data_30390 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of KTI55 ; _BMRB_accession_number 30390 _BMRB_flat_file_name bmr30390.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 Castellino F. J. . 2 Qiu C. . . 3 Yuan Y. . . 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" 306 "13C chemical shifts" 239 "15N chemical shifts" 55 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_2 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of truncated PAM ; _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 Castellino F. J. . 2 Yuan Y. . . 3 Qiu C. . . 4 Yuan Y. . . 5 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_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; Structure of PAM ; _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 Castellino F. J. . 2 Yuan Y. . . 3 Qiu C. . . 4 Yuan Y. . . 5 Castellino F. J. . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _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 6799.461 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; GSKTIQEKEQELKNLKDNVE LERLKNERHDHDEEAERKAL EDKLADKQEHLDGALRY ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 LYS 4 THR 5 ILE 6 GLN 7 GLU 8 LYS 9 GLU 10 GLN 11 GLU 12 LEU 13 LYS 14 ASN 15 LEU 16 LYS 17 ASP 18 ASN 19 VAL 20 GLU 21 LEU 22 GLU 23 ARG 24 LEU 25 LYS 26 ASN 27 GLU 28 ARG 29 HIS 30 ASP 31 HIS 32 ASP 33 GLU 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' 1314 Bacteria . Streptococcus pyogenes SS1448 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 4.503 0.02 1 2 2 2 SER HB2 H 3.857 0.02 2 3 2 2 SER HB3 H 3.857 0.02 2 4 2 2 SER C C 174.477 0.20 1 5 2 2 SER CA C 58.420 0.20 1 6 2 2 SER CB C 64.020 0.20 1 7 3 3 LYS H H 8.533 0.02 1 8 3 3 LYS HA H 4.457 0.02 1 9 3 3 LYS HB2 H 1.838 0.02 2 10 3 3 LYS HB3 H 1.758 0.02 2 11 3 3 LYS HG2 H 1.451 0.02 2 12 3 3 LYS HG3 H 1.451 0.02 2 13 3 3 LYS C C 176.967 0.20 1 14 3 3 LYS CA C 56.570 0.20 1 15 3 3 LYS CB C 33.530 0.20 1 16 3 3 LYS CG C 24.940 0.20 1 17 3 3 LYS CD C 29.180 0.20 1 18 3 3 LYS CE C 42.130 0.20 1 19 3 3 LYS N N 123.408 0.20 1 20 4 4 THR H H 8.401 0.02 1 21 4 4 THR HA H 4.355 0.02 1 22 4 4 THR HB H 4.768 0.02 1 23 4 4 THR HG2 H 1.241 0.02 1 24 4 4 THR C C 175.002 0.20 1 25 4 4 THR CA C 61.980 0.20 1 26 4 4 THR CB C 70.460 0.20 1 27 4 4 THR CG2 C 21.920 0.20 1 28 4 4 THR N N 115.500 0.20 1 29 5 5 ILE H H 8.363 0.02 1 30 5 5 ILE HA H 4.030 0.02 1 31 5 5 ILE HB H 1.860 0.02 1 32 5 5 ILE HG12 H 1.143 0.02 2 33 5 5 ILE HG13 H 1.143 0.02 2 34 5 5 ILE HG2 H 0.918 0.02 1 35 5 5 ILE C C 176.806 0.20 1 36 5 5 ILE CA C 62.420 0.20 1 37 5 5 ILE CB C 38.430 0.20 1 38 5 5 ILE CG1 C 27.940 0.20 1 39 5 5 ILE CG2 C 17.610 0.20 1 40 5 5 ILE N N 122.458 0.20 1 41 6 6 GLN H H 8.378 0.02 1 42 6 6 GLN HA H 4.238 0.02 1 43 6 6 GLN HB2 H 2.038 0.02 2 44 6 6 GLN HB3 H 2.038 0.02 2 45 6 6 GLN HG2 H 2.398 0.02 2 46 6 6 GLN HG3 H 2.398 0.02 2 47 6 6 GLN C C 177.191 0.20 1 48 6 6 GLN CA C 57.460 0.20 1 49 6 6 GLN CB C 28.900 0.20 1 50 6 6 GLN CG C 34.080 0.20 1 51 6 6 GLN N N 122.628 0.20 1 52 7 7 GLU H H 8.262 0.02 1 53 7 7 GLU HA H 4.153 0.02 1 54 7 7 GLU HB2 H 2.046 0.02 2 55 7 7 GLU HB3 H 2.046 0.02 2 56 7 7 GLU HG2 H 2.290 0.02 2 57 7 7 GLU HG3 H 2.290 0.02 2 58 7 7 GLU C C 177.856 0.20 1 59 7 7 GLU CA C 57.960 0.20 1 60 7 7 GLU CB C 30.300 0.20 1 61 7 7 GLU CG C 36.820 0.20 1 62 7 7 GLU N N 121.815 0.20 1 63 8 8 LYS H H 8.343 0.02 1 64 8 8 LYS HA H 4.176 0.02 1 65 8 8 LYS HB2 H 1.857 0.02 2 66 8 8 LYS HB3 H 1.857 0.02 2 67 8 8 LYS HG2 H 1.449 0.02 2 68 8 8 LYS HG3 H 1.449 0.02 2 69 8 8 LYS HD2 H 1.710 0.02 2 70 8 8 LYS HD3 H 1.710 0.02 2 71 8 8 LYS C C 177.788 0.20 1 72 8 8 LYS CA C 57.870 0.20 1 73 8 8 LYS CB C 32.610 0.20 1 74 8 8 LYS CG C 25.000 0.20 1 75 8 8 LYS CD C 29.180 0.20 1 76 8 8 LYS CE C 41.510 0.20 1 77 8 8 LYS N N 121.293 0.20 1 78 9 9 GLU H H 8.411 0.02 1 79 9 9 GLU HA H 4.114 0.02 1 80 9 9 GLU HB2 H 2.052 0.02 2 81 9 9 GLU HB3 H 2.052 0.02 2 82 9 9 GLU HG2 H 2.351 0.02 2 83 9 9 GLU HG3 H 2.246 0.02 2 84 9 9 GLU C C 177.900 0.20 1 85 9 9 GLU CA C 58.210 0.20 1 86 9 9 GLU CB C 29.870 0.20 1 87 9 9 GLU CG C 36.550 0.20 1 88 9 9 GLU N N 120.556 0.20 1 89 10 10 GLN H H 8.179 0.02 1 90 10 10 GLN HA H 4.161 0.02 1 91 10 10 GLN HB2 H 2.095 0.02 2 92 10 10 GLN HB3 H 2.095 0.02 2 93 10 10 GLN HG2 H 2.401 0.02 2 94 10 10 GLN HG3 H 2.401 0.02 2 95 10 10 GLN C C 176.900 0.20 1 96 10 10 GLN CA C 57.180 0.20 1 97 10 10 GLN CB C 29.040 0.20 1 98 10 10 GLN CG C 33.880 0.20 1 99 10 10 GLN N N 119.787 0.20 1 100 11 11 GLU H H 8.177 0.02 1 101 11 11 GLU HA H 4.162 0.02 1 102 11 11 GLU HB2 H 2.055 0.02 2 103 11 11 GLU HB3 H 2.055 0.02 2 104 11 11 GLU HG2 H 2.349 0.02 2 105 11 11 GLU HG3 H 2.224 0.02 2 106 11 11 GLU C C 177.600 0.20 1 107 11 11 GLU CA C 57.950 0.20 1 108 11 11 GLU CB C 30.080 0.20 1 109 11 11 GLU CG C 36.410 0.20 1 110 11 11 GLU N N 120.929 0.20 1 111 12 12 LEU H H 8.054 0.02 1 112 12 12 LEU HA H 4.244 0.02 1 113 12 12 LEU HB2 H 1.730 0.02 2 114 12 12 LEU HB3 H 1.591 0.02 2 115 12 12 LEU HG H 1.389 0.02 1 116 12 12 LEU HD1 H 0.895 0.02 2 117 12 12 LEU HD2 H 0.895 0.02 2 118 12 12 LEU C C 178.217 0.20 1 119 12 12 LEU CA C 56.340 0.20 1 120 12 12 LEU CB C 42.010 0.20 1 121 12 12 LEU CG C 26.950 0.20 1 122 12 12 LEU CD1 C 24.900 0.20 2 123 12 12 LEU CD2 C 23.710 0.20 2 124 12 12 LEU N N 121.357 0.20 1 125 13 13 LYS H H 8.048 0.02 1 126 13 13 LYS HA H 4.181 0.02 1 127 13 13 LYS HB2 H 1.836 0.02 2 128 13 13 LYS HB3 H 1.708 0.02 2 129 13 13 LYS HG2 H 1.440 0.02 2 130 13 13 LYS HG3 H 1.440 0.02 2 131 13 13 LYS C C 176.889 0.20 1 132 13 13 LYS CA C 57.460 0.20 1 133 13 13 LYS CB C 32.770 0.20 1 134 13 13 LYS CG C 24.930 0.20 1 135 13 13 LYS CD C 29.110 0.20 1 136 13 13 LYS CE C 42.270 0.20 1 137 13 13 LYS N N 120.587 0.20 1 138 14 14 ASN H H 8.236 0.02 1 139 14 14 ASN HA H 4.630 0.02 1 140 14 14 ASN HB2 H 2.852 0.02 2 141 14 14 ASN HB3 H 2.852 0.02 2 142 14 14 ASN C C 175.736 0.20 1 143 14 14 ASN CA C 54.320 0.20 1 144 14 14 ASN CB C 38.570 0.20 1 145 14 14 ASN N N 118.174 0.20 1 146 15 15 LEU H H 8.013 0.02 1 147 15 15 LEU HA H 4.286 0.02 1 148 15 15 LEU HB2 H 1.689 0.02 2 149 15 15 LEU HB3 H 1.689 0.02 2 150 15 15 LEU HD1 H 0.911 0.02 2 151 15 15 LEU HD2 H 0.911 0.02 2 152 15 15 LEU C C 177.900 0.20 1 153 15 15 LEU CA C 56.240 0.20 1 154 15 15 LEU CB C 42.280 0.20 1 155 15 15 LEU CG C 27.310 0.20 1 156 15 15 LEU CD1 C 24.950 0.20 2 157 15 15 LEU CD2 C 23.690 0.20 2 158 15 15 LEU N N 121.822 0.20 1 159 16 16 LYS H H 8.156 0.02 1 160 16 16 LYS HA H 4.237 0.02 1 161 16 16 LYS HB2 H 1.835 0.02 2 162 16 16 LYS HB3 H 1.705 0.02 2 163 16 16 LYS HG2 H 1.446 0.02 2 164 16 16 LYS HG3 H 1.446 0.02 2 165 16 16 LYS C C 176.841 0.20 1 166 16 16 LYS CA C 57.080 0.20 1 167 16 16 LYS CB C 32.870 0.20 1 168 16 16 LYS CG C 24.790 0.20 1 169 16 16 LYS CD C 29.150 0.20 1 170 16 16 LYS CE C 42.280 0.20 1 171 16 16 LYS N N 120.728 0.20 1 172 17 17 ASP H H 8.251 0.02 1 173 17 17 ASP HA H 4.549 0.02 1 174 17 17 ASP HB2 H 2.692 0.02 2 175 17 17 ASP HB3 H 2.692 0.02 2 176 17 17 ASP C C 176.538 0.20 1 177 17 17 ASP CA C 55.420 0.20 1 178 17 17 ASP CB C 41.060 0.20 1 179 17 17 ASP N N 120.263 0.20 1 180 18 18 ASN H H 8.304 0.02 1 181 18 18 ASN HA H 4.627 0.02 1 182 18 18 ASN HB2 H 2.844 0.02 2 183 18 18 ASN HB3 H 2.844 0.02 2 184 18 18 ASN C C 176.184 0.20 1 185 18 18 ASN CA C 54.490 0.20 1 186 18 18 ASN CB C 38.700 0.20 1 187 18 18 ASN N N 119.052 0.20 1 188 19 19 VAL H H 8.085 0.02 1 189 19 19 VAL HA H 3.923 0.02 1 190 19 19 VAL HB H 2.161 0.02 1 191 19 19 VAL HG1 H 0.978 0.02 2 192 19 19 VAL HG2 H 0.978 0.02 2 193 19 19 VAL C C 177.420 0.20 1 194 19 19 VAL CA C 64.500 0.20 1 195 19 19 VAL CB C 32.240 0.20 1 196 19 19 VAL CG1 C 21.370 0.20 2 197 19 19 VAL CG2 C 21.370 0.20 2 198 19 19 VAL N N 120.688 0.20 1 199 20 20 GLU H H 8.238 0.02 1 200 20 20 GLU HA H 4.243 0.02 1 201 20 20 GLU HB2 H 2.034 0.02 2 202 20 20 GLU HB3 H 2.034 0.02 2 203 20 20 GLU HG2 H 2.297 0.02 2 204 20 20 GLU HG3 H 2.297 0.02 2 205 20 20 GLU C C 177.760 0.20 1 206 20 20 GLU CA C 57.870 0.20 1 207 20 20 GLU CB C 29.660 0.20 1 208 20 20 GLU CG C 36.120 0.20 1 209 20 20 GLU N N 122.410 0.20 1 210 21 21 LEU H H 8.029 0.02 1 211 21 21 LEU HA H 4.158 0.02 1 212 21 21 LEU HB2 H 1.736 0.02 2 213 21 21 LEU HB3 H 1.606 0.02 2 214 21 21 LEU HG H 1.485 0.02 1 215 21 21 LEU HD1 H 0.914 0.02 2 216 21 21 LEU HD2 H 0.914 0.02 2 217 21 21 LEU C C 178.958 0.20 1 218 21 21 LEU CA C 57.070 0.20 1 219 21 21 LEU CB C 42.100 0.20 1 220 21 21 LEU CG C 27.040 0.20 1 221 21 21 LEU CD1 C 24.910 0.20 2 222 21 21 LEU CD2 C 23.810 0.20 2 223 21 21 LEU N N 120.920 0.20 1 224 22 22 GLU H H 8.156 0.02 1 225 22 22 GLU HA H 4.103 0.02 1 226 22 22 GLU HB2 H 2.050 0.02 2 227 22 22 GLU HB3 H 2.050 0.02 2 228 22 22 GLU HG2 H 2.290 0.02 2 229 22 22 GLU HG3 H 2.290 0.02 2 230 22 22 GLU C C 177.979 0.20 1 231 22 22 GLU CA C 58.160 0.20 1 232 22 22 GLU CB C 30.240 0.20 1 233 22 22 GLU CG C 36.270 0.20 1 234 22 22 GLU N N 119.760 0.20 1 235 23 23 ARG H H 8.012 0.02 1 236 23 23 ARG HA H 4.143 0.02 1 237 23 23 ARG HB2 H 1.885 0.02 2 238 23 23 ARG HB3 H 1.885 0.02 2 239 23 23 ARG HG2 H 1.622 0.02 2 240 23 23 ARG HG3 H 1.622 0.02 2 241 23 23 ARG HD2 H 3.195 0.02 2 242 23 23 ARG HD3 H 3.195 0.02 2 243 23 23 ARG C C 177.818 0.20 1 244 23 23 ARG CA C 58.190 0.20 1 245 23 23 ARG CB C 30.310 0.20 1 246 23 23 ARG CG C 27.390 0.20 1 247 23 23 ARG CD C 43.370 0.20 1 248 23 23 ARG N N 120.500 0.20 1 249 24 24 LEU H H 8.017 0.02 1 250 24 24 LEU HA H 4.184 0.02 1 251 24 24 LEU HB2 H 1.753 0.02 2 252 24 24 LEU HB3 H 1.584 0.02 2 253 24 24 LEU HG H 1.505 0.02 1 254 24 24 LEU HD1 H 0.892 0.02 2 255 24 24 LEU HD2 H 0.892 0.02 2 256 24 24 LEU C C 178.534 0.20 1 257 24 24 LEU CA C 56.510 0.20 1 258 24 24 LEU CB C 42.090 0.20 1 259 24 24 LEU CG C 26.910 0.20 1 260 24 24 LEU CD1 C 25.100 0.20 2 261 24 24 LEU CD2 C 23.350 0.20 2 262 24 24 LEU N N 120.340 0.20 1 263 25 25 LYS H H 7.978 0.02 1 264 25 25 LYS HA H 4.148 0.02 1 265 25 25 LYS HB2 H 1.853 0.02 2 266 25 25 LYS HB3 H 1.853 0.02 2 267 25 25 LYS HG2 H 1.493 0.02 2 268 25 25 LYS HG3 H 1.405 0.02 2 269 25 25 LYS HD2 H 1.705 0.02 2 270 25 25 LYS HD3 H 1.705 0.02 2 271 25 25 LYS C C 177.243 0.20 1 272 25 25 LYS CA C 57.800 0.20 1 273 25 25 LYS CB C 32.720 0.20 1 274 25 25 LYS CG C 24.920 0.20 1 275 25 25 LYS CD C 29.350 0.20 1 276 25 25 LYS CE C 42.330 0.20 1 277 25 25 LYS N N 120.035 0.20 1 278 26 26 ASN H H 8.135 0.02 1 279 26 26 ASN HA H 4.655 0.02 1 280 26 26 ASN HB2 H 2.849 0.02 2 281 26 26 ASN HB3 H 2.756 0.02 2 282 26 26 ASN C C 175.509 0.20 1 283 26 26 ASN CA C 53.840 0.20 1 284 26 26 ASN CB C 38.950 0.20 1 285 26 26 ASN N N 118.002 0.20 1 286 27 27 GLU H H 8.148 0.02 1 287 27 27 GLU HA H 4.242 0.02 1 288 27 27 GLU HB2 H 1.912 0.02 2 289 27 27 GLU HB3 H 1.912 0.02 2 290 27 27 GLU HG2 H 2.256 0.02 2 291 27 27 GLU HG3 H 2.256 0.02 2 292 27 27 GLU C C 177.858 0.20 1 293 27 27 GLU CA C 58.280 0.20 1 294 27 27 GLU CB C 30.320 0.20 1 295 27 27 GLU CG C 36.390 0.20 1 296 27 27 GLU N N 120.852 0.20 1 297 28 28 ARG H H 8.160 0.02 1 298 28 28 ARG HA H 4.264 0.02 1 299 28 28 ARG HB2 H 1.813 0.02 2 300 28 28 ARG HB3 H 1.813 0.02 2 301 28 28 ARG HG2 H 1.602 0.02 2 302 28 28 ARG HG3 H 1.602 0.02 2 303 28 28 ARG C C 176.300 0.20 1 304 28 28 ARG CA C 56.370 0.20 1 305 28 28 ARG CB C 30.760 0.20 1 306 28 28 ARG CG C 27.110 0.20 1 307 28 28 ARG CD C 43.290 0.20 1 308 28 28 ARG N N 120.900 0.20 1 309 29 29 HIS H H 8.505 0.02 1 310 29 29 HIS HA H 4.684 0.02 1 311 29 29 HIS HB2 H 3.276 0.02 2 312 29 29 HIS HB3 H 3.124 0.02 2 313 29 29 HIS C C 174.696 0.20 1 314 29 29 HIS CA C 55.760 0.20 1 315 29 29 HIS CB C 29.430 0.20 1 316 29 29 HIS N N 119.981 0.20 1 317 30 30 ASP H H 8.444 0.02 1 318 30 30 ASP HA H 4.526 0.02 1 319 30 30 ASP HB2 H 2.612 0.02 2 320 30 30 ASP HB3 H 2.612 0.02 2 321 30 30 ASP C C 176.216 0.20 1 322 30 30 ASP CA C 54.830 0.20 1 323 30 30 ASP CB C 41.040 0.20 1 324 30 30 ASP N N 120.802 0.20 1 325 31 31 HIS H H 8.431 0.02 1 326 31 31 HIS HA H 4.629 0.02 1 327 31 31 HIS HB2 H 3.224 0.02 2 328 31 31 HIS HB3 H 3.224 0.02 2 329 31 31 HIS C C 174.678 0.20 1 330 31 31 HIS CA C 56.230 0.20 1 331 31 31 HIS CB C 29.450 0.20 1 332 31 31 HIS N N 118.362 0.20 1 333 32 32 ASP H H 8.394 0.02 1 334 32 32 ASP HA H 4.589 0.02 1 335 32 32 ASP HB2 H 2.782 0.02 2 336 32 32 ASP HB3 H 2.649 0.02 2 337 32 32 ASP C C 176.641 0.20 1 338 32 32 ASP CA C 54.650 0.20 1 339 32 32 ASP CB C 40.940 0.20 1 340 32 32 ASP N N 122.147 0.20 1 341 33 33 GLU H H 8.580 0.02 1 342 33 33 GLU HA H 4.118 0.02 1 343 33 33 GLU HB2 H 2.037 0.02 2 344 33 33 GLU HB3 H 2.037 0.02 2 345 33 33 GLU HG2 H 2.285 0.02 2 346 33 33 GLU HG3 H 2.285 0.02 2 347 33 33 GLU C C 176.725 0.20 1 348 33 33 GLU CA C 58.150 0.20 1 349 33 33 GLU CB C 29.990 0.20 1 350 33 33 GLU CG C 36.460 0.20 1 351 33 33 GLU N N 122.349 0.20 1 352 34 34 GLU H H 8.309 0.02 1 353 34 34 GLU HA H 4.137 0.02 1 354 34 34 GLU HB2 H 2.056 0.02 2 355 34 34 GLU HB3 H 2.056 0.02 2 356 34 34 GLU HG2 H 2.287 0.02 2 357 34 34 GLU HG3 H 2.287 0.02 2 358 34 34 GLU C C 177.795 0.20 1 359 34 34 GLU CA C 55.950 0.20 1 360 34 34 GLU CB C 29.640 0.20 1 361 34 34 GLU CG C 36.340 0.20 1 362 34 34 GLU N N 120.581 0.20 1 363 35 35 ALA H H 8.072 0.02 1 364 35 35 ALA HA H 4.126 0.02 1 365 35 35 ALA HB H 1.429 0.02 1 366 35 35 ALA C C 179.952 0.20 1 367 35 35 ALA CA C 54.220 0.20 1 368 35 35 ALA CB C 18.610 0.20 1 369 35 35 ALA N N 123.107 0.20 1 370 36 36 GLU H H 8.153 0.02 1 371 36 36 GLU HA H 4.143 0.02 1 372 36 36 GLU HB2 H 2.056 0.02 2 373 36 36 GLU HB3 H 2.056 0.02 2 374 36 36 GLU HG2 H 2.311 0.02 2 375 36 36 GLU HG3 H 2.311 0.02 2 376 36 36 GLU C C 177.979 0.20 1 377 36 36 GLU CA C 58.250 0.20 1 378 36 36 GLU CB C 29.790 0.20 1 379 36 36 GLU CG C 36.400 0.20 1 380 36 36 GLU N N 118.847 0.20 1 381 37 37 ARG H H 8.066 0.02 1 382 37 37 ARG HA H 4.171 0.02 1 383 37 37 ARG HB2 H 1.884 0.02 2 384 37 37 ARG HB3 H 1.884 0.02 2 385 37 37 ARG HG2 H 1.432 0.02 2 386 37 37 ARG HG3 H 1.432 0.02 2 387 37 37 ARG C C 177.858 0.20 1 388 37 37 ARG CA C 58.270 0.20 1 389 37 37 ARG CB C 30.100 0.20 1 390 37 37 ARG CG C 27.310 0.20 1 391 37 37 ARG N N 120.926 0.20 1 392 38 38 LYS H H 8.071 0.02 1 393 38 38 LYS HA H 4.134 0.02 1 394 38 38 LYS HB2 H 1.844 0.02 2 395 38 38 LYS HB3 H 1.844 0.02 2 396 38 38 LYS HG2 H 1.471 0.02 2 397 38 38 LYS HG3 H 1.471 0.02 2 398 38 38 LYS C C 177.485 0.20 1 399 38 38 LYS CA C 57.880 0.20 1 400 38 38 LYS CB C 32.580 0.20 1 401 38 38 LYS CG C 25.010 0.20 1 402 38 38 LYS CD C 29.010 0.20 1 403 38 38 LYS CE C 41.170 0.20 1 404 38 38 LYS N N 123.300 0.20 1 405 39 39 ALA H H 7.997 0.02 1 406 39 39 ALA HA H 4.233 0.02 1 407 39 39 ALA HB H 1.450 0.02 1 408 39 39 ALA C C 179.233 0.20 1 409 39 39 ALA CA C 53.780 0.20 1 410 39 39 ALA CB C 18.510 0.20 1 411 39 39 ALA N N 122.272 0.20 1 412 40 40 LEU H H 7.872 0.02 1 413 40 40 LEU HA H 4.209 0.02 1 414 40 40 LEU HB2 H 1.729 0.02 2 415 40 40 LEU HB3 H 1.729 0.02 2 416 40 40 LEU HD1 H 0.914 0.02 2 417 40 40 LEU HD2 H 0.914 0.02 2 418 40 40 LEU C C 178.427 0.20 1 419 40 40 LEU CA C 56.770 0.20 1 420 40 40 LEU CB C 42.150 0.20 1 421 40 40 LEU CG C 26.890 0.20 1 422 40 40 LEU CD1 C 24.770 0.20 2 423 40 40 LEU CD2 C 23.750 0.20 2 424 40 40 LEU N N 119.692 0.20 1 425 41 41 GLU H H 8.141 0.02 1 426 41 41 GLU HA H 4.104 0.02 1 427 41 41 GLU HB2 H 2.061 0.02 2 428 41 41 GLU HB3 H 2.061 0.02 2 429 41 41 GLU HG2 H 2.326 0.02 2 430 41 41 GLU HG3 H 2.326 0.02 2 431 41 41 GLU C C 177.700 0.20 1 432 41 41 GLU CA C 57.940 0.20 1 433 41 41 GLU CB C 29.930 0.20 1 434 41 41 GLU CG C 36.380 0.20 1 435 41 41 GLU N N 120.139 0.20 1 436 42 42 ASP H H 8.314 0.02 1 437 42 42 ASP HA H 4.521 0.02 1 438 42 42 ASP HB2 H 2.690 0.02 2 439 42 42 ASP HB3 H 2.690 0.02 2 440 42 42 ASP C C 177.163 0.20 1 441 42 42 ASP CA C 55.430 0.20 1 442 42 42 ASP CB C 40.790 0.20 1 443 42 42 ASP N N 120.600 0.20 1 444 43 43 LYS H H 8.000 0.02 1 445 43 43 LYS HA H 4.244 0.02 1 446 43 43 LYS HB2 H 1.881 0.02 2 447 43 43 LYS HB3 H 1.881 0.02 2 448 43 43 LYS HG2 H 1.476 0.02 2 449 43 43 LYS HG3 H 1.476 0.02 2 450 43 43 LYS C C 177.541 0.20 1 451 43 43 LYS CA C 57.250 0.20 1 452 43 43 LYS CB C 32.650 0.20 1 453 43 43 LYS CG C 24.880 0.20 1 454 43 43 LYS CD C 29.170 0.20 1 455 43 43 LYS CE C 42.200 0.20 1 456 43 43 LYS N N 120.696 0.20 1 457 44 44 LEU H H 8.088 0.02 1 458 44 44 LEU HA H 4.262 0.02 1 459 44 44 LEU HB2 H 1.730 0.02 2 460 44 44 LEU HB3 H 1.589 0.02 2 461 44 44 LEU HD1 H 0.895 0.02 2 462 44 44 LEU HD2 H 0.895 0.02 2 463 44 44 LEU C C 177.755 0.20 1 464 44 44 LEU CA C 55.810 0.20 1 465 44 44 LEU CB C 42.010 0.20 1 466 44 44 LEU CG C 26.890 0.20 1 467 44 44 LEU CD1 C 25.060 0.20 2 468 44 44 LEU CD2 C 23.380 0.20 2 469 44 44 LEU N N 121.252 0.20 1 470 45 45 ALA H H 7.977 0.02 1 471 45 45 ALA HA H 4.244 0.02 1 472 45 45 ALA HB H 1.422 0.02 1 473 45 45 ALA C C 177.788 0.20 1 474 45 45 ALA CA C 52.970 0.20 1 475 45 45 ALA CB C 19.120 0.20 1 476 45 45 ALA N N 123.184 0.20 1 477 46 46 ASP H H 8.119 0.02 1 478 46 46 ASP HA H 4.545 0.02 1 479 46 46 ASP HB2 H 2.692 0.02 2 480 46 46 ASP HB3 H 2.692 0.02 2 481 46 46 ASP C C 176.467 0.20 1 482 46 46 ASP CA C 54.640 0.20 1 483 46 46 ASP CB C 41.110 0.20 1 484 46 46 ASP N N 118.989 0.20 1 485 47 47 LYS H H 8.156 0.02 1 486 47 47 LYS HA H 4.282 0.02 1 487 47 47 LYS HB2 H 1.836 0.02 2 488 47 47 LYS HB3 H 1.836 0.02 2 489 47 47 LYS HG2 H 1.430 0.02 2 490 47 47 LYS HG3 H 1.430 0.02 2 491 47 47 LYS HE2 H 2.975 0.02 2 492 47 47 LYS HE3 H 2.975 0.02 2 493 47 47 LYS C C 177.856 0.20 1 494 47 47 LYS CA C 56.510 0.20 1 495 47 47 LYS CB C 32.720 0.20 1 496 47 47 LYS CG C 24.650 0.20 1 497 47 47 LYS CE C 42.150 0.20 1 498 47 47 LYS N N 121.191 0.20 1 499 48 48 GLN H H 8.304 0.02 1 500 48 48 GLN HA H 4.263 0.02 1 501 48 48 GLN HB2 H 2.015 0.02 2 502 48 48 GLN HB3 H 2.015 0.02 2 503 48 48 GLN HG2 H 2.331 0.02 2 504 48 48 GLN HG3 H 2.331 0.02 2 505 48 48 GLN C C 175.979 0.20 1 506 48 48 GLN CA C 56.030 0.20 1 507 48 48 GLN CB C 29.420 0.20 1 508 48 48 GLN CG C 33.880 0.20 1 509 48 48 GLN N N 120.500 0.20 1 510 49 49 GLU H H 8.393 0.02 1 511 49 49 GLU HA H 4.202 0.02 1 512 49 49 GLU HB2 H 1.903 0.02 2 513 49 49 GLU HB3 H 1.903 0.02 2 514 49 49 GLU HG2 H 2.176 0.02 2 515 49 49 GLU HG3 H 2.176 0.02 2 516 49 49 GLU C C 176.235 0.20 1 517 49 49 GLU CA C 56.850 0.20 1 518 49 49 GLU CB C 30.470 0.20 1 519 49 49 GLU CG C 36.270 0.20 1 520 49 49 GLU N N 121.445 0.20 1 521 50 50 HIS H H 8.482 0.02 1 522 50 50 HIS HA H 4.673 0.02 1 523 50 50 HIS HB2 H 3.189 0.02 2 524 50 50 HIS HB3 H 3.126 0.02 2 525 50 50 HIS C C 174.683 0.20 1 526 50 50 HIS CA C 55.480 0.20 1 527 50 50 HIS CB C 29.460 0.20 1 528 50 50 HIS N N 119.514 0.20 1 529 51 51 LEU H H 8.304 0.02 1 530 51 51 LEU HA H 4.349 0.02 1 531 51 51 LEU HB2 H 1.578 0.02 2 532 51 51 LEU HB3 H 1.578 0.02 2 533 51 51 LEU HD1 H 0.855 0.02 2 534 51 51 LEU HD2 H 0.855 0.02 2 535 51 51 LEU C C 177.103 0.20 1 536 51 51 LEU CA C 55.220 0.20 1 537 51 51 LEU CB C 42.300 0.20 1 538 51 51 LEU CG C 26.910 0.20 1 539 51 51 LEU CD1 C 24.830 0.20 2 540 51 51 LEU CD2 C 23.420 0.20 2 541 51 51 LEU N N 123.832 0.20 1 542 52 52 ASP H H 8.422 0.02 1 543 52 52 ASP HA H 4.547 0.02 1 544 52 52 ASP HB2 H 2.676 0.02 2 545 52 52 ASP HB3 H 2.676 0.02 2 546 52 52 ASP C C 176.910 0.20 1 547 52 52 ASP CA C 54.590 0.20 1 548 52 52 ASP CB C 41.220 0.20 1 549 52 52 ASP N N 121.125 0.20 1 550 53 53 GLY H H 8.352 0.02 1 551 53 53 GLY HA2 H 3.916 0.02 2 552 53 53 GLY HA3 H 3.916 0.02 2 553 53 53 GLY C C 174.100 0.20 1 554 53 53 GLY CA C 45.640 0.20 1 555 53 53 GLY N N 109.658 0.20 1 556 54 54 ALA H H 8.072 0.02 1 557 54 54 ALA HA H 4.272 0.02 1 558 54 54 ALA HB H 1.366 0.02 1 559 54 54 ALA C C 177.637 0.20 1 560 54 54 ALA CA C 52.560 0.20 1 561 54 54 ALA CB C 19.300 0.20 1 562 54 54 ALA N N 123.200 0.20 1 563 55 55 LEU H H 8.082 0.02 1 564 55 55 LEU HA H 4.264 0.02 1 565 55 55 LEU HB2 H 1.602 0.02 2 566 55 55 LEU HB3 H 1.462 0.02 2 567 55 55 LEU HD1 H 0.870 0.02 2 568 55 55 LEU HD2 H 0.870 0.02 2 569 55 55 LEU C C 176.879 0.20 1 570 55 55 LEU CA C 55.130 0.20 1 571 55 55 LEU CB C 42.230 0.20 1 572 55 55 LEU CG C 26.990 0.20 1 573 55 55 LEU CD1 C 24.790 0.20 2 574 55 55 LEU CD2 C 23.560 0.20 2 575 55 55 LEU N N 120.805 0.20 1 576 56 56 ARG H H 8.084 0.02 1 577 56 56 ARG HA H 4.303 0.02 1 578 56 56 ARG HB2 H 1.772 0.02 2 579 56 56 ARG HB3 H 1.640 0.02 2 580 56 56 ARG HG2 H 1.516 0.02 2 581 56 56 ARG HG3 H 1.516 0.02 2 582 56 56 ARG HD2 H 3.137 0.02 2 583 56 56 ARG HD3 H 3.137 0.02 2 584 56 56 ARG C C 174.762 0.20 1 585 56 56 ARG CA C 55.680 0.20 1 586 56 56 ARG CB C 31.060 0.20 1 587 56 56 ARG CG C 26.990 0.20 1 588 56 56 ARG CD C 43.260 0.20 1 589 56 56 ARG N N 121.864 0.20 1 590 57 57 TYR H H 7.700 0.02 1 591 57 57 TYR HA H 4.374 0.02 1 592 57 57 TYR HB2 H 3.071 0.02 2 593 57 57 TYR HB3 H 2.845 0.02 2 594 57 57 TYR HD1 H 6.654 0.02 3 595 57 57 TYR HD2 H 6.654 0.02 3 596 57 57 TYR HE1 H 6.452 0.02 3 597 57 57 TYR HE2 H 6.452 0.02 3 598 57 57 TYR CA C 59.060 0.20 1 599 57 57 TYR CB C 39.570 0.20 1 600 57 57 TYR N N 126.033 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 30390 >> _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 >> >> Lys3N-HN 123.408 8.533 9963166 >> Thr4N-HN 115.500 8.401 38186840 >> Ile5N-HN 122.458 8.363 63440880 >> Gln6N-HN 122.628 8.378 64855928 >> Glu7N-HN 121.815 8.262 62460360 >> Lys8N-HN 121.293 8.343 76160096 >> Glu9N-HN 120.556 8.411 76094048 >> Gln10N-HN 119.787 8.179 64996948 >> Glu11N-HN 120.929 8.177 76553160 >> Leu12N-HN 121.357 8.054 62976312 >> Lys13N-HN 120.587 8.048 59411104 >> Asn14N-HN 118.174 8.236 46900564 >> Leu15N-HN 121.822 8.013 67802128 >> Lys16N-HN 120.728 8.156 105211920 >> Asp17N-HN 120.263 8.251 69437800 >> Asn18N-HN 119.052 8.304 57064236 >> Val19N-HN 120.688 8.085 143270912 >> Glu20N-HN 122.410 8.238 69594256 >> Leu21N-HN 120.920 8.029 70755968 >> Glu22N-HN 119.760 8.156 54000548 >> Arg23N-HN 120.481 8.012 60684260 >> Leu24N-HN 120.340 8.017 108852416 >> Lys25N-HN 120.035 7.978 62526392 >> Asn26N-HN 118.002 8.135 42851976 >> Glu27N-HN 120.852 8.148 53626424 >> Arg28N-HN 120.944 8.160 100303984 >> His29N-HN 119.981 8.505 13969650 >> Asp30N-HN 120.802 8.444 38428352 >> His31N-HN 118.362 8.431 25209256 >> Asp32N-HN 122.147 8.394 48158440 >> Glu33N-HN 122.349 8.580 68869056 >> Glu34N-HN 120.581 8.309 170934272 >> Ala35N-HN 123.107 8.072 112651912 >> Glu36N-HN 118.847 8.153 67045736 >> Arg37N-HN 120.926 8.066 64362560 >> Lys38N-HN 123.339 8.071 57276560 >> Ala39N-HN 122.272 7.997 73134144 >> Leu40N-HN 119.692 7.872 64856476 >> Glu41N-HN 120.139 8.141 70480216 >> Asp42N-HN 120.632 8.314 136651872 >> Lys43N-HN 120.696 8.000 63141096 >> Leu44N-HN 121.252 8.088 56723012 >> Ala45N-HN 123.184 7.977 81617392 >> Asp46N-HN 118.989 8.119 73774040 >> Lys47N-HN 121.191 8.156 38038896 >> Gln48N-HN 120.531 8.304 129162976 >> Glu49N-HN 121.445 8.393 74156544 >> His50N-HN 119.514 8.482 33332040 >> Leu51N-HN 123.832 8.304 52541076 >> Asp52N-HN 121.125 8.422 84426144 >> Gly53N-HN 109.658 8.352 60292620 >> Ala54N-HN 123.199 8.072 117432504 >> Leu55N-HN 120.805 8.082 83093240 >> Arg56N-HN 121.864 8.084 75792864 >> Tyr57N-HN 126.033 7.700 85620192 >>; >> >> 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 . . 30390 1 >> 2 . . N 15 N 1 . 22 ppm . . . 117.8 . . 30390 1 >> >> stop_ >> >>save_ >> ; save_