data_18666 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human dUTPase ; _BMRB_accession_number 18666 _BMRB_flat_file_name bmr18666.str _Entry_type original _Submission_date 2012-08-16 _Accession_date 2012-08-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shift assignments for human dUTPase in complex with dUPNPP' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Isaksson Johan . . 2 Woestenenk Esmeralda . . 3 Sahlberg Christer . . 4 Agback Tatiana . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 119 "13C chemical shifts" 345 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-13 update BMRB 'update entry citation' 2013-02-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18665 'dUTPase homotrimer (apo form)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone nuclear magnetic resonance assignment of human deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23307478 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Isaksson Johan . . 2 Woestenenk Esmeralda . . 3 Sahlberg Christer . . 4 Agback Tatiana . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 81 _Page_last 84 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'dUTPase homotrimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'dUTPase, monomer 1' $dUTPase 'dUTPase, monomer 2' $dUTPase 'dUTPase, monomer 3' $dUTPase dUPNPP $entity_DUP 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_dUTPase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dUTPase _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MHHHHHHMQLRFARLSEHAT APTRGSARAAGYDLYSAYDY TIPPMEKAVVKTDIQIALPS GCYGRVAPRSGLAAKHFIDV GAGVIDEDYRGNVGVVLFNF GKEKFEVKKGDRIAQLICER IFYPEIEEVQALDDTERGSG GFGSTGKN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 17 MET 2 18 HIS 3 19 HIS 4 20 HIS 5 21 HIS 6 22 HIS 7 23 HIS 8 24 MET 9 25 GLN 10 26 LEU 11 27 ARG 12 28 PHE 13 29 ALA 14 30 ARG 15 31 LEU 16 32 SER 17 33 GLU 18 34 HIS 19 35 ALA 20 36 THR 21 37 ALA 22 38 PRO 23 39 THR 24 40 ARG 25 41 GLY 26 42 SER 27 43 ALA 28 44 ARG 29 45 ALA 30 46 ALA 31 47 GLY 32 48 TYR 33 49 ASP 34 50 LEU 35 51 TYR 36 52 SER 37 53 ALA 38 54 TYR 39 55 ASP 40 56 TYR 41 57 THR 42 58 ILE 43 59 PRO 44 60 PRO 45 61 MET 46 62 GLU 47 63 LYS 48 64 ALA 49 65 VAL 50 66 VAL 51 67 LYS 52 68 THR 53 69 ASP 54 70 ILE 55 71 GLN 56 72 ILE 57 73 ALA 58 74 LEU 59 75 PRO 60 76 SER 61 77 GLY 62 78 CYS 63 79 TYR 64 80 GLY 65 81 ARG 66 82 VAL 67 83 ALA 68 84 PRO 69 85 ARG 70 86 SER 71 87 GLY 72 88 LEU 73 89 ALA 74 90 ALA 75 91 LYS 76 92 HIS 77 93 PHE 78 94 ILE 79 95 ASP 80 96 VAL 81 97 GLY 82 98 ALA 83 99 GLY 84 100 VAL 85 101 ILE 86 102 ASP 87 103 GLU 88 104 ASP 89 105 TYR 90 106 ARG 91 107 GLY 92 108 ASN 93 109 VAL 94 110 GLY 95 111 VAL 96 112 VAL 97 113 LEU 98 114 PHE 99 115 ASN 100 116 PHE 101 117 GLY 102 118 LYS 103 119 GLU 104 120 LYS 105 121 PHE 106 122 GLU 107 123 VAL 108 124 LYS 109 125 LYS 110 126 GLY 111 127 ASP 112 128 ARG 113 129 ILE 114 130 ALA 115 131 GLN 116 132 LEU 117 133 ILE 118 134 CYS 119 135 GLU 120 136 ARG 121 137 ILE 122 138 PHE 123 139 TYR 124 140 PRO 125 141 GLU 126 142 ILE 127 143 GLU 128 144 GLU 129 145 VAL 130 146 GLN 131 147 ALA 132 148 LEU 133 149 ASP 134 150 ASP 135 151 THR 136 152 GLU 137 153 ARG 138 154 GLY 139 155 SER 140 156 GLY 141 157 GLY 142 158 PHE 143 159 GLY 144 160 SER 145 161 THR 146 162 GLY 147 163 LYS 148 164 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 18665 dUTPase 100.00 148 100.00 100.00 3.15e-104 PDB 1Q5H "Human Dutp Pyrophosphatase Complex With Dudp" 99.32 147 100.00 100.00 2.99e-103 PDB 1Q5U "Human Dutp Pyrophosphatase" 99.32 147 100.00 100.00 2.99e-103 PDB 2HQU "Human Dutpase In Complex With Alpha,Beta-Iminodutp And Magnesium Ion" 95.27 164 100.00 100.00 1.31e-97 PDB 3ARA "Discovery Of Novel Uracil Derivatives As Potent Human Dutpase Inhibitors" 95.27 164 100.00 100.00 1.31e-97 PDB 3ARN "Human Dutpase In Complex With Novel Uracil Derivative" 95.27 164 100.00 100.00 1.31e-97 PDB 3EHW "Human Dutpase In Complex With Alpha,Beta-Imido-Dutp And Mg2+: Visualization Of The Full-Length C-Termini In All Monomers And Su" 95.27 164 100.00 100.00 1.31e-97 DBJ BAB13724 "dUTP pyrophosphatase [Homo sapiens]" 95.27 164 100.00 100.00 1.31e-97 DBJ BAE87930 "unnamed protein product [Macaca fascicularis]" 95.27 164 97.87 100.00 1.17e-95 DBJ BAE90113 "unnamed protein product [Macaca fascicularis]" 95.27 192 97.87 100.00 4.47e-95 DBJ BAE90827 "unnamed protein product [Macaca fascicularis]" 95.27 141 97.87 100.00 5.97e-96 DBJ BAF84204 "unnamed protein product [Homo sapiens]" 95.27 164 99.29 99.29 7.21e-97 EMBL CAG46521 "DUT [Homo sapiens]" 95.27 164 100.00 100.00 1.31e-97 EMBL CAG46580 "DUT [Homo sapiens]" 95.27 164 100.00 100.00 1.31e-97 GB AAA36801 "dUTP nucleotidohydrolase [Homo sapiens]" 95.27 141 100.00 100.00 9.93e-98 GB AAA58444 "dUTP pyrophosphatase [Homo sapiens]" 95.27 141 100.00 100.00 9.93e-98 GB AAB71393 "dUTPase [Homo sapiens]" 95.27 252 100.00 100.00 5.58e-97 GB AAB71394 "dUTPase [Homo sapiens]" 95.27 164 100.00 100.00 1.31e-97 GB AAB94642 "deoxyuridine triphosphate nucleotidohydrolase precursor [Homo sapiens]" 95.27 252 100.00 100.00 5.58e-97 PRF 2211321A "dehydrouridine triphosphate nucleotidohydrolase" 95.27 164 100.00 100.00 1.31e-97 REF NP_001020419 "deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1 precursor [Homo sapiens]" 95.27 252 100.00 100.00 6.87e-97 REF NP_001020420 "deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 3 [Homo sapiens]" 95.27 141 100.00 100.00 9.93e-98 REF NP_001939 "deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 2 [Homo sapiens]" 95.27 164 100.00 100.00 1.31e-97 REF XP_001084330 "PREDICTED: deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial-like [Macaca mulatta]" 95.27 164 97.16 98.58 7.98e-94 REF XP_001105874 "PREDICTED: deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial-like [Macaca mulatta]" 70.27 104 99.04 100.00 1.57e-67 SP P33316 "RecName: Full=Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial; Short=dUTPase; AltName: Full=dUTP pyrophosphatas" 95.27 252 100.00 100.00 6.87e-97 stop_ save_ ############# # Ligands # ############# save_DUP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_DUP (2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE)" _BMRB_code DUP _PDB_code DUP _Molecular_mass 467.157 _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 O4 O4 O . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N3 N3 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N1 N1 N . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? O4' O4' O . 0 . ? C4' C4' C . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? N3A N3A N . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PG PG P . 0 . ? O2G O2G O . 0 . ? O1G O1G O . 0 . ? O3G O3G O . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? HN3 HN3 H . 0 . ? H1' H1' H . 0 . ? H2'1 H2'1 H . 0 . ? H2'2 H2'2 H . 0 . ? H1 H1 H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H2A H2A H . 0 . ? H3A H3A H . 0 . ? H2B H2B H . 0 . ? H1G H1G H . 0 . ? H3G H3G H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB O4 C4 ? ? SING C4 C5 ? ? SING C4 N3 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 N1 ? ? SING C6 H6 ? ? SING N3 C2 ? ? SING N3 HN3 ? ? DOUB C2 O2 ? ? SING C2 N1 ? ? SING N1 C1' ? ? SING C1' C2' ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING C2' C3' ? ? SING C2' H2'1 ? ? SING C2' H2'2 ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H1 ? ? SING O3' H3' ? ? SING O4' C4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA N3A ? ? SING O2A H2A ? ? SING N3A PB ? ? SING N3A H3A ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING O2B H2B ? ? SING O3B PG ? ? DOUB PG O2G ? ? SING PG O1G ? ? SING PG O3G ? ? SING O1G H1G ? ? SING O3G H3G ? ? 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 $dUTPase Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $dUTPase 'recombinant technology' . Escherichia coli . pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Apo form' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dUTPase 1 mM '[U-15N; U-13C; U-50% 2H]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM [U-2H] D2O 10 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Complex with dUPNPP' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dUTPase 1 mM '[U-15N; U-13C; U-50% 2H]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM [U-2H] D2O 10 % [U-2H] $entity_DUP 1.2 mM 'natural abundance' 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 processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details 'HCN inverse cold probe' 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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 60 . mM pH 7 . pH pressure 1 . atm temperature 298 . 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 water C 13 protons ppm 4.79 internal indirect . . . 0.25149145 water H 1 protons ppm 4.79 internal direct . . . 1 water N 15 protons ppm 4.79 internal indirect . . . 0.10134040 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_Complex_with_dUPNPP _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'dUTPase, monomer 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 25 9 GLN H H 8.081 0.05 1 2 25 9 GLN C C 174.215 0.05 1 3 25 9 GLN CA C 54.222 0.05 1 4 25 9 GLN CB C 30.131 0.05 1 5 25 9 GLN N N 122.527 0.05 1 6 26 10 LEU H H 8.439 0.05 1 7 26 10 LEU C C 174.406 0.05 1 8 26 10 LEU CA C 53.481 0.05 1 9 26 10 LEU CB C 42.183 0.05 1 10 26 10 LEU N N 128.369 0.05 1 11 27 11 ARG H H 7.270 0.05 1 12 27 11 ARG C C 174.965 0.05 1 13 27 11 ARG CA C 53.828 0.05 1 14 27 11 ARG CB C 31.532 0.05 1 15 27 11 ARG N N 127.335 0.05 1 16 28 12 PHE H H 8.367 0.05 1 17 28 12 PHE C C 170.375 0.05 1 18 28 12 PHE CA C 54.548 0.05 1 19 28 12 PHE CB C 42.462 0.05 1 20 28 12 PHE N N 120.724 0.05 1 21 29 13 ALA H H 8.573 0.05 1 22 29 13 ALA C C 176.841 0.05 1 23 29 13 ALA CA C 49.376 0.05 1 24 29 13 ALA CB C 21.603 0.05 1 25 29 13 ALA N N 123.523 0.05 1 26 30 14 ARG H H 8.726 0.05 1 27 30 14 ARG C C 177.035 0.05 1 28 30 14 ARG CA C 55.426 0.05 1 29 30 14 ARG CB C 29.653 0.05 1 30 30 14 ARG N N 121.685 0.05 1 31 31 15 LEU H H 9.048 0.05 1 32 31 15 LEU C C 176.405 0.05 1 33 31 15 LEU CA C 53.901 0.05 1 34 31 15 LEU CB C 40.561 0.05 1 35 31 15 LEU N N 124.015 0.05 1 36 32 16 SER H H 7.556 0.05 1 37 32 16 SER C C 174.082 0.05 1 38 32 16 SER CA C 56.966 0.05 1 39 32 16 SER CB C 65.245 0.05 1 40 32 16 SER N N 114.313 0.05 1 41 33 17 GLU H H 9.079 0.05 1 42 33 17 GLU C C 175.871 0.05 1 43 33 17 GLU CA C 56.106 0.05 1 44 33 17 GLU CB C 27.558 0.05 1 45 33 17 GLU N N 119.379 0.05 1 46 34 18 HIS H H 8.064 0.05 1 47 34 18 HIS C C 174.717 0.05 1 48 34 18 HIS CA C 55.338 0.05 1 49 34 18 HIS CB C 30.145 0.05 1 50 34 18 HIS N N 121.836 0.05 1 51 35 19 ALA H H 6.447 0.05 1 52 35 19 ALA C C 176.942 0.05 1 53 35 19 ALA CA C 51.332 0.05 1 54 35 19 ALA CB C 20.262 0.05 1 55 35 19 ALA N N 122.460 0.05 1 56 36 20 THR H H 8.457 0.05 1 57 36 20 THR C C 171.995 0.05 1 58 36 20 THR CA C 61.270 0.05 1 59 36 20 THR CB C 69.627 0.05 1 60 36 20 THR N N 121.571 0.05 1 61 37 21 ALA H H 7.653 0.05 1 62 37 21 ALA C C 173.993 0.05 1 63 37 21 ALA CA C 49.667 0.05 1 64 37 21 ALA CB C 17.692 0.05 1 65 37 21 ALA N N 129.692 0.05 1 66 39 23 THR H H 7.130 0.05 1 67 39 23 THR C C 173.023 0.05 1 68 39 23 THR CA C 58.399 0.05 1 69 39 23 THR CB C 71.844 0.05 1 70 39 23 THR N N 109.885 0.05 1 71 40 24 ARG H H 8.537 0.05 1 72 40 24 ARG C C 177.935 0.05 1 73 40 24 ARG CA C 54.978 0.05 1 74 40 24 ARG CB C 31.090 0.05 1 75 40 24 ARG N N 124.062 0.05 1 76 41 25 GLY H H 9.012 0.05 1 77 41 25 GLY C C 173.015 0.05 1 78 41 25 GLY CA C 45.271 0.05 1 79 41 25 GLY N N 114.318 0.05 1 80 42 26 SER H H 7.034 0.05 1 81 42 26 SER C C 174.693 0.05 1 82 42 26 SER CA C 56.566 0.05 1 83 42 26 SER CB C 62.994 0.05 1 84 42 26 SER N N 114.012 0.05 1 85 43 27 ALA H H 8.475 0.05 1 86 43 27 ALA C C 178.435 0.05 1 87 43 27 ALA CA C 54.408 0.05 1 88 43 27 ALA CB C 17.774 0.05 1 89 43 27 ALA N N 124.745 0.05 1 90 44 28 ARG H H 7.586 0.05 1 91 44 28 ARG C C 173.437 0.05 1 92 44 28 ARG CA C 52.221 0.05 1 93 44 28 ARG CB C 28.257 0.05 1 94 44 28 ARG N N 116.417 0.05 1 95 45 29 ALA H H 6.432 0.05 1 96 45 29 ALA C C 177.387 0.05 1 97 45 29 ALA CA C 51.548 0.05 1 98 45 29 ALA CB C 17.136 0.05 1 99 45 29 ALA N N 125.265 0.05 1 100 46 30 ALA H H 9.267 0.05 1 101 46 30 ALA C C 177.628 0.05 1 102 46 30 ALA CA C 53.726 0.05 1 103 46 30 ALA CB C 17.897 0.05 1 104 46 30 ALA N N 128.904 0.05 1 105 47 31 GLY H H 7.992 0.05 1 106 47 31 GLY C C 173.778 0.05 1 107 47 31 GLY CA C 43.345 0.05 1 108 47 31 GLY N N 103.327 0.05 1 109 48 32 TYR H H 8.421 0.05 1 110 48 32 TYR C C 176.119 0.05 1 111 48 32 TYR CA C 57.015 0.05 1 112 48 32 TYR N N 122.331 0.05 1 113 49 33 ASP H H 9.382 0.05 1 114 49 33 ASP C C 173.621 0.05 1 115 49 33 ASP CA C 55.049 0.05 1 116 49 33 ASP CB C 39.716 0.05 1 117 49 33 ASP N N 127.507 0.05 1 118 50 34 LEU H H 7.585 0.05 1 119 50 34 LEU C C 175.780 0.05 1 120 50 34 LEU CA C 51.850 0.05 1 121 50 34 LEU CB C 43.032 0.05 1 122 50 34 LEU N N 119.103 0.05 1 123 51 35 TYR H H 8.578 0.05 1 124 51 35 TYR C C 177.371 0.05 1 125 51 35 TYR CA C 54.984 0.05 1 126 51 35 TYR CB C 39.343 0.05 1 127 51 35 TYR N N 121.138 0.05 1 128 52 36 SER H H 8.379 0.05 1 129 52 36 SER C C 177.953 0.05 1 130 52 36 SER CA C 58.164 0.05 1 131 52 36 SER CB C 62.210 0.05 1 132 52 36 SER N N 115.635 0.05 1 133 53 37 ALA H H 8.433 0.05 1 134 53 37 ALA C C 172.873 0.05 1 135 53 37 ALA CA C 52.224 0.05 1 136 53 37 ALA CB C 18.696 0.05 1 137 53 37 ALA N N 134.761 0.05 1 138 54 38 TYR H H 7.235 0.05 1 139 54 38 TYR C C 173.091 0.05 1 140 54 38 TYR CA C 55.818 0.05 1 141 54 38 TYR CB C 41.687 0.05 1 142 54 38 TYR N N 112.744 0.05 1 143 55 39 ASP H H 7.753 0.05 1 144 55 39 ASP C C 175.999 0.05 1 145 55 39 ASP CA C 52.393 0.05 1 146 55 39 ASP CB C 40.114 0.05 1 147 55 39 ASP N N 122.894 0.05 1 148 56 40 TYR H H 9.037 0.05 1 149 56 40 TYR C C 174.520 0.05 1 150 56 40 TYR CA C 57.186 0.05 1 151 56 40 TYR CB C 42.036 0.05 1 152 56 40 TYR N N 120.790 0.05 1 153 57 41 THR H H 8.482 0.05 1 154 57 41 THR C C 173.652 0.05 1 155 57 41 THR CA C 61.433 0.05 1 156 57 41 THR CB C 69.044 0.05 1 157 57 41 THR N N 121.884 0.05 1 158 58 42 ILE H H 9.066 0.05 1 159 58 42 ILE C C 174.314 0.05 1 160 58 42 ILE CA C 58.149 0.05 1 161 58 42 ILE CB C 37.909 0.05 1 162 58 42 ILE N N 130.604 0.05 1 163 61 45 MET H H 7.778 0.05 1 164 61 45 MET C C 174.405 0.05 1 165 61 45 MET CA C 53.545 0.05 1 166 61 45 MET CB C 26.717 0.05 1 167 61 45 MET N N 122.727 0.05 1 168 62 46 GLU H H 7.266 0.05 1 169 62 46 GLU C C 172.660 0.05 1 170 62 46 GLU CA C 54.116 0.05 1 171 62 46 GLU CB C 32.822 0.05 1 172 62 46 GLU N N 120.735 0.05 1 173 63 47 LYS H H 7.965 0.05 1 174 63 47 LYS C C 175.444 0.05 1 175 63 47 LYS CA C 51.783 0.05 1 176 63 47 LYS CB C 35.542 0.05 1 177 63 47 LYS N N 117.203 0.05 1 178 64 48 ALA H H 8.418 0.05 1 179 64 48 ALA C C 174.548 0.05 1 180 64 48 ALA CA C 50.924 0.05 1 181 64 48 ALA CB C 21.229 0.05 1 182 64 48 ALA N N 122.956 0.05 1 183 65 49 VAL H H 7.734 0.05 1 184 65 49 VAL C C 174.376 0.05 1 185 65 49 VAL CA C 61.241 0.05 1 186 65 49 VAL CB C 29.472 0.05 1 187 65 49 VAL N N 121.972 0.05 1 188 66 50 VAL H H 9.097 0.05 1 189 66 50 VAL C C 175.854 0.05 1 190 66 50 VAL CA C 60.365 0.05 1 191 66 50 VAL CB C 31.135 0.05 1 192 66 50 VAL N N 132.104 0.05 1 193 67 51 LYS H H 8.040 0.05 1 194 67 51 LYS C C 176.123 0.05 1 195 67 51 LYS CA C 56.349 0.05 1 196 67 51 LYS CB C 31.583 0.05 1 197 67 51 LYS N N 128.257 0.05 1 198 68 52 THR H H 7.215 0.05 1 199 68 52 THR C C 176.083 0.05 1 200 68 52 THR CA C 61.446 0.05 1 201 68 52 THR CB C 69.149 0.05 1 202 68 52 THR N N 111.220 0.05 1 203 69 53 ASP H H 8.902 0.05 1 204 69 53 ASP C C 173.337 0.05 1 205 69 53 ASP CA C 54.751 0.05 1 206 69 53 ASP CB C 36.223 0.05 1 207 69 53 ASP N N 122.473 0.05 1 208 70 54 ILE H H 7.559 0.05 1 209 70 54 ILE C C 173.401 0.05 1 210 70 54 ILE CA C 58.753 0.05 1 211 70 54 ILE CB C 39.496 0.05 1 212 70 54 ILE N N 113.394 0.05 1 213 71 55 GLN H H 8.183 0.05 1 214 71 55 GLN C C 174.691 0.05 1 215 71 55 GLN CA C 51.810 0.05 1 216 71 55 GLN CB C 29.897 0.05 1 217 71 55 GLN N N 120.141 0.05 1 218 72 56 ILE H H 9.832 0.05 1 219 72 56 ILE C C 173.268 0.05 1 220 72 56 ILE CA C 58.611 0.05 1 221 72 56 ILE CB C 41.583 0.05 1 222 72 56 ILE N N 120.403 0.05 1 223 73 57 ALA H H 8.290 0.05 1 224 73 57 ALA C C 176.733 0.05 1 225 73 57 ALA CA C 49.789 0.05 1 226 73 57 ALA CB C 19.069 0.05 1 227 73 57 ALA N N 124.208 0.05 1 228 74 58 LEU H H 7.907 0.05 1 229 74 58 LEU C C 174.402 0.05 1 230 74 58 LEU CA C 53.132 0.05 1 231 74 58 LEU CB C 40.834 0.05 1 232 74 58 LEU N N 129.179 0.05 1 233 76 60 SER H H 7.527 0.05 1 234 76 60 SER C C 176.304 0.05 1 235 76 60 SER CA C 58.551 0.05 1 236 76 60 SER CB C 62.772 0.05 1 237 76 60 SER N N 115.219 0.05 1 238 77 61 GLY H H 9.083 0.05 1 239 77 61 GLY C C 173.709 0.05 1 240 77 61 GLY CA C 44.705 0.05 1 241 77 61 GLY N N 114.581 0.05 1 242 78 62 CYS H H 7.872 0.05 1 243 78 62 CYS C C 171.371 0.05 1 244 78 62 CYS CA C 55.580 0.05 1 245 78 62 CYS CB C 31.293 0.05 1 246 78 62 CYS N N 118.893 0.05 1 247 79 63 TYR H H 8.098 0.05 1 248 79 63 TYR C C 172.067 0.05 1 249 79 63 TYR CA C 55.138 0.05 1 250 79 63 TYR CB C 39.409 0.05 1 251 79 63 TYR N N 117.504 0.05 1 252 80 64 GLY H H 8.774 0.05 1 253 80 64 GLY C C 169.782 0.05 1 254 80 64 GLY CA C 43.731 0.05 1 255 80 64 GLY N N 110.654 0.05 1 256 81 65 ARG H H 9.249 0.05 1 257 81 65 ARG C C 176.527 0.05 1 258 81 65 ARG CA C 53.463 0.05 1 259 81 65 ARG CB C 32.884 0.05 1 260 81 65 ARG N N 130.234 0.05 1 261 82 66 VAL H H 9.380 0.05 1 262 82 66 VAL C C 173.646 0.05 1 263 82 66 VAL CA C 61.387 0.05 1 264 82 66 VAL CB C 28.991 0.05 1 265 82 66 VAL N N 131.603 0.05 1 266 83 67 ALA H H 9.294 0.05 1 267 83 67 ALA C C 174.021 0.05 1 268 83 67 ALA CA C 47.709 0.05 1 269 83 67 ALA CB C 20.097 0.05 1 270 83 67 ALA N N 133.278 0.05 1 271 88 72 LEU H H 7.365 0.05 1 272 88 72 LEU C C 179.863 0.05 1 273 88 72 LEU CA C 57.012 0.05 1 274 88 72 LEU CB C 40.312 0.05 1 275 88 72 LEU N N 121.234 0.05 1 276 89 73 ALA H H 7.006 0.05 1 277 89 73 ALA C C 178.185 0.05 1 278 89 73 ALA CA C 54.565 0.05 1 279 89 73 ALA CB C 19.083 0.05 1 280 89 73 ALA N N 122.946 0.05 1 281 90 74 ALA H H 8.067 0.05 1 282 90 74 ALA C C 178.833 0.05 1 283 90 74 ALA CA C 54.064 0.05 1 284 90 74 ALA CB C 17.817 0.05 1 285 90 74 ALA N N 118.863 0.05 1 286 91 75 LYS H H 8.238 0.05 1 287 91 75 LYS C C 178.308 0.05 1 288 91 75 LYS CA C 57.051 0.05 1 289 91 75 LYS CB C 31.619 0.05 1 290 91 75 LYS N N 115.343 0.05 1 291 92 76 HIS H H 6.708 0.05 1 292 92 76 HIS C C 173.412 0.05 1 293 92 76 HIS CA C 54.691 0.05 1 294 92 76 HIS CB C 30.745 0.05 1 295 92 76 HIS N N 115.668 0.05 1 296 93 77 PHE H H 7.647 0.05 1 297 93 77 PHE C C 173.219 0.05 1 298 93 77 PHE CA C 55.599 0.05 1 299 93 77 PHE CB C 37.341 0.05 1 300 93 77 PHE N N 124.726 0.05 1 301 94 78 ILE H H 6.906 0.05 1 302 94 78 ILE C C 176.459 0.05 1 303 94 78 ILE CA C 56.436 0.05 1 304 94 78 ILE CB C 34.722 0.05 1 305 94 78 ILE N N 118.210 0.05 1 306 95 79 ASP H H 8.902 0.05 1 307 95 79 ASP C C 172.920 0.05 1 308 95 79 ASP CA C 50.777 0.05 1 309 95 79 ASP CB C 45.771 0.05 1 310 95 79 ASP N N 129.437 0.05 1 311 96 80 VAL H H 7.558 0.05 1 312 96 80 VAL C C 176.706 0.05 1 313 96 80 VAL CA C 59.636 0.05 1 314 96 80 VAL CB C 33.331 0.05 1 315 96 80 VAL N N 122.167 0.05 1 316 97 81 GLY H H 8.089 0.05 1 317 97 81 GLY C C 171.533 0.05 1 318 97 81 GLY CA C 43.130 0.05 1 319 97 81 GLY N N 117.288 0.05 1 320 98 82 ALA H H 8.640 0.05 1 321 98 82 ALA C C 177.591 0.05 1 322 98 82 ALA CA C 53.183 0.05 1 323 98 82 ALA CB C 17.234 0.05 1 324 98 82 ALA N N 119.942 0.05 1 325 99 83 GLY H H 8.390 0.05 1 326 99 83 GLY C C 172.407 0.05 1 327 99 83 GLY CA C 45.645 0.05 1 328 99 83 GLY N N 113.138 0.05 1 329 100 84 VAL H H 7.690 0.05 1 330 100 84 VAL C C 177.627 0.05 1 331 100 84 VAL CA C 62.244 0.05 1 332 100 84 VAL CB C 30.436 0.05 1 333 100 84 VAL N N 123.346 0.05 1 334 102 86 ASP H H 7.120 0.05 1 335 102 86 ASP C C 178.279 0.05 1 336 102 86 ASP CA C 55.253 0.05 1 337 102 86 ASP CB C 43.787 0.05 1 338 102 86 ASP N N 125.939 0.05 1 339 103 87 GLU H H 10.300 0.05 1 340 103 87 GLU C C 176.881 0.05 1 341 103 87 GLU CA C 59.019 0.05 1 342 103 87 GLU CB C 29.479 0.05 1 343 103 87 GLU N N 124.392 0.05 1 344 104 88 ASP H H 7.634 0.05 1 345 104 88 ASP C C 175.610 0.05 1 346 104 88 ASP CA C 51.890 0.05 1 347 104 88 ASP CB C 39.055 0.05 1 348 104 88 ASP N N 114.317 0.05 1 349 105 89 TYR H H 7.807 0.05 1 350 105 89 TYR C C 177.768 0.05 1 351 105 89 TYR CA C 58.683 0.05 1 352 105 89 TYR CB C 37.927 0.05 1 353 105 89 TYR N N 123.674 0.05 1 354 106 90 ARG H H 8.382 0.05 1 355 106 90 ARG C C 175.375 0.05 1 356 106 90 ARG CA C 52.165 0.05 1 357 106 90 ARG CB C 28.833 0.05 1 358 106 90 ARG N N 129.935 0.05 1 359 108 92 ASN H H 7.923 0.05 1 360 108 92 ASN C C 178.658 0.05 1 361 108 92 ASN CA C 52.014 0.05 1 362 108 92 ASN CB C 37.852 0.05 1 363 108 92 ASN N N 118.471 0.05 1 364 109 93 VAL H H 8.849 0.05 1 365 109 93 VAL C C 174.373 0.05 1 366 109 93 VAL CA C 65.103 0.05 1 367 109 93 VAL CB C 29.169 0.05 1 368 109 93 VAL N N 136.583 0.05 1 369 110 94 GLY H H 8.266 0.05 1 370 110 94 GLY C C 171.841 0.05 1 371 110 94 GLY CA C 42.604 0.05 1 372 110 94 GLY N N 121.664 0.05 1 373 111 95 VAL H H 8.934 0.05 1 374 111 95 VAL C C 174.557 0.05 1 375 111 95 VAL CA C 59.624 0.05 1 376 111 95 VAL CB C 32.048 0.05 1 377 111 95 VAL N N 127.147 0.05 1 378 112 96 VAL H H 9.720 0.05 1 379 112 96 VAL C C 173.558 0.05 1 380 112 96 VAL CA C 60.798 0.05 1 381 112 96 VAL CB C 28.348 0.05 1 382 112 96 VAL N N 132.990 0.05 1 383 113 97 LEU H H 8.314 0.05 1 384 113 97 LEU C C 175.146 0.05 1 385 113 97 LEU CA C 52.352 0.05 1 386 113 97 LEU CB C 43.562 0.05 1 387 113 97 LEU N N 130.438 0.05 1 388 114 98 PHE H H 8.380 0.05 1 389 114 98 PHE C C 174.109 0.05 1 390 114 98 PHE CA C 50.632 0.05 1 391 114 98 PHE CB C 39.105 0.05 1 392 114 98 PHE N N 122.154 0.05 1 393 115 99 ASN H H 8.193 0.05 1 394 115 99 ASN C C 174.520 0.05 1 395 115 99 ASN CA C 50.211 0.05 1 396 115 99 ASN CB C 37.667 0.05 1 397 115 99 ASN N N 120.697 0.05 1 398 116 100 PHE H H 7.218 0.05 1 399 116 100 PHE C C 174.684 0.05 1 400 116 100 PHE CA C 56.065 0.05 1 401 116 100 PHE CB C 35.683 0.05 1 402 116 100 PHE N N 124.476 0.05 1 403 117 101 GLY H H 7.546 0.05 1 404 117 101 GLY C C 172.056 0.05 1 405 117 101 GLY CA C 43.486 0.05 1 406 117 101 GLY N N 106.152 0.05 1 407 118 102 LYS H H 7.702 0.05 1 408 118 102 LYS C C 176.439 0.05 1 409 118 102 LYS CA C 55.567 0.05 1 410 118 102 LYS CB C 31.927 0.05 1 411 118 102 LYS N N 115.508 0.05 1 412 119 103 GLU H H 7.514 0.05 1 413 119 103 GLU C C 175.461 0.05 1 414 119 103 GLU CA C 53.000 0.05 1 415 119 103 GLU CB C 31.565 0.05 1 416 119 103 GLU N N 119.611 0.05 1 417 120 104 LYS H H 8.350 0.05 1 418 120 104 LYS C C 173.946 0.05 1 419 120 104 LYS CA C 55.546 0.05 1 420 120 104 LYS CB C 31.565 0.05 1 421 120 104 LYS N N 121.650 0.05 1 422 121 105 PHE H H 8.505 0.05 1 423 121 105 PHE C C 173.625 0.05 1 424 121 105 PHE CA C 56.263 0.05 1 425 121 105 PHE CB C 41.541 0.05 1 426 121 105 PHE N N 126.924 0.05 1 427 122 106 GLU H H 7.508 0.05 1 428 122 106 GLU C C 174.335 0.05 1 429 122 106 GLU CA C 54.076 0.05 1 430 122 106 GLU CB C 28.630 0.05 1 431 122 106 GLU N N 128.814 0.05 1 432 123 107 VAL H H 8.788 0.05 1 433 123 107 VAL C C 175.285 0.05 1 434 123 107 VAL CA C 60.297 0.05 1 435 123 107 VAL CB C 32.524 0.05 1 436 123 107 VAL N N 126.785 0.05 1 437 124 108 LYS H H 8.612 0.05 1 438 124 108 LYS C C 176.702 0.05 1 439 124 108 LYS CA C 52.204 0.05 1 440 124 108 LYS CB C 32.095 0.05 1 441 124 108 LYS N N 131.650 0.05 1 442 125 109 LYS H H 8.042 0.05 1 443 125 109 LYS C C 177.862 0.05 1 444 125 109 LYS CA C 57.571 0.05 1 445 125 109 LYS CB C 30.316 0.05 1 446 125 109 LYS N N 124.686 0.05 1 447 126 110 GLY H H 8.766 0.05 1 448 126 110 GLY C C 173.871 0.05 1 449 126 110 GLY CA C 44.276 0.05 1 450 126 110 GLY N N 117.614 0.05 1 451 127 111 ASP H H 8.241 0.05 1 452 127 111 ASP C C 176.711 0.05 1 453 127 111 ASP CA C 53.960 0.05 1 454 127 111 ASP CB C 39.939 0.05 1 455 127 111 ASP N N 124.038 0.05 1 456 128 112 ARG H H 8.419 0.05 1 457 128 112 ARG C C 177.603 0.05 1 458 128 112 ARG CA C 55.030 0.05 1 459 128 112 ARG CB C 29.208 0.05 1 460 128 112 ARG N N 124.336 0.05 1 461 129 113 ILE H H 7.558 0.05 1 462 129 113 ILE C C 173.357 0.05 1 463 129 113 ILE CA C 59.289 0.05 1 464 129 113 ILE CB C 41.589 0.05 1 465 129 113 ILE N N 119.027 0.05 1 466 130 114 ALA H H 7.416 0.05 1 467 130 114 ALA C C 174.113 0.05 1 468 130 114 ALA CA C 51.253 0.05 1 469 130 114 ALA CB C 21.001 0.05 1 470 130 114 ALA N N 118.172 0.05 1 471 131 115 GLN H H 8.803 0.05 1 472 131 115 GLN C C 171.786 0.05 1 473 131 115 GLN CA C 53.099 0.05 1 474 131 115 GLN CB C 31.666 0.05 1 475 131 115 GLN N N 119.790 0.05 1 476 132 116 LEU H H 9.469 0.05 1 477 132 116 LEU C C 174.923 0.05 1 478 132 116 LEU CA C 52.743 0.05 1 479 132 116 LEU CB C 43.666 0.05 1 480 132 116 LEU N N 127.134 0.05 1 481 133 117 ILE H H 9.106 0.05 1 482 133 117 ILE C C 175.495 0.05 1 483 133 117 ILE CA C 59.718 0.05 1 484 133 117 ILE CB C 39.247 0.05 1 485 133 117 ILE N N 133.215 0.05 1 486 134 118 CYS H H 8.881 0.05 1 487 134 118 CYS C C 173.183 0.05 1 488 134 118 CYS CA C 58.434 0.05 1 489 134 118 CYS CB C 25.473 0.05 1 490 134 118 CYS N N 129.107 0.05 1 491 135 119 GLU H H 7.343 0.05 1 492 135 119 GLU C C 176.240 0.05 1 493 135 119 GLU CA C 55.397 0.05 1 494 135 119 GLU CB C 28.858 0.05 1 495 135 119 GLU N N 128.446 0.05 1 496 136 120 ARG H H 7.908 0.05 1 497 136 120 ARG CA C 56.383 0.05 1 498 136 120 ARG CB C 29.048 0.05 1 499 136 120 ARG N N 123.479 0.05 1 500 137 121 ILE H H 7.154 0.05 1 501 137 121 ILE C C 176.274 0.05 1 502 137 121 ILE CA C 58.785 0.05 1 503 137 121 ILE CB C 41.824 0.05 1 504 137 121 ILE N N 115.172 0.05 1 505 138 122 PHE H H 7.331 0.05 1 506 138 122 PHE C C 174.348 0.05 1 507 138 122 PHE CA C 53.850 0.05 1 508 138 122 PHE CB C 41.588 0.05 1 509 138 122 PHE N N 117.789 0.05 1 510 139 123 TYR H H 8.574 0.05 1 511 139 123 TYR C C 174.184 0.05 1 512 139 123 TYR CA C 54.415 0.05 1 513 139 123 TYR CB C 37.107 0.05 1 514 139 123 TYR N N 120.815 0.05 1 515 141 125 GLU H H 8.260 0.05 1 516 141 125 GLU C C 174.690 0.05 1 517 141 125 GLU CA C 55.098 0.05 1 518 141 125 GLU CB C 29.355 0.05 1 519 141 125 GLU N N 124.360 0.05 1 520 142 126 ILE H H 8.153 0.05 1 521 142 126 ILE C C 174.640 0.05 1 522 142 126 ILE CA C 59.058 0.05 1 523 142 126 ILE CB C 38.513 0.05 1 524 142 126 ILE N N 126.341 0.05 1 525 143 127 GLU H H 8.252 0.05 1 526 143 127 GLU C C 173.203 0.05 1 527 143 127 GLU CA C 54.399 0.05 1 528 143 127 GLU CB C 32.169 0.05 1 529 143 127 GLU N N 130.431 0.05 1 530 144 128 GLU H H 8.247 0.05 1 531 144 128 GLU C C 176.086 0.05 1 532 144 128 GLU CA C 54.472 0.05 1 533 144 128 GLU CB C 27.931 0.05 1 534 144 128 GLU N N 130.053 0.05 1 535 145 129 VAL H H 8.330 0.05 1 536 145 129 VAL C C 175.071 0.05 1 537 145 129 VAL CA C 57.883 0.05 1 538 145 129 VAL CB C 33.465 0.05 1 539 145 129 VAL N N 123.304 0.05 1 540 146 130 GLN H H 8.084 0.05 1 541 146 130 GLN C C 175.811 0.05 1 542 146 130 GLN CA C 57.038 0.05 1 543 146 130 GLN CB C 27.864 0.05 1 544 146 130 GLN N N 121.289 0.05 1 545 147 131 ALA H H 7.051 0.05 1 546 147 131 ALA C C 175.751 0.05 1 547 147 131 ALA CA C 51.237 0.05 1 548 147 131 ALA CB C 20.113 0.05 1 549 147 131 ALA N N 119.294 0.05 1 550 148 132 LEU H H 7.941 0.05 1 551 148 132 LEU C C 175.778 0.05 1 552 148 132 LEU CA C 52.655 0.05 1 553 148 132 LEU CB C 41.549 0.05 1 554 148 132 LEU N N 122.708 0.05 1 555 149 133 ASP H H 7.942 0.05 1 556 149 133 ASP C C 175.559 0.05 1 557 149 133 ASP CA C 52.721 0.05 1 558 149 133 ASP CB C 41.549 0.05 1 559 149 133 ASP N N 122.538 0.05 1 560 150 134 ASP H H 8.044 0.05 1 561 150 134 ASP C C 176.414 0.05 1 562 150 134 ASP CA C 53.577 0.05 1 563 150 134 ASP CB C 40.685 0.05 1 564 150 134 ASP N N 122.499 0.05 1 565 151 135 THR H H 7.698 0.05 1 566 151 135 THR C C 174.427 0.05 1 567 151 135 THR CA C 59.753 0.05 1 568 151 135 THR CB C 70.024 0.05 1 569 151 135 THR N N 113.755 0.05 1 570 152 136 GLU H H 8.196 0.05 1 571 152 136 GLU C C 177.467 0.05 1 572 152 136 GLU CA C 57.242 0.05 1 573 152 136 GLU CB C 28.386 0.05 1 574 152 136 GLU N N 122.896 0.05 1 575 153 137 ARG H H 7.866 0.05 1 576 153 137 ARG C C 177.554 0.05 1 577 153 137 ARG CA C 56.807 0.05 1 578 153 137 ARG CB C 29.131 0.05 1 579 153 137 ARG N N 123.455 0.05 1 580 154 138 GLY H H 8.028 0.05 1 581 154 138 GLY C C 174.461 0.05 1 582 154 138 GLY CA C 45.111 0.05 1 583 154 138 GLY N N 112.267 0.05 1 stop_ save_