data_27531 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of Macrophage infectivity potentiator virulence factor of Trypanosoma cruzi ; _BMRB_accession_number 27531 _BMRB_flat_file_name bmr27531.str _Entry_type original _Submission_date 2018-07-02 _Accession_date 2018-07-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Antiparra Ricardo . . 2 Lippens Guy . . 3 Zimic Mirko . . 4 Sheen Patricia . . 5 Maruenda Helena . . 6 Lopez Juan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 142 "13C chemical shifts" 433 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-11 update BMRB 'update entry citation' 2019-01-10 original author 'original release' stop_ _Original_release_date 2018-07-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone chemical shift assignment of macrophage infectivity potentiator virulence factor of Trypanosoma cruzi ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30229449 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lopez Juan . . 2 Antiparra Ricardo . . 3 Lippens Guy . . 4 Zimic Mirko . . 5 Sheen Patricia . . 6 Maruenda Helena . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21 _Page_last 25 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TcMIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TcMIP $TcMIP 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_TcMIP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TcMIP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; SGDAASHEERMNNYRKRVGR LFMEQKAAQPDAVKLPSGLV FQRIARGSGKRAPAIDDKCE VHYTGRLRDGTVFDSSRERG KPTTFRPNEVIKGWTEALQL MREGDRWRLFIPYDLAYGVT GGGGMIPPYSPLEFDVELIS IKDGGKGRTAEEVDEILRKA EEDREDMHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 30 SER 2 31 GLY 3 32 ASP 4 33 ALA 5 34 ALA 6 35 SER 7 36 HIS 8 37 GLU 9 38 GLU 10 39 ARG 11 40 MET 12 41 ASN 13 42 ASN 14 43 TYR 15 44 ARG 16 45 LYS 17 46 ARG 18 47 VAL 19 48 GLY 20 49 ARG 21 50 LEU 22 51 PHE 23 52 MET 24 53 GLU 25 54 GLN 26 55 LYS 27 56 ALA 28 57 ALA 29 58 GLN 30 59 PRO 31 60 ASP 32 61 ALA 33 62 VAL 34 63 LYS 35 64 LEU 36 65 PRO 37 66 SER 38 67 GLY 39 68 LEU 40 69 VAL 41 70 PHE 42 71 GLN 43 72 ARG 44 73 ILE 45 74 ALA 46 75 ARG 47 76 GLY 48 77 SER 49 78 GLY 50 79 LYS 51 80 ARG 52 81 ALA 53 82 PRO 54 83 ALA 55 84 ILE 56 85 ASP 57 86 ASP 58 87 LYS 59 88 CYS 60 89 GLU 61 90 VAL 62 91 HIS 63 92 TYR 64 93 THR 65 94 GLY 66 95 ARG 67 96 LEU 68 97 ARG 69 98 ASP 70 99 GLY 71 100 THR 72 101 VAL 73 102 PHE 74 103 ASP 75 104 SER 76 105 SER 77 106 ARG 78 107 GLU 79 108 ARG 80 109 GLY 81 110 LYS 82 111 PRO 83 112 THR 84 113 THR 85 114 PHE 86 115 ARG 87 116 PRO 88 117 ASN 89 118 GLU 90 119 VAL 91 120 ILE 92 121 LYS 93 122 GLY 94 123 TRP 95 124 THR 96 125 GLU 97 126 ALA 98 127 LEU 99 128 GLN 100 129 LEU 101 130 MET 102 131 ARG 103 132 GLU 104 133 GLY 105 134 ASP 106 135 ARG 107 136 TRP 108 137 ARG 109 138 LEU 110 139 PHE 111 140 ILE 112 141 PRO 113 142 TYR 114 143 ASP 115 144 LEU 116 145 ALA 117 146 TYR 118 147 GLY 119 148 VAL 120 149 THR 121 150 GLY 122 151 GLY 123 152 GLY 124 153 GLY 125 154 MET 126 155 ILE 127 156 PRO 128 157 PRO 129 158 TYR 130 159 SER 131 160 PRO 132 161 LEU 133 162 GLU 134 163 PHE 135 164 ASP 136 165 VAL 137 166 GLU 138 167 LEU 139 168 ILE 140 169 SER 141 170 ILE 142 171 LYS 143 172 ASP 144 173 GLY 145 174 GLY 146 175 LYS 147 176 GLY 148 177 ARG 149 178 THR 150 179 ALA 151 180 GLU 152 181 GLU 153 182 VAL 154 183 ASP 155 184 GLU 156 185 ILE 157 186 LEU 158 187 ARG 159 188 LYS 160 189 ALA 161 190 GLU 162 191 GLU 163 192 ASP 164 193 ARG 165 194 GLU 166 195 ASP 167 196 MET 168 197 HIS 169 198 HIS 170 199 HIS 171 200 HIS 172 201 HIS 173 202 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TcMIP 'Trypanosoma Cruzi' 5693 Eukaryota . Trypanosoma Cruzi 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 $TcMIP 'recombinant technology' . Escherichia coli . pET24a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM buffer phosphate, pH 6.5, 2.5 mM EDTA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TcMIP 0.75 mM '[U-13C; U-15N]' 'buffer phosphate' 50 mM 'natural abundance' EDTA 2.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '50 mM buffer phosphate, pH 6.5, 2.5 mM EDTA' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TcMIP 1 mM '[U-13C; U-15N]' 'buffer phosphate' 50 mM 'natural abundance' EDTA 2.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_EKNAS _Saveframe_category software _Name EKNAS _Version . loop_ _Vendor _Address _Electronic_address EKNAS . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SHIFTX2 _Saveframe_category software _Name SHIFTX2 _Version . loop_ _Vendor _Address _Electronic_address SHIFTX2 . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50 mM buffer phosphate, pH 6.5, 2.5 mM EDTA' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details '50 mM buffer phosphate, pH 6.5, 2.5 mM EDTA' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCO' '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 TcMIP _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 30 1 SER H H 8.46 . 1 2 30 1 SER C C 175.3 . 1 3 30 1 SER CA C 58.16 . 1 4 30 1 SER CB C 63.82 . 1 5 30 1 SER N N 116.6 . 1 6 31 2 GLY H H 8.68 . 1 7 31 2 GLY C C 174.3 . 1 8 31 2 GLY CA C 45.43 . 1 9 31 2 GLY N N 111.1 . 1 10 32 3 ASP H H 8.39 . 1 11 32 3 ASP C C 176.4 . 1 12 32 3 ASP CA C 54.30 . 1 13 32 3 ASP CB C 41.28 . 1 14 32 3 ASP N N 120.6 . 1 15 33 4 ALA H H 8.44 . 1 16 33 4 ALA C C 178.4 . 1 17 33 4 ALA CA C 53.46 . 1 18 33 4 ALA CB C 18.81 . 1 19 33 4 ALA N N 124.7 . 1 20 34 5 ALA H H 8.33 . 1 21 34 5 ALA C C 178.8 . 1 22 34 5 ALA CA C 53.43 . 1 23 34 5 ALA CB C 18.79 . 1 24 34 5 ALA N N 122.3 . 1 25 35 6 SER H H 8.28 . 1 26 35 6 SER C C 175.5 . 1 27 35 6 SER CA C 58.98 . 1 28 35 6 SER CB C 63.79 . 1 29 35 6 SER N N 115.2 . 1 30 36 7 HIS H H 8.56 . 1 31 36 7 HIS C C 177.0 . 1 32 36 7 HIS CA C 59.07 . 1 33 36 7 HIS CB C 29.93 . 1 34 36 7 HIS N N 122.2 . 1 35 37 8 GLU H H 8.48 . 1 36 37 8 GLU C C 178.0 . 1 37 37 8 GLU CA C 59.02 . 1 38 37 8 GLU CB C 29.50 . 1 39 37 8 GLU N N 120.1 . 1 40 38 9 GLU H H 8.09 . 1 41 38 9 GLU C C 178.8 . 1 42 38 9 GLU CA C 59.07 . 1 43 38 9 GLU CB C 29.46 . 1 44 38 9 GLU N N 120.1 . 1 45 40 11 MET C C 178.8 . 1 46 40 11 MET CA C 57.04 . 1 47 40 11 MET CB C 31.23 . 1 48 41 12 ASN H H 8.63 . 1 49 41 12 ASN C C 177.2 . 1 50 41 12 ASN CA C 55.91 . 1 51 41 12 ASN CB C 37.40 . 1 52 41 12 ASN N N 120.3 . 1 53 42 13 ASN H H 8.40 . 1 54 42 13 ASN C C 178.0 . 1 55 42 13 ASN CA C 56.19 . 1 56 42 13 ASN CB C 37.64 . 1 57 42 13 ASN N N 120.0 . 1 58 43 14 TYR H H 7.96 . 1 59 43 14 TYR C C 176.7 . 1 60 43 14 TYR CA C 61.57 . 1 61 43 14 TYR CB C 37.65 . 1 62 43 14 TYR N N 122.6 . 1 63 44 15 ARG H H 8.57 . 1 64 44 15 ARG C C 180.2 . 1 65 44 15 ARG CA C 59.91 . 1 66 44 15 ARG CB C 30.59 . 1 67 44 15 ARG N N 119.0 . 1 68 45 16 LYS H H 8.30 . 1 69 45 16 LYS C C 178.9 . 1 70 45 16 LYS CA C 59.94 . 1 71 45 16 LYS CB C 32.55 . 1 72 45 16 LYS N N 119.7 . 1 73 46 17 ARG H H 7.70 . 1 74 46 17 ARG C C 179.0 . 1 75 46 17 ARG CA C 59.72 . 1 76 46 17 ARG CB C 30.02 . 1 77 46 17 ARG N N 120.9 . 1 78 47 18 VAL H H 8.50 . 1 79 47 18 VAL C C 179.5 . 1 80 47 18 VAL CA C 65.62 . 1 81 47 18 VAL CB C 31.12 . 1 82 47 18 VAL N N 115.9 . 1 83 48 19 GLY H H 8.28 . 1 84 48 19 GLY C C 175.5 . 1 85 48 19 GLY CA C 47.16 . 1 86 48 19 GLY N N 110.9 . 1 87 49 20 ARG H H 7.82 . 1 88 49 20 ARG C C 178.8 . 1 89 49 20 ARG CA C 59.44 . 1 90 49 20 ARG CB C 29.81 . 1 91 49 20 ARG N N 122.6 . 1 92 50 21 LEU H H 8.00 . 1 93 50 21 LEU C C 178.9 . 1 94 50 21 LEU CA C 58.08 . 1 95 50 21 LEU CB C 41.57 . 1 96 50 21 LEU N N 119.7 . 1 97 51 22 PHE H H 7.94 . 1 98 51 22 PHE C C 176.7 . 1 99 51 22 PHE CA C 61.24 . 1 100 51 22 PHE CB C 38.93 . 1 101 51 22 PHE N N 120.1 . 1 102 52 23 MET H H 7.90 . 1 103 52 23 MET C C 180.5 . 1 104 52 23 MET CA C 55.61 . 1 105 52 23 MET CB C 28.65 . 1 106 52 23 MET N N 117.0 . 1 107 53 24 GLU H H 8.62 . 1 108 53 24 GLU C C 179.6 . 1 109 53 24 GLU CA C 59.40 . 1 110 53 24 GLU CB C 29.49 . 1 111 53 24 GLU N N 121.2 . 1 112 54 25 GLN H H 8.22 . 1 113 54 25 GLN C C 179.8 . 1 114 54 25 GLN CA C 58.72 . 1 115 54 25 GLN CB C 27.94 . 1 116 54 25 GLN N N 119.7 . 1 117 55 26 LYS H H 7.89 . 1 118 55 26 LYS C C 179.3 . 1 119 55 26 LYS CA C 55.85 . 1 120 55 26 LYS CB C 29.41 . 1 121 55 26 LYS N N 117.2 . 1 122 56 27 ALA H H 7.85 . 1 123 56 27 ALA C C 176.8 . 1 124 56 27 ALA CA C 53.49 . 1 125 56 27 ALA CB C 18.20 . 1 126 56 27 ALA N N 118.9 . 1 127 57 28 ALA H H 7.04 . 1 128 57 28 ALA C C 178.0 . 1 129 57 28 ALA CA C 51.89 . 1 130 57 28 ALA CB C 18.42 . 1 131 57 28 ALA N N 117.2 . 1 132 58 29 GLN H H 7.01 . 1 133 58 29 GLN C C 175.7 . 1 134 58 29 GLN CA C 54.70 . 1 135 58 29 GLN CB C 29.36 . 1 136 58 29 GLN N N 119.0 . 1 137 59 30 PRO C C 176.4 . 1 138 59 30 PRO CA C 64.94 . 1 139 59 30 PRO CB C 31.61 . 1 140 60 31 ASP H H 8.45 . 1 141 60 31 ASP C C 175.1 . 1 142 60 31 ASP CA C 52.81 . 1 143 60 31 ASP CB C 39.63 . 1 144 60 31 ASP N N 114.4 . 1 145 61 32 ALA H H 7.44 . 1 146 61 32 ALA C C 176.9 . 1 147 61 32 ALA CA C 51.25 . 1 148 61 32 ALA CB C 20.67 . 1 149 61 32 ALA N N 122.8 . 1 150 62 33 VAL H H 8.65 . 1 151 62 33 VAL C C 173.0 . 1 152 62 33 VAL CA C 61.28 . 1 153 62 33 VAL CB C 32.76 . 1 154 62 33 VAL N N 124.3 . 1 155 63 34 LYS H H 8.28 . 1 156 63 34 LYS C C 176.0 . 1 157 63 34 LYS CA C 54.37 . 1 158 63 34 LYS CB C 34.55 . 1 159 63 34 LYS N N 126.6 . 1 160 64 35 LEU H H 9.03 . 1 161 64 35 LEU C C 177.1 . 1 162 64 35 LEU CA C 53.06 . 1 163 64 35 LEU CB C 40.25 . 1 164 64 35 LEU N N 127.5 . 1 165 65 36 PRO C C 177.6 . 1 166 65 36 PRO CA C 65.64 . 1 167 65 36 PRO CB C 31.59 . 1 168 66 37 SER H H 8.36 . 1 169 66 37 SER C C 175.5 . 1 170 66 37 SER CA C 59.03 . 1 171 66 37 SER CB C 62.81 . 1 172 66 37 SER N N 111.7 . 1 173 67 38 GLY H H 8.33 . 1 174 67 38 GLY C C 173.4 . 1 175 67 38 GLY CA C 44.12 . 1 176 67 38 GLY N N 109.5 . 1 177 68 39 LEU H H 7.51 . 1 178 68 39 LEU C C 174.2 . 1 179 68 39 LEU CA C 56.78 . 1 180 68 39 LEU CB C 43.36 . 1 181 68 39 LEU N N 121.6 . 1 182 69 40 VAL H H 8.19 . 1 183 69 40 VAL C C 174.5 . 1 184 69 40 VAL CA C 59.66 . 1 185 69 40 VAL CB C 35.15 . 1 186 69 40 VAL N N 125.4 . 1 187 70 41 PHE H H 9.09 . 1 188 70 41 PHE C C 173.4 . 1 189 70 41 PHE CA C 55.46 . 1 190 70 41 PHE CB C 44.13 . 1 191 70 41 PHE N N 121.9 . 1 192 71 42 GLN H H 9.22 . 1 193 71 42 GLN C C 175.4 . 1 194 71 42 GLN CA C 54.09 . 1 195 71 42 GLN CB C 34.06 . 1 196 71 42 GLN N N 116.9 . 1 197 72 43 ARG H H 9.09 . 1 198 72 43 ARG C C 175.9 . 1 199 72 43 ARG CA C 57.46 . 1 200 72 43 ARG CB C 30.43 . 1 201 72 43 ARG N N 123.4 . 1 202 73 44 ILE H H 9.12 . 1 203 73 44 ILE C C 176.0 . 1 204 73 44 ILE CA C 63.29 . 1 205 73 44 ILE CB C 38.71 . 1 206 73 44 ILE N N 126.0 . 1 207 74 45 ALA H H 8.96 . 1 208 74 45 ALA C C 176.4 . 1 209 74 45 ALA CA C 51.57 . 1 210 74 45 ALA CB C 22.69 . 1 211 74 45 ALA N N 121.2 . 1 212 75 46 ARG H H 8.84 . 1 213 75 46 ARG C C 176.7 . 1 214 75 46 ARG CA C 54.99 . 1 215 75 46 ARG CB C 31.32 . 1 216 75 46 ARG N N 122.7 . 1 217 76 47 GLY H H 9.91 . 1 218 76 47 GLY C C 173.8 . 1 219 76 47 GLY CA C 44.18 . 1 220 76 47 GLY N N 114.2 . 1 221 77 48 SER H H 8.48 . 1 222 77 48 SER C C 175.7 . 1 223 77 48 SER CA C 57.80 . 1 224 77 48 SER CB C 64.28 . 1 225 77 48 SER N N 112.8 . 1 226 78 49 GLY H H 8.33 . 1 227 78 49 GLY C C 173.5 . 1 228 78 49 GLY CA C 46.45 . 1 229 78 49 GLY N N 109.9 . 1 230 79 50 LYS H H 8.61 . 1 231 79 50 LYS C C 177.0 . 1 232 79 50 LYS CA C 56.38 . 1 233 79 50 LYS CB C 33.52 . 1 234 79 50 LYS N N 118.0 . 1 235 80 51 ARG H H 7.92 . 1 236 80 51 ARG C C 172.9 . 1 237 80 51 ARG CA C 54.36 . 1 238 80 51 ARG CB C 34.38 . 1 239 80 51 ARG N N 120.5 . 1 240 81 52 ALA H H 8.96 . 1 241 81 52 ALA C C 175.5 . 1 242 81 52 ALA CA C 49.42 . 1 243 81 52 ALA CB C 21.06 . 1 244 81 52 ALA N N 127.8 . 1 245 82 53 PRO C C 179.3 . 1 246 82 53 PRO CA C 62.04 . 1 247 82 53 PRO CB C 32.51 . 1 248 83 54 ALA H H 9.91 . 1 249 83 54 ALA C C 178.5 . 1 250 83 54 ALA CA C 50.54 . 1 251 83 54 ALA CB C 20.26 . 1 252 83 54 ALA N N 126.0 . 1 253 84 55 ILE H H 8.37 . 1 254 84 55 ILE C C 172.6 . 1 255 84 55 ILE CA C 62.81 . 1 256 84 55 ILE CB C 38.56 . 1 257 84 55 ILE N N 118.1 . 1 258 85 56 ASP H H 7.83 . 1 259 85 56 ASP C C 176.8 . 1 260 85 56 ASP CA C 51.23 . 1 261 85 56 ASP CB C 40.60 . 1 262 85 56 ASP N N 113.7 . 1 263 86 57 ASP H H 7.29 . 1 264 86 57 ASP C C 175.2 . 1 265 86 57 ASP CA C 51.23 . 1 266 86 57 ASP CB C 42.50 . 1 267 86 57 ASP N N 121.6 . 1 268 87 58 LYS H H 8.57 . 1 269 87 58 LYS C C 175.0 . 1 270 87 58 LYS CA C 57.48 . 1 271 87 58 LYS CB C 33.05 . 1 272 87 58 LYS N N 119.1 . 1 273 88 59 CYS H H 8.71 . 1 274 88 59 CYS C C 172.2 . 1 275 88 59 CYS CA C 58.26 . 1 276 88 59 CYS CB C 29.79 . 1 277 88 59 CYS N N 123.6 . 1 278 89 60 GLU H H 8.97 . 1 279 89 60 GLU C C 175.6 . 1 280 89 60 GLU CA C 55.28 . 1 281 89 60 GLU CB C 30.91 . 1 282 89 60 GLU N N 124.2 . 1 283 90 61 VAL H H 9.10 . 1 284 90 61 VAL C C 175.1 . 1 285 90 61 VAL CA C 59.86 . 1 286 90 61 VAL CB C 36.36 . 1 287 90 61 VAL N N 123.6 . 1 288 91 62 HIS H H 8.76 . 1 289 91 62 HIS C C 176.9 . 1 290 91 62 HIS CA C 53.24 . 1 291 91 62 HIS CB C 35.12 . 1 292 91 62 HIS N N 123.3 . 1 293 92 63 TYR H H 10.11 . 1 294 92 63 TYR C C 173.8 . 1 295 92 63 TYR CA C 56.17 . 1 296 92 63 TYR CB C 43.60 . 1 297 92 63 TYR N N 120.2 . 1 298 93 64 THR H H 8.55 . 1 299 93 64 THR C C 172.8 . 1 300 93 64 THR CA C 63.18 . 1 301 93 64 THR CB C 73.19 . 1 302 93 64 THR N N 116.1 . 1 303 94 65 GLY H H 9.37 . 1 304 94 65 GLY C C 171.2 . 1 305 94 65 GLY CA C 45.12 . 1 306 94 65 GLY N N 117.4 . 1 307 95 66 ARG H H 9.54 . 1 308 95 66 ARG C C 176.0 . 1 309 95 66 ARG CA C 54.09 . 1 310 95 66 ARG CB C 35.73 . 1 311 95 66 ARG N N 124.8 . 1 312 96 67 LEU H H 8.56 . 1 313 96 67 LEU C C 179.9 . 1 314 96 67 LEU CA C 53.78 . 1 315 96 67 LEU CB C 43.23 . 1 316 96 67 LEU N N 118.2 . 1 317 97 68 ARG H H 9.58 . 1 318 97 68 ARG C C 175.5 . 1 319 97 68 ARG CA C 58.19 . 1 320 97 68 ARG CB C 28.91 . 1 321 97 68 ARG N N 120.5 . 1 322 98 69 ASP H H 7.42 . 1 323 98 69 ASP C C 177.0 . 1 324 98 69 ASP CA C 52.96 . 1 325 98 69 ASP CB C 40.27 . 1 326 98 69 ASP N N 115.9 . 1 327 99 70 GLY H H 8.19 . 1 328 99 70 GLY C C 174.5 . 1 329 99 70 GLY CA C 44.96 . 1 330 99 70 GLY N N 108.7 . 1 331 100 71 THR H H 8.09 . 1 332 100 71 THR C C 174.4 . 1 333 100 71 THR CA C 64.58 . 1 334 100 71 THR CB C 69.28 . 1 335 100 71 THR N N 118.5 . 1 336 101 72 VAL H H 8.86 . 1 337 101 72 VAL C C 176.3 . 1 338 101 72 VAL CA C 62.53 . 1 339 101 72 VAL CB C 32.34 . 1 340 101 72 VAL N N 128.8 . 1 341 102 73 PHE H H 8.25 . 1 342 102 73 PHE C C 174.7 . 1 343 102 73 PHE CA C 57.10 . 1 344 102 73 PHE CB C 40.69 . 1 345 102 73 PHE N N 124.0 . 1 346 103 74 ASP H H 6.64 . 1 347 103 74 ASP C C 174.6 . 1 348 103 74 ASP CA C 54.99 . 1 349 103 74 ASP CB C 43.57 . 1 350 103 74 ASP N N 119.8 . 1 351 104 75 SER H H 8.26 . 1 352 104 75 SER CA C 56.44 . 1 353 104 75 SER CB C 64.00 . 1 354 104 75 SER N N 119.1 . 1 355 106 77 ARG H H 7.43 . 1 356 106 77 ARG C C 179.5 . 1 357 106 77 ARG CA C 59.35 . 1 358 106 77 ARG CB C 28.90 . 1 359 106 77 ARG N N 123.6 . 1 360 107 78 GLU H H 7.71 . 1 361 107 78 GLU C C 177.7 . 1 362 107 78 GLU CA C 58.13 . 1 363 107 78 GLU CB C 29.42 . 1 364 107 78 GLU N N 118.6 . 1 365 108 79 ARG H H 7.22 . 1 366 108 79 ARG C C 177.7 . 1 367 108 79 ARG CA C 57.79 . 1 368 108 79 ARG CB C 31.54 . 1 369 108 79 ARG N N 116.6 . 1 370 109 80 GLY H H 7.81 . 1 371 109 80 GLY C C 173.4 . 1 372 109 80 GLY CA C 45.63 . 1 373 109 80 GLY N N 105.9 . 1 374 110 81 LYS H H 7.50 . 1 375 110 81 LYS C C 172.4 . 1 376 110 81 LYS CA C 53.43 . 1 377 110 81 LYS CB C 34.08 . 1 378 110 81 LYS N N 118.0 . 1 379 111 82 PRO C C 175.8 . 1 380 111 82 PRO CA C 62.45 . 1 381 111 82 PRO CB C 32.30 . 1 382 112 83 THR H H 8.59 . 1 383 112 83 THR C C 172.6 . 1 384 112 83 THR CA C 61.46 . 1 385 112 83 THR CB C 71.23 . 1 386 112 83 THR N N 117.0 . 1 387 113 84 THR H H 8.27 . 1 388 113 84 THR C C 174.0 . 1 389 113 84 THR CA C 60.69 . 1 390 113 84 THR CB C 70.09 . 1 391 113 84 THR N N 120.1 . 1 392 121 92 LYS C C 180.2 . 1 393 121 92 LYS CA C 60.26 . 1 394 122 93 GLY H H 9.86 . 1 395 122 93 GLY C C 173.9 . 1 396 122 93 GLY CA C 48.03 . 1 397 122 93 GLY N N 105.4 . 1 398 123 94 TRP H H 7.65 . 1 399 123 94 TRP C C 177.4 . 1 400 123 94 TRP CA C 58.11 . 1 401 123 94 TRP CB C 29.96 . 1 402 123 94 TRP N N 121.6 . 1 403 124 95 THR H H 8.88 . 1 404 124 95 THR CA C 67.84 . 1 405 124 95 THR CB C 68.91 . 1 406 124 95 THR N N 119.3 . 1 407 126 97 ALA H H 7.52 . 1 408 126 97 ALA C C 179.3 . 1 409 126 97 ALA CA C 55.33 . 1 410 126 97 ALA CB C 20.21 . 1 411 126 97 ALA N N 119.0 . 1 412 127 98 LEU H H 8.64 . 1 413 127 98 LEU C C 177.7 . 1 414 127 98 LEU CA C 58.16 . 1 415 127 98 LEU CB C 41.57 . 1 416 127 98 LEU N N 114.7 . 1 417 128 99 GLN H H 6.68 . 1 418 128 99 GLN C C 175.9 . 1 419 128 99 GLN CA C 57.71 . 1 420 128 99 GLN CB C 31.77 . 1 421 128 99 GLN N N 108.1 . 1 422 129 100 LEU H H 7.90 . 1 423 129 100 LEU C C 172.4 . 1 424 129 100 LEU CA C 53.86 . 1 425 129 100 LEU CB C 44.23 . 1 426 129 100 LEU N N 122.7 . 1 427 130 101 MET H H 7.07 . 1 428 130 101 MET C C 171.9 . 1 429 130 101 MET CA C 55.31 . 1 430 130 101 MET CB C 37.08 . 1 431 130 101 MET N N 119.5 . 1 432 131 102 ARG H H 8.71 . 1 433 131 102 ARG C C 176.2 . 1 434 131 102 ARG CA C 52.50 . 1 435 131 102 ARG CB C 32.57 . 1 436 131 102 ARG N N 114.4 . 1 437 132 103 GLU H H 9.03 . 1 438 132 103 GLU C C 176.9 . 1 439 132 103 GLU CA C 59.59 . 1 440 132 103 GLU CB C 29.72 . 1 441 132 103 GLU N N 119.1 . 1 442 133 104 GLY H H 8.95 . 1 443 133 104 GLY C C 175.5 . 1 444 133 104 GLY CA C 44.99 . 1 445 133 104 GLY N N 111.3 . 1 446 134 105 ASP H H 8.64 . 1 447 134 105 ASP C C 175.3 . 1 448 134 105 ASP CA C 55.33 . 1 449 134 105 ASP CB C 42.09 . 1 450 134 105 ASP N N 122.3 . 1 451 135 106 ARG H H 8.37 . 1 452 135 106 ARG C C 175.0 . 1 453 135 106 ARG CA C 54.70 . 1 454 135 106 ARG CB C 34.13 . 1 455 135 106 ARG N N 119.1 . 1 456 136 107 TRP H H 9.74 . 1 457 136 107 TRP C C 173.9 . 1 458 136 107 TRP CA C 54.24 . 1 459 136 107 TRP CB C 35.63 . 1 460 136 107 TRP N N 129.9 . 1 461 137 108 ARG H H 9.45 . 1 462 137 108 ARG C C 174.4 . 1 463 137 108 ARG CA C 54.81 . 1 464 137 108 ARG CB C 35.75 . 1 465 137 108 ARG N N 122.5 . 1 466 138 109 LEU H H 9.72 . 1 467 138 109 LEU C C 174.9 . 1 468 138 109 LEU CA C 54.81 . 1 469 138 109 LEU CB C 45.24 . 1 470 138 109 LEU N N 123.9 . 1 471 139 110 PHE H H 9.68 . 1 472 139 110 PHE C C 173.8 . 1 473 139 110 PHE CA C 56.73 . 1 474 139 110 PHE CB C 39.14 . 1 475 139 110 PHE N N 122.7 . 1 476 141 112 PRO C C 179.2 . 1 477 141 112 PRO CA C 62.06 . 1 478 141 112 PRO CB C 33.01 . 1 479 142 113 TYR H H 8.99 . 1 480 142 113 TYR C C 177.3 . 1 481 142 113 TYR CA C 60.90 . 1 482 142 113 TYR CB C 37.90 . 1 483 142 113 TYR N N 117.4 . 1 484 143 114 ASP H H 8.19 . 1 485 143 114 ASP C C 176.8 . 1 486 143 114 ASP CA C 54.93 . 1 487 143 114 ASP CB C 38.10 . 1 488 143 114 ASP N N 119.9 . 1 489 144 115 LEU H H 7.67 . 1 490 144 115 LEU C C 174.2 . 1 491 144 115 LEU CA C 53.41 . 1 492 144 115 LEU CB C 42.67 . 1 493 144 115 LEU N N 119.6 . 1 494 145 116 ALA H H 7.57 . 1 495 145 116 ALA C C 176.2 . 1 496 145 116 ALA CA C 51.06 . 1 497 145 116 ALA CB C 19.27 . 1 498 145 116 ALA N N 125.4 . 1 499 146 117 TYR C C 177.0 . 9 500 146 117 TYR CA C 59.30 . 9 501 147 118 GLY H H 8.44 . 9 502 147 118 GLY C C 173.8 . 9 503 147 118 GLY CA C 47.43 . 9 504 147 118 GLY N N 106.4 . 9 505 150 121 GLY C C 173.2 . 1 506 150 121 GLY CA C 44.73 . 1 507 151 122 GLY H H 8.51 . 1 508 151 122 GLY C C 173.9 . 1 509 151 122 GLY CA C 45.60 . 1 510 151 122 GLY N N 106.9 . 1 511 152 123 GLY H H 8.37 . 1 512 152 123 GLY C C 174.6 . 1 513 152 123 GLY CA C 45.42 . 1 514 152 123 GLY N N 109.3 . 1 515 153 124 GLY H H 8.43 . 1 516 153 124 GLY C C 175.1 . 1 517 153 124 GLY CA C 46.26 . 1 518 153 124 GLY N N 108.7 . 1 519 154 125 MET H H 8.14 . 1 520 154 125 MET C C 174.6 . 1 521 154 125 MET CA C 55.89 . 1 522 154 125 MET CB C 33.59 . 1 523 154 125 MET N N 118.2 . 1 524 155 126 ILE H H 7.52 . 1 525 155 126 ILE C C 174.0 . 1 526 155 126 ILE CA C 58.21 . 1 527 155 126 ILE CB C 38.23 . 1 528 155 126 ILE N N 119.0 . 1 529 157 128 PRO C C 176.0 . 1 530 157 128 PRO CA C 65.64 . 1 531 157 128 PRO CB C 31.25 . 1 532 158 129 TYR H H 7.69 . 1 533 158 129 TYR C C 174.7 . 1 534 158 129 TYR CA C 53.59 . 1 535 158 129 TYR CB C 36.67 . 1 536 158 129 TYR N N 111.4 . 1 537 159 130 SER H H 8.13 . 9 538 159 130 SER CA C 56.05 . 9 539 159 130 SER N N 117.9 . 9 540 160 131 PRO C C 175.8 . 1 541 160 131 PRO CA C 62.22 . 1 542 160 131 PRO CB C 32.65 . 1 543 161 132 LEU H H 8.93 . 1 544 161 132 LEU C C 174.9 . 1 545 161 132 LEU CA C 53.47 . 1 546 161 132 LEU CB C 47.80 . 1 547 161 132 LEU N N 117.0 . 1 548 162 133 GLU H H 8.77 . 1 549 162 133 GLU C C 175.4 . 1 550 162 133 GLU CA C 53.47 . 1 551 162 133 GLU CB C 32.65 . 1 552 162 133 GLU N N 122.3 . 1 553 163 134 PHE H H 9.65 . 1 554 163 134 PHE C C 174.4 . 1 555 163 134 PHE CA C 55.89 . 1 556 163 134 PHE CB C 44.73 . 1 557 163 134 PHE N N 123.7 . 1 558 164 135 ASP H H 8.60 . 1 559 164 135 ASP C C 177.0 . 1 560 164 135 ASP CB C 42.17 . 1 561 164 135 ASP N N 123.4 . 1 562 165 136 VAL H H 9.49 . 1 563 165 136 VAL C C 172.2 . 1 564 165 136 VAL CA C 61.18 . 1 565 165 136 VAL CB C 35.42 . 1 566 165 136 VAL N N 125.4 . 1 567 166 137 GLU H H 9.51 . 1 568 166 137 GLU C C 174.8 . 1 569 166 137 GLU CA C 54.05 . 1 570 166 137 GLU CB C 33.96 . 1 571 166 137 GLU N N 128.6 . 1 572 167 138 LEU H H 8.38 . 1 573 167 138 LEU C C 174.1 . 1 574 167 138 LEU CA C 54.07 . 1 575 167 138 LEU CB C 41.25 . 1 576 167 138 LEU N N 128.9 . 1 577 168 139 ILE H H 8.86 . 1 578 168 139 ILE C C 176.7 . 1 579 168 139 ILE CA C 63.45 . 1 580 168 139 ILE CB C 38.10 . 1 581 168 139 ILE N N 130.0 . 1 582 169 140 SER H H 7.67 . 1 583 169 140 SER C C 171.8 . 1 584 169 140 SER CA C 57.54 . 1 585 169 140 SER CB C 65.67 . 1 586 169 140 SER N N 109.2 . 1 587 170 141 ILE H H 8.87 . 1 588 170 141 ILE C C 176.7 . 1 589 170 141 ILE CA C 60.18 . 1 590 170 141 ILE CB C 40.98 . 1 591 170 141 ILE N N 122.7 . 1 592 171 142 LYS H H 8.74 . 1 593 171 142 LYS C C 177.7 . 1 594 171 142 LYS CA C 58.29 . 1 595 171 142 LYS CB C 31.60 . 1 596 171 142 LYS N N 130.5 . 1 597 172 143 ASP H H 9.33 . 1 598 172 143 ASP C C 175.6 . 1 599 172 143 ASP CA C 56.55 . 1 600 172 143 ASP CB C 39.68 . 1 601 172 143 ASP N N 122.9 . 1 602 173 144 GLY H H 8.15 . 1 603 173 144 GLY C C 173.9 . 1 604 173 144 GLY CA C 45.90 . 1 605 173 144 GLY N N 107.2 . 1 606 174 145 GLY H H 7.67 . 1 607 174 145 GLY C C 174.6 . 1 608 174 145 GLY CA C 44.98 . 1 609 174 145 GLY N N 107.8 . 1 610 175 146 LYS H H 9.84 . 1 611 175 146 LYS C C 177.0 . 1 612 175 146 LYS CB C 32.77 . 1 613 175 146 LYS N N 121.9 . 1 614 176 147 GLY H H 8.07 . 1 615 176 147 GLY C C 174.2 . 1 616 176 147 GLY CA C 44.24 . 1 617 176 147 GLY N N 112.0 . 1 618 177 148 ARG H H 8.28 . 1 619 177 148 ARG C C 176.5 . 1 620 177 148 ARG CA C 56.84 . 1 621 177 148 ARG CB C 32.52 . 1 622 177 148 ARG N N 122.0 . 1 623 178 149 THR H H 8.87 . 1 624 178 149 THR C C 175.5 . 1 625 178 149 THR CA C 61.51 . 1 626 178 149 THR CB C 71.15 . 1 627 178 149 THR N N 110.8 . 1 628 179 150 ALA H H 7.93 . 1 629 179 150 ALA C C 177.9 . 1 630 179 150 ALA CA C 55.63 . 1 631 179 150 ALA CB C 18.39 . 1 632 179 150 ALA N N 122.5 . 1 633 180 151 GLU H H 8.74 . 1 634 180 151 GLU C C 179.7 . 1 635 180 151 GLU CA C 60.37 . 1 636 180 151 GLU CB C 28.86 . 1 637 180 151 GLU N N 115.4 . 1 638 181 152 GLU H H 7.78 . 1 639 181 152 GLU C C 180.2 . 1 640 181 152 GLU CA C 59.06 . 1 641 181 152 GLU CB C 30.30 . 1 642 181 152 GLU N N 121.0 . 1 643 182 153 VAL H H 8.41 . 1 644 182 153 VAL C C 177.7 . 1 645 182 153 VAL CA C 67.55 . 1 646 182 153 VAL CB C 31.36 . 1 647 182 153 VAL N N 120.0 . 1 648 183 154 ASP H H 8.83 . 1 649 183 154 ASP C C 179.2 . 1 650 183 154 ASP CA C 57.78 . 1 651 183 154 ASP CB C 39.71 . 1 652 183 154 ASP N N 118.8 . 1 653 184 155 GLU H H 7.73 . 1 654 184 155 GLU C C 178.5 . 1 655 184 155 GLU CA C 59.29 . 1 656 184 155 GLU CB C 29.41 . 1 657 184 155 GLU N N 120.5 . 1 658 185 156 ILE H H 7.68 . 1 659 185 156 ILE C C 179.5 . 1 660 185 156 ILE CA C 65.51 . 1 661 185 156 ILE CB C 38.29 . 1 662 185 156 ILE N N 121.7 . 1 663 186 157 LEU H H 8.72 . 1 664 186 157 LEU C C 179.1 . 1 665 186 157 LEU CA C 57.86 . 1 666 186 157 LEU CB C 40.68 . 1 667 186 157 LEU N N 118.8 . 1 668 187 158 ARG H H 8.53 . 1 669 187 158 ARG C C 179.2 . 1 670 187 158 ARG CA C 59.39 . 1 671 187 158 ARG CB C 29.74 . 1 672 187 158 ARG N N 121.0 . 1 673 188 159 LYS H H 7.79 . 1 674 188 159 LYS C C 178.6 . 1 675 188 159 LYS CA C 59.12 . 1 676 188 159 LYS CB C 31.89 . 1 677 188 159 LYS N N 118.9 . 1 678 189 160 ALA H H 7.74 . 1 679 189 160 ALA C C 180.3 . 1 680 189 160 ALA CA C 54.69 . 1 681 189 160 ALA CB C 18.05 . 1 682 189 160 ALA N N 120.7 . 1 683 190 161 GLU H H 8.16 . 1 684 190 161 GLU C C 178.6 . 1 685 190 161 GLU CA C 59.04 . 1 686 190 161 GLU CB C 29.90 . 1 687 190 161 GLU N N 118.7 . 1 688 191 162 GLU H H 8.17 . 1 689 191 162 GLU C C 177.6 . 1 690 191 162 GLU CA C 58.20 . 1 691 191 162 GLU CB C 29.74 . 1 692 191 162 GLU N N 119.6 . 1 693 192 163 ASP H H 8.06 . 1 694 192 163 ASP C C 176.7 . 1 695 192 163 ASP CA C 55.02 . 1 696 192 163 ASP CB C 40.65 . 1 697 192 163 ASP N N 119.7 . 1 698 193 164 ARG H H 7.65 . 1 699 193 164 ARG C C 177.1 . 1 700 193 164 ARG CA C 56.91 . 1 701 193 164 ARG CB C 30.83 . 1 702 193 164 ARG N N 120.4 . 1 703 194 165 GLU H H 8.35 . 1 704 194 165 GLU C C 176.8 . 1 705 194 165 GLU CA C 57.20 . 1 706 194 165 GLU CB C 29.98 . 1 707 194 165 GLU N N 121.5 . 1 708 195 166 ASP H H 8.36 . 1 709 195 166 ASP C C 176.9 . 1 710 195 166 ASP CA C 54.69 . 1 711 195 166 ASP CB C 40.92 . 1 712 195 166 ASP N N 120.2 . 1 713 196 167 MET H H 8.18 . 1 714 196 167 MET C C 176.7 . 1 715 196 167 MET CA C 56.21 . 1 716 196 167 MET CB C 32.16 . 1 717 196 167 MET N N 119.7 . 1 stop_ save_