data_30389 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of AGL55 ; _BMRB_accession_number 30389 _BMRB_flat_file_name bmr30389.str _Entry_type original _Submission_date 2017-12-24 _Accession_date 2017-12-24 _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 Qiu C. . . 2 Yuan Y. . . 3 Castellino F. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 321 "13C chemical shifts" 236 "15N chemical shifts" 54 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-11 original BMRB . stop_ _Original_release_date 2018-02-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The C-Domain Repeats in Plasminogen-binding Group A Streptococcal M-Protein are Essential Determinants for its Dimerization ; _Citation_status 'in preparation' _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 Qiu C. . . 2 Yuan Y. . . 3 Zajicek J. . . 4 Ploplis V. A. . 5 Lee S. W. . 6 Castellino F. J. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'M protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 6742.396 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; GSAGLQEKERELEDLKDAEL KRLNEERHDHDKREAERKAL EDKLADKQEHLDGALRY ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 GLY 5 LEU 6 GLN 7 GLU 8 LYS 9 GLU 10 ARG 11 GLU 12 LEU 13 GLU 14 ASP 15 LEU 16 LYS 17 ASP 18 ALA 19 GLU 20 LEU 21 LYS 22 ARG 23 LEU 24 ASN 25 GLU 26 GLU 27 ARG 28 HIS 29 ASP 30 HIS 31 ASP 32 LYS 33 ARG 34 GLU 35 ALA 36 GLU 37 ARG 38 LYS 39 ALA 40 LEU 41 GLU 42 ASP 43 LYS 44 LEU 45 ALA 46 ASP 47 LYS 48 GLN 49 GLU 50 HIS 51 LEU 52 ASP 53 GLY 54 ALA 55 LEU 56 ARG 57 TYR 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 _Strain _Gene_mnemonic $entity_1 'Streptococcus pyogenes' 1138874 Bacteria . Streptococcus pyogenes NS88.2 emm stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . plasmid pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM [U-99% 2H] BisTris-d19, 1 mM DSS, 1 mM sodium azide, 1 mM EDTA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 20 mM '[U-99% 2H]' DSS 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 800 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY-HSQC' _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' 20 . mM pH 6.7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 2 2 SER HA H 4.507 0.02 1 2 2 2 SER HB2 H 3.885 0.02 2 3 2 2 SER HB3 H 3.885 0.02 2 4 2 2 SER C C 174.310 0.20 1 5 2 2 SER CA C 58.330 0.20 1 6 2 2 SER CB C 63.850 0.20 1 7 3 3 ALA H H 8.554 0.02 1 8 3 3 ALA HA H 4.372 0.02 1 9 3 3 ALA HB H 1.415 0.02 1 10 3 3 ALA C C 178.158 0.20 1 11 3 3 ALA CA C 52.820 0.20 1 12 3 3 ALA CB C 19.290 0.20 1 13 3 3 ALA N N 126.172 0.20 1 14 4 4 GLY H H 8.397 0.02 1 15 4 4 GLY HA2 H 3.959 0.02 2 16 4 4 GLY HA3 H 3.959 0.02 2 17 4 4 GLY C C 174.264 0.20 1 18 4 4 GLY CA C 45.310 0.20 1 19 4 4 GLY N N 108.146 0.20 1 20 5 5 LEU H H 8.113 0.02 1 21 5 5 LEU HA H 4.331 0.02 1 22 5 5 LEU HB2 H 1.847 0.02 2 23 5 5 LEU HB3 H 1.847 0.02 2 24 5 5 LEU HG H 1.630 0.02 1 25 5 5 LEU HD1 H 0.905 0.02 2 26 5 5 LEU HD2 H 0.905 0.02 2 27 5 5 LEU C C 177.735 0.20 1 28 5 5 LEU CA C 55.430 0.20 1 29 5 5 LEU CB C 42.310 0.20 1 30 5 5 LEU CG C 27.100 0.20 1 31 5 5 LEU CD1 C 24.800 0.20 2 32 5 5 LEU CD2 C 23.640 0.20 2 33 5 5 LEU N N 121.675 0.20 1 34 6 6 GLN H H 8.497 0.02 1 35 6 6 GLN HA H 4.308 0.02 1 36 6 6 GLN HB2 H 2.145 0.02 2 37 6 6 GLN HB3 H 2.029 0.02 2 38 6 6 GLN HG2 H 2.385 0.02 2 39 6 6 GLN HG3 H 2.385 0.02 2 40 6 6 GLN C C 176.415 0.20 1 41 6 6 GLN CA C 56.360 0.20 1 42 6 6 GLN CB C 29.220 0.20 1 43 6 6 GLN CG C 33.980 0.20 1 44 6 6 GLN N N 120.764 0.20 1 45 7 7 GLU H H 8.475 0.02 1 46 7 7 GLU HA H 4.214 0.02 1 47 7 7 GLU HB2 H 2.026 0.02 2 48 7 7 GLU HB3 H 2.026 0.02 2 49 7 7 GLU HG2 H 2.287 0.02 2 50 7 7 GLU HG3 H 2.287 0.02 2 51 7 7 GLU C C 177.074 0.20 1 52 7 7 GLU CA C 57.520 0.20 1 53 7 7 GLU CB C 30.120 0.20 1 54 7 7 GLU CG C 36.390 0.20 1 55 7 7 GLU N N 121.999 0.20 1 56 8 8 LYS H H 8.304 0.02 1 57 8 8 LYS HA H 4.261 0.02 1 58 8 8 LYS HB2 H 1.843 0.02 2 59 8 8 LYS HB3 H 1.843 0.02 2 60 8 8 LYS HG2 H 1.459 0.02 2 61 8 8 LYS HG3 H 1.459 0.02 2 62 8 8 LYS HD2 H 1.704 0.02 2 63 8 8 LYS HD3 H 1.704 0.02 2 64 8 8 LYS C C 177.247 0.20 1 65 8 8 LYS CA C 57.050 0.20 1 66 8 8 LYS CB C 32.730 0.20 1 67 8 8 LYS CG C 24.770 0.20 1 68 8 8 LYS CD C 29.030 0.20 1 69 8 8 LYS CE C 42.150 0.20 1 70 8 8 LYS N N 121.349 0.20 1 71 9 9 GLU H H 8.392 0.02 1 72 9 9 GLU HA H 4.165 0.02 1 73 9 9 GLU HB2 H 2.057 0.02 2 74 9 9 GLU HB3 H 2.057 0.02 2 75 9 9 GLU HG2 H 2.306 0.02 2 76 9 9 GLU HG3 H 2.306 0.02 2 77 9 9 GLU C C 177.315 0.20 1 78 9 9 GLU CA C 57.870 0.20 1 79 9 9 GLU CB C 30.060 0.20 1 80 9 9 GLU CG C 36.550 0.20 1 81 9 9 GLU N N 121.072 0.20 1 82 10 10 ARG H H 8.204 0.02 1 83 10 10 ARG HA H 4.250 0.02 1 84 10 10 ARG HB2 H 1.873 0.02 2 85 10 10 ARG HB3 H 1.873 0.02 2 86 10 10 ARG HG2 H 1.669 0.02 2 87 10 10 ARG HG3 H 1.669 0.02 2 88 10 10 ARG HD2 H 3.219 0.02 2 89 10 10 ARG HD3 H 3.219 0.02 2 90 10 10 ARG C C 176.850 0.20 1 91 10 10 ARG CA C 57.040 0.20 1 92 10 10 ARG CB C 30.590 0.20 1 93 10 10 ARG CG C 27.120 0.20 1 94 10 10 ARG CD C 43.330 0.20 1 95 10 10 ARG N N 120.952 0.20 1 96 11 11 GLU H H 8.322 0.02 1 97 11 11 GLU HA H 4.205 0.02 1 98 11 11 GLU HB2 H 2.070 0.02 2 99 11 11 GLU HB3 H 2.070 0.02 2 100 11 11 GLU HG2 H 2.308 0.02 2 101 11 11 GLU HG3 H 2.308 0.02 2 102 11 11 GLU C C 177.428 0.20 1 103 11 11 GLU CA C 57.700 0.20 1 104 11 11 GLU CB C 30.040 0.20 1 105 11 11 GLU CG C 36.410 0.20 1 106 11 11 GLU N N 121.030 0.20 1 107 12 12 LEU H H 8.128 0.02 1 108 12 12 LEU HA H 4.253 0.02 1 109 12 12 LEU HB2 H 1.755 0.02 2 110 12 12 LEU HB3 H 1.755 0.02 2 111 12 12 LEU HG H 1.618 0.02 1 112 12 12 LEU HD1 H 0.921 0.02 2 113 12 12 LEU HD2 H 0.921 0.02 2 114 12 12 LEU C C 178.392 0.20 1 115 12 12 LEU CA C 56.340 0.20 1 116 12 12 LEU CB C 42.060 0.20 1 117 12 12 LEU CG C 27.110 0.20 1 118 12 12 LEU CD1 C 24.930 0.20 2 119 12 12 LEU CD2 C 23.690 0.20 2 120 12 12 LEU N N 121.244 0.20 1 121 13 13 GLU H H 8.249 0.02 1 122 13 13 GLU HA H 4.164 0.02 1 123 13 13 GLU HB2 H 2.048 0.02 2 124 13 13 GLU HB3 H 2.048 0.02 2 125 13 13 GLU HG2 H 2.304 0.02 2 126 13 13 GLU HG3 H 2.304 0.02 2 127 13 13 GLU C C 177.162 0.20 1 128 13 13 GLU CA C 57.790 0.20 1 129 13 13 GLU CB C 30.130 0.20 1 130 13 13 GLU CG C 36.280 0.20 1 131 13 13 GLU N N 121.031 0.20 1 132 14 14 ASP H H 8.365 0.02 1 133 14 14 ASP HA H 4.548 0.02 1 134 14 14 ASP HB2 H 2.724 0.02 2 135 14 14 ASP HB3 H 2.724 0.02 2 136 14 14 ASP C C 177.568 0.20 1 137 14 14 ASP CA C 55.970 0.20 1 138 14 14 ASP CB C 40.780 0.20 1 139 14 14 ASP N N 120.919 0.20 1 140 15 15 LEU H H 8.085 0.02 1 141 15 15 LEU HA H 4.251 0.02 1 142 15 15 LEU HB2 H 1.774 0.02 2 143 15 15 LEU HB3 H 1.774 0.02 2 144 15 15 LEU HG H 1.638 0.02 1 145 15 15 LEU HD1 H 0.919 0.02 2 146 15 15 LEU HD2 H 0.919 0.02 2 147 15 15 LEU C C 178.668 0.20 1 148 15 15 LEU CA C 56.720 0.20 1 149 15 15 LEU CB C 42.090 0.20 1 150 15 15 LEU CG C 27.050 0.20 1 151 15 15 LEU CD1 C 25.130 0.20 2 152 15 15 LEU CD2 C 23.700 0.20 2 153 15 15 LEU N N 122.546 0.20 1 154 16 16 LYS H H 8.167 0.02 1 155 16 16 LYS HA H 4.186 0.02 1 156 16 16 LYS HB2 H 1.910 0.02 2 157 16 16 LYS HB3 H 1.910 0.02 2 158 16 16 LYS HG2 H 1.485 0.02 2 159 16 16 LYS HG3 H 1.485 0.02 2 160 16 16 LYS HD2 H 1.757 0.02 2 161 16 16 LYS HD3 H 1.757 0.02 2 162 16 16 LYS HE2 H 2.968 0.02 2 163 16 16 LYS HE3 H 2.968 0.02 2 164 16 16 LYS C C 178.045 0.20 1 165 16 16 LYS CA C 58.040 0.20 1 166 16 16 LYS CB C 32.320 0.20 1 167 16 16 LYS CG C 24.920 0.20 1 168 16 16 LYS CD C 29.160 0.20 1 169 16 16 LYS CE C 42.140 0.20 1 170 16 16 LYS N N 120.882 0.20 1 171 17 17 ASP H H 8.236 0.02 1 172 17 17 ASP HA H 4.496 0.02 1 173 17 17 ASP HB2 H 2.735 0.02 2 174 17 17 ASP HB3 H 2.735 0.02 2 175 17 17 ASP C C 177.664 0.20 1 176 17 17 ASP CA C 56.260 0.20 1 177 17 17 ASP CB C 41.160 0.20 1 178 17 17 ASP N N 120.271 0.20 1 179 18 18 ALA H H 8.162 0.02 1 180 18 18 ALA HA H 4.142 0.02 1 181 18 18 ALA HB H 1.497 0.02 1 182 18 18 ALA C C 180.100 0.20 1 183 18 18 ALA CA C 54.480 0.20 1 184 18 18 ALA CB C 18.530 0.20 1 185 18 18 ALA N N 122.807 0.20 1 186 19 19 GLU H H 8.149 0.02 1 187 19 19 GLU HA H 4.200 0.02 1 188 19 19 GLU HB2 H 2.112 0.02 2 189 19 19 GLU HB3 H 2.112 0.02 2 190 19 19 GLU HG2 H 2.304 0.02 2 191 19 19 GLU HG3 H 2.304 0.02 2 192 19 19 GLU C C 178.100 0.20 1 193 19 19 GLU CA C 58.410 0.20 1 194 19 19 GLU CB C 29.680 0.20 1 195 19 19 GLU CG C 36.150 0.20 1 196 19 19 GLU N N 119.239 0.20 1 197 20 20 LEU H H 7.975 0.02 1 198 20 20 LEU HA H 4.144 0.02 1 199 20 20 LEU HB2 H 1.800 0.02 2 200 20 20 LEU HB3 H 1.800 0.02 2 201 20 20 LEU HG H 1.669 0.02 1 202 20 20 LEU HD1 H 0.938 0.02 2 203 20 20 LEU HD1 H 0.938 0.02 2 204 20 20 LEU HD1 H 0.938 0.02 2 205 20 20 LEU HD2 H 0.938 0.02 2 206 20 20 LEU HD2 H 0.938 0.02 2 207 20 20 LEU HD2 H 0.938 0.02 2 208 20 20 LEU C C 179.059 0.20 1 209 20 20 LEU CA C 57.320 0.20 1 210 20 20 LEU CB C 41.730 0.20 1 211 20 20 LEU CG C 27.050 0.20 1 212 20 20 LEU CD1 C 24.860 0.20 2 213 20 20 LEU CD2 C 23.910 0.20 2 214 20 20 LEU N N 120.695 0.20 1 215 21 21 LYS H H 8.015 0.02 1 216 21 21 LYS HA H 4.114 0.02 1 217 21 21 LYS HB2 H 1.887 0.02 2 218 21 21 LYS HB3 H 1.887 0.02 2 219 21 21 LYS HG2 H 1.411 0.02 2 220 21 21 LYS HG3 H 1.411 0.02 2 221 21 21 LYS HD2 H 1.543 0.02 2 222 21 21 LYS HD3 H 1.543 0.02 2 223 21 21 LYS HE2 H 2.987 0.02 2 224 21 21 LYS HE3 H 2.987 0.02 2 225 21 21 LYS C C 178.312 0.20 1 226 21 21 LYS CA C 58.770 0.20 1 227 21 21 LYS CB C 32.640 0.20 1 228 21 21 LYS CG C 25.440 0.20 1 229 21 21 LYS CD C 29.410 0.20 1 230 21 21 LYS CE C 42.250 0.20 1 231 21 21 LYS N N 119.562 0.20 1 232 22 22 ARG H H 7.887 0.02 1 233 22 22 ARG HA H 4.165 0.02 1 234 22 22 ARG HB2 H 1.920 0.02 2 235 22 22 ARG HB3 H 1.920 0.02 2 236 22 22 ARG HG2 H 1.618 0.02 2 237 22 22 ARG HG3 H 1.618 0.02 2 238 22 22 ARG HD2 H 3.224 0.02 2 239 22 22 ARG HD3 H 3.224 0.02 2 240 22 22 ARG C C 178.150 0.20 1 241 22 22 ARG CA C 58.280 0.20 1 242 22 22 ARG CB C 30.250 0.20 1 243 22 22 ARG CG C 27.380 0.20 1 244 22 22 ARG CD C 43.380 0.20 1 245 22 22 ARG N N 120.110 0.20 1 246 23 23 LEU H H 8.197 0.02 1 247 23 23 LEU HA H 4.163 0.02 1 248 23 23 LEU HB2 H 1.791 0.02 2 249 23 23 LEU HB3 H 1.791 0.02 2 250 23 23 LEU HG H 1.602 0.02 1 251 23 23 LEU HD1 H 0.905 0.02 2 252 23 23 LEU HD2 H 0.905 0.02 2 253 23 23 LEU C C 178.905 0.20 1 254 23 23 LEU CA C 57.090 0.20 1 255 23 23 LEU CB C 42.080 0.20 1 256 23 23 LEU CG C 27.050 0.20 1 257 23 23 LEU CD1 C 25.070 0.20 2 258 23 23 LEU CD2 C 23.770 0.20 2 259 23 23 LEU N N 120.689 0.20 1 260 24 24 ASN H H 8.249 0.02 1 261 24 24 ASN HA H 4.569 0.02 1 262 24 24 ASN HB2 H 2.857 0.02 2 263 24 24 ASN HB3 H 2.857 0.02 2 264 24 24 ASN C C 176.800 0.20 1 265 24 24 ASN CA C 54.970 0.20 1 266 24 24 ASN CB C 38.610 0.20 1 267 24 24 ASN N N 117.970 0.20 1 268 25 25 GLU H H 8.173 0.02 1 269 25 25 GLU HA H 4.188 0.02 1 270 25 25 GLU HB2 H 2.107 0.02 2 271 25 25 GLU HB3 H 2.107 0.02 2 272 25 25 GLU HG2 H 2.403 0.02 2 273 25 25 GLU HG3 H 2.319 0.02 2 274 25 25 GLU C C 177.800 0.20 1 275 25 25 GLU CA C 58.160 0.20 1 276 25 25 GLU CB C 30.180 0.20 1 277 25 25 GLU CG C 36.470 0.20 1 278 25 25 GLU N N 120.990 0.20 1 279 26 26 GLU H H 8.292 0.02 1 280 26 26 GLU HA H 4.196 0.02 1 281 26 26 GLU HB2 H 2.069 0.02 2 282 26 26 GLU HB3 H 2.069 0.02 2 283 26 26 GLU HG2 H 2.399 0.02 2 284 26 26 GLU HG3 H 2.241 0.02 2 285 26 26 GLU C C 177.800 0.20 1 286 26 26 GLU CA C 58.000 0.20 1 287 26 26 GLU CB C 29.990 0.20 1 288 26 26 GLU CG C 36.540 0.20 1 289 26 26 GLU N N 120.868 0.20 1 290 27 27 ARG H H 8.131 0.02 1 291 27 27 ARG HA H 4.228 0.02 1 292 27 27 ARG HB2 H 1.874 0.02 2 293 27 27 ARG HB3 H 1.874 0.02 2 294 27 27 ARG HG2 H 1.653 0.02 2 295 27 27 ARG HG3 H 1.653 0.02 2 296 27 27 ARG HD2 H 3.196 0.02 2 297 27 27 ARG HD3 H 3.196 0.02 2 298 27 27 ARG C C 177.166 0.20 1 299 27 27 ARG CA C 57.500 0.20 1 300 27 27 ARG CB C 30.400 0.20 1 301 27 27 ARG CG C 27.240 0.20 1 302 27 27 ARG CD C 43.390 0.20 1 303 27 27 ARG N N 120.674 0.20 1 304 28 28 HIS H H 8.307 0.02 1 305 28 28 HIS HA H 4.594 0.02 1 306 28 28 HIS HB2 H 3.257 0.02 2 307 28 28 HIS HB3 H 3.257 0.02 2 308 28 28 HIS C C 176.006 0.20 1 309 28 28 HIS CA C 57.230 0.20 1 310 28 28 HIS CB C 29.430 0.20 1 311 28 28 HIS N N 118.902 0.20 1 312 29 29 ASP H H 8.385 0.02 1 313 29 29 ASP HA H 4.517 0.02 1 314 29 29 ASP HB2 H 2.705 0.02 2 315 29 29 ASP HB3 H 2.705 0.02 2 316 29 29 ASP C C 177.118 0.20 1 317 29 29 ASP CA C 55.660 0.20 1 318 29 29 ASP CB C 40.930 0.20 1 319 29 29 ASP N N 120.486 0.20 1 320 30 30 HIS H H 8.368 0.02 1 321 30 30 HIS HA H 4.404 0.02 1 322 30 30 HIS HB2 H 3.288 0.02 2 323 30 30 HIS HB3 H 3.288 0.02 2 324 30 30 HIS C C 176.155 0.20 1 325 30 30 HIS CA C 58.160 0.20 1 326 30 30 HIS CB C 29.570 0.20 1 327 30 30 HIS N N 119.181 0.20 1 328 31 31 ASP H H 8.458 0.02 1 329 31 31 ASP HA H 4.452 0.02 1 330 31 31 ASP HB2 H 2.740 0.02 2 331 31 31 ASP HB3 H 2.740 0.02 2 332 31 31 ASP C C 177.925 0.20 1 333 31 31 ASP CA C 56.020 0.20 1 334 31 31 ASP CB C 40.460 0.20 1 335 31 31 ASP N N 120.440 0.20 1 336 32 32 LYS H H 8.207 0.02 1 337 32 32 LYS HA H 4.171 0.02 1 338 32 32 LYS HB2 H 1.867 0.02 2 339 32 32 LYS HB3 H 1.867 0.02 2 340 32 32 LYS HG2 H 1.437 0.02 2 341 32 32 LYS HG3 H 1.437 0.02 2 342 32 32 LYS C C 177.952 0.20 1 343 32 32 LYS CA C 58.280 0.20 1 344 32 32 LYS CB C 32.590 0.20 1 345 32 32 LYS CG C 24.930 0.20 1 346 32 32 LYS N N 122.388 0.20 1 347 33 33 ARG H H 8.178 0.02 1 348 33 33 ARG HA H 4.185 0.02 1 349 33 33 ARG HB2 H 1.897 0.02 2 350 33 33 ARG HB3 H 1.897 0.02 2 351 33 33 ARG HG2 H 1.691 0.02 2 352 33 33 ARG HG3 H 1.691 0.02 2 353 33 33 ARG HD2 H 3.208 0.02 2 354 33 33 ARG HD3 H 3.208 0.02 2 355 33 33 ARG C C 178.647 0.20 1 356 33 33 ARG CA C 58.150 0.20 1 357 33 33 ARG CB C 30.200 0.20 1 358 33 33 ARG CG C 27.650 0.20 1 359 33 33 ARG CD C 43.440 0.20 1 360 33 33 ARG N N 120.121 0.20 1 361 34 34 GLU H H 8.285 0.02 1 362 34 34 GLU HA H 4.162 0.02 1 363 34 34 GLU HB2 H 2.016 0.02 2 364 34 34 GLU HB3 H 2.016 0.02 2 365 34 34 GLU HG2 H 2.210 0.02 2 366 34 34 GLU HG3 H 2.210 0.02 2 367 34 34 GLU C C 177.850 0.20 1 368 34 34 GLU CA C 58.180 0.20 1 369 34 34 GLU CB C 29.720 0.20 1 370 34 34 GLU CG C 36.190 0.20 1 371 34 34 GLU N N 120.696 0.20 1 372 35 35 ALA H H 8.094 0.02 1 373 35 35 ALA C C 180.053 0.20 1 374 35 35 ALA CA C 54.290 0.20 1 375 35 35 ALA CB C 18.420 0.20 1 376 35 35 ALA N N 122.701 0.20 1 377 36 36 GLU HA H 4.122 0.02 1 378 36 36 GLU HB2 H 2.079 0.02 2 379 36 36 GLU HB3 H 2.079 0.02 2 380 36 36 GLU HG2 H 2.429 0.02 2 381 36 36 GLU HG3 H 2.253 0.02 2 382 36 36 GLU C C 178.100 0.20 1 383 36 36 GLU CA C 58.280 0.20 1 384 36 36 GLU CB C 29.860 0.20 1 385 36 36 GLU CG C 36.540 0.20 1 386 37 37 ARG H H 8.056 0.02 1 387 37 37 ARG HA H 4.167 0.02 1 388 37 37 ARG HB2 H 1.926 0.02 2 389 37 37 ARG HB3 H 1.926 0.02 2 390 37 37 ARG HG2 H 1.624 0.02 2 391 37 37 ARG HG3 H 1.624 0.02 2 392 37 37 ARG HD2 H 3.225 0.02 2 393 37 37 ARG HD3 H 3.225 0.02 2 394 37 37 ARG C C 178.100 0.20 1 395 37 37 ARG CA C 58.200 0.20 1 396 37 37 ARG CB C 30.160 0.20 1 397 37 37 ARG CG C 27.340 0.20 1 398 37 37 ARG CD C 43.370 0.20 1 399 37 37 ARG N N 121.090 0.20 1 400 38 38 LYS H H 8.201 0.02 1 401 38 38 LYS HA H 4.113 0.02 1 402 38 38 LYS HB2 H 1.860 0.02 2 403 38 38 LYS HB3 H 1.860 0.02 2 404 38 38 LYS HG2 H 1.471 0.02 2 405 38 38 LYS HG3 H 1.471 0.02 2 406 38 38 LYS HE2 H 2.998 0.02 2 407 38 38 LYS HE3 H 2.998 0.02 2 408 38 38 LYS C C 177.514 0.20 1 409 38 38 LYS CA C 58.000 0.20 1 410 38 38 LYS CB C 32.580 0.20 1 411 38 38 LYS CG C 25.100 0.20 1 412 38 38 LYS CD C 29.030 0.20 1 413 38 38 LYS CE C 42.030 0.20 1 414 38 38 LYS N N 120.813 0.20 1 415 39 39 ALA H H 7.971 0.02 1 416 39 39 ALA HA H 4.240 0.02 1 417 39 39 ALA HB H 1.467 0.02 1 418 39 39 ALA C C 179.319 0.20 1 419 39 39 ALA CA C 53.880 0.20 1 420 39 39 ALA CB C 18.560 0.20 1 421 39 39 ALA N N 121.968 0.20 1 422 40 40 LEU H H 7.831 0.02 1 423 40 40 LEU HA H 4.235 0.02 1 424 40 40 LEU HB2 H 1.728 0.02 2 425 40 40 LEU HB3 H 1.728 0.02 2 426 40 40 LEU HD1 H 0.925 0.02 2 427 40 40 LEU HD2 H 0.925 0.02 2 428 40 40 LEU C C 178.469 0.20 1 429 40 40 LEU CA C 56.700 0.20 1 430 40 40 LEU CB C 42.160 0.20 1 431 40 40 LEU CG C 26.970 0.20 1 432 40 40 LEU CD1 C 23.800 0.20 2 433 40 40 LEU CD2 C 24.780 0.20 2 434 40 40 LEU N N 119.475 0.20 1 435 41 41 GLU H H 8.141 0.02 1 436 41 41 GLU HA H 4.121 0.02 1 437 41 41 GLU HB2 H 2.079 0.02 2 438 41 41 GLU HB3 H 2.079 0.02 2 439 41 41 GLU HG2 H 2.393 0.02 2 440 41 41 GLU HG3 H 2.253 0.02 2 441 41 41 GLU C C 177.802 0.20 1 442 41 41 GLU CA C 58.020 0.20 1 443 41 41 GLU CB C 30.040 0.20 1 444 41 41 GLU CG C 36.570 0.20 1 445 41 41 GLU N N 120.044 0.20 1 446 42 42 ASP H H 8.319 0.02 1 447 42 42 ASP HA H 4.536 0.02 1 448 42 42 ASP HB2 H 2.703 0.02 2 449 42 42 ASP HB3 H 2.703 0.02 2 450 42 42 ASP C C 177.156 0.20 1 451 42 42 ASP CA C 55.970 0.20 1 452 42 42 ASP CB C 40.770 0.20 1 453 42 42 ASP N N 120.591 0.20 1 454 43 43 LYS H H 7.978 0.02 1 455 43 43 LYS HA H 4.273 0.02 1 456 43 43 LYS HB2 H 1.900 0.02 2 457 43 43 LYS HB3 H 1.900 0.02 2 458 43 43 LYS HG2 H 1.480 0.02 2 459 43 43 LYS HG3 H 1.480 0.02 2 460 43 43 LYS HE2 H 2.955 0.02 2 461 43 43 LYS HE3 H 2.955 0.02 2 462 43 43 LYS C C 177.483 0.20 1 463 43 43 LYS CA C 57.200 0.20 1 464 43 43 LYS CB C 32.620 0.20 1 465 43 43 LYS CG C 24.930 0.20 1 466 43 43 LYS CD C 29.220 0.20 1 467 43 43 LYS CE C 40.940 0.20 1 468 43 43 LYS N N 120.750 0.20 1 469 44 44 LEU H H 8.081 0.02 1 470 44 44 LEU HA H 4.269 0.02 1 471 44 44 LEU HB2 H 1.746 0.02 2 472 44 44 LEU HB3 H 1.746 0.02 2 473 44 44 LEU HG H 1.603 0.02 1 474 44 44 LEU HD1 H 0.909 0.02 2 475 44 44 LEU HD2 H 0.909 0.02 2 476 44 44 LEU C C 177.737 0.20 1 477 44 44 LEU CA C 55.710 0.20 1 478 44 44 LEU CB C 42.020 0.20 1 479 44 44 LEU CG C 26.990 0.20 1 480 44 44 LEU CD1 C 25.120 0.20 2 481 44 44 LEU CD2 C 23.410 0.20 2 482 44 44 LEU N N 121.225 0.20 1 483 45 45 ALA H H 7.976 0.02 1 484 45 45 ALA HA H 4.257 0.02 1 485 45 45 ALA HB H 1.435 0.02 1 486 45 45 ALA C C 177.763 0.20 1 487 45 45 ALA CA C 52.920 0.20 1 488 45 45 ALA CB C 19.180 0.20 1 489 45 45 ALA N N 123.162 0.20 1 490 46 46 ASP H H 8.113 0.02 1 491 46 46 ASP HA H 4.559 0.02 1 492 46 46 ASP HB2 H 2.700 0.02 2 493 46 46 ASP HB3 H 2.700 0.02 2 494 46 46 ASP C C 176.462 0.20 1 495 46 46 ASP CA C 55.230 0.20 1 496 46 46 ASP CB C 41.100 0.20 1 497 46 46 ASP N N 118.985 0.20 1 498 47 47 LYS H H 8.157 0.02 1 499 47 47 LYS HA H 4.295 0.02 1 500 47 47 LYS HB2 H 1.888 0.02 2 501 47 47 LYS HB3 H 1.888 0.02 2 502 47 47 LYS HG2 H 1.436 0.02 2 503 47 47 LYS HG3 H 1.436 0.02 2 504 47 47 LYS HD2 H 1.789 0.02 2 505 47 47 LYS HD3 H 1.789 0.02 2 506 47 47 LYS HE2 H 2.969 0.02 2 507 47 47 LYS HE3 H 2.969 0.02 2 508 47 47 LYS C C 176.700 0.20 1 509 47 47 LYS CA C 56.420 0.20 1 510 47 47 LYS CB C 32.720 0.20 1 511 47 47 LYS CG C 24.720 0.20 1 512 47 47 LYS CD C 29.240 0.20 1 513 47 47 LYS N N 121.026 0.20 1 514 48 48 GLN H H 8.315 0.02 1 515 48 48 GLN HA H 4.269 0.02 1 516 48 48 GLN HB2 H 2.020 0.02 2 517 48 48 GLN HB3 H 2.020 0.02 2 518 48 48 GLN HG2 H 2.341 0.02 2 519 48 48 GLN HG3 H 2.341 0.02 2 520 48 48 GLN C C 175.959 0.20 1 521 48 48 GLN CA C 55.960 0.20 1 522 48 48 GLN CB C 29.430 0.20 1 523 48 48 GLN CG C 33.920 0.20 1 524 48 48 GLN N N 120.539 0.20 1 525 49 49 GLU H H 8.394 0.02 1 526 49 49 GLU HA H 4.207 0.02 1 527 49 49 GLU HB2 H 1.910 0.02 2 528 49 49 GLU HB3 H 1.910 0.02 2 529 49 49 GLU HG2 H 2.185 0.02 2 530 49 49 GLU HG3 H 2.185 0.02 2 531 49 49 GLU C C 176.207 0.20 1 532 49 49 GLU CA C 56.770 0.20 1 533 49 49 GLU CB C 30.510 0.20 1 534 49 49 GLU CG C 36.270 0.20 1 535 49 49 GLU N N 121.457 0.20 1 536 50 50 HIS H H 8.480 0.02 1 537 50 50 HIS HA H 4.679 0.02 1 538 50 50 HIS HB2 H 3.195 0.02 2 539 50 50 HIS HB3 H 3.136 0.02 2 540 50 50 HIS C C 174.654 0.20 1 541 50 50 HIS CA C 55.370 0.20 1 542 50 50 HIS CB C 29.510 0.20 1 543 50 50 HIS N N 119.512 0.20 1 544 51 51 LEU H H 8.303 0.02 1 545 51 51 LEU HA H 4.357 0.02 1 546 51 51 LEU HB2 H 1.813 0.02 2 547 51 51 LEU HB3 H 1.813 0.02 2 548 51 51 LEU HG H 1.588 0.02 1 549 51 51 LEU HD1 H 0.871 0.02 2 550 51 51 LEU HD2 H 0.871 0.02 2 551 51 51 LEU C C 177.093 0.20 1 552 51 51 LEU CA C 55.120 0.20 1 553 51 51 LEU CB C 42.300 0.20 1 554 51 51 LEU CG C 26.980 0.20 1 555 51 51 LEU CD1 C 24.830 0.20 2 556 51 51 LEU CD2 C 23.420 0.20 2 557 51 51 LEU N N 123.849 0.20 1 558 52 52 ASP H H 8.420 0.02 1 559 52 52 ASP HA H 4.560 0.02 1 560 52 52 ASP HB2 H 2.681 0.02 2 561 52 52 ASP HB3 H 2.681 0.02 2 562 52 52 ASP C C 176.895 0.20 1 563 52 52 ASP CA C 55.020 0.20 1 564 52 52 ASP CB C 41.260 0.20 1 565 52 52 ASP N N 121.139 0.20 1 566 53 53 GLY H H 8.351 0.02 1 567 53 53 GLY HA2 H 3.925 0.02 2 568 53 53 GLY HA3 H 3.925 0.02 2 569 53 53 GLY C C 174.095 0.20 1 570 53 53 GLY CA C 45.640 0.20 1 571 53 53 GLY N N 109.633 0.20 1 572 54 54 ALA H H 8.071 0.02 1 573 54 54 ALA HA H 4.283 0.02 1 574 54 54 ALA HB H 1.374 0.02 1 575 54 54 ALA C C 177.632 0.20 1 576 54 54 ALA CA C 52.550 0.20 1 577 54 54 ALA CB C 19.350 0.20 1 578 54 54 ALA N N 123.267 0.20 1 579 55 55 LEU H H 8.083 0.02 1 580 55 55 LEU HA H 4.277 0.02 1 581 55 55 LEU HB2 H 1.611 0.02 2 582 55 55 LEU HB3 H 1.611 0.02 2 583 55 55 LEU HG H 1.469 0.02 1 584 55 55 LEU HD1 H 0.888 0.02 2 585 55 55 LEU HD2 H 0.888 0.02 2 586 55 55 LEU C C 176.857 0.20 1 587 55 55 LEU CA C 55.080 0.20 1 588 55 55 LEU CB C 42.160 0.20 1 589 55 55 LEU CG C 27.000 0.20 1 590 55 55 LEU CD1 C 23.630 0.20 2 591 55 55 LEU CD2 C 24.820 0.20 2 592 55 55 LEU N N 120.725 0.20 1 593 56 56 ARG H H 8.083 0.02 1 594 56 56 ARG HA H 4.312 0.02 1 595 56 56 ARG HB2 H 1.786 0.02 2 596 56 56 ARG HB3 H 1.786 0.02 2 597 56 56 ARG HG2 H 1.642 0.02 2 598 56 56 ARG HG3 H 1.527 0.02 2 599 56 56 ARG HD2 H 3.145 0.02 2 600 56 56 ARG HD3 H 3.145 0.02 2 601 56 56 ARG C C 174.729 0.20 1 602 56 56 ARG CA C 55.580 0.20 1 603 56 56 ARG CB C 31.070 0.20 1 604 56 56 ARG CG C 27.020 0.20 1 605 56 56 ARG CD C 43.260 0.20 1 606 56 56 ARG N N 121.877 0.20 1 607 57 57 TYR H H 7.698 0.02 1 608 57 57 TYR C C 180.400 0.20 1 609 57 57 TYR CA C 59.050 0.02 1 610 57 57 TYR CB C 39.560 0.20 1 611 57 57 TYR N N 126.059 0.20 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-15N HSQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 N N stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 30389 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>Assignment w1 w2 Data Height >> >> Ala3N-HN 126.172 8.554 21564268 >> Gly4N-HN 108.146 8.397 41994312 >> Leu5N-HN 121.675 8.113 80711592 >> Gln6N-HN 120.764 8.497 70053168 >> Glu7N-HN 121.999 8.475 76176688 >> Lys8N-HN 121.349 8.304 75106288 >> Glu9N-HN 121.072 8.392 53551288 >> Arg10N-HN 120.952 8.204 77580696 >> Glu11N-HN 121.034 8.322 59494436 >> Leu12N-HN 121.244 8.128 63015808 >> Glu13N-HN 121.031 8.249 68071520 >> Asp14N-HN 120.919 8.365 61712472 >> Leu15N-HN 122.546 8.085 62204120 >> Lys16N-HN 120.882 8.167 101038376 >> Asp17N-HN 120.271 8.236 58242896 >> Ala18N-HN 122.807 8.162 58797848 >> Glu19N-HN 119.239 8.149 75165072 >> Leu20N-HN 120.695 7.975 105212608 >> Lys21N-HN 119.562 8.015 53045388 >> Arg22N-HN 120.110 7.887 56047048 >> Leu23N-HN 120.689 8.197 66282568 >> Asn24N-HN 117.970 8.249 48785976 >> Glu25N-HN 121.008 8.173 43693944 >> Glu26N-HN 120.828 8.292 53233780 >> Arg27N-HN 120.674 8.131 48589412 >> His28N-HN 118.902 8.307 13742920 >> Asp29N-HN 120.486 8.385 20393160 >> His30N-HN 119.181 8.368 13966728 >> Asp31N-HN 120.440 8.458 36045592 >> Lys32N-HN 122.388 8.207 48843604 >> Arg33N-HN 120.121 8.178 46855576 >> Glu34N-HN 120.696 8.285 65593828 >> Ala35N-HN 122.830 8.099 59653768 >> Arg37N-HN 121.086 8.056 56775972 >> Lys38N-HN 120.813 8.201 74017848 >> Ala39N-HN 121.968 7.971 55256732 >> Leu40N-HN 119.475 7.831 54737608 >> Glu41N-HN 120.044 8.141 59642472 >> Asp42N-HN 120.591 8.319 85736128 >> Lys43N-HN 120.750 7.978 83365776 >> Leu44N-HN 121.225 8.081 49502232 >> Ala45N-HN 123.162 7.976 77073264 >> Asp46N-HN 118.985 8.113 69576368 >> Lys47N-HN 121.026 8.157 79722528 >> Gln48N-HN 120.539 8.315 101696408 >> Glu49N-HN 121.457 8.394 61354988 >> His50N-HN 119.512 8.480 32020424 >> Leu51N-HN 123.849 8.303 50313956 >> Asp52N-HN 121.139 8.420 74158096 >> Gly53N-HN 109.633 8.351 57840744 >> Ala54N-HN 123.267 8.071 88508312 >> Leu55N-HN 120.725 8.083 81989960 >> Arg56N-HN 121.877 8.083 70918072 >> Tyr57N-HN 126.059 7.698 82243352 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN 2 . 11 ppm . . . 4.688 . . 30389 1 >> 2 . . N 15 N 1 . 22 ppm . . . 117.8 . . 30389 1 >> >> stop_ >> >>save_ >> ; save_