data_15222 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PV-3C ; _BMRB_accession_number 15222 _BMRB_flat_file_name bmr15222.str _Entry_type original _Submission_date 2007-04-25 _Accession_date 2007-04-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignments of Poliovirus (PV) 3C' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amero Carlos D. . 2 Arnold Jamie . . 3 Cameron Craig E. . 4 Foster Mark P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 146 "13C chemical shifts" 384 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-02 update BMRB 'complete entry citation' 2007-05-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification of the oriI-binding site of poliovirus 3C protein by nuclear magnetic resonance spectroscopy' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18305026 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amero Carlos D. . 2 Arnold Jamie J. . 3 Moustafa I. M. . 4 Cameron Craig E. . 5 Foster Mark P. . stop_ _Journal_abbreviation 'J. Virol.' _Journal_volume 82 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4363 _Page_last 4370 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PV-3C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PV-3C $3C 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_3C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 3C _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function protease 'RNA binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; GPGFDYAVAMAKRNIVTATT SKGEFTMLGVHDNVAILPTH ASPGESIVIDGKEVEILDAK ALEDQAGTNLEITIITLKRN EKFRDIRPHIPTQITETNDG VLIVNTSKYPNMYVPVGAVT EQGYLNLGGRQTARTLMYNF PTRAGQAGGVITSTGKVIGM HVGGNGSHGFAAALKRSYFT QSQGSSGHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 GLY 4 PHE 5 ASP 6 TYR 7 ALA 8 VAL 9 ALA 10 MET 11 ALA 12 LYS 13 ARG 14 ASN 15 ILE 16 VAL 17 THR 18 ALA 19 THR 20 THR 21 SER 22 LYS 23 GLY 24 GLU 25 PHE 26 THR 27 MET 28 LEU 29 GLY 30 VAL 31 HIS 32 ASP 33 ASN 34 VAL 35 ALA 36 ILE 37 LEU 38 PRO 39 THR 40 HIS 41 ALA 42 SER 43 PRO 44 GLY 45 GLU 46 SER 47 ILE 48 VAL 49 ILE 50 ASP 51 GLY 52 LYS 53 GLU 54 VAL 55 GLU 56 ILE 57 LEU 58 ASP 59 ALA 60 LYS 61 ALA 62 LEU 63 GLU 64 ASP 65 GLN 66 ALA 67 GLY 68 THR 69 ASN 70 LEU 71 GLU 72 ILE 73 THR 74 ILE 75 ILE 76 THR 77 LEU 78 LYS 79 ARG 80 ASN 81 GLU 82 LYS 83 PHE 84 ARG 85 ASP 86 ILE 87 ARG 88 PRO 89 HIS 90 ILE 91 PRO 92 THR 93 GLN 94 ILE 95 THR 96 GLU 97 THR 98 ASN 99 ASP 100 GLY 101 VAL 102 LEU 103 ILE 104 VAL 105 ASN 106 THR 107 SER 108 LYS 109 TYR 110 PRO 111 ASN 112 MET 113 TYR 114 VAL 115 PRO 116 VAL 117 GLY 118 ALA 119 VAL 120 THR 121 GLU 122 GLN 123 GLY 124 TYR 125 LEU 126 ASN 127 LEU 128 GLY 129 GLY 130 ARG 131 GLN 132 THR 133 ALA 134 ARG 135 THR 136 LEU 137 MET 138 TYR 139 ASN 140 PHE 141 PRO 142 THR 143 ARG 144 ALA 145 GLY 146 GLN 147 ALA 148 GLY 149 GLY 150 VAL 151 ILE 152 THR 153 SER 154 THR 155 GLY 156 LYS 157 VAL 158 ILE 159 GLY 160 MET 161 HIS 162 VAL 163 GLY 164 GLY 165 ASN 166 GLY 167 SER 168 HIS 169 GLY 170 PHE 171 ALA 172 ALA 173 ALA 174 LEU 175 LYS 176 ARG 177 SER 178 TYR 179 PHE 180 THR 181 GLN 182 SER 183 GLN 184 GLY 185 SER 186 SER 187 GLY 188 HIS 189 HIS 190 HIS 191 HIS 192 HIS 193 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1L1N "Poliovirus 3c Proteinase" 94.82 183 98.91 98.91 2.06e-128 PDB 2IJD "Crystal Structure Of The Poliovirus Precursor Protein 3cd" 95.34 644 97.83 97.83 2.33e-121 PDB 4DCD "1.6a Resolution Structure Of Poliovirus 3c Protease Containing A Covalently Bound Dipeptidyl Inhibitor" 94.82 190 98.91 98.91 1.53e-127 EMBL CAA24461 "polyprotein [Human poliovirus 1 Mahoney]" 95.34 2209 98.91 98.91 4.35e-117 EMBL CAA24465 "polyprotein [Human poliovirus 1 strain Sabin]" 95.34 2209 98.91 98.91 4.18e-117 EMBL CAA25246 "PV2 polyprotein [Human poliovirus 2]" 95.34 2207 97.28 97.83 1.08e-114 EMBL CAA25247 "unnamed protein product [Human poliovirus 3]" 95.34 2206 97.83 97.83 3.00e-115 EMBL CAA25444 "unnamed protein product [Human poliovirus 3]" 95.34 2206 97.83 97.83 3.00e-115 GB AAA46914 "viral protein precursor [Human poliovirus 3]" 95.34 2206 97.83 97.83 2.80e-115 GB AAL75969 "polyprotein [Human poliovirus 1]" 95.34 2209 97.83 98.37 1.28e-115 GB AAL75970 "polyprotein [Human poliovirus 1]" 95.34 2209 97.28 97.83 5.11e-115 GB AAM09803 "polyprotein [Human poliovirus 1]" 95.34 2209 97.28 98.37 8.98e-116 GB AAM09805 "polyprotein [Human poliovirus 1]" 95.34 2209 97.83 98.91 2.81e-116 REF NP_041277 "genome polyprotein [Enterovirus C]" 95.34 2209 98.91 98.91 4.35e-117 REF NP_740476 "Picornain 3C [Human enterovirus C] [Enterovirus C]" 94.82 183 98.91 98.91 2.06e-128 REF YP_007353734 "protein 3CD [Human enterovirus C] [Enterovirus C]" 95.34 644 98.91 98.91 3.69e-124 SP P03300 "RecName: Full=Genome polyprotein; Contains: RecName: Full=P1; Contains: RecName: Full=Capsid protein VP0; AltName: Full=VP4-VP2" 95.34 2209 98.91 98.91 4.35e-117 SP P03301 "RecName: Full=Genome polyprotein; Contains: RecName: Full=P3; Contains: RecName: Full=Protein 3AB; Contains: RecName: Full=P1; " 95.34 2209 98.91 98.91 4.18e-117 SP P03302 "RecName: Full=Genome polyprotein; Contains: RecName: Full=P3; Contains: RecName: Full=Protein 3AB; Contains: RecName: Full=P1; " 95.34 2206 97.83 97.83 2.80e-115 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $3C . 138953 Viruses . Enterovirus Poliovirus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $3C 'recombinant technology' . Escherichia coli BL21(DE3) pCG1 'pET26Ub-PV 3C C147A C153S CHIS' 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 $3C 0.5 mM '[U-100% 13C; U-100% 15N; 80% 2H]' HEPES 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 10 % 'natural abundance' TSP 1 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $3C 0.5 mM '[U-100% 15N]' HEPES 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 10 % 'natural abundance' TSP 1 % '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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.5 . 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 TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144952 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132905 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' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PV-3C _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 5 5 ASP H H 8.19 0.02 1 2 5 5 ASP C C 178.7 0.3 1 3 5 5 ASP CA C 56.9 0.3 1 4 5 5 ASP CB C 39.5 0.3 1 5 5 5 ASP N N 119.7 0.3 1 6 6 6 TYR H H 8.25 0.02 1 7 6 6 TYR C C 176.6 0.3 1 8 6 6 TYR CA C 61.3 0.3 1 9 6 6 TYR CB C 38.0 0.3 1 10 6 6 TYR N N 121.6 0.3 1 11 7 7 ALA H H 7.75 0.02 1 12 7 7 ALA C C 178.6 0.3 1 13 7 7 ALA CA C 55.3 0.3 1 14 7 7 ALA CB C 17.7 0.3 1 15 7 7 ALA N N 123.5 0.3 1 16 8 8 VAL H H 8.03 0.02 1 17 8 8 VAL C C 178.3 0.3 1 18 8 8 VAL CA C 65.3 0.3 1 19 8 8 VAL CB C 31.2 0.3 1 20 8 8 VAL N N 118.3 0.3 1 21 9 9 ALA H H 7.51 0.02 1 22 9 9 ALA C C 180.6 0.3 1 23 9 9 ALA CA C 54.7 0.3 1 24 9 9 ALA CB C 17.8 0.3 1 25 9 9 ALA N N 121.8 0.3 1 26 10 10 MET H H 7.98 0.02 1 27 10 10 MET C C 178.2 0.3 1 28 10 10 MET CA C 56.5 0.3 1 29 10 10 MET CB C 28.8 0.3 1 30 10 10 MET N N 118.9 0.3 1 31 11 11 ALA H H 8.47 0.02 1 32 11 11 ALA C C 179.7 0.3 1 33 11 11 ALA CA C 54.5 0.3 1 34 11 11 ALA CB C 18.3 0.3 1 35 11 11 ALA N N 122.6 0.3 1 36 12 12 LYS H H 7.99 0.02 1 37 12 12 LYS C C 178.6 0.3 1 38 12 12 LYS CA C 58.9 0.3 1 39 12 12 LYS CB C 32.1 0.3 1 40 12 12 LYS N N 115.8 0.3 1 41 13 13 ARG H H 7.25 0.02 1 42 13 13 ARG C C 177.9 0.3 1 43 13 13 ARG CA C 56.3 0.3 1 44 13 13 ARG CB C 30.8 0.3 1 45 13 13 ARG N N 113.8 0.3 1 46 14 14 ASN H H 8.22 0.02 1 47 14 14 ASN C C 172.7 0.3 1 48 14 14 ASN CA C 55.4 0.3 1 49 14 14 ASN CB C 41.2 0.3 1 50 14 14 ASN N N 118.1 0.3 1 51 15 15 ILE H H 7.51 0.02 1 52 15 15 ILE C C 175.6 0.3 1 53 15 15 ILE CA C 60.4 0.3 1 54 15 15 ILE CB C 37.8 0.3 1 55 15 15 ILE N N 119.6 0.3 1 56 16 16 VAL H H 9.16 0.02 1 57 16 16 VAL C C 173.6 0.3 1 58 16 16 VAL CA C 58.9 0.3 1 59 16 16 VAL CB C 34.8 0.3 1 60 16 16 VAL N N 123.8 0.3 1 61 17 17 THR H H 8.69 0.02 1 62 17 17 THR C C 174.0 0.3 1 63 17 17 THR CA C 63.0 0.3 1 64 17 17 THR CB C 69.6 0.3 1 65 17 17 THR N N 117.9 0.3 1 66 18 18 ALA H H 9.50 0.02 1 67 18 18 ALA C C 176.4 0.3 1 68 18 18 ALA CA C 50.1 0.3 1 69 18 18 ALA CB C 23.3 0.3 1 70 18 18 ALA N N 132.1 0.3 1 71 19 19 THR H H 9.35 0.02 1 72 19 19 THR C C 175.8 0.3 1 73 19 19 THR CA C 62.4 0.3 1 74 19 19 THR N N 118.3 0.3 1 75 20 20 THR H H 9.31 0.02 1 76 20 20 THR CA C 59.1 0.3 1 77 20 20 THR CB C 71.1 0.3 1 78 20 20 THR N N 119.9 0.3 1 79 22 22 LYS H H 8.44 0.02 1 80 22 22 LYS C C 176.2 0.3 1 81 22 22 LYS CA C 54.6 0.3 1 82 22 22 LYS CB C 32.0 0.3 1 83 22 22 LYS N N 119.3 0.3 1 84 23 23 GLY H H 7.76 0.02 1 85 23 23 GLY C C 170.7 0.3 1 86 23 23 GLY CA C 44.3 0.3 1 87 23 23 GLY N N 109.3 0.3 1 88 24 24 GLU H H 7.92 0.02 1 89 24 24 GLU C C 176.3 0.3 1 90 24 24 GLU CA C 55.5 0.3 1 91 24 24 GLU CB C 32.0 0.3 1 92 24 24 GLU N N 119.5 0.3 1 93 25 25 PHE H H 9.83 0.02 1 94 25 25 PHE C C 174.6 0.3 1 95 25 25 PHE CA C 57.6 0.3 1 96 25 25 PHE CB C 43.2 0.3 1 97 25 25 PHE N N 121.9 0.3 1 98 26 26 THR H H 7.72 0.02 1 99 26 26 THR C C 170.9 0.3 1 100 26 26 THR CA C 65.6 0.3 1 101 26 26 THR CB C 69.4 0.3 1 102 26 26 THR N N 122.7 0.3 1 103 27 27 MET H H 8.79 0.02 1 104 27 27 MET C C 173.8 0.3 1 105 27 27 MET CA C 54.2 0.3 1 106 27 27 MET CB C 36.8 0.3 1 107 27 27 MET N N 125.0 0.3 1 108 29 29 GLY H H 8.89 0.02 1 109 29 29 GLY C C 172.9 0.3 1 110 29 29 GLY CA C 42.7 0.3 1 111 29 29 GLY N N 116.3 0.3 1 112 30 30 VAL H H 8.78 0.02 1 113 30 30 VAL C C 173.8 0.3 1 114 30 30 VAL CA C 63.8 0.3 1 115 30 30 VAL CB C 32.5 0.3 1 116 30 30 VAL N N 126.9 0.3 1 117 31 31 HIS H H 7.23 0.02 1 118 31 31 HIS C C 172.5 0.3 1 119 31 31 HIS CA C 55.5 0.3 1 120 31 31 HIS CB C 28.5 0.3 1 121 31 31 HIS N N 109.4 0.3 1 122 32 32 ASP H H 9.84 0.02 1 123 32 32 ASP C C 173.0 0.3 1 124 32 32 ASP CA C 57.6 0.3 1 125 32 32 ASP CB C 40.0 0.3 1 126 32 32 ASP N N 119.9 0.3 1 127 33 33 ASN H H 8.74 0.02 1 128 33 33 ASN C C 173.6 0.3 1 129 33 33 ASN CA C 52.1 0.3 1 130 33 33 ASN CB C 36.0 0.3 1 131 33 33 ASN N N 122.6 0.3 1 132 34 34 VAL H H 9.08 0.02 1 133 34 34 VAL C C 174.2 0.3 1 134 34 34 VAL CA C 63.0 0.3 1 135 34 34 VAL CB C 32.0 0.3 1 136 34 34 VAL N N 122.9 0.3 1 137 35 35 ALA H H 9.25 0.02 1 138 35 35 ALA C C 175.1 0.3 1 139 35 35 ALA CA C 49.9 0.3 1 140 35 35 ALA CB C 24.2 0.3 1 141 35 35 ALA N N 131.0 0.3 1 142 36 36 ILE H H 8.09 0.02 1 143 36 36 ILE C C 173.9 0.3 1 144 36 36 ILE CA C 59.1 0.3 1 145 36 36 ILE CB C 42.4 0.3 1 146 36 36 ILE N N 110.0 0.3 1 147 37 37 LEU H H 8.35 0.02 1 148 37 37 LEU CA C 51.5 0.3 1 149 37 37 LEU CB C 46.1 0.3 1 150 37 37 LEU N N 118.9 0.3 1 151 40 40 HIS H H 7.94 0.02 1 152 40 40 HIS C C 175.5 0.3 1 153 40 40 HIS CA C 58.0 0.3 1 154 40 40 HIS CB C 30.9 0.3 1 155 40 40 HIS N N 126.9 0.3 1 156 41 41 ALA H H 7.58 0.02 1 157 41 41 ALA C C 177.3 0.3 1 158 41 41 ALA CA C 53.8 0.3 1 159 41 41 ALA CB C 17.1 0.3 1 160 41 41 ALA N N 123.4 0.3 1 161 42 42 SER H H 7.81 0.02 1 162 42 42 SER CA C 57.2 0.3 1 163 42 42 SER CB C 62.3 0.3 1 164 42 42 SER N N 107.5 0.3 1 165 44 44 GLY H H 8.87 0.02 1 166 44 44 GLY C C 173.3 0.3 1 167 44 44 GLY CA C 44.3 0.3 1 168 44 44 GLY N N 112.2 0.3 1 169 45 45 GLU H H 8.68 0.02 1 170 45 45 GLU C C 176.5 0.3 1 171 45 45 GLU CA C 58.0 0.3 1 172 45 45 GLU CB C 29.4 0.3 1 173 45 45 GLU N N 122.4 0.3 1 174 46 46 SER H H 7.96 0.02 1 175 46 46 SER C C 171.7 0.3 1 176 46 46 SER CA C 56.6 0.3 1 177 46 46 SER CB C 65.2 0.3 1 178 46 46 SER N N 112.9 0.3 1 179 47 47 ILE H H 9.20 0.02 1 180 47 47 ILE C C 172.3 0.3 1 181 47 47 ILE CA C 59.9 0.3 1 182 47 47 ILE CB C 42.4 0.3 1 183 47 47 ILE N N 119.3 0.3 1 184 48 48 VAL H H 7.75 0.02 1 185 48 48 VAL C C 176.1 0.3 1 186 48 48 VAL CA C 61.7 0.3 1 187 48 48 VAL CB C 32.3 0.3 1 188 48 48 VAL N N 124.4 0.3 1 189 49 49 ILE H H 9.12 0.02 1 190 49 49 ILE C C 176.5 0.3 1 191 49 49 ILE CA C 60.0 0.3 1 192 49 49 ILE CB C 39.8 0.3 1 193 49 49 ILE N N 127.2 0.3 1 194 50 50 ASP H H 9.70 0.02 1 195 50 50 ASP C C 176.1 0.3 1 196 50 50 ASP CA C 55.5 0.3 1 197 50 50 ASP CB C 39.6 0.3 1 198 50 50 ASP N N 130.6 0.3 1 199 51 51 GLY H H 7.98 0.02 1 200 51 51 GLY C C 173.7 0.3 1 201 51 51 GLY CA C 45.5 0.3 1 202 51 51 GLY N N 102.2 0.3 1 203 52 52 LYS H H 7.95 0.02 1 204 52 52 LYS C C 174.5 0.3 1 205 52 52 LYS CA C 54.3 0.3 1 206 52 52 LYS CB C 34.1 0.3 1 207 52 52 LYS N N 122.6 0.3 1 208 53 53 GLU H H 8.77 0.02 1 209 53 53 GLU C C 176.1 0.3 1 210 53 53 GLU CA C 57.3 0.3 1 211 53 53 GLU CB C 29.0 0.3 1 212 53 53 GLU N N 125.5 0.3 1 213 54 54 VAL H H 9.57 0.02 1 214 54 54 VAL C C 174.6 0.3 1 215 54 54 VAL CA C 61.3 0.3 1 216 54 54 VAL CB C 34.0 0.3 1 217 54 54 VAL N N 129.5 0.3 1 218 55 55 GLU H H 9.06 0.02 1 219 55 55 GLU C C 175.1 0.3 1 220 55 55 GLU CA C 57.5 0.3 1 221 55 55 GLU CB C 30.0 0.3 1 222 55 55 GLU N N 127.5 0.3 1 223 56 56 ILE H H 8.06 0.02 1 224 56 56 ILE C C 176.4 0.3 1 225 56 56 ILE CA C 60.6 0.3 1 226 56 56 ILE CB C 37.4 0.3 1 227 56 56 ILE N N 123.9 0.3 1 228 57 57 LEU H H 8.95 0.02 1 229 57 57 LEU C C 176.8 0.3 1 230 57 57 LEU CA C 56.0 0.3 1 231 57 57 LEU CB C 42.3 0.3 1 232 57 57 LEU N N 129.1 0.3 1 233 58 58 ASP H H 7.51 0.02 1 234 58 58 ASP C C 172.5 0.3 1 235 58 58 ASP CA C 53.9 0.3 1 236 58 58 ASP CB C 43.9 0.3 1 237 58 58 ASP N N 116.9 0.3 1 238 59 59 ALA H H 8.14 0.02 1 239 59 59 ALA C C 175.7 0.3 1 240 59 59 ALA CA C 51.3 0.3 1 241 59 59 ALA CB C 20.8 0.3 1 242 59 59 ALA N N 125.0 0.3 1 243 60 60 LYS H H 8.79 0.02 1 244 60 60 LYS C C 173.7 0.3 1 245 60 60 LYS CA C 54.6 0.3 1 246 60 60 LYS CB C 34.5 0.3 1 247 60 60 LYS N N 124.3 0.3 1 248 61 61 ALA H H 8.75 0.02 1 249 61 61 ALA C C 177.8 0.3 1 250 61 61 ALA CA C 51.4 0.3 1 251 61 61 ALA CB C 18.3 0.3 1 252 61 61 ALA N N 131.2 0.3 1 253 62 62 LEU H H 9.05 0.02 1 254 62 62 LEU C C 176.9 0.3 1 255 62 62 LEU CA C 55.6 0.3 1 256 62 62 LEU CB C 43.4 0.3 1 257 62 62 LEU N N 124.1 0.3 1 258 63 63 GLU H H 8.29 0.02 1 259 63 63 GLU C C 175.6 0.3 1 260 63 63 GLU CA C 54.0 0.3 1 261 63 63 GLU CB C 33.8 0.3 1 262 63 63 GLU N N 121.3 0.3 1 263 64 64 ASP H H 8.70 0.02 1 264 64 64 ASP C C 176.9 0.3 1 265 64 64 ASP CA C 52.3 0.3 1 266 64 64 ASP CB C 39.7 0.3 1 267 64 64 ASP N N 120.4 0.3 1 268 65 65 GLN H H 8.94 0.02 1 269 65 65 GLN C C 176.0 0.3 1 270 65 65 GLN CA C 58.6 0.3 1 271 65 65 GLN N N 118.9 0.3 1 272 66 66 ALA H H 8.04 0.02 1 273 66 66 ALA C C 177.6 0.3 1 274 66 66 ALA CA C 51.3 0.3 1 275 66 66 ALA CB C 18.6 0.3 1 276 66 66 ALA N N 123.2 0.3 1 277 67 67 GLY H H 8.13 0.02 1 278 67 67 GLY C C 174.2 0.3 1 279 67 67 GLY CA C 45.1 0.3 1 280 67 67 GLY N N 109.0 0.3 1 281 68 68 THR H H 8.65 0.02 1 282 68 68 THR C C 174.1 0.3 1 283 68 68 THR CA C 62.7 0.3 1 284 68 68 THR CB C 66.7 0.3 1 285 68 68 THR N N 120.6 0.3 1 286 69 69 ASN H H 8.72 0.02 1 287 69 69 ASN C C 174.4 0.3 1 288 69 69 ASN CA C 55.6 0.3 1 289 69 69 ASN CB C 40.6 0.3 1 290 69 69 ASN N N 126.1 0.3 1 291 70 70 LEU H H 7.73 0.02 1 292 70 70 LEU C C 176.5 0.3 1 293 70 70 LEU CA C 54.3 0.3 1 294 70 70 LEU CB C 43.0 0.3 1 295 70 70 LEU N N 122.4 0.3 1 296 71 71 GLU H H 8.05 0.02 1 297 71 71 GLU C C 175.0 0.3 1 298 71 71 GLU CA C 55.5 0.3 1 299 71 71 GLU N N 116.7 0.3 1 300 72 72 ILE H H 6.44 0.02 1 301 72 72 ILE C C 174.6 0.3 1 302 72 72 ILE CA C 60.1 0.3 1 303 72 72 ILE N N 116.7 0.3 1 304 73 73 THR H H 8.98 0.02 1 305 73 73 THR C C 172.7 0.3 1 306 73 73 THR CA C 61.5 0.3 1 307 73 73 THR CB C 70.5 0.3 1 308 73 73 THR N N 124.1 0.3 1 309 74 74 ILE H H 8.88 0.02 1 310 74 74 ILE C C 176.9 0.3 1 311 74 74 ILE CA C 57.2 0.3 1 312 74 74 ILE N N 127.2 0.3 1 313 75 75 ILE H H 9.58 0.02 1 314 75 75 ILE C C 173.4 0.3 1 315 75 75 ILE CA C 59.2 0.3 1 316 75 75 ILE CB C 40.2 0.3 1 317 75 75 ILE N N 127.3 0.3 1 318 76 76 THR H H 8.63 0.02 1 319 76 76 THR C C 175.0 0.3 1 320 76 76 THR CA C 61.1 0.3 1 321 76 76 THR CB C 69.1 0.3 1 322 76 76 THR N N 119.0 0.3 1 323 77 77 LEU H H 9.38 0.02 1 324 77 77 LEU C C 176.0 0.3 1 325 77 77 LEU CA C 53.9 0.3 1 326 77 77 LEU CB C 44.5 0.3 1 327 77 77 LEU N N 126.9 0.3 1 328 78 78 LYS H H 8.66 0.02 1 329 78 78 LYS C C 173.5 0.3 1 330 78 78 LYS CA C 55.1 0.3 1 331 78 78 LYS CB C 30.7 0.3 1 332 78 78 LYS N N 124.8 0.3 1 333 79 79 ARG H H 7.59 0.02 1 334 79 79 ARG CA C 54.5 0.3 1 335 79 79 ARG CB C 33.0 0.3 1 336 79 79 ARG N N 123.8 0.3 1 337 81 81 GLU H H 8.20 0.02 1 338 81 81 GLU C C 175.7 0.3 1 339 81 81 GLU CA C 57.1 0.3 1 340 81 81 GLU CB C 29.0 0.3 1 341 81 81 GLU N N 121.2 0.3 1 342 82 82 LYS H H 8.61 0.02 1 343 82 82 LYS C C 177.6 0.3 1 344 82 82 LYS CA C 54.3 0.3 1 345 82 82 LYS CB C 34.3 0.3 1 346 82 82 LYS N N 123.4 0.3 1 347 83 83 PHE H H 9.39 0.02 1 348 83 83 PHE C C 176.3 0.3 1 349 83 83 PHE CA C 57.7 0.3 1 350 83 83 PHE CB C 38.6 0.3 1 351 83 83 PHE N N 123.7 0.3 1 352 84 84 ARG H H 8.87 0.02 1 353 84 84 ARG C C 175.9 0.3 1 354 84 84 ARG CA C 56.5 0.3 1 355 84 84 ARG CB C 28.8 0.3 1 356 84 84 ARG N N 125.8 0.3 1 357 85 85 ASP H H 8.65 0.02 1 358 85 85 ASP C C 177.3 0.3 1 359 85 85 ASP CA C 53.8 0.3 1 360 85 85 ASP CB C 39.3 0.3 1 361 85 85 ASP N N 125.2 0.3 1 362 86 86 ILE H H 9.03 0.02 1 363 86 86 ILE C C 177.7 0.3 1 364 86 86 ILE CA C 59.9 0.3 1 365 86 86 ILE CB C 37.8 0.3 1 366 86 86 ILE N N 121.5 0.3 1 367 87 87 ARG H H 8.89 0.02 1 368 87 87 ARG CA C 62.4 0.3 1 369 87 87 ARG N N 124.5 0.3 1 370 89 89 HIS H H 8.21 0.02 1 371 89 89 HIS C C 174.5 0.3 1 372 89 89 HIS CA C 56.3 0.3 1 373 89 89 HIS CB C 30.9 0.3 1 374 89 89 HIS N N 115.4 0.3 1 375 90 90 ILE H H 8.03 0.02 1 376 90 90 ILE CA C 57.8 0.3 1 377 90 90 ILE CB C 38.6 0.3 1 378 90 90 ILE N N 125.2 0.3 1 379 92 92 THR H H 8.65 0.02 1 380 92 92 THR C C 174.9 0.3 1 381 92 92 THR CA C 63.2 0.3 1 382 92 92 THR CB C 68.4 0.3 1 383 92 92 THR N N 109.9 0.3 1 384 93 93 GLN H H 7.55 0.02 1 385 93 93 GLN C C 174.5 0.3 1 386 93 93 GLN CA C 53.0 0.3 1 387 93 93 GLN CB C 30.9 0.3 1 388 93 93 GLN N N 118.6 0.3 1 389 94 94 ILE H H 8.56 0.02 1 390 94 94 ILE C C 176.6 0.3 1 391 94 94 ILE CA C 64.1 0.3 1 392 94 94 ILE CB C 36.5 0.3 1 393 94 94 ILE N N 122.9 0.3 1 394 95 95 THR H H 8.92 0.02 1 395 95 95 THR C C 170.2 0.3 1 396 95 95 THR CA C 63.2 0.3 1 397 95 95 THR CB C 71.5 0.3 1 398 95 95 THR N N 129.1 0.3 1 399 96 96 GLU H H 7.92 0.02 1 400 96 96 GLU C C 176.4 0.3 1 401 96 96 GLU CA C 54.6 0.3 1 402 96 96 GLU CB C 31.6 0.3 1 403 96 96 GLU N N 120.6 0.3 1 404 97 97 THR H H 8.17 0.02 1 405 97 97 THR CA C 60.4 0.3 1 406 97 97 THR CB C 68.3 0.3 1 407 97 97 THR N N 111.5 0.3 1 408 99 99 ASP H H 8.32 0.02 1 409 99 99 ASP C C 174.4 0.3 1 410 99 99 ASP CA C 52.8 0.3 1 411 99 99 ASP CB C 41.5 0.3 1 412 99 99 ASP N N 122.9 0.3 1 413 100 100 GLY H H 8.90 0.02 1 414 100 100 GLY C C 174.3 0.3 1 415 100 100 GLY CA C 44.7 0.3 1 416 100 100 GLY N N 111.5 0.3 1 417 101 101 VAL H H 8.90 0.02 1 418 101 101 VAL C C 172.9 0.3 1 419 101 101 VAL CA C 61.5 0.3 1 420 101 101 VAL CB C 33.7 0.3 1 421 101 101 VAL N N 126.0 0.3 1 422 102 102 LEU H H 8.84 0.02 1 423 102 102 LEU C C 174.2 0.3 1 424 102 102 LEU CA C 53.4 0.3 1 425 102 102 LEU CB C 42.9 0.3 1 426 102 102 LEU N N 129.3 0.3 1 427 103 103 ILE H H 9.39 0.02 1 428 103 103 ILE C C 174.9 0.3 1 429 103 103 ILE CA C 60.5 0.3 1 430 103 103 ILE CB C 39.8 0.3 1 431 103 103 ILE N N 128.1 0.3 1 432 104 104 VAL H H 8.75 0.02 1 433 104 104 VAL C C 173.9 0.3 1 434 104 104 VAL CA C 60.0 0.3 1 435 104 104 VAL CB C 35.3 0.3 1 436 104 104 VAL N N 127.1 0.3 1 437 105 105 ASN H H 8.71 0.02 1 438 105 105 ASN C C 172.7 0.3 1 439 105 105 ASN CA C 53.4 0.3 1 440 105 105 ASN CB C 38.8 0.3 1 441 105 105 ASN N N 123.4 0.3 1 442 106 106 THR H H 7.97 0.02 1 443 106 106 THR C C 174.1 0.3 1 444 106 106 THR CA C 59.5 0.3 1 445 106 106 THR CB C 71.7 0.3 1 446 106 106 THR N N 117.8 0.3 1 447 107 107 SER H H 9.55 0.02 1 448 107 107 SER C C 176.3 0.3 1 449 107 107 SER CA C 61.8 0.3 1 450 107 107 SER N N 115.3 0.3 1 451 108 108 LYS H H 7.33 0.02 1 452 108 108 LYS C C 175.5 0.3 1 453 108 108 LYS CA C 57.1 0.3 1 454 108 108 LYS CB C 32.4 0.3 1 455 108 108 LYS N N 121.4 0.3 1 456 109 109 TYR H H 6.94 0.02 1 457 109 109 TYR CA C 54.2 0.3 1 458 109 109 TYR CB C 38.5 0.3 1 459 109 109 TYR N N 118.1 0.3 1 460 112 112 MET H H 8.12 0.02 1 461 112 112 MET C C 174.4 0.3 1 462 112 112 MET CA C 53.4 0.3 1 463 112 112 MET N N 128.4 0.3 1 464 113 113 TYR H H 10.21 0.02 1 465 113 113 TYR CA C 59.1 0.3 1 466 113 113 TYR N N 131.1 0.3 1 467 116 116 VAL H H 7.90 0.02 1 468 116 116 VAL C C 175.8 0.3 1 469 116 116 VAL CA C 60.8 0.3 1 470 116 116 VAL CB C 31.4 0.3 1 471 116 116 VAL N N 117.4 0.3 1 472 117 117 GLY H H 8.23 0.02 1 473 117 117 GLY C C 173.4 0.3 1 474 117 117 GLY CA C 45.3 0.3 1 475 117 117 GLY N N 111.7 0.3 1 476 118 118 ALA H H 8.31 0.02 1 477 118 118 ALA C C 178.0 0.3 1 478 118 118 ALA CA C 53.1 0.3 1 479 118 118 ALA CB C 18.2 0.3 1 480 118 118 ALA N N 126.7 0.3 1 481 119 119 VAL H H 9.12 0.02 1 482 119 119 VAL C C 175.9 0.3 1 483 119 119 VAL CA C 61.3 0.3 1 484 119 119 VAL CB C 32.8 0.3 1 485 119 119 VAL N N 126.9 0.3 1 486 120 120 THR H H 8.97 0.02 1 487 120 120 THR C C 174.4 0.3 1 488 120 120 THR CA C 59.1 0.3 1 489 120 120 THR CB C 71.8 0.3 1 490 120 120 THR N N 117.2 0.3 1 491 121 121 GLU H H 10.23 0.02 1 492 121 121 GLU C C 175.9 0.3 1 493 121 121 GLU CA C 58.9 0.3 1 494 121 121 GLU CB C 29.4 0.3 1 495 121 121 GLU N N 124.5 0.3 1 496 122 122 GLN H H 8.84 0.02 1 497 122 122 GLN C C 175.8 0.3 1 498 122 122 GLN CA C 55.2 0.3 1 499 122 122 GLN CB C 29.0 0.3 1 500 122 122 GLN N N 128.4 0.3 1 501 123 123 GLY H H 8.49 0.02 1 502 123 123 GLY CA C 45.6 0.3 1 503 123 123 GLY N N 109.2 0.3 1 504 126 126 ASN H H 8.64 0.02 1 505 126 126 ASN C C 175.2 0.3 1 506 126 126 ASN CA C 58.8 0.3 1 507 126 126 ASN N N 128.1 0.3 1 508 127 127 LEU H H 8.82 0.02 1 509 127 127 LEU CA C 53.5 0.3 1 510 127 127 LEU N N 125.4 0.3 1 511 132 132 THR H H 7.73 0.02 1 512 132 132 THR C C 178.2 0.3 1 513 132 132 THR CA C 62.7 0.3 1 514 132 132 THR CB C 69.0 0.3 1 515 132 132 THR N N 118.8 0.3 1 516 133 133 ALA H H 8.98 0.02 1 517 133 133 ALA C C 172.1 0.3 1 518 133 133 ALA CA C 54.0 0.3 1 519 133 133 ALA N N 121.0 0.3 1 520 134 134 ARG H H 8.19 0.02 1 521 134 134 ARG C C 173.9 0.3 1 522 134 134 ARG CA C 55.6 0.3 1 523 134 134 ARG N N 119.9 0.3 1 524 135 135 THR H H 8.22 0.02 1 525 135 135 THR C C 176.4 0.3 1 526 135 135 THR CA C 61.2 0.3 1 527 135 135 THR N N 105.2 0.3 1 528 136 136 LEU H H 9.71 0.02 1 529 136 136 LEU C C 175.6 0.3 1 530 136 136 LEU CA C 52.9 0.3 1 531 136 136 LEU CB C 45.3 0.3 1 532 136 136 LEU N N 123.5 0.3 1 533 137 137 MET H H 9.81 0.02 1 534 137 137 MET C C 174.2 0.3 1 535 137 137 MET CA C 54.1 0.3 1 536 137 137 MET CB C 37.6 0.3 1 537 137 137 MET N N 120.8 0.3 1 538 138 138 TYR H H 7.74 0.02 1 539 138 138 TYR CA C 53.9 0.3 1 540 138 138 TYR N N 119.7 0.3 1 541 142 142 THR H H 7.61 0.02 1 542 142 142 THR CA C 61.2 0.3 1 543 142 142 THR CB C 67.8 0.3 1 544 142 142 THR N N 125.0 0.3 1 545 147 147 ALA H H 8.35 0.02 1 546 147 147 ALA C C 178.3 0.3 1 547 147 147 ALA CA C 54.1 0.3 1 548 147 147 ALA N N 124.0 0.3 1 549 148 148 GLY H H 9.72 0.02 1 550 148 148 GLY C C 172.4 0.3 1 551 148 148 GLY CA C 44.7 0.3 1 552 148 148 GLY N N 115.9 0.3 1 553 149 149 GLY H H 8.39 0.02 1 554 149 149 GLY C C 171.8 0.3 1 555 149 149 GLY CA C 46.2 0.3 1 556 149 149 GLY N N 104.2 0.3 1 557 150 150 VAL H H 8.75 0.02 1 558 150 150 VAL C C 174.4 0.3 1 559 150 150 VAL CA C 61.7 0.3 1 560 150 150 VAL CB C 35.3 0.3 1 561 150 150 VAL N N 122.9 0.3 1 562 151 151 ILE H H 8.55 0.02 1 563 151 151 ILE C C 176.1 0.3 1 564 151 151 ILE CA C 57.6 0.3 1 565 151 151 ILE CB C 36.7 0.3 1 566 151 151 ILE N N 125.6 0.3 1 567 152 152 THR H H 9.35 0.02 1 568 152 152 THR C C 174.6 0.3 1 569 152 152 THR CA C 59.6 0.3 1 570 152 152 THR CB C 70.3 0.3 1 571 152 152 THR N N 118.1 0.3 1 572 153 153 SER H H 8.80 0.02 1 573 153 153 SER CA C 56.7 0.3 1 574 153 153 SER CB C 64.8 0.3 1 575 153 153 SER N N 114.2 0.3 1 576 156 156 LYS H H 7.87 0.02 1 577 156 156 LYS C C 174.7 0.3 1 578 156 156 LYS CA C 54.6 0.3 1 579 156 156 LYS CB C 37.1 0.3 1 580 156 156 LYS N N 119.5 0.3 1 581 157 157 VAL H H 8.39 0.02 1 582 157 157 VAL C C 175.0 0.3 1 583 157 157 VAL CA C 62.5 0.3 1 584 157 157 VAL CB C 31.6 0.3 1 585 157 157 VAL N N 123.8 0.3 1 586 158 158 ILE H H 8.14 0.02 1 587 158 158 ILE C C 177.7 0.3 1 588 158 158 ILE CA C 61.6 0.3 1 589 158 158 ILE CB C 39.5 0.3 1 590 158 158 ILE N N 113.8 0.3 1 591 159 159 GLY H H 7.93 0.02 1 592 159 159 GLY C C 169.7 0.3 1 593 159 159 GLY CA C 46.0 0.3 1 594 159 159 GLY N N 108.7 0.3 1 595 160 160 MET H H 9.01 0.02 1 596 160 160 MET C C 177.6 0.3 1 597 160 160 MET CA C 53.6 0.3 1 598 160 160 MET CB C 34.9 0.3 1 599 160 160 MET N N 122.3 0.3 1 600 161 161 HIS H H 8.64 0.02 1 601 161 161 HIS C C 173.2 0.3 1 602 161 161 HIS CA C 60.3 0.3 1 603 161 161 HIS N N 125.4 0.3 1 604 162 162 VAL H H 8.05 0.02 1 605 162 162 VAL C C 174.9 0.3 1 606 162 162 VAL CA C 55.4 0.3 1 607 162 162 VAL N N 125.5 0.3 1 608 163 163 GLY H H 7.02 0.02 1 609 163 163 GLY C C 169.7 0.3 1 610 163 163 GLY CA C 45.4 0.3 1 611 163 163 GLY N N 107.2 0.3 1 612 164 164 GLY H H 8.39 0.02 1 613 164 164 GLY C C 172.5 0.3 1 614 164 164 GLY CA C 46.2 0.3 1 615 164 164 GLY N N 106.2 0.3 1 616 165 165 ASN H H 8.46 0.02 1 617 165 165 ASN CA C 51.8 0.3 1 618 165 165 ASN CB C 39.2 0.3 1 619 165 165 ASN N N 117.8 0.3 1 620 168 168 HIS H H 8.57 0.02 1 621 168 168 HIS C C 174.5 0.3 1 622 168 168 HIS CA C 55.8 0.3 1 623 168 168 HIS CB C 33.8 0.3 1 624 168 168 HIS N N 121.9 0.3 1 625 169 169 GLY H H 8.82 0.02 1 626 169 169 GLY C C 169.5 0.3 1 627 169 169 GLY CA C 43.7 0.3 1 628 169 169 GLY N N 109.3 0.3 1 629 170 170 PHE H H 8.22 0.02 1 630 170 170 PHE C C 174.0 0.3 1 631 170 170 PHE CA C 54.6 0.3 1 632 170 170 PHE N N 115.6 0.3 1 633 171 171 ALA H H 9.24 0.02 1 634 171 171 ALA C C 176.8 0.3 1 635 171 171 ALA CA C 49.6 0.3 1 636 171 171 ALA CB C 22.9 0.3 1 637 171 171 ALA N N 122.4 0.3 1 638 172 172 ALA H H 9.09 0.02 1 639 172 172 ALA C C 177.5 0.3 1 640 172 172 ALA CA C 51.6 0.3 1 641 172 172 ALA CB C 20.7 0.3 1 642 172 172 ALA N N 125.0 0.3 1 643 173 173 ALA H H 8.37 0.02 1 644 173 173 ALA C C 177.1 0.3 1 645 173 173 ALA CA C 52.7 0.3 1 646 173 173 ALA CB C 20.1 0.3 1 647 173 173 ALA N N 126.7 0.3 1 648 174 174 LEU H H 7.74 0.02 1 649 174 174 LEU C C 175.8 0.3 1 650 174 174 LEU CA C 53.8 0.3 1 651 174 174 LEU N N 119.2 0.3 1 652 175 175 LYS H H 10.00 0.02 1 653 175 175 LYS C C 173.5 0.3 1 654 175 175 LYS CA C 52.7 0.3 1 655 175 175 LYS CB C 38.2 0.3 1 656 175 175 LYS N N 123.8 0.3 1 657 176 176 ARG H H 7.88 0.02 1 658 176 176 ARG CA C 56.1 0.3 1 659 176 176 ARG N N 125.8 0.3 1 660 178 178 TYR H H 7.20 0.02 1 661 178 178 TYR C C 175.9 0.3 1 662 178 178 TYR CA C 55.9 0.3 1 663 178 178 TYR CB C 35.3 0.3 1 664 178 178 TYR N N 120.9 0.3 1 665 179 179 PHE H H 7.82 0.02 1 666 179 179 PHE CA C 56.6 0.3 1 667 179 179 PHE CB C 40.7 0.3 1 668 179 179 PHE N N 114.1 0.3 1 669 180 180 THR H H 8.06 0.02 1 670 180 180 THR C C 172.2 0.3 1 671 180 180 THR CA C 61.8 0.3 1 672 180 180 THR N N 114.8 0.3 1 673 181 181 GLN H H 8.13 0.02 1 674 181 181 GLN CA C 50.4 0.3 1 675 181 181 GLN CB C 22.4 0.3 1 676 181 181 GLN N N 128.2 0.3 1 stop_ save_