data_50160 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Point mutant of Oligosaccharyltransferase subunit, Ost4V23D ; _BMRB_accession_number 50160 _BMRB_flat_file_name bmr50160.str _Entry_type original _Submission_date 2020-01-16 _Accession_date 2020-01-16 _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 Chaudhary Bharat P. . 2 Zoetewey David L. . 3 Mohanty Smita . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 193 "13C chemical shifts" 82 "15N chemical shifts" 39 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-30 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50159 'Oligosaccharyltransferase subunit Ost4p' stop_ _Original_release_date 2020-01-17 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N Resonance Assignments and Secondary Structure of Yeast Oligosaccharyltransferase Subunit Ost4 and Its Functionally Important Mutant Ost4V23D ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32328881 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chaudhary Bharat P. . 2 Zoetewey David L. . 3 Mohanty Smita . . stop_ _Journal_abbreviation 'Biomelecular NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . loop_ _Keyword 'N-glycosylation, Solution NMR, Oligosaccharyltransferase, Ost4p, Congenital Disorders of Glycosylation, Membrane protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Point mutant of Oligosaccharyltransferase subunit, Ost4V23D' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Point mutant Ost4V23D' $entity_1_Ost4V23D stop_ _System_molecular_weight . _System_physical_state Reconstituted _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1_Ost4V23D _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ost4V23D _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; MISDEQLNSLAITFGIVMMT LIDIYHAVDSTMSPKNRLEH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 SER 4 ASP 5 GLU 6 GLN 7 LEU 8 ASN 9 SER 10 LEU 11 ALA 12 ILE 13 THR 14 PHE 15 GLY 16 ILE 17 VAL 18 MET 19 MET 20 THR 21 LEU 22 ILE 23 ASP 24 ILE 25 TYR 26 HIS 27 ALA 28 VAL 29 ASP 30 SER 31 THR 32 MET 33 SER 34 PRO 35 LYS 36 ASN 37 ARG 38 LEU 39 GLU 40 HIS 41 HIS 42 HIS 43 HIS 44 HIS 45 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1_Ost4V23D "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1_Ost4V23D 'recombinant technology' . . . . plasmid Pet23a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_Ost4V23D _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1_Ost4V23D 300 uM [U-2H] DPC 100 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Cornilescu, Delaglio and Bax' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' collection 'data analysis' 'geometry optimization' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_800_MHz _Saveframe_category NMR_spectrometer _Manufacturer 'Bruker, Varian' _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_1_900_MHz _Saveframe_category NMR_spectrometer _Manufacturer 'Bruker, Varian' _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_1_600_MHz _Saveframe_category NMR_spectrometer _Manufacturer 'Bruker, Varian' _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1_H-_15_N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1 H- 15 N HSQC' _Sample_label $sample_1_Ost4V23D save_ save_1_H-_13_C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1 H- 13 C HSQC' _Sample_label $sample_1_Ost4V23D save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1_Ost4V23D save_ save_3D_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label $sample_1_Ost4V23D save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1_Ost4V23D save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1_Ost4V23D save_ save_3D_HNHAHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $sample_1_Ost4V23D save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1_Ost4V23D save_ save_3D_13_C-edited_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13 C-edited HCCH-TOCSY' _Sample_label $sample_1_Ost4V23D save_ save_3D_H(CCO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH-TOCSY' _Sample_label $sample_1_Ost4V23D save_ save_3D_15_N-edited_HSQC-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15 N-edited HSQC-TOCSY' _Sample_label $sample_1_Ost4V23D save_ ####################### # Sample conditions # ####################### save_sample_conditions_1_Solution _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.35 0.15 mM pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1_1H__13C__15N _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 Carbon ppm 0 internal indirect . . . 1 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 nitrogen ppm 0 external indirect . . . 1 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_1H__13C__15N _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1 H- 15 N HSQC' '1 H- 13 C HSQC' '3D HNCACB' '3D CBCACONH' '3D HNCA' '3D HN(CO)CA' '3D HNHAHB' '3D HBHA(CO)NH' '3D 13 C-edited HCCH-TOCSY' '3D H(CCO)NH-TOCSY' '3D 15 N-edited HSQC-TOCSY' stop_ loop_ _Sample_label $sample_1_Ost4V23D stop_ _Sample_conditions_label $sample_conditions_1_Solution _Chem_shift_reference_set_label $chem_shift_reference_1_1H__13C__15N _Mol_system_component_name 'Point mutant Ost4V23D' _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 1 MET H H 8.972 0.013 1 2 1 1 MET HA H 4.352 0.008 1 3 1 1 MET HB2 H 2.579 0.008 2 4 1 1 MET HB3 H 2.579 0.008 2 5 1 1 MET HG2 H 2.652 0.003 2 6 1 1 MET HG3 H 2.652 0.003 2 7 1 1 MET CA C 57.365 0.120 1 8 1 1 MET CB C 33.709 0.055 1 9 1 1 MET N N 122.383 0.065 1 10 2 2 ILE H H 7.695 0.008 1 11 2 2 ILE HA H 4.447 0.007 1 12 2 2 ILE HB H 1.829 0.006 1 13 2 2 ILE HG12 H 1.544 0.007 2 14 2 2 ILE HG13 H 1.544 0.007 2 15 2 2 ILE HG2 H 1.192 0.011 1 16 2 2 ILE HD1 H 0.918 0.012 1 17 2 2 ILE CA C 59.753 0.084 1 18 2 2 ILE CB C 39.988 0.050 1 19 2 2 ILE N N 115.770 0.077 1 20 3 3 SER H H 8.713 0.011 1 21 3 3 SER HA H 4.335 0.013 1 22 3 3 SER HB2 H 3.979 0.009 2 23 3 3 SER HB3 H 3.979 0.009 2 24 3 3 SER CA C 57.656 0.005 1 25 3 3 SER CB C 65.310 0.013 1 26 3 3 SER N N 121.570 0.042 1 27 4 4 ASP H H 8.802 0.012 1 28 4 4 ASP HA H 4.523 0.019 1 29 4 4 ASP HB2 H 2.647 0.021 2 30 4 4 ASP HB3 H 2.647 0.021 2 31 4 4 ASP CA C 57.626 0.009 1 32 4 4 ASP CB C 40.466 0.117 1 33 4 4 ASP N N 122.050 0.031 1 34 5 5 GLU H H 8.686 0.011 1 35 5 5 GLU HA H 4.095 0.007 1 36 5 5 GLU HB2 H 2.052 0.022 2 37 5 5 GLU HB3 H 2.052 0.022 2 38 5 5 GLU HG2 H 2.356 0.020 2 39 5 5 GLU HG3 H 2.356 0.020 2 40 5 5 GLU CA C 59.855 0.065 1 41 5 5 GLU CB C 29.438 0.007 1 42 5 5 GLU N N 119.632 0.066 1 43 6 6 GLN H H 7.878 0.009 1 44 6 6 GLN HA H 4.125 0.006 1 45 6 6 GLN HB2 H 2.412 0.000 2 46 6 6 GLN HB3 H 2.412 0.000 2 47 6 6 GLN HG2 H 3.063 0.000 2 48 6 6 GLN HG3 H 3.063 0.000 2 49 6 6 GLN CA C 58.719 0.027 1 50 6 6 GLN CB C 28.980 0.041 1 51 6 6 GLN N N 120.224 0.035 1 52 7 7 LEU H H 8.343 0.020 1 53 7 7 LEU HA H 4.032 0.015 1 54 7 7 LEU HB2 H 1.743 0.014 2 55 7 7 LEU HB3 H 1.743 0.014 2 56 7 7 LEU HG H 1.446 0.000 1 57 7 7 LEU HD1 H 0.899 0.007 2 58 7 7 LEU HD2 H 0.899 0.007 2 59 7 7 LEU CA C 58.342 0.131 1 60 7 7 LEU CB C 41.330 0.029 1 61 7 7 LEU N N 120.563 0.017 1 62 8 8 ASN H H 8.227 0.012 1 63 8 8 ASN HA H 4.431 0.008 1 64 8 8 ASN HB2 H 2.858 0.017 2 65 8 8 ASN HB3 H 2.858 0.017 2 66 8 8 ASN CA C 56.489 0.012 1 67 8 8 ASN CB C 38.799 0.050 1 68 8 8 ASN N N 117.175 0.064 1 69 9 9 SER H H 7.915 0.010 1 70 9 9 SER HA H 4.264 0.004 1 71 9 9 SER HB2 H 4.030 0.004 2 72 9 9 SER HB3 H 4.030 0.004 2 73 9 9 SER CA C 61.742 0.033 1 74 9 9 SER CB C 62.921 0.003 1 75 9 9 SER N N 114.430 0.035 1 76 10 10 LEU H H 8.293 0.010 1 77 10 10 LEU HA H 4.050 0.026 1 78 10 10 LEU HB2 H 1.932 0.016 2 79 10 10 LEU HB3 H 1.932 0.016 2 80 10 10 LEU HG H 1.587 0.004 1 81 10 10 LEU HD1 H 0.856 0.000 2 82 10 10 LEU HD2 H 0.856 0.000 2 83 10 10 LEU CA C 58.332 0.166 1 84 10 10 LEU CB C 41.918 0.058 1 85 10 10 LEU N N 123.137 0.026 1 86 11 11 ALA H H 8.354 0.007 1 87 11 11 ALA HA H 4.027 0.017 1 88 11 11 ALA HB H 1.580 0.010 1 89 11 11 ALA CA C 55.803 0.091 1 90 11 11 ALA CB C 18.382 0.020 1 91 11 11 ALA N N 121.402 0.044 1 92 12 12 ILE H H 8.003 0.021 1 93 12 12 ILE HA H 4.011 0.016 1 94 12 12 ILE HB H 2.063 0.016 1 95 12 12 ILE HG12 H 1.799 0.014 2 96 12 12 ILE HG13 H 1.799 0.014 2 97 12 12 ILE HG2 H 1.270 0.011 1 98 12 12 ILE HD1 H 0.939 0.004 1 99 12 12 ILE CA C 59.411 0.000 1 100 12 12 ILE CB C 38.152 0.047 1 101 12 12 ILE N N 118.362 0.041 1 102 13 13 THR H H 7.969 0.022 1 103 13 13 THR HA H 4.251 0.014 1 104 13 13 THR HG2 H 1.765 0.006 1 105 13 13 THR CB C 67.518 0.000 1 106 13 13 THR N N 114.934 0.036 1 107 14 14 PHE H H 8.963 0.009 1 108 14 14 PHE HA H 3.169 0.011 1 109 14 14 PHE HB2 H 2.696 0.000 2 110 14 14 PHE HB3 H 2.696 0.000 2 111 14 14 PHE CA C 61.712 0.035 1 112 14 14 PHE CB C 38.942 0.040 1 113 14 14 PHE N N 120.496 0.032 1 114 15 15 GLY H H 8.300 0.012 1 115 15 15 GLY HA2 H 4.005 0.011 2 116 15 15 GLY HA3 H 3.712 0.006 2 117 15 15 GLY CA C 47.794 0.041 1 118 15 15 GLY N N 106.719 0.045 1 119 16 16 ILE H H 7.932 0.008 1 120 16 16 ILE HA H 3.862 0.021 1 121 16 16 ILE HB H 2.072 0.017 1 122 16 16 ILE HG2 H 1.179 0.030 1 123 16 16 ILE HD1 H 0.929 0.014 1 124 16 16 ILE CA C 64.792 0.111 1 125 16 16 ILE N N 122.078 0.060 1 126 17 17 VAL H H 8.281 0.009 1 127 17 17 VAL HA H 3.514 0.009 1 128 17 17 VAL HB H 2.229 0.009 1 129 17 17 VAL HG1 H 0.874 0.011 2 130 17 17 VAL HG2 H 1.038 0.017 2 131 17 17 VAL CA C 67.096 0.033 1 132 17 17 VAL CB C 31.481 0.123 1 133 17 17 VAL CG1 C 21.285 0.028 1 134 17 17 VAL N N 122.677 0.028 1 135 18 18 MET H H 8.443 0.006 1 136 18 18 MET HA H 4.091 0.027 1 137 18 18 MET HB2 H 1.962 0.020 2 138 18 18 MET HB3 H 1.962 0.020 2 139 18 18 MET HG2 H 2.286 0.013 2 140 18 18 MET HG3 H 2.286 0.013 2 141 18 18 MET CA C 58.451 0.028 1 142 18 18 MET CB C 31.873 0.032 1 143 18 18 MET CG C 32.111 0.029 1 144 18 18 MET N N 117.751 0.079 1 145 19 19 MET H H 8.170 0.013 1 146 19 19 MET HA H 4.181 0.011 1 147 19 19 MET HB2 H 2.199 0.011 2 148 19 19 MET HB3 H 2.199 0.011 2 149 19 19 MET HG2 H 2.699 0.013 2 150 19 19 MET HG3 H 2.699 0.013 2 151 19 19 MET CA C 58.413 0.037 1 152 19 19 MET CB C 32.031 0.079 1 153 19 19 MET N N 116.210 0.065 1 154 20 20 THR H H 7.943 0.008 1 155 20 20 THR HA H 4.282 0.000 1 156 20 20 THR HB H 4.382 0.009 1 157 20 20 THR HG2 H 1.786 0.006 1 158 20 20 THR CB C 67.041 0.000 1 159 20 20 THR N N 116.639 0.047 1 160 21 21 LEU H H 8.230 0.011 1 161 21 21 LEU HA H 4.023 0.015 1 162 21 21 LEU HB2 H 1.427 0.010 2 163 21 21 LEU HB3 H 1.427 0.010 2 164 21 21 LEU HG H 1.249 0.009 1 165 21 21 LEU HD1 H 0.838 0.016 2 166 21 21 LEU HD2 H 0.838 0.016 2 167 21 21 LEU CA C 58.379 0.112 1 168 21 21 LEU CB C 41.272 0.051 1 169 21 21 LEU N N 121.081 0.037 1 170 22 22 ILE H H 8.153 0.011 1 171 22 22 ILE HA H 3.597 0.015 1 172 22 22 ILE HB H 1.828 0.012 1 173 22 22 ILE HD1 H 0.905 0.016 1 174 22 22 ILE CA C 65.745 0.040 1 175 22 22 ILE CB C 37.809 0.077 1 176 22 22 ILE N N 119.199 0.052 1 177 23 23 ASP H H 7.853 0.016 1 178 23 23 ASP HA H 4.269 0.008 1 179 23 23 ASP HB2 H 1.547 0.000 2 180 23 23 ASP HB3 H 1.547 0.000 2 181 23 23 ASP CA C 57.799 0.002 1 182 23 23 ASP CB C 40.525 0.124 1 183 23 23 ASP N N 120.548 0.043 1 184 24 24 ILE H H 8.294 0.012 1 185 24 24 ILE HA H 3.761 0.013 1 186 24 24 ILE HB H 2.036 0.017 1 187 24 24 ILE HG12 H 1.569 0.014 2 188 24 24 ILE HG13 H 1.569 0.014 2 189 24 24 ILE HG2 H 1.268 0.000 1 190 24 24 ILE HD1 H 0.883 0.011 1 191 24 24 ILE CA C 65.267 0.002 1 192 24 24 ILE CB C 37.918 0.170 1 193 24 24 ILE N N 121.190 0.095 1 194 25 25 TYR H H 8.498 0.010 1 195 25 25 TYR HA H 4.131 0.018 1 196 25 25 TYR HB2 H 3.216 0.023 2 197 25 25 TYR HB3 H 3.216 0.023 2 198 25 25 TYR CA C 61.694 0.084 1 199 25 25 TYR CB C 38.487 0.299 1 200 25 25 TYR N N 120.678 0.040 1 201 26 26 HIS H H 8.357 0.015 1 202 26 26 HIS HA H 4.042 0.022 1 203 26 26 HIS HB2 H 3.004 0.014 2 204 26 26 HIS HB3 H 3.004 0.014 2 205 26 26 HIS CA C 58.438 0.351 1 206 26 26 HIS CB C 28.994 0.025 1 207 26 26 HIS N N 115.110 0.077 1 208 27 27 ALA H H 8.033 0.017 1 209 27 27 ALA HA H 4.302 0.011 1 210 27 27 ALA HB H 1.551 0.012 1 211 27 27 ALA CA C 54.208 0.026 1 212 27 27 ALA CB C 18.992 0.106 1 213 27 27 ALA N N 122.845 0.093 1 214 28 28 VAL H H 8.047 0.014 1 215 28 28 VAL HA H 4.417 0.014 1 216 28 28 VAL HB H 2.136 0.008 1 217 28 28 VAL HG1 H 1.007 0.020 2 218 28 28 VAL HG2 H 0.935 0.007 2 219 28 28 VAL CA C 64.676 0.029 1 220 28 28 VAL CB C 31.849 0.169 1 221 28 28 VAL CG1 C 22.250 0.000 1 222 28 28 VAL CG2 C 22.250 0.000 1 223 28 28 VAL N N 117.825 0.048 1 224 29 29 ASP H H 8.284 0.016 1 225 29 29 ASP HA H 4.358 0.032 1 226 29 29 ASP HB2 H 2.564 0.009 2 227 29 29 ASP HB3 H 2.417 0.005 2 228 29 29 ASP CA C 56.050 0.127 1 229 29 29 ASP CB C 41.846 0.006 1 230 29 29 ASP N N 121.444 0.079 1 231 30 30 SER H H 8.112 0.017 1 232 30 30 SER HA H 3.946 0.021 1 233 30 30 SER HB2 H 4.312 0.000 2 234 30 30 SER HB3 H 4.312 0.000 2 235 30 30 SER CA C 60.037 0.001 1 236 30 30 SER CB C 63.506 0.020 1 237 30 30 SER N N 113.709 0.076 1 238 31 31 THR H H 7.937 0.017 1 239 31 31 THR HA H 4.248 0.024 1 240 31 31 THR HG2 H 2.659 0.000 1 241 31 31 THR CA C 64.028 0.025 1 242 31 31 THR CB C 69.435 0.040 1 243 31 31 THR N N 115.090 0.069 1 244 32 32 MET H H 8.008 0.018 1 245 32 32 MET HA H 4.444 0.005 1 246 32 32 MET HB2 H 2.583 0.000 2 247 32 32 MET HB3 H 2.583 0.000 2 248 32 32 MET CA C 55.925 0.025 1 249 32 32 MET CB C 33.062 0.024 1 250 32 32 MET N N 119.973 0.097 1 251 33 33 SER H H 7.948 0.010 1 252 33 33 SER HA H 4.688 0.012 1 253 33 33 SER HB2 H 3.861 0.016 2 254 33 33 SER HB3 H 3.861 0.016 2 255 33 33 SER CA C 56.460 0.000 1 256 33 33 SER CB C 63.477 0.000 1 257 33 33 SER N N 116.167 0.104 1 258 34 34 PRO HA H 4.427 0.013 1 259 34 34 PRO HB2 H 2.042 0.017 2 260 34 34 PRO HB3 H 2.042 0.017 2 261 34 34 PRO HG2 H 2.290 0.000 2 262 34 34 PRO HG3 H 2.290 0.000 2 263 34 34 PRO CA C 63.587 0.166 1 264 34 34 PRO CB C 31.943 0.000 1 265 35 35 LYS H H 8.274 0.014 1 266 35 35 LYS HA H 4.194 0.008 1 267 35 35 LYS HB2 H 1.762 0.002 2 268 35 35 LYS HB3 H 1.762 0.002 2 269 35 35 LYS CA C 57.033 0.010 1 270 35 35 LYS CB C 32.843 0.088 1 271 35 35 LYS N N 119.959 0.076 1 272 36 36 ASN H H 8.176 0.010 1 273 36 36 ASN HB2 H 2.784 0.000 2 274 36 36 ASN HB3 H 2.784 0.000 2 275 36 36 ASN CA C 53.566 0.012 1 276 36 36 ASN CB C 38.881 0.005 1 277 36 36 ASN N N 118.318 0.058 1 278 37 37 ARG H H 8.137 0.020 1 279 37 37 ARG HA H 4.251 0.000 1 280 37 37 ARG HB2 H 1.868 0.000 2 281 37 37 ARG HB3 H 1.868 0.000 2 282 37 37 ARG HG2 H 1.577 0.000 2 283 37 37 ARG HG3 H 1.577 0.000 2 284 37 37 ARG HD2 H 3.154 0.000 2 285 37 37 ARG HD3 H 3.154 0.000 2 286 37 37 ARG CA C 56.489 0.010 1 287 37 37 ARG CB C 30.700 0.001 1 288 37 37 ARG N N 120.720 0.066 1 289 38 38 LEU H H 8.120 0.009 1 290 38 38 LEU HA H 4.270 0.006 1 291 38 38 LEU HB2 H 1.570 0.000 2 292 38 38 LEU HB3 H 1.570 0.000 2 293 38 38 LEU HG H 1.599 0.002 1 294 38 38 LEU HD1 H 0.865 0.010 2 295 38 38 LEU HD2 H 0.865 0.010 2 296 38 38 LEU CA C 55.324 0.004 1 297 38 38 LEU CB C 42.252 0.047 1 298 38 38 LEU N N 121.981 0.058 1 299 39 39 GLU H H 8.155 0.022 1 300 39 39 GLU HA H 4.046 0.028 1 301 39 39 GLU HB2 H 1.898 0.017 2 302 39 39 GLU HB3 H 1.898 0.017 2 303 39 39 GLU CA C 56.513 0.000 1 304 39 39 GLU CB C 30.598 0.000 1 305 39 39 GLU N N 120.743 0.094 1 306 44 44 HIS HB2 H 3.091 0.000 2 307 44 44 HIS HB3 H 3.091 0.000 2 308 44 44 HIS CA C 55.910 0.000 1 309 44 44 HIS CB C 30.130 0.000 1 310 45 45 HIS H H 8.012 0.013 1 311 45 45 HIS HA H 4.395 0.000 1 312 45 45 HIS CA C 57.260 0.000 1 313 45 45 HIS CB C 30.480 0.000 1 314 45 45 HIS N N 125.400 0.067 1 stop_ save_