data_50159 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Oligosaccharyltransferase subunit Ost4p ; _BMRB_accession_number 50159 _BMRB_flat_file_name bmr50159.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" 205 "13C chemical shifts" 109 "15N chemical shifts" 40 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-30 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50160 'Point mutant of Oligosaccharyltransferase subunit, Ost4V23D' 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 'Oligosachharyltransferase subunit Ost4p' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Polymer $entity_1_Yeast_Oligosaccharyltransferase_subunit_Ost4p stop_ _System_molecular_weight . _System_physical_state 'Reconstituted in DPC' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1_Yeast_Oligosaccharyltransferase_subunit_Ost4p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Yeast Oligosaccharyltransferase subunit Ost4p' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; MISDEQLNSLAITFGIVMMT LIVIYHAVDSTMSPKNRLEH 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 VAL 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_Yeast_Oligosaccharyltransferase_subunit_Ost4p "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_Yeast_Oligosaccharyltransferase_subunit_Ost4p 'recombinant technology' . . . . plasmid Pet23a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_Ost4p _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1_Yeast_Oligosaccharyltransferase_subunit_Ost4p 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' 'chemical shift calculation' collection 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_800_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_Ost4p save_ save_1_H-_13_C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1 H- 13 C HSQC' _Sample_label $sample_1_Ost4p save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1_Ost4p save_ save_3D_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label $sample_1_Ost4p save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1_Ost4p save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1_Ost4p save_ save_3D_HNHAHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $sample_1_Ost4p save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1_Ost4p 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_Ost4p save_ save_3D_H(CCO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH-TOCSY' _Sample_label $sample_1_Ost4p 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_Ost4p 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_H2O _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 internal 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_Ost4p stop_ _Sample_conditions_label $sample_conditions_1_Solution _Chem_shift_reference_set_label $chem_shift_reference_1_H2O _Mol_system_component_name Polymer _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 8.917 0.008 1 2 1 1 MET HA H 4.422 0.018 1 3 1 1 MET HB2 H 2.087 0.019 2 4 1 1 MET HB3 H 2.087 0.019 2 5 1 1 MET HG2 H 2.622 0.032 2 6 1 1 MET HG3 H 2.622 0.032 2 7 1 1 MET CA C 57.246 0.093 1 8 1 1 MET CB C 34.095 0.393 1 9 1 1 MET N N 122.254 0.176 1 10 2 2 ILE H H 7.792 0.019 1 11 2 2 ILE HA H 4.373 0.018 1 12 2 2 ILE HB H 1.869 0.016 1 13 2 2 ILE HG12 H 1.488 0.019 2 14 2 2 ILE HG13 H 1.488 0.019 2 15 2 2 ILE HG2 H 1.155 0.029 1 16 2 2 ILE HD1 H 0.910 0.016 1 17 2 2 ILE CA C 60.230 0.544 1 18 2 2 ILE CB C 39.082 0.343 1 19 2 2 ILE CG1 C 27.355 0.000 1 20 2 2 ILE CG2 C 17.684 0.000 1 21 2 2 ILE CD1 C 13.055 0.000 1 22 2 2 ILE N N 116.424 0.125 1 23 3 3 SER H H 8.585 0.010 1 24 3 3 SER HA H 4.517 0.021 1 25 3 3 SER HB2 H 4.206 0.008 2 26 3 3 SER HB3 H 3.911 0.030 2 27 3 3 SER CA C 58.249 0.129 1 28 3 3 SER CB C 64.340 0.303 1 29 3 3 SER N N 120.699 0.145 1 30 4 4 ASP H H 8.607 0.008 1 31 4 4 ASP HA H 4.417 0.031 1 32 4 4 ASP HB2 H 2.672 0.019 2 33 4 4 ASP HB3 H 2.672 0.019 2 34 4 4 ASP CA C 56.838 0.158 1 35 4 4 ASP CB C 41.000 0.224 1 36 4 4 ASP N N 122.160 0.114 1 37 5 5 GLU H H 8.648 0.014 1 38 5 5 GLU HA H 4.155 0.017 1 39 5 5 GLU HB2 H 2.028 0.027 2 40 5 5 GLU HB3 H 2.028 0.027 2 41 5 5 GLU HG2 H 2.341 0.022 2 42 5 5 GLU HG3 H 2.341 0.022 2 43 5 5 GLU CA C 59.200 0.088 1 44 5 5 GLU CB C 29.543 0.037 1 45 5 5 GLU N N 120.055 0.138 1 46 6 6 GLN H H 7.948 0.021 1 47 6 6 GLN HA H 4.177 0.021 1 48 6 6 GLN HB2 H 2.044 0.027 2 49 6 6 GLN HB3 H 2.044 0.027 2 50 6 6 GLN HG2 H 2.280 0.027 2 51 6 6 GLN HG3 H 2.280 0.027 2 52 6 6 GLN HE21 H 7.595 0.002 2 53 6 6 GLN HE22 H 6.764 0.000 2 54 6 6 GLN CA C 58.177 0.067 1 55 6 6 GLN CB C 29.514 0.345 1 56 6 6 GLN CG C 35.909 0.710 1 57 6 6 GLN N N 119.589 0.166 1 58 6 6 GLN NE2 N 111.055 0.010 1 59 7 7 LEU H H 8.242 0.014 1 60 7 7 LEU HA H 4.082 0.016 1 61 7 7 LEU HB2 H 1.749 0.023 2 62 7 7 LEU HB3 H 1.749 0.023 2 63 7 7 LEU HD1 H 0.988 0.016 2 64 7 7 LEU HD2 H 0.988 0.016 2 65 7 7 LEU CA C 57.925 0.066 1 66 7 7 LEU CB C 41.856 0.230 1 67 7 7 LEU N N 120.736 0.159 1 68 8 8 ASN H H 8.218 0.016 1 69 8 8 ASN HA H 4.435 0.020 1 70 8 8 ASN HB2 H 2.941 0.012 2 71 8 8 ASN HB3 H 2.758 0.032 2 72 8 8 ASN CA C 56.511 0.042 1 73 8 8 ASN CB C 38.683 0.127 1 74 8 8 ASN N N 117.457 0.110 1 75 9 9 SER H H 7.979 0.016 1 76 9 9 SER HA H 4.409 0.018 1 77 9 9 SER HB2 H 4.209 0.014 2 78 9 9 SER HB3 H 4.005 0.019 2 79 9 9 SER CA C 61.829 0.118 1 80 9 9 SER CB C 65.043 1.252 1 81 9 9 SER N N 114.425 0.124 1 82 10 10 LEU H H 8.365 0.024 1 83 10 10 LEU HA H 4.088 0.026 1 84 10 10 LEU HB2 H 1.874 0.025 2 85 10 10 LEU HB3 H 1.874 0.025 2 86 10 10 LEU HG H 1.665 0.015 1 87 10 10 LEU CA C 58.181 0.074 1 88 10 10 LEU CB C 42.102 0.135 1 89 10 10 LEU CG C 29.232 0.000 1 90 10 10 LEU CD1 C 24.983 0.000 1 91 10 10 LEU CD2 C 24.457 0.000 1 92 10 10 LEU N N 124.404 0.191 1 93 11 11 ALA H H 8.458 0.025 1 94 11 11 ALA HA H 4.029 0.026 1 95 11 11 ALA HB H 1.539 0.020 1 96 11 11 ALA CA C 55.993 0.070 1 97 11 11 ALA CB C 19.042 0.461 1 98 11 11 ALA N N 121.434 0.117 1 99 12 12 ILE H H 8.036 0.028 1 100 12 12 ILE HA H 3.711 0.019 1 101 12 12 ILE HB H 2.059 0.014 1 102 12 12 ILE HG12 H 1.950 0.029 2 103 12 12 ILE HG13 H 1.950 0.029 2 104 12 12 ILE HD1 H 0.988 0.000 1 105 12 12 ILE CA C 65.386 0.230 1 106 12 12 ILE CG2 C 17.596 0.000 1 107 12 12 ILE N N 116.233 0.204 1 108 13 13 THR H H 7.921 0.011 1 109 13 13 THR HA H 4.290 0.009 1 110 13 13 THR HB H 3.770 0.035 1 111 13 13 THR HG2 H 1.131 0.010 1 112 13 13 THR CA C 61.741 0.000 1 113 13 13 THR CB C 68.351 0.036 1 114 13 13 THR CG2 C 21.573 0.034 1 115 13 13 THR N N 116.284 0.109 1 116 14 14 PHE H H 8.788 0.012 1 117 14 14 PHE HA H 4.058 0.019 1 118 14 14 PHE HB2 H 3.157 0.020 2 119 14 14 PHE HB3 H 3.157 0.020 2 120 14 14 PHE CA C 61.747 0.162 1 121 14 14 PHE CB C 39.165 0.085 1 122 14 14 PHE N N 120.212 0.131 1 123 15 15 GLY H H 8.622 0.019 1 124 15 15 GLY HA2 H 3.632 0.007 2 125 15 15 GLY HA3 H 3.632 0.007 2 126 15 15 GLY CA C 47.834 0.068 1 127 15 15 GLY N N 106.494 0.150 1 128 16 16 ILE H H 8.407 0.025 1 129 16 16 ILE HA H 4.240 0.004 1 130 16 16 ILE HB H 1.886 0.013 1 131 16 16 ILE HG12 H 1.522 0.005 2 132 16 16 ILE HG13 H 1.522 0.005 2 133 16 16 ILE HG2 H 1.211 0.000 1 134 16 16 ILE HD1 H 0.840 0.025 1 135 16 16 ILE CA C 65.404 0.090 1 136 16 16 ILE CB C 38.815 0.560 1 137 16 16 ILE N N 121.267 0.150 1 138 17 17 VAL H H 8.404 0.014 1 139 17 17 VAL HA H 3.423 0.011 1 140 17 17 VAL HB H 2.111 0.025 1 141 17 17 VAL HG1 H 0.980 0.019 2 142 17 17 VAL HG2 H 0.980 0.019 2 143 17 17 VAL CA C 67.832 0.128 1 144 17 17 VAL CB C 32.349 0.750 1 145 17 17 VAL CG1 C 21.265 0.000 1 146 17 17 VAL CG2 C 20.423 0.000 1 147 17 17 VAL N N 122.705 0.163 1 148 18 18 MET H H 8.464 0.015 1 149 18 18 MET HA H 4.082 0.012 1 150 18 18 MET HB2 H 2.130 0.021 2 151 18 18 MET HB3 H 2.130 0.021 2 152 18 18 MET HG2 H 2.538 0.029 2 153 18 18 MET HG3 H 2.538 0.029 2 154 18 18 MET CA C 58.201 0.045 1 155 18 18 MET CB C 32.437 0.784 1 156 18 18 MET CG C 30.839 0.000 1 157 18 18 MET N N 117.194 0.155 1 158 19 19 MET H H 8.352 0.019 1 159 19 19 MET HA H 4.066 0.010 1 160 19 19 MET HB2 H 2.134 0.012 2 161 19 19 MET HB3 H 2.134 0.012 2 162 19 19 MET HG2 H 2.656 0.000 2 163 19 19 MET HG3 H 2.656 0.000 2 164 19 19 MET CA C 58.694 0.000 1 165 19 19 MET CB C 33.399 0.262 1 166 19 19 MET CG C 30.802 0.000 1 167 19 19 MET N N 116.501 0.152 1 168 20 20 THR H H 8.161 0.013 1 169 20 20 THR HA H 4.308 0.021 1 170 20 20 THR HB H 3.657 0.026 1 171 20 20 THR HG2 H 1.096 0.022 1 172 20 20 THR CA C 60.800 0.000 1 173 20 20 THR CB C 68.502 0.036 1 174 20 20 THR CG2 C 21.545 0.000 1 175 20 20 THR N N 120.138 0.097 1 176 21 21 LEU H H 8.509 0.014 1 177 21 21 LEU HA H 3.963 0.009 1 178 21 21 LEU HB2 H 1.647 0.007 2 179 21 21 LEU HB3 H 1.647 0.007 2 180 21 21 LEU HD1 H 0.948 0.023 2 181 21 21 LEU HD2 H 0.948 0.023 2 182 21 21 LEU CA C 55.102 0.234 1 183 21 21 LEU CB C 42.709 0.333 1 184 21 21 LEU CG C 26.595 0.000 1 185 21 21 LEU CD1 C 24.271 0.000 1 186 21 21 LEU N N 119.574 0.155 1 187 22 22 ILE H H 8.105 0.020 1 188 22 22 ILE HA H 4.061 0.036 1 189 22 22 ILE HB H 2.011 0.026 1 190 22 22 ILE HG12 H 1.552 0.022 2 191 22 22 ILE HG13 H 1.230 0.016 2 192 22 22 ILE HG2 H 1.054 0.032 1 193 22 22 ILE HD1 H 0.807 0.020 1 194 22 22 ILE CA C 60.959 0.000 1 195 22 22 ILE CB C 40.207 0.998 1 196 22 22 ILE CG1 C 26.611 0.122 1 197 22 22 ILE CG2 C 17.036 0.021 1 198 22 22 ILE CD1 C 13.662 0.202 1 199 22 22 ILE N N 115.874 0.161 1 200 23 23 VAL H H 8.098 0.015 1 201 23 23 VAL HA H 3.695 0.018 1 202 23 23 VAL HB H 2.387 0.011 1 203 23 23 VAL HG1 H 0.999 0.018 2 204 23 23 VAL HG2 H 1.128 0.000 2 205 23 23 VAL CA C 67.112 0.712 1 206 23 23 VAL CB C 31.269 0.170 1 207 23 23 VAL CG1 C 21.132 0.000 1 208 23 23 VAL N N 118.530 0.174 1 209 24 24 ILE H H 8.676 0.015 1 210 24 24 ILE HA H 3.991 0.029 1 211 24 24 ILE HB H 1.940 0.036 1 212 24 24 ILE HG12 H 1.781 0.014 2 213 24 24 ILE HG13 H 1.781 0.014 2 214 24 24 ILE HG2 H 1.706 0.024 1 215 24 24 ILE HD1 H 0.847 0.025 1 216 24 24 ILE CA C 57.984 0.174 1 217 24 24 ILE CB C 42.016 0.135 1 218 24 24 ILE N N 119.155 0.176 1 219 25 25 TYR H H 8.244 0.022 1 220 25 25 TYR HA H 4.706 0.024 1 221 25 25 TYR HB2 H 2.846 0.030 2 222 25 25 TYR HB3 H 2.846 0.030 2 223 25 25 TYR CA C 56.619 0.135 1 224 25 25 TYR CB C 38.877 0.078 1 225 25 25 TYR N N 118.647 0.144 1 226 26 26 HIS H H 8.169 0.032 1 227 26 26 HIS HA H 4.126 0.023 1 228 26 26 HIS HB2 H 3.184 0.017 2 229 26 26 HIS HB3 H 3.125 0.029 2 230 26 26 HIS CA C 57.380 0.522 1 231 26 26 HIS CB C 30.873 0.368 1 232 26 26 HIS N N 115.067 0.137 1 233 27 27 ALA H H 8.547 0.018 1 234 27 27 ALA HA H 4.121 0.019 1 235 27 27 ALA HB H 1.511 0.021 1 236 27 27 ALA CA C 54.573 0.441 1 237 27 27 ALA CB C 19.159 0.351 1 238 27 27 ALA N N 122.039 0.180 1 239 28 28 VAL H H 8.127 0.023 1 240 28 28 VAL HA H 3.809 0.015 1 241 28 28 VAL HB H 2.174 0.023 1 242 28 28 VAL HG1 H 0.943 0.020 2 243 28 28 VAL HG2 H 1.046 0.033 2 244 28 28 VAL CA C 61.610 0.000 1 245 28 28 VAL CB C 32.654 0.554 1 246 28 28 VAL CG1 C 20.592 0.000 1 247 28 28 VAL CG2 C 19.708 0.000 1 248 28 28 VAL N N 116.636 0.088 1 249 29 29 ASP H H 8.255 0.014 1 250 29 29 ASP HA H 4.381 0.010 1 251 29 29 ASP HB2 H 2.518 0.032 2 252 29 29 ASP HB3 H 2.518 0.032 2 253 29 29 ASP CA C 55.928 0.057 1 254 29 29 ASP CB C 42.051 0.112 1 255 29 29 ASP N N 121.210 0.163 1 256 30 30 SER H H 8.074 0.018 1 257 30 30 SER HA H 4.274 0.032 1 258 30 30 SER HB2 H 3.877 0.034 2 259 30 30 SER HB3 H 3.877 0.034 2 260 30 30 SER CA C 60.327 0.061 1 261 30 30 SER CB C 63.642 0.000 1 262 30 30 SER N N 113.228 0.173 1 263 31 31 THR H H 7.936 0.014 1 264 31 31 THR HA H 4.227 0.027 1 265 31 31 THR HB H 4.083 0.000 1 266 31 31 THR HG2 H 1.268 0.012 1 267 31 31 THR CA C 64.123 0.506 1 268 31 31 THR CB C 69.430 0.036 1 269 31 31 THR CG2 C 21.958 0.000 1 270 31 31 THR N N 114.056 0.136 1 271 32 32 MET H H 8.031 0.029 1 272 32 32 MET HA H 4.439 0.018 1 273 32 32 MET HB2 H 2.103 0.019 2 274 32 32 MET HB3 H 2.103 0.019 2 275 32 32 MET HG2 H 2.575 0.028 2 276 32 32 MET HG3 H 2.575 0.028 2 277 32 32 MET CA C 55.889 0.028 1 278 32 32 MET CB C 33.838 0.663 1 279 32 32 MET N N 119.704 0.230 1 280 33 33 SER H H 7.928 0.014 1 281 33 33 SER HA H 4.276 0.020 1 282 33 33 SER HB2 H 3.881 0.006 2 283 33 33 SER HB3 H 3.881 0.006 2 284 33 33 SER CA C 56.468 0.000 1 285 33 33 SER CB C 63.423 0.000 1 286 33 33 SER N N 116.057 0.254 1 287 34 34 PRO HA H 4.261 0.011 1 288 34 34 PRO HB2 H 2.228 0.037 2 289 34 34 PRO HB3 H 2.228 0.037 2 290 34 34 PRO CA C 63.878 0.217 1 291 34 34 PRO CB C 31.886 0.002 1 292 35 35 LYS H H 8.282 0.020 1 293 35 35 LYS HA H 4.207 0.031 1 294 35 35 LYS HB2 H 1.850 0.020 2 295 35 35 LYS HB3 H 1.850 0.020 2 296 35 35 LYS HG2 H 1.440 0.018 2 297 35 35 LYS HG3 H 1.440 0.018 2 298 35 35 LYS HD2 H 1.725 0.018 2 299 35 35 LYS HD3 H 1.725 0.018 2 300 35 35 LYS HE2 H 3.014 0.007 2 301 35 35 LYS HE3 H 3.014 0.007 2 302 35 35 LYS CA C 57.557 0.188 1 303 35 35 LYS CB C 33.288 0.543 1 304 35 35 LYS CG C 24.798 0.060 1 305 35 35 LYS CD C 29.157 0.000 1 306 35 35 LYS CE C 42.280 0.000 1 307 35 35 LYS N N 120.067 0.325 1 308 36 36 ASN H H 8.179 0.018 1 309 36 36 ASN HA H 4.481 0.023 1 310 36 36 ASN HB2 H 2.855 0.009 2 311 36 36 ASN HB3 H 2.783 0.002 2 312 36 36 ASN CA C 54.344 0.535 1 313 36 36 ASN CB C 38.838 0.070 1 314 36 36 ASN N N 118.062 0.247 1 315 37 37 ARG H H 8.124 0.023 1 316 37 37 ARG HA H 4.338 0.014 1 317 37 37 ARG HB2 H 1.860 0.016 2 318 37 37 ARG HB3 H 1.939 0.005 2 319 37 37 ARG HG2 H 1.767 0.015 2 320 37 37 ARG HG3 H 1.645 0.017 2 321 37 37 ARG CA C 56.391 0.170 1 322 37 37 ARG CB C 30.661 0.139 1 323 37 37 ARG N N 120.568 0.199 1 324 38 38 LEU H H 8.248 0.013 1 325 38 38 LEU HA H 4.367 0.016 1 326 38 38 LEU HB2 H 1.654 0.006 2 327 38 38 LEU HB3 H 1.654 0.006 2 328 38 38 LEU HG H 1.061 0.000 1 329 38 38 LEU HD1 H 0.918 0.000 2 330 38 38 LEU HD2 H 0.918 0.000 2 331 38 38 LEU CA C 55.323 0.141 1 332 38 38 LEU CB C 42.407 0.227 1 333 38 38 LEU CG C 27.094 0.000 1 334 38 38 LEU CD1 C 24.861 0.000 1 335 38 38 LEU CD2 C 23.699 0.000 1 336 38 38 LEU N N 123.261 0.204 1 337 39 39 GLU H H 7.729 0.012 1 338 39 39 GLU HA H 4.139 0.009 1 339 39 39 GLU HB2 H 1.935 0.030 2 340 39 39 GLU HB3 H 1.935 0.030 2 341 39 39 GLU HG2 H 2.179 0.000 2 342 39 39 GLU HG3 H 2.179 0.000 2 343 39 39 GLU CA C 57.929 0.123 1 344 39 39 GLU CB C 31.309 0.000 1 345 39 39 GLU N N 125.863 0.128 1 346 44 44 HIS CA C 55.900 0.000 1 347 44 44 HIS CB C 30.090 0.000 1 348 45 45 HIS H H 8.056 0.009 1 349 45 45 HIS HA H 4.395 0.000 1 350 45 45 HIS HB2 H 3.061 0.000 2 351 45 45 HIS HB3 H 3.061 0.000 2 352 45 45 HIS CA C 57.140 0.000 1 353 45 45 HIS CB C 30.330 0.000 1 354 45 45 HIS N N 125.300 0.062 1 stop_ save_