data_18665 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human dUTPase ; _BMRB_accession_number 18665 _BMRB_flat_file_name bmr18665.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 the apo form' 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" 120 "13C chemical shifts" 347 "15N chemical shifts" 120 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 18666 'dUTPase homotrimer (complex 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 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 2015-01-29 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 18666 dUTPase 100.00 148 100.00 100.00 3.13e-104 PDB 1Q5H "Human Dutp Pyrophosphatase Complex With Dudp" 99.32 147 100.00 100.00 2.97e-103 PDB 1Q5U "Human Dutp Pyrophosphatase" 99.32 147 100.00 100.00 2.97e-103 PDB 2HQU "Human Dutpase In Complex With Alpha,Beta-Iminodutp And Magnesium Ion" 95.27 164 100.00 100.00 1.30e-97 PDB 3ARA "Discovery Of Novel Uracil Derivatives As Potent Human Dutpase Inhibitors" 95.27 164 100.00 100.00 1.30e-97 PDB 3ARN "Human Dutpase In Complex With Novel Uracil Derivative" 95.27 164 100.00 100.00 1.30e-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 1.30e-97 DBJ BAB13724 "dUTP pyrophosphatase [Homo sapiens]" 95.27 164 100.00 100.00 1.30e-97 DBJ BAE87930 "unnamed protein product [Macaca fascicularis]" 95.27 164 97.87 100.00 1.16e-95 DBJ BAE90113 "unnamed protein product [Macaca fascicularis]" 95.27 192 97.87 100.00 4.44e-95 DBJ BAE90827 "unnamed protein product [Macaca fascicularis]" 95.27 141 97.87 100.00 5.92e-96 DBJ BAF84204 "unnamed protein product [Homo sapiens]" 95.27 164 99.29 99.29 7.16e-97 EMBL CAG46521 "DUT [Homo sapiens]" 95.27 164 100.00 100.00 1.30e-97 EMBL CAG46580 "DUT [Homo sapiens]" 95.27 164 100.00 100.00 1.30e-97 GB AAA36801 "dUTP nucleotidohydrolase [Homo sapiens]" 95.27 141 100.00 100.00 9.85e-98 GB AAA58444 "dUTP pyrophosphatase [Homo sapiens]" 95.27 141 100.00 100.00 9.85e-98 GB AAB71393 "dUTPase [Homo sapiens]" 95.27 252 100.00 100.00 5.54e-97 GB AAB71394 "dUTPase [Homo sapiens]" 95.27 164 100.00 100.00 1.30e-97 GB AAB94642 "deoxyuridine triphosphate nucleotidohydrolase precursor [Homo sapiens]" 95.27 252 100.00 100.00 5.54e-97 PRF 2211321A "dehydrouridine triphosphate nucleotidohydrolase" 95.27 164 100.00 100.00 1.30e-97 REF NP_001020419 "deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1 precursor [Homo sapiens]" 95.27 252 100.00 100.00 6.81e-97 REF NP_001020420 "deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 3 [Homo sapiens]" 95.27 141 100.00 100.00 9.85e-98 REF NP_001939 "deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 2 [Homo sapiens]" 95.27 164 100.00 100.00 1.30e-97 REF XP_001084330 "PREDICTED: deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial-like [Macaca mulatta]" 95.27 164 97.16 98.58 7.92e-94 REF XP_001105874 "PREDICTED: deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial-like [Macaca mulatta]" 70.27 104 99.04 100.00 1.56e-67 SP P33316 "RecName: Full=Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial; Short=dUTPase; AltName: Full=dUTP pyrophosphatas" 95.27 252 100.00 100.00 6.81e-97 stop_ 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] '2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE' 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_Apo_form _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_1 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 7.994 0.05 1 2 25 9 GLN C C 174.190 0.05 1 3 25 9 GLN CA C 54.484 0.05 1 4 25 9 GLN CB C 29.982 0.05 1 5 25 9 GLN N N 122.033 0.05 1 6 26 10 LEU H H 8.375 0.05 1 7 26 10 LEU C C 174.522 0.05 1 8 26 10 LEU CA C 53.883 0.05 1 9 26 10 LEU CB C 42.631 0.05 1 10 26 10 LEU N N 127.429 0.05 1 11 27 11 ARG H H 7.411 0.05 1 12 27 11 ARG C C 174.996 0.05 1 13 27 11 ARG CA C 53.671 0.05 1 14 27 11 ARG CB C 31.830 0.05 1 15 27 11 ARG N N 126.898 0.05 1 16 28 12 PHE H H 8.208 0.05 1 17 28 12 PHE C C 170.447 0.05 1 18 28 12 PHE CA C 54.959 0.05 1 19 28 12 PHE CB C 42.752 0.05 1 20 28 12 PHE N N 119.666 0.05 1 21 29 13 ALA H H 8.623 0.05 1 22 29 13 ALA C C 176.841 0.05 1 23 29 13 ALA CA C 49.770 0.05 1 24 29 13 ALA CB C 21.976 0.05 1 25 29 13 ALA N N 123.350 0.05 1 26 30 14 ARG H H 8.779 0.05 1 27 30 14 ARG C C 176.988 0.05 1 28 30 14 ARG CA C 55.622 0.05 1 29 30 14 ARG CB C 29.951 0.05 1 30 30 14 ARG N N 121.490 0.05 1 31 31 15 LEU H H 9.043 0.05 1 32 31 15 LEU C C 176.482 0.05 1 33 31 15 LEU CA C 54.323 0.05 1 34 31 15 LEU CB C 41.132 0.05 1 35 31 15 LEU N N 123.436 0.05 1 36 32 16 SER H H 7.485 0.05 1 37 32 16 SER C C 174.082 0.05 1 38 32 16 SER CA C 57.208 0.05 1 39 32 16 SER CB C 65.907 0.05 1 40 32 16 SER N N 113.889 0.05 1 41 33 17 GLU H H 9.102 0.05 1 42 33 17 GLU C C 175.769 0.05 1 43 33 17 GLU CA C 56.510 0.05 1 44 33 17 GLU N N 119.371 0.05 1 45 34 18 HIS H H 7.992 0.05 1 46 34 18 HIS C C 174.836 0.05 1 47 34 18 HIS CA C 55.450 0.05 1 48 34 18 HIS CB C 30.344 0.05 1 49 34 18 HIS N N 121.391 0.05 1 50 35 19 ALA H H 6.450 0.05 1 51 35 19 ALA C C 177.022 0.05 1 52 35 19 ALA CA C 51.788 0.05 1 53 35 19 ALA CB C 20.411 0.05 1 54 35 19 ALA N N 122.112 0.05 1 55 36 20 THR H H 8.540 0.05 1 56 36 20 THR C C 172.125 0.05 1 57 36 20 THR CA C 61.660 0.05 1 58 36 20 THR CB C 69.396 0.05 1 59 36 20 THR N N 121.846 0.05 1 60 37 21 ALA H H 7.729 0.05 1 61 37 21 ALA C C 174.091 0.05 1 62 37 21 ALA CA C 49.977 0.05 1 63 37 21 ALA CB C 17.872 0.05 1 64 37 21 ALA N N 129.318 0.05 1 65 39 23 THR H H 6.959 0.05 1 66 39 23 THR C C 173.125 0.05 1 67 39 23 THR CA C 58.539 0.05 1 68 39 23 THR CB C 72.283 0.05 1 69 39 23 THR N N 109.433 0.05 1 70 40 24 ARG H H 8.494 0.05 1 71 40 24 ARG C C 177.246 0.05 1 72 40 24 ARG CA C 55.275 0.05 1 73 40 24 ARG CB C 31.239 0.05 1 74 40 24 ARG N N 123.352 0.05 1 75 41 25 GLY H H 8.787 0.05 1 76 41 25 GLY C C 173.287 0.05 1 77 41 25 GLY CA C 46.584 0.05 1 78 41 25 GLY N N 115.338 0.05 1 79 42 26 SER H H 7.025 0.05 1 80 42 26 SER C C 174.107 0.05 1 81 42 26 SER CA C 56.460 0.05 1 82 42 26 SER CB C 63.656 0.05 1 83 42 26 SER N N 114.067 0.05 1 84 43 27 ALA H H 8.335 0.05 1 85 43 27 ALA C C 177.847 0.05 1 86 43 27 ALA CA C 54.339 0.05 1 87 43 27 ALA N N 126.361 0.05 1 88 44 28 ARG H H 7.565 0.05 1 89 44 28 ARG C C 174.232 0.05 1 90 44 28 ARG CA C 52.699 0.05 1 91 44 28 ARG CB C 28.257 0.05 1 92 44 28 ARG N N 115.614 0.05 1 93 45 29 ALA H H 6.460 0.05 1 94 45 29 ALA C C 177.234 0.05 1 95 45 29 ALA CA C 51.963 0.05 1 96 45 29 ALA CB C 17.897 0.05 1 97 45 29 ALA N N 124.827 0.05 1 98 46 30 ALA H H 8.518 0.05 1 99 46 30 ALA C C 176.842 0.05 1 100 46 30 ALA CA C 54.105 0.05 1 101 46 30 ALA CB C 17.897 0.05 1 102 46 30 ALA N N 126.661 0.05 1 103 47 31 GLY H H 7.396 0.05 1 104 47 31 GLY C C 173.295 0.05 1 105 47 31 GLY CA C 43.596 0.05 1 106 47 31 GLY N N 101.981 0.05 1 107 48 32 TYR H H 8.123 0.05 1 108 48 32 TYR C C 176.560 0.05 1 109 48 32 TYR CA C 56.969 0.05 1 110 48 32 TYR CB C 39.716 0.05 1 111 48 32 TYR N N 120.319 0.05 1 112 49 33 ASP H H 9.487 0.05 1 113 49 33 ASP C C 173.465 0.05 1 114 49 33 ASP CA C 55.609 0.05 1 115 49 33 ASP CB C 41.206 0.05 1 116 49 33 ASP N N 125.013 0.05 1 117 50 34 LEU H H 7.307 0.05 1 118 50 34 LEU C C 175.992 0.05 1 119 50 34 LEU CA C 51.809 0.05 1 120 50 34 LEU CB C 43.404 0.05 1 121 50 34 LEU N N 118.534 0.05 1 122 51 35 TYR H H 8.582 0.05 1 123 51 35 TYR C C 176.980 0.05 1 124 51 35 TYR CA C 55.436 0.05 1 125 51 35 TYR CB C 40.163 0.05 1 126 51 35 TYR N N 121.589 0.05 1 127 52 36 SER H H 8.318 0.05 1 128 52 36 SER C C 178.004 0.05 1 129 52 36 SER CA C 58.449 0.05 1 130 52 36 SER CB C 62.549 0.05 1 131 52 36 SER N N 115.359 0.05 1 132 53 37 ALA H H 8.574 0.05 1 133 53 37 ALA C C 172.944 0.05 1 134 53 37 ALA CA C 52.446 0.05 1 135 53 37 ALA CB C 19.069 0.05 1 136 53 37 ALA N N 134.631 0.05 1 137 54 38 TYR H H 7.238 0.05 1 138 54 38 TYR C C 173.168 0.05 1 139 54 38 TYR CA C 56.158 0.05 1 140 54 38 TYR CB C 41.803 0.05 1 141 54 38 TYR N N 112.544 0.05 1 142 55 39 ASP H H 7.744 0.05 1 143 55 39 ASP C C 176.086 0.05 1 144 55 39 ASP CA C 52.671 0.05 1 145 55 39 ASP CB C 40.461 0.05 1 146 55 39 ASP N N 122.527 0.05 1 147 56 40 TYR H H 9.059 0.05 1 148 56 40 TYR C C 174.657 0.05 1 149 56 40 TYR CA C 57.449 0.05 1 150 56 40 TYR CB C 42.036 0.05 1 151 56 40 TYR N N 120.631 0.05 1 152 57 41 THR H H 8.444 0.05 1 153 57 41 THR C C 173.673 0.05 1 154 57 41 THR CA C 61.712 0.05 1 155 57 41 THR CB C 68.927 0.05 1 156 57 41 THR N N 121.530 0.05 1 157 58 42 ILE H H 9.084 0.05 1 158 58 42 ILE C C 174.314 0.05 1 159 58 42 ILE CA C 58.493 0.05 1 160 58 42 ILE CB C 37.909 0.05 1 161 58 42 ILE N N 130.278 0.05 1 162 61 45 MET H H 7.764 0.05 1 163 61 45 MET C C 174.405 0.05 1 164 61 45 MET CA C 53.880 0.05 1 165 61 45 MET CB C 31.976 0.05 1 166 61 45 MET N N 122.374 0.05 1 167 62 46 GLU H H 7.255 0.05 1 168 62 46 GLU C C 172.693 0.05 1 169 62 46 GLU CA C 54.275 0.05 1 170 62 46 GLU CB C 33.120 0.05 1 171 62 46 GLU N N 120.240 0.05 1 172 63 47 LYS H H 7.924 0.05 1 173 63 47 LYS C C 175.608 0.05 1 174 63 47 LYS CA C 52.078 0.05 1 175 63 47 LYS CB C 35.542 0.05 1 176 63 47 LYS N N 117.641 0.05 1 177 64 48 ALA H H 8.344 0.05 1 178 64 48 ALA C C 174.550 0.05 1 179 64 48 ALA CA C 51.003 0.05 1 180 64 48 ALA CB C 21.229 0.05 1 181 64 48 ALA N N 122.686 0.05 1 182 65 49 VAL H H 7.764 0.05 1 183 65 49 VAL C C 174.376 0.05 1 184 65 49 VAL CA C 61.427 0.05 1 185 65 49 VAL CB C 29.613 0.05 1 186 65 49 VAL N N 122.931 0.05 1 187 66 50 VAL H H 8.952 0.05 1 188 66 50 VAL C C 175.712 0.05 1 189 66 50 VAL CA C 60.593 0.05 1 190 66 50 VAL CB C 31.219 0.05 1 191 66 50 VAL N N 131.651 0.05 1 192 67 51 LYS H H 8.002 0.05 1 193 67 51 LYS C C 176.227 0.05 1 194 67 51 LYS CA C 56.725 0.05 1 195 67 51 LYS CB C 32.275 0.05 1 196 67 51 LYS N N 127.873 0.05 1 197 68 52 THR H H 7.513 0.05 1 198 68 52 THR C C 176.144 0.05 1 199 68 52 THR CA C 61.609 0.05 1 200 68 52 THR CB C 69.990 0.05 1 201 68 52 THR N N 110.713 0.05 1 202 69 53 ASP H H 8.661 0.05 1 203 69 53 ASP C C 173.291 0.05 1 204 69 53 ASP CA C 55.031 0.05 1 205 69 53 ASP CB C 36.372 0.05 1 206 69 53 ASP N N 122.182 0.05 1 207 70 54 ILE H H 7.516 0.05 1 208 70 54 ILE C C 173.323 0.05 1 209 70 54 ILE CA C 58.820 0.05 1 210 70 54 ILE CB C 39.454 0.05 1 211 70 54 ILE N N 113.854 0.05 1 212 71 55 GLN H H 8.216 0.05 1 213 71 55 GLN C C 174.752 0.05 1 214 71 55 GLN CA C 52.273 0.05 1 215 71 55 GLN CB C 30.941 0.05 1 216 71 55 GLN N N 120.638 0.05 1 217 72 56 ILE H H 9.721 0.05 1 218 72 56 ILE C C 173.427 0.05 1 219 72 56 ILE CA C 58.862 0.05 1 220 72 56 ILE CB C 41.988 0.05 1 221 72 56 ILE N N 120.375 0.05 1 222 73 57 ALA H H 8.264 0.05 1 223 73 57 ALA C C 176.944 0.05 1 224 73 57 ALA CA C 50.375 0.05 1 225 73 57 ALA CB C 19.218 0.05 1 226 73 57 ALA N N 123.815 0.05 1 227 74 58 LEU H H 7.842 0.05 1 228 74 58 LEU C C 174.595 0.05 1 229 74 58 LEU CA C 53.201 0.05 1 230 74 58 LEU CB C 40.834 0.05 1 231 74 58 LEU N N 128.244 0.05 1 232 76 60 SER H H 7.503 0.05 1 233 76 60 SER C C 176.223 0.05 1 234 76 60 SER CA C 58.766 0.05 1 235 76 60 SER CB C 63.070 0.05 1 236 76 60 SER N N 114.757 0.05 1 237 77 61 GLY H H 9.071 0.05 1 238 77 61 GLY C C 173.949 0.05 1 239 77 61 GLY CA C 44.920 0.05 1 240 77 61 GLY N N 114.139 0.05 1 241 78 62 CYS H H 7.850 0.05 1 242 78 62 CYS C C 171.404 0.05 1 243 78 62 CYS CA C 55.580 0.05 1 244 78 62 CYS CB C 31.368 0.05 1 245 78 62 CYS N N 118.341 0.05 1 246 79 63 TYR H H 7.990 0.05 1 247 79 63 TYR C C 172.301 0.05 1 248 79 63 TYR CA C 55.473 0.05 1 249 79 63 TYR CB C 40.014 0.05 1 250 79 63 TYR N N 116.334 0.05 1 251 80 64 GLY H H 8.872 0.05 1 252 80 64 GLY C C 170.003 0.05 1 253 80 64 GLY CA C 44.671 0.05 1 254 80 64 GLY N N 110.430 0.05 1 255 81 65 ARG H H 9.307 0.05 1 256 81 65 ARG C C 176.336 0.05 1 257 81 65 ARG CA C 53.819 0.05 1 258 81 65 ARG CB C 33.231 0.05 1 259 81 65 ARG N N 130.238 0.05 1 260 82 66 VAL H H 9.121 0.05 1 261 82 66 VAL C C 173.648 0.05 1 262 82 66 VAL CA C 61.940 0.05 1 263 82 66 VAL CB C 29.281 0.05 1 264 82 66 VAL N N 131.568 0.05 1 265 83 67 ALA H H 9.120 0.05 1 266 83 67 ALA C C 174.021 0.05 1 267 83 67 ALA CA C 48.054 0.05 1 268 83 67 ALA CB C 20.560 0.05 1 269 83 67 ALA N N 133.097 0.05 1 270 88 72 LEU H H 6.750 0.05 1 271 88 72 LEU C C 179.262 0.05 1 272 88 72 LEU CA C 57.009 0.05 1 273 88 72 LEU CB C 40.461 0.05 1 274 88 72 LEU N N 120.160 0.05 1 275 89 73 ALA H H 7.204 0.05 1 276 89 73 ALA C C 178.254 0.05 1 277 89 73 ALA CA C 54.588 0.05 1 278 89 73 ALA CB C 24.117 0.05 1 279 89 73 ALA N N 123.287 0.05 1 280 90 74 ALA H H 7.704 0.05 1 281 90 74 ALA C C 178.732 0.05 1 282 90 74 ALA CA C 54.121 0.05 1 283 90 74 ALA CB C 17.917 0.05 1 284 90 74 ALA N N 118.710 0.05 1 285 91 75 LYS H H 7.933 0.05 1 286 91 75 LYS C C 178.011 0.05 1 287 91 75 LYS CA C 57.027 0.05 1 288 91 75 LYS CB C 31.321 0.05 1 289 91 75 LYS N N 114.962 0.05 1 290 92 76 HIS H H 6.751 0.05 1 291 92 76 HIS C C 173.716 0.05 1 292 92 76 HIS CA C 55.036 0.05 1 293 92 76 HIS CB C 32.460 0.05 1 294 92 76 HIS N N 116.081 0.05 1 295 93 77 PHE H H 7.762 0.05 1 296 93 77 PHE C C 173.006 0.05 1 297 93 77 PHE CA C 55.637 0.05 1 298 93 77 PHE CB C 38.086 0.05 1 299 93 77 PHE N N 123.375 0.05 1 300 94 78 ILE H H 6.913 0.05 1 301 94 78 ILE C C 176.196 0.05 1 302 94 78 ILE CA C 56.500 0.05 1 303 94 78 ILE CB C 35.691 0.05 1 304 94 78 ILE N N 118.023 0.05 1 305 95 79 ASP H H 8.744 0.05 1 306 95 79 ASP C C 173.022 0.05 1 307 95 79 ASP CA C 50.852 0.05 1 308 95 79 ASP CB C 45.995 0.05 1 309 95 79 ASP N N 128.075 0.05 1 310 96 80 VAL H H 7.589 0.05 1 311 96 80 VAL C C 176.531 0.05 1 312 96 80 VAL CA C 59.904 0.05 1 313 96 80 VAL CB C 33.156 0.05 1 314 96 80 VAL N N 121.351 0.05 1 315 97 81 GLY H H 8.037 0.05 1 316 97 81 GLY C C 171.410 0.05 1 317 97 81 GLY CA C 43.405 0.05 1 318 97 81 GLY N N 117.181 0.05 1 319 98 82 ALA H H 8.634 0.05 1 320 98 82 ALA C C 177.569 0.05 1 321 98 82 ALA CA C 53.161 0.05 1 322 98 82 ALA N N 120.259 0.05 1 323 99 83 GLY H H 7.115 0.05 1 324 99 83 GLY C C 172.857 0.05 1 325 99 83 GLY CA C 46.291 0.05 1 326 99 83 GLY N N 109.552 0.05 1 327 100 84 VAL H H 7.502 0.05 1 328 100 84 VAL C C 175.864 0.05 1 329 100 84 VAL CA C 62.004 0.05 1 330 100 84 VAL CB C 30.586 0.05 1 331 100 84 VAL N N 121.080 0.05 1 332 101 85 ILE H H 9.456 0.05 1 333 101 85 ILE C C 174.392 0.05 1 334 101 85 ILE CA C 59.174 0.05 1 335 101 85 ILE CB C 35.354 0.05 1 336 101 85 ILE N N 134.445 0.05 1 337 102 86 ASP H H 7.578 0.05 1 338 102 86 ASP C C 177.933 0.05 1 339 102 86 ASP CA C 54.749 0.05 1 340 102 86 ASP CB C 43.190 0.05 1 341 102 86 ASP N N 126.443 0.05 1 342 103 87 GLU H H 10.009 0.05 1 343 103 87 GLU C C 177.060 0.05 1 344 103 87 GLU CA C 59.398 0.05 1 345 103 87 GLU CB C 30.745 0.05 1 346 103 87 GLU N N 122.654 0.05 1 347 104 88 ASP H H 7.552 0.05 1 348 104 88 ASP C C 175.967 0.05 1 349 104 88 ASP CA C 52.547 0.05 1 350 104 88 ASP CB C 39.875 0.05 1 351 104 88 ASP N N 115.382 0.05 1 352 105 89 TYR H H 7.756 0.05 1 353 105 89 TYR C C 177.394 0.05 1 354 105 89 TYR CA C 59.742 0.05 1 355 105 89 TYR CB C 37.927 0.05 1 356 105 89 TYR N N 123.804 0.05 1 357 106 90 ARG H H 8.250 0.05 1 358 106 90 ARG C C 175.574 0.05 1 359 106 90 ARG CA C 52.761 0.05 1 360 106 90 ARG CB C 29.281 0.05 1 361 106 90 ARG N N 129.901 0.05 1 362 108 92 ASN H H 7.721 0.05 1 363 108 92 ASN C C 177.936 0.05 1 364 108 92 ASN CA C 52.278 0.05 1 365 108 92 ASN CB C 37.852 0.05 1 366 108 92 ASN N N 118.295 0.05 1 367 109 93 VAL H H 8.864 0.05 1 368 109 93 VAL C C 174.393 0.05 1 369 109 93 VAL CA C 64.800 0.05 1 370 109 93 VAL CB C 29.478 0.05 1 371 109 93 VAL N N 135.199 0.05 1 372 110 94 GLY H H 8.267 0.05 1 373 110 94 GLY C C 171.845 0.05 1 374 110 94 GLY CA C 42.811 0.05 1 375 110 94 GLY N N 122.063 0.05 1 376 111 95 VAL H H 8.634 0.05 1 377 111 95 VAL C C 174.438 0.05 1 378 111 95 VAL CA C 60.211 0.05 1 379 111 95 VAL CB C 30.070 0.05 1 380 111 95 VAL N N 126.986 0.05 1 381 112 96 VAL H H 9.211 0.05 1 382 112 96 VAL C C 173.874 0.05 1 383 112 96 VAL CA C 61.108 0.05 1 384 112 96 VAL CB C 29.325 0.05 1 385 112 96 VAL N N 131.926 0.05 1 386 113 97 LEU H H 8.292 0.05 1 387 113 97 LEU C C 175.572 0.05 1 388 113 97 LEU CA C 52.673 0.05 1 389 113 97 LEU CB C 43.637 0.05 1 390 113 97 LEU N N 130.031 0.05 1 391 114 98 PHE H H 8.315 0.05 1 392 114 98 PHE C C 174.051 0.05 1 393 114 98 PHE CA C 50.904 0.05 1 394 114 98 PHE CB C 39.343 0.05 1 395 114 98 PHE N N 121.669 0.05 1 396 115 99 ASN H H 8.154 0.05 1 397 115 99 ASN C C 174.451 0.05 1 398 115 99 ASN CA C 50.632 0.05 1 399 115 99 ASN CB C 37.667 0.05 1 400 115 99 ASN N N 120.591 0.05 1 401 116 100 PHE H H 7.236 0.05 1 402 116 100 PHE C C 174.640 0.05 1 403 116 100 PHE CA C 56.237 0.05 1 404 116 100 PHE CB C 35.981 0.05 1 405 116 100 PHE N N 124.374 0.05 1 406 117 101 GLY H H 7.534 0.05 1 407 117 101 GLY C C 172.056 0.05 1 408 117 101 GLY CA C 43.743 0.05 1 409 117 101 GLY N N 105.902 0.05 1 410 118 102 LYS H H 7.713 0.05 1 411 118 102 LYS C C 176.471 0.05 1 412 118 102 LYS CA C 55.794 0.05 1 413 118 102 LYS CB C 32.113 0.05 1 414 118 102 LYS N N 115.454 0.05 1 415 119 103 GLU H H 7.482 0.05 1 416 119 103 GLU C C 175.461 0.05 1 417 119 103 GLU CA C 53.209 0.05 1 418 119 103 GLU CB C 32.784 0.05 1 419 119 103 GLU N N 119.126 0.05 1 420 120 104 LYS H H 8.327 0.05 1 421 120 104 LYS C C 174.022 0.05 1 422 120 104 LYS CA C 55.794 0.05 1 423 120 104 LYS CB C 31.565 0.05 1 424 120 104 LYS N N 121.349 0.05 1 425 121 105 PHE H H 8.477 0.05 1 426 121 105 PHE C C 173.572 0.05 1 427 121 105 PHE CA C 56.502 0.05 1 428 121 105 PHE CB C 41.988 0.05 1 429 121 105 PHE N N 126.444 0.05 1 430 122 106 GLU H H 7.421 0.05 1 431 122 106 GLU C C 174.493 0.05 1 432 122 106 GLU CA C 54.315 0.05 1 433 122 106 GLU CB C 29.375 0.05 1 434 122 106 GLU N N 128.295 0.05 1 435 123 107 VAL H H 8.726 0.05 1 436 123 107 VAL C C 175.213 0.05 1 437 123 107 VAL CA C 60.506 0.05 1 438 123 107 VAL CB C 33.120 0.05 1 439 123 107 VAL N N 126.278 0.05 1 440 124 108 LYS H H 8.566 0.05 1 441 124 108 LYS C C 176.681 0.05 1 442 124 108 LYS CA C 52.599 0.05 1 443 124 108 LYS CB C 32.318 0.05 1 444 124 108 LYS N N 131.095 0.05 1 445 125 109 LYS H H 8.045 0.05 1 446 125 109 LYS C C 177.651 0.05 1 447 125 109 LYS CA C 57.897 0.05 1 448 125 109 LYS CB C 30.316 0.05 1 449 125 109 LYS N N 124.538 0.05 1 450 126 110 GLY H H 8.660 0.05 1 451 126 110 GLY C C 174.110 0.05 1 452 126 110 GLY CA C 44.584 0.05 1 453 126 110 GLY N N 117.434 0.05 1 454 127 111 ASP H H 8.261 0.05 1 455 127 111 ASP C C 176.849 0.05 1 456 127 111 ASP CA C 54.408 0.05 1 457 127 111 ASP CB C 39.939 0.05 1 458 127 111 ASP N N 123.872 0.05 1 459 128 112 ARG H H 8.296 0.05 1 460 128 112 ARG C C 177.401 0.05 1 461 128 112 ARG CA C 55.489 0.05 1 462 128 112 ARG CB C 29.581 0.05 1 463 128 112 ARG N N 123.627 0.05 1 464 129 113 ILE H H 7.839 0.05 1 465 129 113 ILE C C 173.234 0.05 1 466 129 113 ILE CA C 59.650 0.05 1 467 129 113 ILE CB C 38.533 0.05 1 468 129 113 ILE N N 117.697 0.05 1 469 130 114 ALA H H 7.291 0.05 1 470 130 114 ALA C C 174.837 0.05 1 471 130 114 ALA CA C 51.476 0.05 1 472 130 114 ALA CB C 21.672 0.05 1 473 130 114 ALA N N 118.773 0.05 1 474 131 115 GLN H H 8.868 0.05 1 475 131 115 GLN C C 172.097 0.05 1 476 131 115 GLN CA C 53.485 0.05 1 477 131 115 GLN CB C 31.964 0.05 1 478 131 115 GLN N N 120.780 0.05 1 479 132 116 LEU H H 9.419 0.05 1 480 132 116 LEU C C 174.721 0.05 1 481 132 116 LEU CA C 52.916 0.05 1 482 132 116 LEU CB C 43.666 0.05 1 483 132 116 LEU N N 126.822 0.05 1 484 133 117 ILE H H 9.056 0.05 1 485 133 117 ILE C C 175.574 0.05 1 486 133 117 ILE CA C 60.180 0.05 1 487 133 117 ILE CB C 39.059 0.05 1 488 133 117 ILE N N 132.551 0.05 1 489 134 118 CYS H H 8.923 0.05 1 490 134 118 CYS C C 173.260 0.05 1 491 134 118 CYS CA C 58.873 0.05 1 492 134 118 CYS CB C 26.294 0.05 1 493 134 118 CYS N N 128.738 0.05 1 494 135 119 GLU H H 7.232 0.05 1 495 135 119 GLU C C 176.376 0.05 1 496 135 119 GLU CA C 54.900 0.05 1 497 135 119 GLU CB C 29.792 0.05 1 498 135 119 GLU N N 127.171 0.05 1 499 136 120 ARG H H 8.292 0.05 1 500 136 120 ARG C C 175.772 0.05 1 501 136 120 ARG CA C 56.483 0.05 1 502 136 120 ARG CB C 29.061 0.05 1 503 136 120 ARG N N 123.140 0.05 1 504 137 121 ILE H H 6.720 0.05 1 505 137 121 ILE C C 176.067 0.05 1 506 137 121 ILE CA C 59.234 0.05 1 507 137 121 ILE CB C 42.381 0.05 1 508 137 121 ILE N N 114.255 0.05 1 509 138 122 PHE H H 7.492 0.05 1 510 138 122 PHE C C 174.348 0.05 1 511 138 122 PHE CA C 54.406 0.05 1 512 138 122 PHE CB C 41.811 0.05 1 513 138 122 PHE N N 118.394 0.05 1 514 139 123 TYR H H 8.582 0.05 1 515 139 123 TYR C C 174.184 0.05 1 516 139 123 TYR CA C 54.415 0.05 1 517 139 123 TYR CB C 37.405 0.05 1 518 139 123 TYR N N 121.125 0.05 1 519 141 125 GLU H H 8.308 0.05 1 520 141 125 GLU C C 174.603 0.05 1 521 141 125 GLU CA C 55.429 0.05 1 522 141 125 GLU CB C 29.579 0.05 1 523 141 125 GLU N N 124.218 0.05 1 524 142 126 ILE H H 8.123 0.05 1 525 142 126 ILE C C 174.455 0.05 1 526 142 126 ILE CA C 58.897 0.05 1 527 142 126 ILE CB C 39.407 0.05 1 528 142 126 ILE N N 124.981 0.05 1 529 143 127 GLU H H 8.300 0.05 1 530 143 127 GLU C C 173.257 0.05 1 531 143 127 GLU CA C 54.721 0.05 1 532 143 127 GLU CB C 32.617 0.05 1 533 143 127 GLU N N 129.595 0.05 1 534 144 128 GLU H H 8.154 0.05 1 535 144 128 GLU C C 176.086 0.05 1 536 144 128 GLU CA C 54.651 0.05 1 537 144 128 GLU CB C 28.154 0.05 1 538 144 128 GLU N N 128.963 0.05 1 539 145 129 VAL H H 8.301 0.05 1 540 145 129 VAL C C 175.125 0.05 1 541 145 129 VAL CA C 58.122 0.05 1 542 145 129 VAL CB C 33.465 0.05 1 543 145 129 VAL N N 122.912 0.05 1 544 146 130 GLN H H 8.070 0.05 1 545 146 130 GLN C C 175.811 0.05 1 546 146 130 GLN CA C 57.252 0.05 1 547 146 130 GLN CB C 28.088 0.05 1 548 146 130 GLN N N 121.299 0.05 1 549 147 131 ALA H H 7.121 0.05 1 550 147 131 ALA C C 176.034 0.05 1 551 147 131 ALA CA C 51.512 0.05 1 552 147 131 ALA CB C 19.963 0.05 1 553 147 131 ALA N N 119.345 0.05 1 554 148 132 LEU H H 7.924 0.05 1 555 148 132 LEU C C 176.223 0.05 1 556 148 132 LEU CA C 53.830 0.05 1 557 148 132 LEU CB C 41.176 0.05 1 558 148 132 LEU N N 123.179 0.05 1 559 149 133 ASP H H 7.840 0.05 1 560 149 133 ASP C C 175.505 0.05 1 561 149 133 ASP CA C 53.496 0.05 1 562 149 133 ASP CB C 40.991 0.05 1 563 149 133 ASP N N 122.335 0.05 1 564 150 134 ASP H H 8.052 0.05 1 565 150 134 ASP C C 176.512 0.05 1 566 150 134 ASP CA C 53.726 0.05 1 567 150 134 ASP CB C 40.312 0.05 1 568 150 134 ASP N N 122.615 0.05 1 569 151 135 THR H H 7.772 0.05 1 570 151 135 THR C C 174.948 0.05 1 571 151 135 THR CA C 62.039 0.05 1 572 151 135 THR CB C 68.906 0.05 1 573 151 135 THR N N 115.972 0.05 1 574 152 136 GLU H H 8.055 0.05 1 575 152 136 GLU C C 176.706 0.05 1 576 152 136 GLU CA C 56.311 0.05 1 577 152 136 GLU CB C 28.759 0.05 1 578 152 136 GLU N N 124.670 0.05 1 579 153 137 ARG H H 7.907 0.05 1 580 153 137 ARG C C 176.967 0.05 1 581 153 137 ARG CA C 55.879 0.05 1 582 153 137 ARG CB C 29.281 0.05 1 583 153 137 ARG N N 123.440 0.05 1 584 154 138 GLY H H 8.012 0.05 1 585 154 138 GLY C C 174.330 0.05 1 586 154 138 GLY CA C 44.917 0.05 1 587 154 138 GLY N N 111.417 0.05 1 stop_ save_