data_27203 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Dm. Par3 PDZ2 domain ; _BMRB_accession_number 27203 _BMRB_flat_file_name bmr27203.str _Entry_type original _Submission_date 2017-08-07 _Accession_date 2017-08-07 _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 Bruekner Susanne R. . 2 Renschler Fabian A. . 3 Wiesner Silke . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 61 "13C chemical shifts" 129 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27197 'Chemical Shift Assignments for Dm. Par3 PDZ1 domain' 27198 'Chemical Shift Assignments for Dm. Par3 PDZ3 domain' 27204 'Chemical Shift Assignments for Hs. Par3 PDZ2 domain' 27205 'Chemical Shift Assignments for Hs. Par3 PDZ3 domain' stop_ _Original_release_date 2017-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the interaction between the cell polarity proteins Par3 and Par6 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29440511 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Renschler Fabian A. . 2 Bruekner Susanne R. . 3 Salomon Paulin L. . 4 Mukherjee Amrita . . 5 Kullmann Lars . . 6 Schutz-Stoffregen Mira C. . 7 Henzler Christine . . 8 Pawson Tony . . 9 Krahn Michael P. . 10 Wiesner Silke . . stop_ _Journal_abbreviation 'Sci. Signal.' _Journal_name_full 'Science signaling' _Journal_volume 11 _Journal_issue 517 _Journal_ISSN 1937-9145 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9899 _Page_last 9899 _Year 2018 _Details . loop_ _Keyword 'PDZ domain' 'Par proteins' Par3 Par6 'cell polarity' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Dm. Par3 PDZ2 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Dm. Par3 PDZ2 domain' $Par3_PDZ2_domain 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_Par3_PDZ2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Par3_PDZ2_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GAMGKLGRKIEIMLKKGPNG LGFSVTTRDNPAGGHCPIYI KNILPRGAAIEDGRLKPGDR LLEVDGTPMTGKTQTDVVAI LRGMPAGATVRIVVSRQQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 ALA 3 3 MET 4 4 GLY 5 5 LYS 6 6 LEU 7 7 GLY 8 8 ARG 9 9 LYS 10 10 ILE 11 11 GLU 12 12 ILE 13 13 MET 14 14 LEU 15 15 LYS 16 16 LYS 17 17 GLY 18 18 PRO 19 19 ASN 20 20 GLY 21 21 LEU 22 22 GLY 23 23 PHE 24 24 SER 25 25 VAL 26 26 THR 27 27 THR 28 28 ARG 29 29 ASP 30 30 ASN 31 31 PRO 32 32 ALA 33 33 GLY 34 34 GLY 35 35 HIS 36 36 CYS 37 37 PRO 38 38 ILE 39 39 TYR 40 40 ILE 41 41 LYS 42 42 ASN 43 43 ILE 44 44 LEU 45 45 PRO 46 46 ARG 47 47 GLY 48 48 ALA 49 49 ALA 50 50 ILE 51 51 GLU 52 52 ASP 53 53 GLY 54 54 ARG 55 55 LEU 56 56 LYS 57 57 PRO 58 58 GLY 59 59 ASP 60 60 ARG 61 61 LEU 62 62 LEU 63 63 GLU 64 64 VAL 65 65 ASP 66 66 GLY 67 67 THR 68 68 PRO 69 69 MET 70 70 THR 71 71 GLY 72 72 LYS 73 73 THR 74 74 GLN 75 75 THR 76 76 ASP 77 77 VAL 78 78 VAL 79 79 ALA 80 80 ILE 81 81 LEU 82 82 ARG 83 83 GLY 84 84 MET 85 85 PRO 86 86 ALA 87 87 GLY 88 88 ALA 89 89 THR 90 90 VAL 91 91 ARG 92 92 ILE 93 93 VAL 94 94 VAL 95 95 SER 96 96 ARG 97 97 GLN 98 98 GLN 99 99 GLU 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 $Par3_PDZ2_domain 'fruit fly' 7227 Eukaryota Metazoa Drosophila Melanogaster 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 $Par3_PDZ2_domain 'recombinant technology' . Escherichia coli . pETM-30 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 $Par3_PDZ2_domain 0.3 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 293 . 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 water C 13 protons ppm 0 internal indirect . . . . water H 1 protons ppm 4.8 internal indirect . . . 1 water N 15 protons ppm 0 internal indirect . . . . 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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' 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 'Dm. Par3 PDZ2 domain' _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 9 9 LYS CA C 56.565 0.000 1 2 9 9 LYS CB C 33.755 0.000 1 3 10 10 ILE H H 9.161 0.000 1 4 10 10 ILE CA C 61.534 0.100 1 5 10 10 ILE CB C 41.492 0.201 1 6 10 10 ILE N N 126.295 0.000 1 7 11 11 GLU H H 8.521 0.000 1 8 11 11 GLU CA C 55.231 0.133 1 9 11 11 GLU CB C 31.743 0.076 1 10 11 11 GLU N N 127.107 0.000 1 11 12 12 ILE H H 9.357 0.000 1 12 12 12 ILE CA C 60.633 0.066 1 13 12 12 ILE CB C 42.959 0.067 1 14 12 12 ILE N N 126.701 0.000 1 15 13 13 MET H H 7.606 0.000 1 16 13 13 MET CA C 54.164 0.133 1 17 13 13 MET CB C 33.748 0.073 1 18 13 13 MET N N 124.365 0.000 1 19 14 14 LEU H H 8.820 0.000 1 20 14 14 LEU CA C 52.896 0.066 1 21 14 14 LEU CB C 46.593 0.033 1 22 14 14 LEU N N 122.638 0.000 1 23 15 15 LYS H H 8.769 0.000 1 24 15 15 LYS CA C 54.875 0.089 1 25 15 15 LYS CB C 33.727 0.161 1 26 15 15 LYS N N 123.349 0.000 1 27 16 16 LYS H H 8.947 0.000 1 28 16 16 LYS CA C 57.599 0.100 1 29 16 16 LYS CB C 32.254 0.167 1 30 16 16 LYS N N 127.107 0.000 1 31 17 17 GLY H H 7.350 0.000 1 32 17 17 GLY CA C 45.093 0.000 1 33 17 17 GLY N N 116.545 0.000 1 34 23 23 PHE CA C 56.765 0.000 1 35 23 23 PHE CB C 41.892 0.000 1 36 24 24 SER H H 8.993 0.000 1 37 24 24 SER CA C 55.131 0.100 1 38 24 24 SER CB C 67.270 0.033 1 39 24 24 SER N N 116.341 0.000 1 40 25 25 VAL H H 8.932 0.000 1 41 25 25 VAL CA C 59.667 0.167 1 42 25 25 VAL CB C 35.823 0.066 1 43 25 25 VAL N N 112.888 0.000 1 44 26 26 THR H H 9.250 0.000 1 45 26 26 THR CA C 60.033 0.000 1 46 26 26 THR CB C 70.271 0.100 1 47 26 26 THR N N 113.904 0.000 1 48 27 27 THR H H 8.273 0.000 1 49 27 27 THR CA C 61.067 0.100 1 50 27 27 THR CB C 71.072 0.034 1 51 27 27 THR N N 115.224 0.000 1 52 28 28 ARG H H 9.024 0.000 1 53 28 28 ARG CA C 56.398 0.100 1 54 28 28 ARG CB C 31.653 0.167 1 55 28 28 ARG N N 121.318 0.000 1 56 29 29 ASP H H 8.355 0.000 1 57 29 29 ASP CA C 50.584 6.336 1 58 29 29 ASP CB C 41.358 0.000 1 59 29 29 ASP N N 119.591 0.000 1 60 30 30 ASN H H 8.384 0.000 1 61 30 30 ASN CA C 51.896 0.000 1 62 30 30 ASN CB C 40.291 0.000 1 63 30 30 ASN N N 119.621 0.000 1 64 37 37 PRO CA C 63.035 0.000 1 65 37 37 PRO CB C 32.754 0.000 1 66 38 38 ILE H H 8.170 0.000 1 67 38 38 ILE CA C 59.066 0.033 1 68 38 38 ILE CB C 38.990 0.100 1 69 38 38 ILE N N 119.998 0.000 1 70 39 39 TYR H H 8.937 0.000 1 71 39 39 TYR CA C 56.398 0.100 1 72 39 39 TYR CB C 42.759 0.000 1 73 39 39 TYR N N 122.943 0.000 1 74 40 40 ILE H H 9.270 0.000 1 75 40 40 ILE CA C 60.701 0.066 1 76 40 40 ILE CB C 35.556 0.133 1 77 40 40 ILE N N 119.591 0.000 1 78 41 41 LYS H H 9.410 0.000 1 79 41 41 LYS CA C 58.065 0.167 1 80 41 41 LYS CB C 32.987 0.034 1 81 41 41 LYS N N 108.318 0.000 1 82 42 42 ASN H H 7.483 0.000 1 83 42 42 ASN CA C 52.196 0.034 1 84 42 42 ASN CB C 41.859 0.167 1 85 42 42 ASN N N 112.177 0.000 1 86 43 43 ILE H H 8.665 0.000 1 87 43 43 ILE CA C 59.033 0.200 1 88 43 43 ILE CB C 36.056 0.034 1 89 43 43 ILE N N 121.420 0.000 1 90 44 44 LEU H H 8.037 0.000 1 91 44 44 LEU CA C 54.431 0.000 1 92 44 44 LEU CB C 40.091 0.000 1 93 44 44 LEU N N 128.935 0.000 1 94 46 46 ARG CA C 54.898 0.000 1 95 46 46 ARG CB C 32.954 0.000 1 96 47 47 GLY H H 8.421 0.000 1 97 47 47 GLY CA C 44.092 0.066 1 98 47 47 GLY N N 108.216 0.000 1 99 48 48 ALA H H 7.603 0.000 1 100 48 48 ALA CA C 55.365 0.134 1 101 48 48 ALA CB C 20.348 0.134 1 102 48 48 ALA N N 118.068 0.000 1 103 49 49 ALA H H 8.611 0.000 1 104 49 49 ALA CA C 55.998 0.100 1 105 49 49 ALA CB C 18.781 0.100 1 106 49 49 ALA N N 118.474 0.000 1 107 50 50 ILE H H 9.669 0.000 1 108 50 50 ILE CA C 64.335 0.234 1 109 50 50 ILE CB C 37.090 0.000 1 110 50 50 ILE N N 124.060 0.000 1 111 51 51 GLU H H 7.021 0.000 1 112 51 51 GLU CA C 58.866 0.100 1 113 51 51 GLU CB C 29.553 0.000 1 114 51 51 GLU N N 122.740 0.000 1 115 52 52 ASP H H 7.915 0.000 1 116 52 52 ASP CA C 57.099 0.200 1 117 52 52 ASP CB C 44.727 0.033 1 118 52 52 ASP N N 118.576 0.000 1 119 53 53 GLY H H 7.937 0.000 1 120 53 53 GLY CA C 46.761 0.000 1 121 53 53 GLY N N 129.138 0.000 1 122 61 61 LEU CA C 55.236 0.000 1 123 61 61 LEU CB C 42.892 0.000 1 124 62 62 LEU H H 9.046 0.000 1 125 62 62 LEU CA C 56.098 0.000 1 126 62 62 LEU CB C 43.592 0.034 1 127 62 62 LEU N N 126.498 0.000 1 128 63 63 GLU H H 8.013 0.000 1 129 63 63 GLU CA C 56.231 0.400 1 130 63 63 GLU CB C 36.087 0.069 1 131 63 63 GLU N N 118.713 0.000 1 132 64 64 VAL H H 8.055 0.000 1 133 64 64 VAL CA C 61.967 0.201 1 134 64 64 VAL CB C 35.288 0.066 1 135 64 64 VAL N N 120.302 0.000 1 136 65 65 ASP H H 10.171 0.000 1 137 65 65 ASP CA C 56.281 0.084 1 138 65 65 ASP CB C 40.520 0.171 1 139 65 65 ASP N N 130.154 0.000 1 140 66 66 GLY H H 9.027 0.000 1 141 66 66 GLY CA C 45.682 0.145 1 142 66 66 GLY N N 130.763 0.000 1 143 67 67 THR H H 8.197 0.000 1 144 67 67 THR CA C 60.300 0.000 1 145 67 67 THR CB C 39.224 0.000 1 146 67 67 THR N N 120.404 0.000 1 147 69 69 MET CA C 54.497 0.000 1 148 69 69 MET CB C 35.422 0.000 1 149 70 70 THR H H 7.580 0.000 1 150 70 70 THR CA C 65.236 0.000 1 151 70 70 THR CB C 69.137 0.034 1 152 70 70 THR N N 114.818 0.000 1 153 71 71 GLY H H 8.882 0.000 1 154 71 71 GLY CA C 45.860 0.167 1 155 71 71 GLY N N 116.151 0.000 1 156 72 72 LYS H H 7.791 0.000 1 157 72 72 LYS CA C 55.364 0.000 1 158 72 72 LYS CB C 34.121 0.166 1 159 72 72 LYS N N 119.998 0.000 1 160 73 73 THR H H 8.866 0.000 1 161 73 73 THR CA C 60.633 0.066 1 162 73 73 THR CB C 71.872 0.100 1 163 73 73 THR N N 110.857 0.000 1 164 74 74 GLN H H 9.191 0.000 1 165 74 74 GLN CA C 60.967 0.133 1 166 74 74 GLN CB C 28.319 0.300 1 167 74 74 GLN N N 120.404 0.000 1 168 75 75 THR H H 7.929 0.000 1 169 75 75 THR CA C 66.169 0.000 1 170 75 75 THR CB C 68.737 0.100 1 171 75 75 THR N N 111.568 0.000 1 172 76 76 ASP H H 7.733 0.000 1 173 76 76 ASP CA C 57.584 0.115 1 174 76 76 ASP CB C 41.324 0.168 1 175 76 76 ASP N N 123.248 0.000 1 176 77 77 VAL H H 8.082 0.000 1 177 77 77 VAL CA C 67.456 0.114 1 178 77 77 VAL CB C 31.719 0.035 1 179 77 77 VAL N N 120.268 0.000 1 180 78 78 VAL H H 8.265 0.000 1 181 78 78 VAL CA C 67.430 0.111 1 182 78 78 VAL CB C 31.934 0.115 1 183 78 78 VAL N N 119.490 0.000 1 184 79 79 ALA H H 7.737 0.000 1 185 79 79 ALA CA C 55.698 0.133 1 186 79 79 ALA CB C 18.281 0.133 1 187 79 79 ALA N N 120.912 0.000 1 188 80 80 ILE H H 7.963 0.000 1 189 80 80 ILE CA C 65.302 0.133 1 190 80 80 ILE CB C 38.857 0.100 1 191 80 80 ILE N N 121.318 0.000 1 192 81 81 LEU H H 8.062 0.000 1 193 81 81 LEU CA C 58.132 0.100 1 194 81 81 LEU CB C 41.012 0.079 1 195 81 81 LEU N N 118.677 0.000 1 196 82 82 ARG H H 8.569 0.000 1 197 82 82 ARG CA C 58.833 0.000 1 198 82 82 ARG CB C 30.753 0.133 1 199 82 82 ARG N N 118.880 0.000 1 200 83 83 GLY H H 7.743 0.000 1 201 83 83 GLY CA C 45.827 0.000 1 202 83 83 GLY N N 130.357 0.000 1 203 85 85 PRO CA C 62.901 0.000 1 204 85 85 PRO CB C 32.354 0.000 1 205 86 86 ALA H H 8.457 0.000 1 206 86 86 ALA CA C 54.230 0.066 1 207 86 86 ALA CB C 18.281 0.133 1 208 86 86 ALA N N 123.045 0.000 1 209 87 87 GLY H H 8.983 0.000 1 210 87 87 GLY CA C 45.394 0.033 1 211 87 87 GLY N N 111.974 0.000 1 212 88 88 ALA H H 7.779 0.000 1 213 88 88 ALA CA C 52.697 0.000 1 214 88 88 ALA CB C 20.348 0.134 1 215 88 88 ALA N N 122.841 0.000 1 216 89 89 THR H H 8.561 0.000 1 217 89 89 THR CA C 62.835 0.066 1 218 89 89 THR CB C 69.504 0.000 1 219 89 89 THR N N 116.849 0.000 1 220 90 90 VAL H H 9.454 0.000 1 221 90 90 VAL CA C 61.000 0.100 1 222 90 90 VAL CB C 34.555 0.200 1 223 90 90 VAL N N 129.138 0.000 1 224 91 91 ARG H H 9.112 0.000 1 225 91 91 ARG CA C 56.065 0.100 1 226 91 91 ARG CB C 32.087 0.200 1 227 91 91 ARG N N 128.326 0.000 1 228 92 92 ILE H H 9.296 0.000 1 229 92 92 ILE CA C 59.833 0.133 1 230 92 92 ILE CB C 40.625 0.067 1 231 92 92 ILE N N 128.123 0.000 1 232 93 93 VAL H H 8.396 0.000 1 233 93 93 VAL CA C 61.368 0.133 1 234 93 93 VAL CB C 34.221 0.066 1 235 93 93 VAL N N 125.076 0.000 1 236 94 94 VAL H H 8.994 0.000 1 237 94 94 VAL CA C 58.232 0.066 1 238 94 94 VAL CB C 36.556 0.067 1 239 94 94 VAL N N 119.795 0.000 1 240 95 95 SER H H 9.058 0.000 1 241 95 95 SER CA C 56.465 0.100 1 242 95 95 SER CB C 66.069 0.100 1 243 95 95 SER N N 112.380 0.000 1 244 96 96 ARG H H 8.852 0.000 1 245 96 96 ARG CA C 55.397 0.034 1 246 96 96 ARG CB C 34.322 0.100 1 247 96 96 ARG N N 125.584 0.000 1 248 97 97 GLN H H 8.807 0.000 1 249 97 97 GLN CA C 56.597 0.000 1 250 97 97 GLN CB C 29.992 0.000 1 251 97 97 GLN N N 125.584 0.000 1 stop_ save_