data_4967 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor: Backbone resonance assignment of Mason-Pfizer Monkey Virus Protease ; _BMRB_accession_number 4967 _BMRB_flat_file_name bmr4967.str _Entry_type original _Submission_date 2001-03-06 _Accession_date 2001-03-06 _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 Veverka Vaclav . . 2 Bauerova Helena . . 3 Zabransky Ales . . 4 Pichova Iva . . 5 Hrabal Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 96 "13C chemical shifts" 204 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-07-30 original author . stop_ _Original_release_date 2001-07-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone resonance assignment of Mason-Pfizer Monkey Virus Protease ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Veverka Vaclav . . 2 Bauerova Helena . . 3 Zabransky Ales . . 4 Pichova Iva . . 5 Hrabal Richard . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 20 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 291 _Page_last 292 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_MPMV_PR12 _Saveframe_category molecular_system _Mol_system_name 'Mason-Pfizer Monkey Virus protease' _Abbreviation_common 'MPMV PR12' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MPMV PR12 subunit 1' $MPMV_PR12_monomer 'MPMV PR12 subunit 2' $MPMV_PR12_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'MPMV PR12 subunit 1' 1 'MPMV PR12 subunit 2' stop_ loop_ _Biological_function 'Aspartic protease' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MPMV_PR12_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Mason-Pfizer Monkey Virus protease' _Name_variant 'C7A, C106A' _Abbreviation_common 'MPMV PR12' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; WVQPITAQKPSLTLWLDDKM FTGLIDTGADVTIIKLEDWP PNWPITDTLTNLRGIGQSNN PKQSSKYLTWRDKENNSGLI KPFVIPNLPVNLWGRDLLSQ MKIMMAS ; loop_ _Residue_seq_code _Residue_label 1 TRP 2 VAL 3 GLN 4 PRO 5 ILE 6 THR 7 ALA 8 GLN 9 LYS 10 PRO 11 SER 12 LEU 13 THR 14 LEU 15 TRP 16 LEU 17 ASP 18 ASP 19 LYS 20 MET 21 PHE 22 THR 23 GLY 24 LEU 25 ILE 26 ASP 27 THR 28 GLY 29 ALA 30 ASP 31 VAL 32 THR 33 ILE 34 ILE 35 LYS 36 LEU 37 GLU 38 ASP 39 TRP 40 PRO 41 PRO 42 ASN 43 TRP 44 PRO 45 ILE 46 THR 47 ASP 48 THR 49 LEU 50 THR 51 ASN 52 LEU 53 ARG 54 GLY 55 ILE 56 GLY 57 GLN 58 SER 59 ASN 60 ASN 61 PRO 62 LYS 63 GLN 64 SER 65 SER 66 LYS 67 TYR 68 LEU 69 THR 70 TRP 71 ARG 72 ASP 73 LYS 74 GLU 75 ASN 76 ASN 77 SER 78 GLY 79 LEU 80 ILE 81 LYS 82 PRO 83 PHE 84 VAL 85 ILE 86 PRO 87 ASN 88 LEU 89 PRO 90 VAL 91 ASN 92 LEU 93 TRP 94 GLY 95 ARG 96 ASP 97 LEU 98 LEU 99 SER 100 GLN 101 MET 102 LYS 103 ILE 104 MET 105 MET 106 ALA 107 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1NSO "Folded Monomer Of Protease From Mason-Pfizer Monkey Virus" 100.00 107 99.07 100.00 3.59e-68 PDB 3SQF "Crystal Structure Of Monomeric M-Pmv Retroviral Protease" 100.00 114 99.07 100.00 4.32e-68 GB AAA47731 "prt [Simian retrovirus 1]" 100.00 314 98.13 98.13 3.76e-67 GB AAC82574 "Pr95 [Mason-Pfizer monkey virus]" 100.00 911 98.13 98.13 4.15e-64 GB AAC82576 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 98.13 98.13 6.10e-63 PIR PRLJSA "proteinase (EC 3.4.23.-) - simian AIDS retrovirus SRV-1" 100.00 314 98.13 98.13 3.76e-67 REF NP_056891 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 98.13 98.13 6.10e-63 REF NP_056892 "Pr95 [Mason-Pfizer monkey virus]" 100.00 911 98.13 98.13 4.15e-64 REF NP_954561 "p12 PR [Mason-Pfizer monkey virus]" 100.00 107 98.13 98.13 9.90e-68 REF NP_954565 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 98.13 98.13 6.10e-63 SP P04024 "RecName: Full=Protease [Simian retrovirus 1]" 100.00 314 98.13 98.13 3.76e-67 SP P07570 "RecName: Full=Protease [Mason-Pfizer monkey virus]" 100.00 314 98.13 98.13 3.10e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MPMV_PR12_monomer . 11855 Viruses . 'Beta retroviruses' 'Mason-Pfizer Monkey Virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MPMV_PR12_monomer 'recombinant technology' . . . . . 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 $MPMV_PR12_monomer 1.0 mM '[U-95% 13C; U-95% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-COSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.2 0.1 n/a temperature 310 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MPMV PR12 subunit 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 . 1 TRP CA C 57.83 0.1 1 2 . 1 TRP CB C 29.66 0.1 1 3 . 2 VAL H H 7.90 0.02 1 4 . 2 VAL CA C 61.40 0.1 1 5 . 2 VAL CB C 33.47 0.1 1 6 . 2 VAL N N 123.48 0.2 1 7 . 3 GLN H H 8.17 0.02 1 8 . 3 GLN CA C 53.67 0.1 1 9 . 3 GLN CB C 29.14 0.1 1 10 . 3 GLN N N 125.00 0.2 1 11 . 4 PRO CA C 63.12 0.1 1 12 . 4 PRO CB C 32.02 0.1 1 13 . 5 ILE H H 8.31 0.02 1 14 . 5 ILE CA C 61.37 0.1 1 15 . 5 ILE CB C 38.57 0.1 1 16 . 5 ILE N N 120.63 0.2 1 17 . 6 THR H H 8.09 0.02 1 18 . 6 THR CA C 61.52 0.1 1 19 . 6 THR CB C 69.98 0.1 1 20 . 6 THR N N 116.32 0.2 1 21 . 7 ALA H H 8.21 0.02 1 22 . 7 ALA CA C 52.68 0.1 1 23 . 7 ALA CB C 19.29 0.1 1 24 . 7 ALA N N 125.24 0.2 1 25 . 8 GLN H H 8.32 0.02 1 26 . 8 GLN CA C 55.69 0.1 1 27 . 8 GLN CB C 29.61 0.1 1 28 . 8 GLN N N 118.82 0.2 1 29 . 9 LYS H H 8.36 0.02 1 30 . 9 LYS CA C 54.31 0.1 1 31 . 9 LYS CB C 32.58 0.1 1 32 . 9 LYS N N 123.54 0.2 1 33 . 10 PRO CA C 62.99 0.1 1 34 . 10 PRO CB C 32.21 0.1 1 35 . 11 SER H H 8.31 0.02 1 36 . 11 SER CA C 57.29 0.1 1 37 . 11 SER CB C 65.62 0.1 1 38 . 11 SER N N 114.84 0.2 1 39 . 12 LEU H H 9.20 0.02 1 40 . 12 LEU CA C 54.95 0.1 1 41 . 12 LEU CB C 45.91 0.1 1 42 . 12 LEU N N 123.40 0.2 1 43 . 13 THR H H 8.87 0.02 1 44 . 13 THR CA C 61.81 0.1 1 45 . 13 THR CB C 70.20 0.1 1 46 . 13 THR N N 126.61 0.2 1 47 . 14 LEU H H 9.05 0.02 1 48 . 14 LEU CA C 53.53 0.1 1 49 . 14 LEU CB C 46.27 0.1 1 50 . 14 LEU N N 124.82 0.2 1 51 . 15 TRP H H 9.06 0.02 1 52 . 15 TRP CA C 58.50 0.1 1 53 . 15 TRP CB C 32.11 0.1 1 54 . 15 TRP N N 120.12 0.2 1 55 . 16 LEU H H 9.81 0.02 1 56 . 16 LEU CA C 53.33 0.1 1 57 . 16 LEU CB C 42.81 0.1 1 58 . 16 LEU N N 122.81 0.2 1 59 . 17 ASP H H 9.76 0.02 1 60 . 17 ASP CA C 55.43 0.1 1 61 . 17 ASP CB C 38.51 0.1 1 62 . 17 ASP N N 124.26 0.2 1 63 . 18 ASP CA C 56.23 0.1 1 64 . 18 ASP CB C 39.77 0.1 1 65 . 19 LYS H H 8.94 0.02 1 66 . 19 LYS CA C 55.44 0.1 1 67 . 19 LYS CB C 34.99 0.1 1 68 . 19 LYS N N 123.05 0.2 1 69 . 20 MET H H 8.59 0.02 1 70 . 20 MET CA C 56.92 0.1 1 71 . 20 MET CB C 34.35 0.1 1 72 . 20 MET N N 125.42 0.2 1 73 . 21 PHE H H 9.59 0.02 1 74 . 21 PHE CA C 57.42 0.1 1 75 . 21 PHE CB C 45.23 0.1 1 76 . 21 PHE N N 124.25 0.2 1 77 . 22 THR H H 9.00 0.02 1 78 . 22 THR CA C 61.45 0.1 1 79 . 22 THR CB C 70.77 0.1 1 80 . 22 THR N N 115.37 0.2 1 81 . 23 GLY H H 8.57 0.02 1 82 . 23 GLY CA C 45.46 0.1 1 83 . 23 GLY N N 113.08 0.2 1 84 . 24 LEU H H 8.48 0.02 1 85 . 24 LEU CA C 52.92 0.1 1 86 . 24 LEU CB C 43.44 0.1 1 87 . 24 LEU N N 118.39 0.2 1 88 . 25 ILE H H 8.71 0.02 1 89 . 25 ILE CA C 63.64 0.1 1 90 . 25 ILE CB C 38.90 0.1 1 91 . 25 ILE N N 121.83 0.2 1 92 . 26 ASP H H 9.09 0.02 1 93 . 26 ASP CA C 52.42 0.1 1 94 . 26 ASP CB C 41.10 0.1 1 95 . 26 ASP N N 127.89 0.2 1 96 . 27 THR H H 8.54 0.02 1 97 . 27 THR CA C 63.74 0.1 1 98 . 27 THR CB C 68.27 0.1 1 99 . 27 THR N N 112.76 0.2 1 100 . 28 GLY H H 8.48 0.02 1 101 . 28 GLY CA C 45.09 0.1 1 102 . 28 GLY N N 107.85 0.2 1 103 . 29 ALA H H 7.59 0.02 1 104 . 29 ALA CA C 50.66 0.1 1 105 . 29 ALA CB C 19.11 0.1 1 106 . 29 ALA N N 124.83 0.2 1 107 . 30 ASP H H 8.98 0.02 1 108 . 30 ASP CA C 57.08 0.1 1 109 . 30 ASP CB C 41.62 0.1 1 110 . 30 ASP N N 122.53 0.2 1 111 . 31 VAL H H 7.51 0.02 1 112 . 31 VAL CA C 58.96 0.1 1 113 . 31 VAL CB C 35.60 0.1 1 114 . 31 VAL N N 111.53 0.2 1 115 . 32 THR H H 9.07 0.02 1 116 . 32 THR CA C 64.52 0.1 1 117 . 32 THR CB C 70.45 0.1 1 118 . 32 THR N N 123.60 0.2 1 119 . 33 ILE H H 8.95 0.02 1 120 . 33 ILE CA C 59.67 0.1 1 121 . 33 ILE CB C 41.58 0.1 1 122 . 33 ILE N N 125.09 0.2 1 123 . 34 ILE H H 9.00 0.02 1 124 . 34 ILE CA C 56.37 0.1 1 125 . 34 ILE CB C 39.12 0.1 1 126 . 34 ILE N N 125.92 0.2 1 127 . 35 LYS H H 9.27 0.02 1 128 . 35 LYS CA C 55.47 0.1 1 129 . 35 LYS CB C 33.59 0.1 1 130 . 35 LYS N N 124.89 0.2 1 131 . 36 LEU H H 7.91 0.02 1 132 . 36 LEU CA C 57.71 0.1 1 133 . 36 LEU CB C 42.53 0.1 1 134 . 36 LEU N N 126.03 0.2 1 135 . 37 GLU H H 9.61 0.02 1 136 . 37 GLU CA C 59.80 0.1 1 137 . 37 GLU CB C 28.96 0.1 1 138 . 37 GLU N N 115.64 0.2 1 139 . 38 ASP H H 7.80 0.02 1 140 . 38 ASP CA C 53.88 0.1 1 141 . 38 ASP CB C 41.98 0.1 1 142 . 38 ASP N N 117.65 0.2 1 143 . 39 TRP H H 7.96 0.02 1 144 . 39 TRP CA C 54.63 0.1 1 145 . 39 TRP CB C 30.44 0.1 1 146 . 39 TRP N N 124.74 0.2 1 147 . 41 PRO CA C 64.49 0.1 1 148 . 41 PRO CB C 31.87 0.1 1 149 . 42 ASN H H 8.35 0.02 1 150 . 42 ASN CA C 52.92 0.1 1 151 . 42 ASN CB C 37.11 0.1 1 152 . 42 ASN N N 111.33 0.2 1 153 . 43 TRP H H 8.11 0.02 1 154 . 43 TRP CA C 52.80 0.1 1 155 . 43 TRP CB C 28.23 0.1 1 156 . 43 TRP N N 124.58 0.2 1 157 . 44 PRO CA C 63.77 0.1 1 158 . 44 PRO CB C 32.27 0.1 1 159 . 45 ILE H H 8.56 0.02 1 160 . 45 ILE CA C 59.51 0.1 1 161 . 45 ILE CB C 42.89 0.1 1 162 . 45 ILE N N 116.99 0.2 1 163 . 46 THR H H 8.96 0.02 1 164 . 46 THR CA C 59.50 0.1 1 165 . 46 THR CB C 71.78 0.1 1 166 . 46 THR N N 114.93 0.2 1 167 . 47 ASP H H 8.30 0.02 1 168 . 47 ASP CA C 55.14 0.1 1 169 . 47 ASP CB C 41.52 0.1 1 170 . 47 ASP N N 123.01 0.2 1 171 . 48 THR H H 8.24 0.02 1 172 . 48 THR CA C 61.39 0.1 1 173 . 48 THR CB C 70.48 0.1 1 174 . 48 THR N N 113.64 0.2 1 175 . 49 LEU H H 8.46 0.02 1 176 . 49 LEU CA C 54.67 0.1 1 177 . 49 LEU CB C 42.09 0.1 1 178 . 49 LEU N N 123.21 0.2 1 179 . 50 THR H H 8.05 0.02 1 180 . 50 THR CA C 61.93 0.1 1 181 . 50 THR CB C 69.73 0.1 1 182 . 50 THR N N 115.46 0.2 1 183 . 51 ASN H H 8.47 0.02 1 184 . 51 ASN CA C 52.89 0.1 1 185 . 51 ASN CB C 39.10 0.1 1 186 . 51 ASN N N 121.11 0.2 1 187 . 52 LEU H H 8.34 0.02 1 188 . 52 LEU CA C 54.59 0.1 1 189 . 52 LEU CB C 42.58 0.1 1 190 . 52 LEU N N 123.13 0.2 1 191 . 53 ARG H H 8.43 0.02 1 192 . 53 ARG CA C 56.54 0.1 1 193 . 53 ARG CB C 30.61 0.1 1 194 . 53 ARG N N 121.44 0.2 1 195 . 54 GLY H H 8.54 0.02 1 196 . 54 GLY CA C 45.60 0.1 1 197 . 54 GLY N N 109.30 0.2 1 198 . 55 ILE H H 7.81 0.02 1 199 . 55 ILE CA C 60.93 0.1 1 200 . 55 ILE CB C 38.60 0.1 1 201 . 55 ILE N N 118.50 0.2 1 202 . 56 GLY H H 8.46 0.02 1 203 . 56 GLY CA C 45.66 0.1 1 204 . 56 GLY N N 111.30 0.2 1 205 . 57 GLN H H 8.22 0.02 1 206 . 57 GLN CA C 56.33 0.1 1 207 . 57 GLN CB C 29.12 0.1 1 208 . 57 GLN N N 118.90 0.2 1 209 . 58 SER H H 8.29 0.02 1 210 . 58 SER CA C 58.65 0.1 1 211 . 58 SER CB C 63.89 0.1 1 212 . 58 SER N N 115.30 0.2 1 213 . 59 ASN H H 8.34 0.02 1 214 . 59 ASN CA C 53.02 0.1 1 215 . 59 ASN CB C 39.39 0.1 1 216 . 59 ASN N N 119.60 0.2 1 217 . 60 ASN H H 8.53 0.02 1 218 . 60 ASN CA C 52.59 0.1 1 219 . 60 ASN CB C 38.90 0.1 1 220 . 60 ASN N N 117.90 0.2 1 221 . 61 PRO CA C 63.34 0.1 1 222 . 61 PRO CB C 32.42 0.1 1 223 . 62 LYS H H 7.94 0.02 1 224 . 62 LYS CA C 54.71 0.1 1 225 . 62 LYS CB C 35.36 0.1 1 226 . 62 LYS N N 118.60 0.2 1 227 . 63 GLN H H 8.93 0.02 1 228 . 63 GLN CA C 54.03 0.1 1 229 . 63 GLN CB C 32.60 0.1 1 230 . 63 GLN N N 118.60 0.2 1 231 . 64 SER H H 8.14 0.02 1 232 . 64 SER CA C 59.19 0.1 1 233 . 64 SER CB C 64.26 0.1 1 234 . 64 SER N N 116.10 0.2 1 235 . 65 SER H H 8.74 0.02 1 236 . 65 SER CA C 61.24 0.1 1 237 . 65 SER CB C 63.73 0.1 1 238 . 65 SER N N 123.50 0.2 1 239 . 66 LYS H H 7.56 0.02 1 240 . 66 LYS CA C 53.75 0.1 1 241 . 66 LYS CB C 35.39 0.1 1 242 . 66 LYS N N 115.60 0.2 1 243 . 67 TYR H H 8.87 0.02 1 244 . 67 TYR CA C 60.58 0.1 1 245 . 67 TYR CB C 39.15 0.1 1 246 . 67 TYR N N 120.10 0.2 1 247 . 68 LEU H H 9.57 0.02 1 248 . 68 LEU CA C 52.73 0.1 1 249 . 68 LEU CB C 43.80 0.1 1 250 . 68 LEU N N 123.40 0.2 1 251 . 69 THR H H 8.72 0.02 1 252 . 69 THR CA C 61.59 0.1 1 253 . 69 THR CB C 69.94 0.1 1 254 . 69 THR N N 118.20 0.2 1 255 . 70 TRP H H 8.83 0.02 1 256 . 70 TRP CA C 53.59 0.1 1 257 . 70 TRP CB C 32.34 0.1 1 258 . 70 TRP N N 127.40 0.2 1 259 . 71 ARG H H 9.26 0.02 1 260 . 71 ARG CA C 55.49 0.1 1 261 . 71 ARG CB C 34.62 0.1 1 262 . 71 ARG N N 118.60 0.2 1 263 . 72 ASP H H 8.44 0.02 1 264 . 72 ASP CA C 51.91 0.1 1 265 . 72 ASP CB C 43.79 0.1 1 266 . 72 ASP N N 122.10 0.2 1 267 . 73 LYS H H 8.99 0.02 1 268 . 73 LYS CA C 58.69 0.1 1 269 . 73 LYS CB C 32.38 0.1 1 270 . 73 LYS N N 117.60 0.2 1 271 . 74 GLU H H 8.21 0.02 1 272 . 74 GLU CA C 55.85 0.1 1 273 . 74 GLU CB C 28.81 0.1 1 274 . 74 GLU N N 118.40 0.2 1 275 . 75 ASN H H 8.27 0.02 1 276 . 75 ASN CA C 55.26 0.1 1 277 . 75 ASN CB C 37.35 0.1 1 278 . 75 ASN N N 112.70 0.2 1 279 . 76 ASN H H 9.07 0.02 1 280 . 76 ASN CA C 54.34 0.1 1 281 . 76 ASN CB C 38.78 0.1 1 282 . 76 ASN N N 119.00 0.2 1 283 . 77 SER H H 7.86 0.02 1 284 . 77 SER CA C 56.13 0.1 1 285 . 77 SER CB C 67.75 0.1 1 286 . 77 SER N N 112.10 0.2 1 287 . 78 GLY H H 6.43 0.02 1 288 . 78 GLY CA C 45.59 0.1 1 289 . 78 GLY N N 106.50 0.2 1 290 . 79 LEU H H 8.31 0.02 1 291 . 79 LEU CA C 53.96 0.1 1 292 . 79 LEU CB C 46.57 0.1 1 293 . 79 LEU N N 120.30 0.2 1 294 . 80 ILE H H 9.58 0.02 1 295 . 80 ILE CA C 59.33 0.1 1 296 . 80 ILE CB C 44.17 0.1 1 297 . 80 ILE N N 117.00 0.2 1 298 . 81 LYS H H 9.47 0.02 1 299 . 81 LYS CA C 53.39 0.1 1 300 . 81 LYS CB C 33.61 0.1 1 301 . 81 LYS N N 127.70 0.2 1 302 . 82 PRO CA C 63.29 0.1 1 303 . 82 PRO CB C 33.77 0.1 1 304 . 83 PHE H H 8.72 0.02 1 305 . 83 PHE CA C 58.18 0.1 1 306 . 83 PHE CB C 40.98 0.1 1 307 . 83 PHE N N 118.20 0.2 1 308 . 84 VAL H H 8.37 0.02 1 309 . 84 VAL CA C 61.22 0.1 1 310 . 84 VAL CB C 34.32 0.1 1 311 . 84 VAL N N 120.40 0.2 1 312 . 85 ILE H H 8.13 0.02 1 313 . 85 ILE N N 122.80 0.2 1 314 . 86 PRO CA C 63.13 0.1 1 315 . 86 PRO CB C 32.53 0.1 1 316 . 87 ASN H H 9.65 0.02 1 317 . 87 ASN CA C 55.25 0.1 1 318 . 87 ASN CB C 37.35 0.1 1 319 . 87 ASN N N 114.20 0.2 1 320 . 88 LEU H H 7.88 0.02 1 321 . 88 LEU CA C 52.54 0.1 1 322 . 88 LEU CB C 43.51 0.1 1 323 . 88 LEU N N 121.70 0.2 1 324 . 89 PRO CA C 65.43 0.1 1 325 . 89 PRO CB C 32.31 0.1 1 326 . 90 VAL H H 7.16 0.02 1 327 . 90 VAL CA C 59.35 0.1 1 328 . 90 VAL CB C 35.79 0.1 1 329 . 90 VAL N N 111.40 0.2 1 330 . 91 ASN H H 7.88 0.02 1 331 . 91 ASN CA C 54.01 0.1 1 332 . 91 ASN CB C 37.88 0.1 1 333 . 91 ASN N N 118.50 0.2 1 334 . 92 LEU H H 8.89 0.02 1 335 . 92 LEU CA C 53.02 0.1 1 336 . 92 LEU CB C 45.23 0.1 1 337 . 92 LEU N N 121.50 0.2 1 338 . 93 TRP H H 8.79 0.02 1 339 . 93 TRP CA C 54.50 0.1 1 340 . 93 TRP CB C 30.79 0.1 1 341 . 93 TRP N N 122.80 0.2 1 342 . 94 GLY H H 8.56 0.02 1 343 . 94 GLY CA C 43.41 0.1 1 344 . 94 GLY N N 110.60 0.2 1 345 . 95 ARG H H 8.98 0.02 1 346 . 95 ARG CA C 60.22 0.1 1 347 . 95 ARG CB C 31.10 0.1 1 348 . 95 ARG N N 116.20 0.2 1 349 . 96 ASP H H 8.42 0.02 1 350 . 96 ASP CA C 56.53 0.1 1 351 . 96 ASP CB C 37.90 0.1 1 352 . 96 ASP N N 120.70 0.2 1 353 . 97 LEU H H 8.51 0.02 1 354 . 97 LEU CA C 56.69 0.1 1 355 . 97 LEU CB C 43.34 0.1 1 356 . 97 LEU N N 125.10 0.2 1 357 . 98 LEU H H 8.61 0.02 1 358 . 98 LEU CA C 57.72 0.1 1 359 . 98 LEU CB C 41.27 0.1 1 360 . 98 LEU N N 117.50 0.2 1 361 . 99 SER H H 8.65 0.02 1 362 . 99 SER CA C 61.17 0.1 1 363 . 99 SER CB C 63.22 0.1 1 364 . 99 SER N N 111.60 0.2 1 365 . 100 GLN H H 7.73 0.02 1 366 . 100 GLN CA C 56.73 0.1 1 367 . 100 GLN CB C 30.65 0.1 1 368 . 100 GLN N N 119.50 0.2 1 369 . 101 MET H H 7.64 0.02 1 370 . 101 MET CA C 56.37 0.1 1 371 . 101 MET CB C 34.45 0.1 1 372 . 101 MET N N 117.80 0.2 1 373 . 102 LYS H H 8.15 0.02 1 374 . 102 LYS CA C 56.67 0.1 1 375 . 102 LYS CB C 31.10 0.1 1 376 . 102 LYS N N 118.00 0.2 1 377 . 103 ILE H H 7.90 0.02 1 378 . 103 ILE CA C 61.26 0.1 1 379 . 103 ILE CB C 39.11 0.1 1 380 . 103 ILE N N 119.20 0.2 1 381 . 104 MET H H 8.32 0.02 1 382 . 104 MET CA C 55.29 0.1 1 383 . 104 MET CB C 32.97 0.1 1 384 . 104 MET N N 122.70 0.2 1 385 . 105 MET H H 8.33 0.02 1 386 . 105 MET CA C 55.31 0.1 1 387 . 105 MET CB C 33.24 0.1 1 388 . 105 MET N N 121.20 0.2 1 389 . 106 ALA H H 8.32 0.02 1 390 . 106 ALA CA C 52.38 0.1 1 391 . 106 ALA CB C 19.65 0.1 1 392 . 106 ALA N N 125.10 0.2 1 393 . 107 SER H H 8.00 0.02 1 394 . 107 SER CA C 59.56 0.1 1 395 . 107 SER CB C 65.11 0.1 1 stop_ save_