data_27728 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure determination of N-terminal fragment of UL49.5 protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics ; _BMRB_accession_number 27728 _BMRB_flat_file_name bmr27728.str _Entry_type original _Submission_date 2018-12-14 _Accession_date 2018-12-14 _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 Karska Natalia . . 2 Graul Malgorzata . . 3 Sikorska Emilia . . 4 Zhukov Igor . . 5 Slusarz Magdalena . . 6 Kasprzykowski Franciszek . . 7 Lipinska Andrea . . 8 Rodziewicz-Motowidlo Sylwia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 188 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27730 TMC.BHV stop_ _Original_release_date 2018-12-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure determination of UL49.5 transmembrane protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30772281 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Karska Natalia . . 2 Graul Malgorzata . . 3 Sikorska Emilia . . 4 Zhukov Igor . . 5 Slusarz Magdalena J. . 6 Kasprzykowski Franciszek . . 7 Lipinska Andrea D. . 8 Rodziewicz-Motowidlo Sylwia . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta Biomembr.' _Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Journal_volume 1861 _Journal_issue 5 _Journal_ISSN 1879-2642 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 926 _Page_last 938 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name N.BHV _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label N.BHV $N.BHV stop_ _System_molecular_weight 3819 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_N.BHV _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N.BHV _Molecular_mass 3819 _Mol_thiol_state 'not present' loop_ _Biological_function ; UL49.5 protein blocks the transporter associated with antigen processing (TAP). The interaction of the UL49.5 protein with the TAP complex blocks conformational rearrangements in TAP required for peptide translocation into the endoplasmic reticulum (ER). In addition, UL49.5 induces degradation of the transporter and the UL49.5 protein itself (18). A truncated form of the UL49.5 protein lacking the cytoplasmic tail can still block the translocation of peptides, but it fails to trigger degradation of the TAP complex. ; stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 35 _Mol_residue_sequence ; RDPLLDAXRREGAXDFWSAG XYARGVPLSEPPQAL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ARG 2 2 ASP 3 3 PRO 4 4 LEU 5 5 LEU 6 6 ASP 7 7 ALA 8 8 NLE 9 9 ARG 10 10 ARG 11 11 GLU 12 12 GLY 13 13 ALA 14 14 NLE 15 15 ASP 16 16 PHE 17 17 TRP 18 18 SER 19 19 ALA 20 20 GLY 21 21 ABA 22 22 TYR 23 23 ALA 24 24 ARG 25 25 GLY 26 26 VAL 27 27 PRO 28 28 LEU 29 29 SER 30 30 GLU 31 31 PRO 32 32 PRO 33 33 GLN 34 34 ALA 35 35 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_ABA _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common 'ALPHA-AMINOBUTYRIC ACID' _BMRB_code ABA _PDB_code ABA _Standard_residue_derivative . _Molecular_mass 103.120 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HB3 HB3 H . 0 . ? HB2 HB2 H . 0 . ? HG1 HG1 H . 0 . ? HG3 HG3 H . 0 . ? HG2 HG2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB3 ? ? SING CB HB2 ? ? SING CG HG1 ? ? SING CG HG3 ? ? SING CG HG2 ? ? SING OXT HXT ? ? stop_ save_ save_chem_comp_NLE _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common NORLEUCINE _BMRB_code NLE _PDB_code NLE _Standard_residue_derivative . _Molecular_mass 131.173 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? CE CE C . 0 . ? H H H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD CE ? ? SING CD HD2 ? ? SING CD HD3 ? ? SING CE HE1 ? ? SING CE HE2 ? ? SING CE HE3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $N.BHV BHV-1 10320 Viruses . Varicellovirus BHV-1 UL49.5 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 $N.BHV 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'NMR experiments were performed using 100 mM DPC-d38 in water (90%:10% H2O:D2O).' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N.BHV 4.8 mM 'natural abundance' DPC 100 mM 'natural abundance' 'Acetic Acid-d4' 0.02 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 15 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Uniform NMR System' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_ROESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H ROESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 5 . pH pressure 1 . atm temperature 303 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-1H ROESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name N.BHV _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 ARG HA H 3.85 0.02 1 2 1 1 ARG HB2 H 1.90 0.02 2 3 1 1 ARG HB3 H 1.90 0.02 2 4 1 1 ARG HG2 H 1.59 0.02 2 5 1 1 ARG HG3 H 1.59 0.02 2 6 2 2 ASP H H 9.09 0.02 1 7 2 2 ASP HA H 5.07 0.02 1 8 2 2 ASP HB2 H 2.99 0.02 1 9 2 2 ASP HB3 H 2.88 0.02 1 10 3 3 PRO HA H 4.02 0.02 1 11 3 3 PRO HB2 H 2.05 0.02 1 12 3 3 PRO HG2 H 1.92 0.02 2 13 3 3 PRO HG3 H 1.92 0.02 2 14 3 3 PRO HD2 H 3.57 0.02 1 15 3 3 PRO HD3 H 3.51 0.02 1 16 4 4 LEU H H 8.36 0.02 1 17 4 4 LEU HA H 4.12 0.02 1 18 4 4 LEU HB2 H 1.73 0.02 2 19 4 4 LEU HB3 H 1.73 0.02 2 20 4 4 LEU HG H 1.63 0.02 1 21 4 4 LEU HD1 H 0.93 0.02 2 22 4 4 LEU HD2 H 0.86 0.02 2 23 5 5 LEU H H 7.68 0.02 1 24 5 5 LEU HA H 3.96 0.02 1 25 5 5 LEU HB2 H 1.68 0.02 2 26 5 5 LEU HB3 H 1.68 0.02 2 27 5 5 LEU HG H 1.63 0.02 1 28 5 5 LEU HD1 H 0.93 0.02 2 29 5 5 LEU HD2 H 0.85 0.02 2 30 6 6 ASP H H 8.01 0.02 1 31 6 6 ASP HA H 4.34 0.02 1 32 6 6 ASP HB2 H 2.76 0.02 2 33 6 6 ASP HB3 H 2.76 0.02 2 34 7 7 ALA H H 7.85 0.02 1 35 7 7 ALA HA H 4.10 0.02 1 36 7 7 ALA HB H 1.51 0.02 1 37 8 8 NLE H H 8.08 0.02 1 38 8 8 NLE HA H 3.97 0.02 1 39 8 8 NLE HD2 H 1.24 0.02 2 40 8 8 NLE HD3 H 1.24 0.02 2 41 8 8 NLE HE1 H 0.80 0.02 2 42 8 8 NLE HE2 H 0.80 0.02 2 43 8 8 NLE HE3 H 0.80 0.02 2 44 9 9 ARG H H 8.08 0.02 1 45 9 9 ARG HA H 3.98 0.02 1 46 9 9 ARG HB2 H 1.98 0.02 1 47 9 9 ARG HB3 H 1.89 0.02 1 48 9 9 ARG HG2 H 1.76 0.02 1 49 9 9 ARG HG3 H 1.59 0.02 1 50 9 9 ARG HD2 H 3.15 0.02 2 51 9 9 ARG HD3 H 3.15 0.02 2 52 9 9 ARG HE H 7.50 0.02 1 53 10 10 ARG H H 7.89 0.02 1 54 10 10 ARG HA H 4.12 0.02 1 55 10 10 ARG HB2 H 1.92 0.02 2 56 10 10 ARG HB3 H 1.92 0.02 2 57 10 10 ARG HG2 H 1.76 0.02 1 58 10 10 ARG HG3 H 1.60 0.02 1 59 10 10 ARG HD2 H 3.19 0.02 2 60 10 10 ARG HD3 H 3.19 0.02 2 61 10 10 ARG HE H 7.35 0.02 1 62 11 11 GLU H H 8.02 0.02 1 63 11 11 GLU HA H 4.26 0.02 1 64 11 11 GLU HB2 H 2.17 0.02 2 65 11 11 GLU HB3 H 2.17 0.02 2 66 11 11 GLU HG2 H 2.50 0.02 1 67 11 11 GLU HG3 H 2.42 0.02 1 68 12 12 GLY H H 8.15 0.02 1 69 12 12 GLY HA2 H 3.88 0.02 2 70 12 12 GLY HA3 H 3.88 0.02 2 71 13 13 ALA H H 7.96 0.02 1 72 13 13 ALA HA H 4.12 0.02 1 73 13 13 ALA HB H 1.42 0.02 1 74 15 15 ASP H H 8.12 0.02 1 75 15 15 ASP HA H 4.45 0.02 1 76 15 15 ASP HB2 H 2.76 0.02 1 77 15 15 ASP HB3 H 2.71 0.02 1 78 16 16 PHE H H 7.93 0.02 1 79 16 16 PHE HA H 4.28 0.02 1 80 16 16 PHE HB2 H 2.99 0.02 2 81 16 16 PHE HB3 H 2.99 0.02 2 82 17 17 TRP H H 7.83 0.02 1 83 17 17 TRP HA H 4.42 0.02 1 84 17 17 TRP HB2 H 3.32 0.02 1 85 17 17 TRP HB3 H 3.21 0.02 1 86 17 17 TRP HD1 H 7.08 0.02 1 87 17 17 TRP HE3 H 7.43 0.02 1 88 17 17 TRP HZ2 H 7.23 0.02 1 89 17 17 TRP HH2 H 6.99 0.02 1 90 18 18 SER H H 7.96 0.02 1 91 18 18 SER HA H 4.23 0.02 1 92 18 18 SER HB2 H 3.88 0.02 1 93 18 18 SER HB3 H 3.81 0.02 1 94 19 19 ALA H H 8.07 0.02 1 95 19 19 ALA HA H 4.14 0.02 1 96 19 19 ALA HB H 1.39 0.02 1 97 20 20 GLY H H 8.15 0.02 1 98 20 20 GLY HA2 H 3.75 0.02 2 99 20 20 GLY HA3 H 3.75 0.02 2 100 21 21 ABA H H 7.84 0.02 1 101 21 21 ABA HA H 3.86 0.02 1 102 21 21 ABA HB2 H 1.61 0.02 2 103 21 21 ABA HB3 H 1.61 0.02 2 104 21 21 ABA HG1 H 0.69 0.02 2 105 21 21 ABA HG2 H 0.69 0.02 2 106 21 21 ABA HG3 H 0.69 0.02 2 107 22 22 TYR H H 7.86 0.02 1 108 22 22 TYR HA H 4.32 0.02 1 109 22 22 TYR HB2 H 3.02 0.02 1 110 22 22 TYR HB3 H 2.91 0.02 1 111 22 22 TYR HD1 H 7.03 0.02 3 112 22 22 TYR HD2 H 7.03 0.02 3 113 22 22 TYR HE1 H 6.75 0.02 3 114 22 22 TYR HE2 H 6.75 0.02 3 115 23 23 ALA H H 7.95 0.02 1 116 23 23 ALA HA H 4.11 0.02 1 117 23 23 ALA HB H 1.36 0.02 1 118 24 24 ARG H H 7.83 0.02 1 119 24 24 ARG HA H 4.17 0.02 1 120 24 24 ARG HB2 H 1.88 0.02 1 121 24 24 ARG HB3 H 1.75 0.02 1 122 24 24 ARG HG2 H 1.67 0.02 2 123 24 24 ARG HG3 H 1.67 0.02 2 124 24 24 ARG HD2 H 3.13 0.02 2 125 24 24 ARG HD3 H 3.13 0.02 2 126 24 24 ARG HE H 7.32 0.02 1 127 25 25 GLY H H 8.06 0.02 1 128 25 25 GLY HA2 H 3.87 0.02 2 129 25 25 GLY HA3 H 3.87 0.02 2 130 26 26 VAL H H 7.80 0.02 1 131 26 26 VAL HA H 4.30 0.02 1 132 26 26 VAL HB H 2.04 0.02 1 133 26 26 VAL HG1 H 0.89 0.02 2 134 26 26 VAL HG2 H 0.89 0.02 2 135 27 27 PRO HA H 4.40 0.02 1 136 27 27 PRO HB2 H 2.17 0.02 2 137 27 27 PRO HB3 H 2.17 0.02 2 138 27 27 PRO HG2 H 1.98 0.02 1 139 27 27 PRO HG3 H 1.92 0.02 1 140 27 27 PRO HD2 H 3.82 0.02 1 141 27 27 PRO HD3 H 3.57 0.02 1 142 28 28 LEU H H 8.11 0.02 1 143 28 28 LEU HA H 4.30 0.02 1 144 28 28 LEU HB2 H 1.61 0.02 2 145 28 28 LEU HB3 H 1.61 0.02 2 146 28 28 LEU HG H 1.57 0.02 1 147 28 28 LEU HD1 H 0.90 0.02 2 148 28 28 LEU HD2 H 0.84 0.02 2 149 29 29 SER H H 8.08 0.02 1 150 29 29 SER HA H 4.40 0.02 1 151 29 29 SER HB2 H 3.79 0.02 2 152 29 29 SER HB3 H 3.79 0.02 2 153 30 30 GLU H H 8.16 0.02 1 154 30 30 GLU HA H 4.64 0.02 1 155 30 30 GLU HB2 H 2.03 0.02 1 156 30 30 GLU HB3 H 1.83 0.02 1 157 30 30 GLU HG2 H 2.41 0.02 2 158 30 30 GLU HG3 H 2.41 0.02 2 159 31 31 PRO HA H 4.59 0.02 1 160 31 31 PRO HB2 H 2.26 0.02 2 161 31 31 PRO HB3 H 2.26 0.02 2 162 31 31 PRO HG2 H 1.98 0.02 1 163 31 31 PRO HG3 H 1.88 0.02 1 164 31 31 PRO HD2 H 3.76 0.02 1 165 31 31 PRO HD3 H 3.60 0.02 1 166 32 32 PRO HA H 4.34 0.02 1 167 32 32 PRO HB2 H 2.26 0.02 2 168 32 32 PRO HB3 H 2.26 0.02 2 169 32 32 PRO HG2 H 1.98 0.02 1 170 32 32 PRO HG3 H 1.87 0.02 1 171 32 32 PRO HD2 H 3.73 0.02 1 172 32 32 PRO HD3 H 3.58 0.02 1 173 33 33 GLN H H 8.47 0.02 1 174 33 33 GLN HA H 4.16 0.02 1 175 33 33 GLN HB2 H 2.03 0.02 1 176 33 33 GLN HB3 H 1.95 0.02 1 177 33 33 GLN HG2 H 2.35 0.02 2 178 33 33 GLN HG3 H 2.35 0.02 2 179 34 34 ALA H H 8.25 0.02 1 180 34 34 ALA HA H 4.22 0.02 1 181 34 34 ALA HB H 1.34 0.02 1 182 35 35 LEU H H 7.95 0.02 1 183 35 35 LEU HA H 4.22 0.02 1 184 35 35 LEU HB2 H 1.61 0.02 2 185 35 35 LEU HB3 H 1.61 0.02 2 186 35 35 LEU HG H 1.56 0.02 1 187 35 35 LEU HD1 H 0.88 0.02 2 188 35 35 LEU HD2 H 0.82 0.02 2 stop_ save_