB C 37.563 0.3 1 69 12 12 ASN N N 115.822 0.3 1 70 13 13 HIS H H 7.861 0.020 1 71 13 13 HIS HB2 H 3.116 0.020 1 72 13 13 HIS HB3 H 3.116 0.020 1 73 13 13 HIS C C 177.287 0.3 1 74 13 13 HIS CA C 58.687 0.3 1 75 13 13 HIS CB C 30.021 0.3 1 76 13 13 HIS N N 117.659 0.3 1 77 14 14 LEU H H 8.376 0.020 1 78 14 14 LEU HD1 H 0.600 0.020 1 79 14 14 LEU HD2 H 0.676 0.020 1 80 14 14 LEU C C 179.092 0.3 1 81 14 14 LEU CA C 56.641 0.3 1 82 14 14 LEU CB C 41.020 0.3 1 83 14 14 LEU CD1 C 27.110 0.3 1 84 14 14 LEU CD2 C 23.315 0.3 1 85 14 14 LEU N N 115.595 0.3 1 86 15 15 ARG H H 8.074 0.020 1 87 15 15 ARG C C 176.265 0.3 1 88 15 15 ARG CA C 59.884 0.3 1 89 15 15 ARG CB C 29.072 0.3 1 90 15 15 ARG N N 115.006 0.3 1 91 16 16 SER H H 7.136 0.020 1 92 16 16 SER C C 176.009 0.3 1 93 16 16 SER CA C 57.244 0.3 1 94 16 16 SER CB C 63.525 0.3 1 95 16 16 SER N N 107.778 0.3 1 96 17 17 ARG H H 7.913 0.020 1 97 17 17 ARG C C 174.482 0.3 1 98 17 17 ARG CA C 56.322 0.3 1 99 17 17 ARG CB C 31.830 0.3 1 100 17 17 ARG N N 121.532 0.3 1 101 18 18 LEU H H 8.812 0.020 1 102 18 18 LEU HD1 H 0.653 0.020 1 103 18 18 LEU HD2 H 0.697 0.020 1 104 18 18 LEU C C 176.283 0.3 1 105 18 18 LEU CA C 54.698 0.3 1 106 18 18 LEU CB C 43.055 0.3 1 107 18 18 LEU CD1 C 25.339 0.3 1 108 18 18 LEU CD2 C 24.554 0.3 1 109 18 18 LEU N N 121.305 0.3 1 110 19 19 ALA H H 8.790 0.020 1 111 19 19 ALA C C 173.780 0.3 1 112 19 19 ALA CA C 50.802 0.3 1 113 19 19 ALA CB C 22.853 0.3 1 114 19 19 ALA N N 125.293 0.3 1 115 20 20 PHE H H 8.925 0.020 1 116 20 20 PHE HB2 H 3.058 0.020 2 117 20 20 PHE HB3 H 3.157 0.020 2 118 20 20 PHE HD1 H 6.987 0.020 1 119 20 20 PHE HD2 H 6.987 0.020 1 120 20 20 PHE C C 172.708 0.3 1 121 20 20 PHE CA C 55.598 0.3 1 122 20 20 PHE CB C 41.725 0.3 1 123 20 20 PHE N N 113.117 0.3 1 124 21 21 GLU H H 7.972 0.020 1 125 21 21 GLU C C 174.830 0.3 1 126 21 21 GLU CA C 54.963 0.3 1 127 21 21 GLU CB C 30.343 0.3 1 128 21 21 GLU N N 121.532 0.3 1 129 22 22 TYR H H 9.016 0.020 1 130 22 22 TYR HB2 H 2.618 0.020 2 131 22 22 TYR HB3 H 2.878 0.020 2 132 22 22 TYR HD1 H 6.580 0.020 1 133 22 22 TYR HD2 H 6.580 0.020 1 134 22 22 TYR C C 174.864 0.3 1 135 22 22 TYR CA C 55.288 0.3 1 136 22 22 TYR CB C 39.859 0.3 1 137 22 22 TYR N N 125.339 0.3 1 138 23 23 ASN H H 9.181 0.020 1 139 23 23 ASN C C 175.410 0.3 1 140 23 23 ASN CA C 53.054 0.3 1 141 23 23 ASN CB C 36.261 0.3 1 142 23 23 ASN N N 127.024 0.3 1 143 24 24 GLY H H 8.666 0.020 1 144 24 24 GLY C C 173.626 0.3 1 145 24 24 GLY CA C 44.935 0.3 1 146 24 24 GLY N N 102.755 0.3 1 147 25 25 GLN H H 7.708 0.020 1 148 25 25 GLN C C 173.657 0.3 1 149 25 25 GLN CA C 53.233 0.3 1 150 25 25 GLN CB C 30.805 0.3 1 151 25 25 GLN N N 118.722 0.3 1 152 26 26 LEU H H 8.543 0.020 1 153 26 26 LEU HD1 H 0.718 0.020 1 154 26 26 LEU HD2 H 0.719 0.020 1 155 26 26 LEU C C 175.842 0.3 1 156 26 26 LEU CA C 53.986 0.3 1 157 26 26 LEU CB C 40.807 0.3 1 158 26 26 LEU CD1 C 24.199 0.3 1 159 26 26 LEU CD2 C 24.550 0.3 1 160 26 26 LEU N N 123.526 0.3 1 161 27 27 ILE H H 8.989 0.020 1 162 27 27 ILE HD1 H 0.622 0.020 1 163 27 27 ILE C C 175.085 0.3 1 164 27 27 ILE CA C 58.973 0.3 1 165 27 27 ILE CB C 35.552 0.3 1 166 27 27 ILE CD1 C 11.492 0.3 1 167 27 27 ILE N N 129.462 0.3 1 168 28 28 LYS H H 8.311 0.020 1 169 28 28 LYS C C 176.725 0.3 1 170 28 28 LYS CA C 56.810 0.3 1 171 28 28 LYS CB C 31.817 0.3 1 172 28 28 LYS N N 125.157 0.3 1 173 29 29 ILE H H 8.209 0.020 1 174 29 29 ILE HD1 H 0.752 0.020 1 175 29 29 ILE C C 175.685 0.3 1 176 29 29 ILE CA C 60.405 0.3 1 177 29 29 ILE CB C 37.031 0.3 1 178 29 29 ILE CD1 C 13.389 0.3 1 179 29 29 ILE N N 125.565 0.3 1 180 30 30 LEU H H 9.027 0.020 1 181 30 30 LEU HD1 H 0.973 0.020 1 182 30 30 LEU HD2 H 0.903 0.020 1 183 30 30 LEU C C 178.794 0.3 1 184 30 30 LEU CA C 54.443 0.3 1 185 30 30 LEU CB C 40.836 0.3 1 186 30 30 LEU CD1 C 25.349 0.3 1 187 30 30 LEU CD2 C 22.182 0.3 1 188 30 30 LEU N N 127.831 0.3 1 189 31 31 SER H H 8.887 0.020 1 190 31 31 SER C C 177.464 0.3 1 191 31 31 SER CA C 61.180 0.3 1 192 31 31 SER CB C 62.105 0.3 1 193 31 31 SER N N 116.864 0.3 1 194 32 32 LYS H H 8.290 0.020 1 195 32 32 LYS C C 176.243 0.3 1 196 32 32 LYS CA C 57.292 0.3 1 197 32 32 LYS CB C 30.266 0.3 1 198 32 32 LYS N N 114.825 0.3 1 199 33 33 ASN H H 8.051 0.020 1 200 33 33 ASN C C 172.253 0.3 1 201 33 33 ASN CA C 52.091 0.3 1 202 33 33 ASN CB C 38.339 0.3 1 203 33 33 ASN N N 117.564 0.3 1 204 34 34 ILE H H 7.670 0.020 1 205 34 34 ILE HD1 H 0.814 0.020 1 206 34 34 ILE C C 175.343 0.3 1 207 34 34 ILE CA C 60.553 0.3 1 208 34 34 ILE CB C 38.867 0.3 1 209 34 34 ILE CD1 C 15.632 0.3 1 210 34 34 ILE N N 118.949 0.3 1 211 35 35 VAL H H 9.698 0.020 1 212 35 35 VAL HG1 H 0.879 0.020 1 213 35 35 VAL HG2 H 0.812 0.020 1 214 35 35 VAL C C 175.543 0.3 1 215 35 35 VAL CA C 60.014 0.3 1 216 35 35 VAL CB C 34.231 0.3 1 217 35 35 VAL CG1 C 20.352 0.3 1 218 35 35 VAL CG2 C 19.927 0.3 1 219 35 35 VAL N N 128.355 0.3 1 220 36 36 ALA H H 8.917 0.020 1 221 36 36 ALA C C 177.015 0.3 1 222 36 36 ALA CA C 52.396 0.3 1 223 36 36 ALA CB C 17.622 0.3 1 224 36 36 ALA N N 129.553 0.3 1 225 37 37 VAL H H 8.214 0.020 1 226 37 37 VAL HG1 H 0.626 0.020 1 227 37 37 VAL HG2 H 0.869 0.020 1 228 37 37 VAL C C 174.649 0.3 1 229 37 37 VAL CA C 59.321 0.3 1 230 37 37 VAL CB C 32.386 0.3 1 231 37 37 VAL CG1 C 18.106 0.3 1 232 37 37 VAL CG2 C 22.794 0.3 1 233 37 37 VAL N N 115.006 0.3 1 234 38 38 GLY H H 8.677 0.020 1 235 38 38 GLY C C 174.152 0.3 1 236 38 38 GLY CA C 45.497 0.3 1 237 38 38 GLY N N 109.387 0.3 1 238 39 39 SER H H 9.705 0.020 1 239 39 39 SER C C 175.129 0.3 1 240 39 39 SER CA C 60.036 0.3 1 241 39 39 SER CB C 61.522 0.3 1 242 39 39 SER N N 116.776 0.3 1 243 40 40 LEU H H 7.311 0.020 1 244 40 40 LEU HD1 H 0.814 0.020 1 245 40 40 LEU HD2 H 0.795 0.020 1 246 40 40 LEU C C 180.558 0.3 1 247 40 40 LEU CA C 58.373 0.3 1 248 40 40 LEU CB C 41.877 0.3 1 249 40 40 LEU CD1 C 26.216 0.3 1 250 40 40 LEU CD2 C 26.388 0.3 1 251 40 40 LEU N N 113.696 0.3 1 252 41 41 ARG H H 6.999 0.020 1 253 41 41 ARG C C 176.964 0.3 1 254 41 41 ARG CA C 58.451 0.3 1 255 41 41 ARG CB C 28.205 0.3 1 256 41 41 ARG N N 121.162 0.3 1 257 42 42 ARG H H 7.041 0.020 1 258 42 42 ARG C C 172.564 0.3 1 259 42 42 ARG CA C 56.380 0.3 1 260 42 42 ARG CB C 28.349 0.3 1 261 42 42 ARG N N 111.109 0.3 1 262 43 43 GLU H H 7.757 0.020 1 263 43 43 GLU C C 176.202 0.3 1 264 43 43 GLU CA C 56.454 0.3 1 265 43 43 GLU CB C 25.301 0.3 1 266 43 43 GLU N N 111.924 0.3 1 267 44 44 GLU H H 7.461 0.020 1 268 44 44 GLU C C 175.197 0.3 1 269 44 44 GLU CA C 56.128 0.3 1 270 44 44 GLU CB C 28.559 0.3 1 271 44 44 GLU N N 117.861 0.3 1 272 45 45 LYS H H 8.123 0.020 1 273 45 45 LYS C C 177.733 0.3 1 274 45 45 LYS CA C 59.055 0.3 1 275 45 45 LYS CB C 32.027 0.3 1 276 45 45 LYS N N 115.051 0.3 1 277 46 46 MET H H 7.767 0.020 1 278 46 46 MET C C 174.067 0.3 1 279 46 46 MET CA C 52.477 0.3 1 280 46 46 MET CB C 33.974 0.3 1 281 46 46 MET N N 114.009 0.3 1 282 47 47 LEU H H 9.481 0.020 1 283 47 47 LEU HD1 H 0.811 0.020 1 284 47 47 LEU HD2 H 0.709 0.020 1 285 47 47 LEU C C 177.669 0.3 1 286 47 47 LEU CA C 52.201 0.3 1 287 47 47 LEU CB C 42.908 0.3 1 288 47 47 LEU CD2 C 22.893 0.3 1 289 47 47 LEU N N 120.263 0.3 1 290 48 48 ASN H H 9.388 0.020 1 291 48 48 ASN C C 174.715 0.3 1 292 48 48 ASN CA C 55.501 0.3 1 293 48 48 ASN CB C 38.828 0.3 1 294 48 48 ASN N N 118.632 0.3 1 295 49 49 ASP H H 7.670 0.020 1 296 49 49 ASP C C 174.111 0.3 1 297 49 49 ASP CA C 51.201 0.3 1 298 49 49 ASP CB C 40.077 0.3 1 299 49 49 ASP N N 115.867 0.3 1 300 50 50 VAL H H 8.339 0.020 1 301 50 50 VAL HG1 H 0.581 0.020 1 302 50 50 VAL HG2 H 0.698 0.020 1 303 50 50 VAL C C 172.333 0.3 1 304 50 50 VAL CA C 61.915 0.3 1 305 50 50 VAL CB C 32.965 0.3 1 306 50 50 VAL CG1 C 21.319 0.3 1 307 50 50 VAL CG2 C 21.403 0.3 1 308 50 50 VAL N N 119.185 0.3 1 309 51 51 ASP H H 8.984 0.020 1 310 51 51 ASP C C 173.725 0.3 1 311 51 51 ASP CA C 53.028 0.3 1 312 51 51 ASP CB C 43.829 0.3 1 313 51 51 ASP N N 124.704 0.3 1 314 52 52 LEU H H 9.081 0.020 1 315 52 52 LEU HD1 H 0.329 0.020 1 316 52 52 LEU HD2 H 0.756 0.020 1 317 52 52 LEU C C 173.045 0.3 1 318 52 52 LEU CA C 52.871 0.3 1 319 52 52 LEU CB C 44.253 0.3 1 320 52 52 LEU CD1 C 25.685 0.3 1 321 52 52 LEU CD2 C 25.977 0.3 1 322 52 52 LEU N N 120.943 0.3 1 323 53 53 LEU H H 9.146 0.020 1 324 53 53 LEU HD1 H 0.750 0.020 1 325 53 53 LEU HD2 H 0.729 0.020 1 326 53 53 LEU C C 173.750 0.3 1 327 53 53 LEU CA C 52.333 0.3 1 328 53 53 LEU CB C 45.008 0.3 1 329 53 53 LEU CD1 C 23.461 0.3 1 330 53 53 LEU CD2 C 27.428 0.3 1 331 53 53 LEU N N 123.027 0.3 1 332 54 54 ILE H H 9.440 0.020 1 333 54 54 ILE HD1 H 0.605 0.020 1 334 54 54 ILE C C 175.132 0.3 1 335 54 54 ILE CA C 58.598 0.3 1 336 54 54 ILE CB C 38.561 0.3 1 337 54 54 ILE CD1 C 13.531 0.3 1 338 54 54 ILE N N 126.562 0.3 1 339 55 55 ILE H H 9.381 0.020 1 340 55 55 ILE HD1 H 0.633 0.020 1 341 55 55 ILE C C 175.655 0.3 1 342 55 55 ILE CA C 57.561 0.3 1 343 55 55 ILE CB C 34.306 0.3 1 344 55 55 ILE CD1 C 10.372 0.3 1 345 55 55 ILE N N 126.879 0.3 1 346 56 56 VAL H H 9.227 0.020 1 347 56 56 VAL HG1 H 0.832 0.020 1 348 56 56 VAL HG2 H 0.822 0.020 1 349 56 56 VAL C C 176.389 0.3 1 350 56 56 VAL CA C 58.630 0.3 1 351 56 56 VAL CB C 32.784 0.3 1 352 56 56 VAL CG1 C 21.650 0.3 1 353 56 56 VAL CG2 C 21.773 0.3 1 354 56 56 VAL N N 128.936 0.3 1 355 58 58 GLU H H 6.685 0.020 1 356 58 58 GLU C C 175.946 0.3 1 357 58 58 GLU CA C 54.300 0.3 1 358 58 58 GLU CB C 32.097 0.3 1 359 58 58 GLU N N 112.423 0.3 1 360 59 59 LYS H H 9.108 0.020 1 361 59 59 LYS C C 179.248 0.3 1 362 59 59 LYS CA C 59.774 0.3 1 363 59 59 LYS CB C 31.077 0.3 1 364 59 59 LYS N N 125.293 0.3 1 365 60 60 LYS H H 9.102 0.020 1 366 60 60 LYS C C 177.198 0.3 1 367 60 60 LYS CA C 58.213 0.3 1 368 60 60 LYS CB C 30.583 0.3 1 369 60 60 LYS N N 117.408 0.3 1 370 61 61 LEU H H 7.455 0.020 1 371 61 61 LEU HD1 H 0.934 0.020 1 372 61 61 LEU HD2 H 0.476 0.020 1 373 61 61 LEU C C 178.790 0.3 1 374 61 61 LEU CA C 55.024 0.3 1 375 61 61 LEU CB C 40.864 0.3 1 376 61 61 LEU CD1 C 25.610 0.3 1 377 61 61 LEU CD2 C 21.704 0.3 1 378 61 61 LEU N N 114.779 0.3 1 379 62 62 LEU H H 7.714 0.020 1 380 62 62 LEU HD1 H 0.880 0.020 1 381 62 62 LEU HD2 H 0.812 0.020 1 382 62 62 LEU C C 177.762 0.3 1 383 62 62 LEU CA C 58.198 0.3 1 384 62 62 LEU CB C 40.731 0.3 1 385 62 62 LEU CD1 C 23.848 0.3 1 386 62 62 LEU CD2 C 23.453 0.3 1 387 62 62 LEU N N 119.629 0.3 1 388 63 63 LYS H H 7.751 0.020 1 389 63 63 LYS C C 175.386 0.3 1 390 63 63 LYS CA C 57.356 0.3 1 391 63 63 LYS CB C 30.963 0.3 1 392 63 63 LYS N N 112.921 0.3 1 393 64 64 HIS H H 7.697 0.020 1 394 64 64 HIS HB2 H 2.779 0.020 1 395 64 64 HIS HB3 H 2.779 0.020 1 396 64 64 HIS C C 176.081 0.3 1 397 64 64 HIS CA C 55.769 0.3 1 398 64 64 HIS CB C 32.370 0.3 1 399 64 64 HIS N N 112.468 0.3 1 400 65 65 VAL H H 6.917 0.020 1 401 65 65 VAL HG1 H 0.341 0.020 1 402 65 65 VAL HG2 H -0.074 0.020 1 403 65 65 VAL C C 174.301 0.3 1 404 65 65 VAL CA C 66.330 0.3 1 405 65 65 VAL CB C 29.360 0.3 1 406 65 65 VAL CG1 C 20.178 0.3 1 407 65 65 VAL CG2 C 20.618 0.3 1 408 65 65 VAL N N 117.499 0.3 1 409 66 66 LEU H H 9.102 0.020 1 410 66 66 LEU HD1 H 0.551 0.020 1 411 66 66 LEU HD2 H 0.470 0.020 1 412 66 66 LEU CA C 57.850 0.3 1 413 66 66 LEU CB C 36.058 0.3 1 414 66 66 LEU CD1 C 24.915 0.3 1 415 66 66 LEU CD2 C 22.627 0.3 1 416 66 66 LEU N N 113.873 0.3 1 417 68 68 ASN H H 7.234 0.020 1 418 68 68 ASN C C 174.877 0.3 1 419 68 68 ASN CA C 50.815 0.3 1 420 68 68 ASN CB C 40.311 0.3 1 421 68 68 ASN N N 110.792 0.3 1 422 69 69 ILE H H 7.428 0.020 1 423 69 69 ILE HD1 H 0.765 0.020 1 424 69 69 ILE CA C 59.912 0.3 1 425 69 69 ILE CB C 38.038 0.3 1 426 69 69 ILE CD1 C 13.691 0.3 1 427 69 69 ILE N N 122.348 0.3 1 428 70 70 ARG H H 9.083 0.020 1 429 70 70 ARG C C 174.596 0.3 1 430 70 70 ARG CA C 53.161 0.3 1 431 70 70 ARG CB C 32.453 0.3 1 432 70 70 ARG N N 125.701 0.3 1 433 71 71 ILE H H 7.864 0.020 1 434 71 71 ILE HD1 H 0.102 0.020 1 435 71 71 ILE C C 175.625 0.3 1 436 71 71 ILE CA C 59.776 0.3 1 437 71 71 ILE CB C 37.967 0.3 1 438 71 71 ILE CD1 C 12.539 0.3 1 439 71 71 ILE N N 118.496 0.3 1 440 72 72 LYS H H 8.720 0.020 1 441 72 72 LYS C C 177.659 0.3 1 442 72 72 LYS CA C 57.428 0.3 1 443 72 72 LYS CB C 31.374 0.3 1 444 72 72 LYS N N 127.423 0.3 1 445 73 73 GLY H H 8.930 0.020 1 446 73 73 GLY C C 173.729 0.3 1 447 73 73 GLY CA C 45.831 0.3 1 448 73 73 GLY N N 112.604 0.3 1 449 74 74 LEU H H 7.547 0.020 1 450 74 74 LEU HD1 H 1.118 0.020 1 451 74 74 LEU HD2 H 1.085 0.020 1 452 74 74 LEU C C 175.802 0.3 1 453 74 74 LEU CA C 53.661 0.3 1 454 74 74 LEU CB C 44.053 0.3 1 455 74 74 LEU CD1 C 25.227 0.3 1 456 74 74 LEU CD2 C 25.508 0.3 1 457 74 74 LEU N N 119.538 0.3 1 458 75 75 SER H H 9.076 0.020 1 459 75 75 SER C C 173.111 0.3 1 460 75 75 SER CA C 57.696 0.3 1 461 75 75 SER CB C 63.073 0.3 1 462 75 75 SER N N 118.994 0.3 1 463 76 76 PHE H H 8.119 0.020 1 464 76 76 PHE HB2 H 2.929 0.020 2 465 76 76 PHE HB3 H 3.110 0.020 2 466 76 76 PHE HD1 H 7.026 0.020 3 467 76 76 PHE HD2 H 7.026 0.020 1 468 76 76 PHE C C 173.564 0.3 1 469 76 76 PHE CA C 55.409 0.3 1 470 76 76 PHE CB C 41.843 0.3 1 471 76 76 PHE N N 117.802 0.3 1 472 77 77 SER H H 8.989 0.020 1 473 77 77 SER C C 173.194 0.3 1 474 77 77 SER CA C 55.999 0.3 1 475 77 77 SER CB C 65.218 0.3 1 476 77 77 SER N N 113.918 0.3 1 477 78 78 VAL H H 8.995 0.020 1 478 78 78 VAL HG1 H 0.829 0.020 1 479 78 78 VAL HG2 H 1.089 0.020 1 480 78 78 VAL C C 176.057 0.3 1 481 78 78 VAL CA C 62.091 0.3 1 482 78 78 VAL CB C 32.294 0.3 1 483 78 78 VAL CG1 C 21.400 0.3 1 484 78 78 VAL CG2 C 20.966 0.3 1 485 78 78 VAL N N 123.662 0.3 1 486 79 79 LYS H H 9.425 0.020 1 487 79 79 LYS C C 176.436 0.3 1 488 79 79 LYS CA C 57.652 0.3 1 489 79 79 LYS CB C 32.473 0.3 1 490 79 79 LYS N N 129.417 0.3 1 491 80 80 VAL H H 7.380 0.020 1 492 80 80 VAL HG1 H 1.019 0.020 1 493 80 80 VAL HG2 H 0.804 0.020 1 494 80 80 VAL CA C 59.097 0.3 1 495 80 80 VAL CB C 34.082 0.3 1 496 80 80 VAL CG1 C 22.273 0.3 1 497 80 80 VAL CG2 C 18.683 0.3 1 498 80 80 VAL N N 108.616 0.3 1 499 81 81 CYS H H 9.759 0.020 1 500 81 81 CYS C C 172.053 0.3 1 501 81 81 CYS CA C 59.739 0.3 1 502 81 81 CYS CB C 27.332 0.3 1 503 81 81 CYS N N 123.254 0.3 1 504 82 82 GLY H H 8.537 0.020 1 505 82 82 GLY C C 171.814 0.3 1 506 82 82 GLY CA C 44.353 0.3 1 507 82 82 GLY N N 118.450 0.3 1 508 83 83 GLU H H 8.473 0.020 1 509 83 83 GLU C C 179.320 0.3 1 510 83 83 GLU CA C 57.675 0.3 1 511 83 83 GLU CB C 29.907 0.3 1 512 83 83 GLU N N 113.964 0.3 1 513 84 84 ARG H H 9.760 0.020 1 514 84 84 ARG C C 177.252 0.3 1 515 84 84 ARG CA C 54.504 0.3 1 516 84 84 ARG CB C 31.546 0.3 1 517 84 84 ARG N N 117.544 0.3 1 518 85 85 LYS H H 8.494 0.020 1 519 85 85 LYS C C 173.379 0.3 1 520 85 85 LYS CA C 55.232 0.3 1 521 85 85 LYS CB C 34.212 0.3 1 522 85 85 LYS N N 124.160 0.3 1 523 86 86 CYS H H 9.221 0.020 1 524 86 86 CYS C C 171.935 0.3 1 525 86 86 CYS CA C 55.878 0.3 1 526 86 86 CYS CB C 30.304 0.3 1 527 86 86 CYS N N 126.472 0.3 1 528 87 87 VAL H H 8.623 0.020 1 529 87 87 VAL HG1 H 0.762 0.020 1 530 87 87 VAL HG2 H 0.837 0.020 1 531 87 87 VAL C C 173.760 0.3 1 532 87 87 VAL CA C 61.333 0.3 1 533 87 87 VAL CB C 33.338 0.3 1 534 87 87 VAL CG1 C 20.178 0.3 1 535 87 87 VAL CG2 C 20.135 0.3 1 536 87 87 VAL N N 126.426 0.3 1 537 88 88 LEU H H 9.592 0.020 1 538 88 88 LEU HD2 H 0.576 0.020 1 539 88 88 LEU C C 175.424 0.3 1 540 88 88 LEU CA C 52.085 0.3 1 541 88 88 LEU CB C 44.544 0.3 1 542 88 88 LEU CD2 C 26.561 0.3 1 543 88 88 LEU N N 125.701 0.3 1 544 89 89 PHE H H 8.979 0.020 1 545 89 89 PHE HB2 H 2.793 0.020 2 546 89 89 PHE HB3 H 2.932 0.020 2 547 89 89 PHE HD1 H 7.081 0.020 1 548 89 89 PHE HD2 H 7.081 0.020 1 549 89 89 PHE C C 177.068 0.3 1 550 89 89 PHE CA C 55.875 0.3 1 551 89 89 PHE CB C 38.837 0.3 1 552 89 89 PHE N N 118.314 0.3 1 553 90 90 ILE H H 9.447 0.020 1 554 90 90 ILE HD1 H 0.760 0.020 1 555 90 90 ILE C C 173.692 0.3 1 556 90 90 ILE CA C 58.672 0.3 1 557 90 90 ILE CB C 40.183 0.3 1 558 90 90 ILE CD1 C 14.080 0.3 1 559 90 90 ILE N N 119.039 0.3 1 560 91 91 GLU H H 8.360 0.020 1 561 91 91 GLU C C 175.565 0.3 1 562 91 91 GLU CA C 54.465 0.3 1 563 91 91 GLU CB C 29.662 0.3 1 564 91 91 GLU N N 122.801 0.3 1 565 92 92 TRP H H 9.425 0.020 1 566 92 92 TRP HD1 H 7.026 0.020 1 567 92 92 TRP C C 175.070 0.3 1 568 92 92 TRP CA C 56.190 0.3 1 569 92 92 TRP CB C 30.582 0.3 1 570 92 92 TRP N N 126.018 0.3 1 571 93 93 GLU H H 8.914 0.020 1 572 93 93 GLU C C 175.637 0.3 1 573 93 93 GLU CA C 56.769 0.3 1 574 93 93 GLU CB C 25.944 0.3 1 575 93 93 GLU N N 126.381 0.3 1 576 94 94 LYS H H 8.634 0.020 1 577 94 94 LYS C C 175.359 0.3 1 578 94 94 LYS CA C 57.429 0.3 1 579 94 94 LYS CB C 28.642 0.3 1 580 94 94 LYS N N 107.891 0.3 1 581 95 95 LYS H H 7.924 0.020 1 582 95 95 LYS C C 174.369 0.3 1 583 95 95 LYS CA C 54.353 0.3 1 584 95 95 LYS CB C 34.463 0.3 1 585 95 95 LYS N N 120.490 0.3 1 586 96 96 THR H H 7.967 0.020 1 587 96 96 THR C C 174.317 0.3 1 588 96 96 THR CA C 61.203 0.3 1 589 96 96 THR CB C 69.348 0.3 1 590 96 96 THR N N 115.278 0.3 1 591 97 97 TYR H H 9.232 0.020 1 592 97 97 TYR HB2 H 2.387 0.020 2 593 97 97 TYR HB3 H 2.876 0.020 2 594 97 97 TYR HD1 H 7.051 0.020 1 595 97 97 TYR HD2 H 7.051 0.020 1 596 97 97 TYR C C 173.320 0.3 1 597 97 97 TYR CA C 55.884 0.3 1 598 97 97 TYR CB C 41.136 0.3 1 599 97 97 TYR N N 123.254 0.3 1 600 98 98 GLN H H 9.000 0.020 1 601 98 98 GLN C C 172.781 0.3 1 602 98 98 GLN CA C 55.171 0.3 1 603 98 98 GLN CB C 28.399 0.3 1 604 98 98 GLN N N 122.574 0.3 1 605 99 99 LEU H H 9.246 0.020 1 606 99 99 LEU HD1 H 0.590 0.020 1 607 99 99 LEU HD2 H 0.724 0.020 1 608 99 99 LEU C C 172.806 0.3 1 609 99 99 LEU CA C 52.050 0.3 1 610 99 99 LEU CB C 44.752 0.3 1 611 99 99 LEU CD1 C 23.350 0.3 1 612 99 99 LEU CD2 C 23.409 0.3 1 613 99 99 LEU N N 130.218 0.3 1 614 100 100 ASP H H 9.253 0.020 1 615 100 100 ASP C C 172.626 0.3 1 616 100 100 ASP CA C 50.430 0.3 1 617 100 100 ASP CB C 37.328 0.3 1 618 100 100 ASP N N 124.931 0.3 1 619 101 101 LEU H H 8.726 0.020 1 620 101 101 LEU HD1 H 0.589 0.020 1 621 101 101 LEU HD2 H 0.628 0.020 1 622 101 101 LEU C C 173.869 0.3 1 623 101 101 LEU CA C 51.655 0.3 1 624 101 101 LEU CB C 44.166 0.3 1 625 101 101 LEU CD1 C 26.216 0.3 1 626 101 101 LEU CD2 C 24.989 0.3 1 627 101 101 LEU N N 119.402 0.3 1 628 102 102 PHE H H 8.236 0.020 1 629 102 102 PHE HD1 H 7.005 0.020 1 630 102 102 PHE HD2 H 7.005 0.020 1 631 102 102 PHE C C 175.853 0.3 1 632 102 102 PHE CA C 53.282 0.3 1 633 102 102 PHE CB C 41.824 0.3 1 634 102 102 PHE N N 117.952 0.3 1 635 103 103 THR H H 7.917 0.020 1 636 103 103 THR C C 175.154 0.3 1 637 103 103 THR CA C 57.685 0.3 1 638 103 103 THR CB C 71.037 0.3 1 639 103 103 THR N N 106.853 0.3 1 640 104 104 ALA H H 8.930 0.020 1 641 104 104 ALA C C 175.947 0.3 1 642 104 104 ALA CA C 49.807 0.3 1 643 104 104 ALA CB C 22.428 0.3 1 644 104 104 ALA N N 122.348 0.3 1 645 105 105 LEU H H 8.316 0.020 1 646 105 105 LEU HD1 H 0.825 0.020 1 647 105 105 LEU HD2 H 0.973 0.020 1 648 105 105 LEU C C 179.628 0.3 1 649 105 105 LEU CA C 53.123 0.3 1 650 105 105 LEU CB C 41.334 0.3 1 651 105 105 LEU CD1 C 22.601 0.3 1 652 105 105 LEU CD2 C 25.331 0.3 1 653 105 105 LEU N N 119.855 0.3 1 654 106 106 ALA H H 8.306 0.020 1 655 106 106 ALA C C 181.056 0.3 1 656 106 106 ALA CA C 56.349 0.3 1 657 106 106 ALA CB C 17.315 0.3 1 658 106 106 ALA N N 123.662 0.3 1 659 107 107 GLU H H 9.754 0.020 1 660 107 107 GLU C C 177.854 0.3 1 661 107 107 GLU CA C 58.386 0.3 1 662 107 107 GLU CB C 27.844 0.3 1 663 107 107 GLU N N 114.825 0.3 1 664 108 108 GLU H H 7.859 0.020 1 665 108 108 GLU C C 178.001 0.3 1 666 108 108 GLU CA C 54.926 0.3 1 667 108 108 GLU CB C 30.001 0.3 1 668 108 108 GLU N N 115.097 0.3 1 669 109 109 LYS H H 7.660 0.020 1 670 109 109 LYS C C 172.691 0.3 1 671 109 109 LYS CA C 62.902 0.3 1 672 109 109 LYS CB C 30.541 0.3 1 673 109 109 LYS N N 118.360 0.3 1 674 111 111 TYR H H 6.583 0.020 1 675 111 111 TYR HB2 H 2.923 0.020 2 676 111 111 TYR HB3 H 3.158 0.020 2 677 111 111 TYR HD1 H 6.957 0.020 1 678 111 111 TYR HD2 H 6.957 0.020 1 679 111 111 TYR C C 179.764 0.3 1 680 111 111 TYR CA C 58.998 0.3 1 681 111 111 TYR CB C 35.956 0.3 1 682 111 111 TYR N N 114.054 0.3 1 683 112 112 ALA H H 8.753 0.020 1 684 112 112 ALA C C 179.430 0.3 1 685 112 112 ALA CA C 54.969 0.3 1 686 112 112 ALA CB C 18.812 0.3 1 687 112 112 ALA N N 124.749 0.3 1 688 113 113 ILE H H 8.946 0.020 1 689 113 113 ILE HD1 H 0.849 0.020 1 690 113 113 ILE C C 178.646 0.3 1 691 113 113 ILE CA C 66.401 0.3 1 692 113 113 ILE CB C 37.237 0.3 1 693 113 113 ILE CD1 C 14.273 0.3 1 694 113 113 ILE N N 119.130 0.3 1 695 114 114 PHE H H 7.940 0.020 1 696 114 114 PHE HD1 H 7.025 0.020 1 697 114 114 PHE HD2 H 7.025 0.020 1 698 114 114 PHE C C 177.954 0.3 1 699 114 114 PHE CA C 59.777 0.3 1 700 114 114 PHE CB C 39.064 0.3 1 701 114 114 PHE N N 121.758 0.3 1 702 115 115 HIS H H 7.767 0.020 1 703 115 115 HIS C C 176.161 0.3 1 704 115 115 HIS CA C 59.119 0.3 1 705 115 115 HIS CB C 31.067 0.3 1 706 115 115 HIS N N 116.547 0.3 1 707 116 116 PHE H H 8.989 0.020 1 708 116 116 PHE C C 177.282 0.3 1 709 116 116 PHE CA C 61.434 0.3 1 710 116 116 PHE CB C 37.255 0.3 1 711 116 116 PHE N N 109.387 0.3 1 712 117 117 THR H H 7.988 0.020 1 713 117 117 THR C C 172.889 0.3 1 714 117 117 THR CA C 66.997 0.3 1 715 117 117 THR CB C 67.948 0.3 1 716 117 117 THR N N 116.864 0.3 1 717 118 118 GLY H H 6.550 0.020 1 718 118 118 GLY C C 176.912 0.3 1 719 118 118 GLY CA C 44.182 0.3 1 720 118 118 GLY N N 103.320 0.3 1 721 120 120 VAL H H 8.408 0.020 1 722 120 120 VAL C C 176.283 0.3 1 723 120 120 VAL CA C 66.940 0.3 1 724 120 120 VAL CB C 29.852 0.3 1 725 120 120 VAL N N 120.671 0.3 1 726 121 121 SER H H 8.290 0.020 1 727 121 121 SER C C 175.658 0.3 1 728 121 121 SER CA C 60.814 0.3 1 729 121 121 SER CB C 60.253 0.3 1 730 121 121 SER N N 111.789 0.3 1 731 122 122 TYR H H 6.303 0.020 1 732 122 122 TYR C C 174.611 0.3 1 733 122 122 TYR CA C 58.546 0.3 1 734 122 122 TYR CB C 38.139 0.3 1 735 122 122 TYR N N 123.254 0.3 1 736 123 123 LEU H H 6.965 0.020 1 737 123 123 LEU HD1 H 0.200 0.020 1 738 123 123 LEU HD2 H 0.138 0.020 1 739 123 123 LEU C C 178.891 0.3 1 740 123 123 LEU CA C 56.779 0.3 1 741 123 123 LEU CB C 40.638 0.3 1 742 123 123 LEU CD1 C 26.064 0.3 1 743 123 123 LEU CD2 C 21.551 0.3 1 744 123 123 LEU N N 114.825 0.3 1 745 124 124 ILE H H 7.531 0.020 1 746 124 124 ILE HD1 H 0.190 0.020 1 747 124 124 ILE C C 177.187 0.3 1 748 124 124 ILE CA C 64.431 0.3 1 749 124 124 ILE CB C 36.555 0.3 1 750 124 124 ILE CD1 C 13.702 0.3 1 751 124 124 ILE N N 114.915 0.3 1 752 125 125 ARG H H 6.809 0.020 1 753 125 125 ARG C C 178.473 0.3 1 754 125 125 ARG CA C 58.459 0.3 1 755 125 125 ARG CB C 27.079 0.3 1 756 125 125 ARG N N 115.278 0.3 1 757 126 126 ILE H H 7.408 0.020 1 758 126 126 ILE HD1 H -0.361 0.020 1 759 126 126 ILE C C 178.172 0.3 1 760 126 126 ILE CA C 60.927 0.3 1 761 126 126 ILE CB C 34.466 0.3 1 762 126 126 ILE CD1 C 8.315 0.3 1 763 126 126 ILE N N 124.160 0.3 1 764 127 127 ARG H H 8.230 0.020 1 765 127 127 ARG C C 179.227 0.3 1 766 127 127 ARG CA C 60.216 0.3 1 767 127 127 ARG CB C 27.789 0.3 1 768 127 127 ARG N N 117.136 0.3 1 769 128 128 ALA H H 8.666 0.020 1 770 128 128 ALA C C 179.933 0.3 1 771 128 128 ALA CA C 54.706 0.3 1 772 128 128 ALA CB C 18.338 0.3 1 773 128 128 ALA N N 121.305 0.3 1 774 129 129 ALA H H 7.837 0.020 1 775 129 129 ALA C C 181.336 0.3 1 776 129 129 ALA CA C 54.708 0.3 1 777 129 129 ALA CB C 16.860 0.3 1 778 129 129 ALA N N 120.943 0.3 1 779 130 130 LEU H H 8.114 0.020 1 780 130 130 LEU HD1 H 0.932 0.020 1 781 130 130 LEU HD2 H 0.903 0.020 1 782 130 130 LEU C C 179.432 0.3 1 783 130 130 LEU CA C 57.176 0.3 1 784 130 130 LEU CB C 40.566 0.3 1 785 130 130 LEU CD1 C 29.376 0.3 1 786 130 130 LEU CD2 C 22.976 0.3 1 787 130 130 LEU N N 117.726 0.3 1 788 131 131 LYS H H 8.849 0.020 1 789 131 131 LYS C C 181.452 0.3 1 790 131 131 LYS CA C 58.886 0.3 1 791 131 131 LYS CB C 32.198 0.3 1 792 131 131 LYS N N 124.115 0.3 1 793 132 132 LYS H H 7.778 0.020 1 794 132 132 LYS C C 177.607 0.3 1 795 132 132 LYS CA C 57.952 0.3 1 796 132 132 LYS CB C 31.425 0.3 1 797 132 132 LYS N N 119.447 0.3 1 798 133 133 LYS H H 7.617 0.020 1 799 133 133 LYS C C 174.681 0.3 1 800 133 133 LYS CA C 55.078 0.3 1 801 133 133 LYS CB C 31.640 0.3 1 802 133 133 LYS N N 116.638 0.3 1 803 134 134 ASN H H 8.123 0.020 1 804 134 134 ASN C C 174.034 0.3 1 805 134 134 ASN CA C 54.615 0.3 1 806 134 134 ASN CB C 36.052 0.3 1 807 134 134 ASN N N 110.792 0.3 1 808 135 135 TYR H H 8.133 0.020 1 809 135 135 TYR HB2 H 2.721 0.020 2 810 135 135 TYR HB3 H 2.872 0.020 2 811 135 135 TYR HD1 H 7.052 0.020 1 812 135 135 TYR HD2 H 7.052 0.020 1 813 135 135 TYR C C 175.122 0.3 1 814 135 135 TYR CA C 56.752 0.3 1 815 135 135 TYR CB C 41.916 0.3 1 816 135 135 TYR N N 115.867 0.3 1 817 136 136 LYS H H 9.234 0.020 1 818 136 136 LYS C C 174.324 0.3 1 819 136 136 LYS CA C 55.181 0.3 1 820 136 136 LYS CB C 34.073 0.3 1 821 136 136 LYS N N 119.870 0.3 1 822 137 137 LEU H H 8.959 0.020 1 823 137 137 LEU HD1 H 1.299 0.020 1 824 137 137 LEU HD2 H 0.882 0.020 1 825 137 137 LEU C C 173.798 0.3 1 826 137 137 LEU CA C 52.834 0.3 1 827 137 137 LEU CB C 44.983 0.3 1 828 137 137 LEU CD1 C 23.156 0.3 1 829 137 137 LEU CD2 C 27.731 0.3 1 830 137 137 LEU N N 129.708 0.3 1 831 140 140 TYR H H 8.962 0.020 1 832 140 140 TYR HD1 H 6.986 0.020 1 833 140 140 TYR HD2 H 6.986 0.020 1 834 140 140 TYR C C 174.705 0.3 1 835 140 140 TYR CA C 56.452 0.3 1 836 140 140 TYR CB C 38.301 0.3 1 837 140 140 TYR N N 120.580 0.3 1 838 141 141 GLY H H 7.555 0.020 1 839 141 141 GLY C C 181.854 0.3 1 840 141 141 GLY CA C 44.122 0.3 1 841 141 141 GLY N N 104.986 0.3 1 842 142 142 LEU H H 7.794 0.020 1 843 142 142 LEU HD1 H 0.921 0.020 1 844 142 142 LEU HD2 H 0.590 0.020 1 845 142 142 LEU C C 174.067 0.3 1 846 142 142 LEU CA C 52.502 0.3 1 847 142 142 LEU CB C 44.542 0.3 1 848 142 142 LEU CD1 C 24.256 0.3 1 849 142 142 LEU CD2 C 25.950 0.3 1 850 142 142 LEU N N 118.269 0.3 1 851 143 143 PHE H H 9.522 0.020 1 852 143 143 PHE HB2 H 2.877 0.020 2 853 143 143 PHE HB3 H 2.972 0.020 2 854 143 143 PHE HD1 H 6.852 0.020 1 855 143 143 PHE HD2 H 6.852 0.020 1 856 143 143 PHE C C 175.199 0.3 1 857 143 143 PHE CA C 56.032 0.3 1 858 143 143 PHE CB C 42.070 0.3 1 859 143 143 PHE N N 122.076 0.3 1 860 144 144 LYS H H 9.076 0.020 1 861 144 144 LYS C C 176.917 0.3 1 862 144 144 LYS CA C 55.356 0.3 1 863 144 144 LYS CB C 33.679 0.3 1 864 144 144 LYS N N 121.305 0.3 1 865 145 145 ASN H H 9.618 0.020 1 866 145 145 ASN C C 175.070 0.3 1 867 145 145 ASN CA C 54.764 0.3 1 868 145 145 ASN CB C 36.430 0.3 1 869 145 145 ASN N N 126.834 0.3 1 870 146 146 GLN H H 9.140 0.020 1 871 146 146 GLN C C 175.198 0.3 1 872 146 146 GLN CA C 56.896 0.3 1 873 146 146 GLN CB C 26.368 0.3 1 874 146 146 GLN N N 110.112 0.3 1 875 147 147 THR H H 8.069 0.020 1 876 147 147 THR C C 173.224 0.3 1 877 147 147 THR CA C 61.450 0.3 1 878 147 147 THR CB C 70.285 0.3 1 879 147 147 THR N N 116.003 0.3 1 880 148 148 LEU H H 8.831 0.020 1 881 148 148 LEU HD1 H 0.396 0.020 1 882 148 148 LEU HD2 H 0.665 0.020 1 883 148 148 LEU C C 176.703 0.3 1 884 148 148 LEU CA C 55.466 0.3 1 885 148 148 LEU CB C 41.725 0.3 1 886 148 148 LEU CD1 C 23.727 0.3 1 887 148 148 LEU CD2 C 25.521 0.3 1 888 148 148 LEU N N 129.281 0.3 1 889 149 149 VAL H H 9.243 0.020 1 890 149 149 VAL HG1 H 0.890 0.020 1 891 149 149 VAL HG2 H 1.015 0.020 1 892 149 149 VAL C C 175.012 0.3 1 893 149 149 VAL CA C 59.269 0.3 1 894 149 149 VAL CB C 31.456 0.3 1 895 149 149 VAL CG1 C 20.539 0.3 1 896 149 149 VAL CG2 C 21.665 0.3 1 897 149 149 VAL N N 130.189 0.3 1 898 151 151 LEU H H 8.080 0.020 1 899 151 151 LEU HD1 H 0.860 0.020 1 900 151 151 LEU HD2 H 0.762 0.020 1 901 151 151 LEU C C 177.679 0.3 1 902 151 151 LEU CA C 53.997 0.3 1 903 151 151 LEU CB C 43.619 0.3 1 904 151 151 LEU CD1 C 25.336 0.3 1 905 151 151 LEU CD2 C 22.802 0.3 1 906 151 151 LEU N N 123.481 0.3 1 907 152 152 LYS H H 9.112 0.020 1 908 152 152 LYS C C 175.115 0.3 1 909 152 152 LYS CA C 54.596 0.3 1 910 152 152 LYS CB C 29.065 0.3 1 911 152 152 LYS N N 126.381 0.3 1 912 153 153 ILE H H 7.304 0.020 1 913 153 153 ILE HD1 H 0.489 0.020 1 914 153 153 ILE C C 175.748 0.3 1 915 153 153 ILE CA C 58.389 0.3 1 916 153 153 ILE CB C 41.803 0.3 1 917 153 153 ILE CD1 C 15.067 0.3 1 918 153 153 ILE N N 113.737 0.3 1 919 154 154 THR H H 9.382 0.020 1 920 154 154 THR C C 174.864 0.3 1 921 154 154 THR CA C 62.141 0.3 1 922 154 154 THR CB C 70.413 0.3 1 923 154 154 THR N N 110.656 0.3 1 924 155 155 THR H H 7.746 0.020 1 925 155 155 THR C C 174.718 0.3 1 926 155 155 THR CA C 58.785 0.3 1 927 155 155 THR CB C 72.277 0.3 1 928 155 155 THR N N 110.746 0.3 1 929 156 156 GLU H H 9.490 0.020 1 930 156 156 GLU C C 177.289 0.3 1 931 156 156 GLU CA C 58.824 0.3 1 932 156 156 GLU CB C 28.381 0.3 1 933 156 156 GLU N N 122.302 0.3 1 934 157 157 LYS H H 8.329 0.020 1 935 157 157 LYS C C 178.241 0.3 1 936 157 157 LYS CA C 59.765 0.3 1 937 157 157 LYS CB C 31.278 0.3 1 938 157 157 LYS N N 118.905 0.3 1 939 158 158 GLU H H 7.611 0.020 1 940 158 158 GLU C C 178.988 0.3 1 941 158 158 GLU CA C 58.256 0.3 1 942 158 158 GLU CB C 29.058 0.3 1 943 158 158 GLU N N 116.230 0.3 1 944 159 159 LEU H H 7.704 0.020 1 945 159 159 LEU HD1 H 0.591 0.020 1 946 159 159 LEU HD2 H 0.259 0.020 1 947 159 159 LEU C C 176.347 0.3 1 948 159 159 LEU CA C 53.239 0.3 1 949 159 159 LEU CB C 39.543 0.3 1 950 159 159 LEU CD1 C 23.063 0.3 1 951 159 159 LEU CD2 C 26.119 0.3 1 952 159 159 LEU N N 118.978 0.3 1 953 160 160 ILE H H 7.886 0.020 1 954 160 160 ILE HD1 H 0.824 0.020 1 955 160 160 ILE C C 177.219 0.3 1 956 160 160 ILE CA C 65.615 0.3 1 957 160 160 ILE CB C 37.557 0.3 1 958 160 160 ILE CD1 C 14.136 0.3 1 959 160 160 ILE N N 117.227 0.3 1 960 161 161 LYS H H 7.536 0.020 1 961 161 161 LYS C C 180.990 0.3 1 962 161 161 LYS CA C 58.631 0.3 1 963 161 161 LYS CB C 30.748 0.3 1 964 161 161 LYS N N 115.912 0.3 1 965 162 162 GLU H H 8.392 0.020 1 966 162 162 GLU C C 178.793 0.3 1 967 162 162 GLU CA C 57.982 0.3 1 968 162 162 GLU CB C 27.792 0.3 1 969 162 162 GLU N N 120.852 0.3 1 970 163 163 LEU H H 8.031 0.020 1 971 163 163 LEU HD1 H 0.655 0.020 1 972 163 163 LEU HD2 H 0.707 0.020 1 973 163 163 LEU C C 176.370 0.3 1 974 163 163 LEU CA C 55.094 0.3 1 975 163 163 LEU CB C 41.174 0.3 1 976 163 163 LEU CD1 C 26.037 0.3 1 977 163 163 LEU CD2 C 22.628 0.3 1 978 163 163 LEU N N 115.912 0.3 1 979 164 164 GLY H H 7.625 0.020 1 980 164 164 GLY C C 174.240 0.3 1 981 164 164 GLY CA C 44.302 0.3 1 982 164 164 GLY N N 103.160 0.3 1 983 165 165 PHE H H 7.283 0.020 1 984 165 165 PHE C C 174.556 0.3 1 985 165 165 PHE CA C 55.465 0.3 1 986 165 165 PHE CB C 40.762 0.3 1 987 165 165 PHE N N 117.952 0.3 1 988 166 166 THR H H 9.678 0.020 1 989 166 166 THR C C 175.306 0.3 1 990 166 166 THR CA C 63.466 0.3 1 991 166 166 THR CB C 68.721 0.3 1 992 166 166 THR N N 118.178 0.3 1 993 167 167 TYR H H 9.264 0.020 1 994 167 167 TYR HB2 H 2.811 0.020 2 995 167 167 TYR HB3 H 2.955 0.020 2 996 167 167 TYR HD1 H 6.904 0.020 1 997 167 167 TYR HD2 H 6.904 0.020 1 998 167 167 TYR C C 173.297 0.3 1 999 167 167 TYR CA C 60.412 0.3 1 1000 167 167 TYR CB C 36.722 0.3 1 1001 167 167 TYR N N 128.239 0.3 1 1002 168 168 ARG H H 7.030 0.020 1 1003 168 168 ARG C C 175.297 0.3 1 1004 168 168 ARG CA C 52.765 0.3 1 1005 168 168 ARG CB C 31.326 0.3 1 1006 168 168 ARG N N 126.789 0.3 1 1007 169 169 ILE H H 8.349 0.020 1 1008 169 169 ILE HD1 H 0.831 0.020 1 1009 169 169 ILE C C 174.522 0.3 1 1010 169 169 ILE CA C 60.279 0.3 1 1011 169 169 ILE CB C 34.647 0.3 1 1012 169 169 ILE CD1 C 13.953 0.3 1 1013 169 169 ILE N N 119.221 0.3 1 1014 171 171 LYS H H 8.198 0.020 1 1015 171 171 LYS C C 176.638 0.3 1 1016 171 171 LYS CA C 57.538 0.3 1 1017 171 171 LYS CB C 31.967 0.3 1 1018 171 171 LYS N N 111.335 0.3 1 1019 172 172 LYS H H 7.843 0.020 1 1020 172 172 LYS C C 175.331 0.3 1 1021 172 172 LYS CA C 54.001 0.3 1 1022 172 172 LYS CB C 31.818 0.3 1 1023 172 172 LYS N N 116.411 0.3 1 1024 173 173 ARG H H 6.917 0.020 1 1025 173 173 ARG C C 172.830 0.3 1 1026 173 173 ARG CA C 57.175 0.3 1 1027 173 173 ARG CB C 28.829 0.3 1 1028 173 173 ARG N N 120.490 0.3 1 1029 174 174 LEU H H 7.024 0.020 1 1030 174 174 LEU HD2 H 0.763 0.020 1 1031 174 174 LEU C C 181.020 0.3 1 1032 174 174 LEU CA C 56.995 0.3 1 1033 174 174 LEU CB C 44.282 0.3 1 1034 174 174 LEU CD1 C 24.680 0.3 1 1035 174 174 LEU CD2 C 24.555 0.3 1 1036 174 174 LEU N N 127.831 0.3 1 stop_ save_