data_30235 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of the Two-component Bacteriocin CbnXY ; _BMRB_accession_number 30235 _BMRB_flat_file_name bmr30235.str _Entry_type original _Submission_date 2017-01-18 _Accession_date 2017-01-18 _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 Acedo J. Z. . 2 Towle K. M. . 3 Lohans C. T. . 4 McKay R. T. . 5 Miskolzie M. . . 6 Doerksen T. . . 7 Vederas J. C. . 8 Martin-Visscher L. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 157 "13C chemical shifts" 90 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-27 update BMRB 'update entry citation' 2017-11-20 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30236 'Bacteriocin CbnX' stop_ _Original_release_date 2017-02-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28391617 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Acedo J. Z. . 2 Towle K. M. . 3 Lohans C. T. . 4 McKay R. T. . 5 Miskolzie M. . . 6 Doerksen T. . . 7 Vederas J. C. . 8 Martin-Visscher L. A. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 591 _Journal_issue 10 _Journal_ISSN 1873-3468 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1349 _Page_last 1359 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Bacteriocin _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 3098.687 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; SAILAITLGIFATGYGMGVQ KAINDRRKK ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 ILE 4 LEU 5 ALA 6 ILE 7 THR 8 LEU 9 GLY 10 ILE 11 PHE 12 ALA 13 THR 14 GLY 15 TYR 16 GLY 17 MET 18 GLY 19 VAL 20 GLN 21 LYS 22 ALA 23 ILE 24 ASN 25 ASP 26 ARG 27 ARG 28 LYS 29 LYS 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 $entity_1 'Carnobacterium maltaromaticum' 2751 Bacteria . Carnobacterium maltaromaticum 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 $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-99% 13C; U-99% 15N] CbnY, 50 % D trifluoroethanol, 50 % water, 0.01 % DSS, trifluoroethanol/water' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' DSS 0.01 % none trifluoroethanol 50 % D water 50 % none stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 700 _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_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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 . mM pH 6 . pH pressure 760 . mmHg temperature 300 . 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 internal indirect . . . 0.251449582 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132905 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-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 1 1 SER HA H 4.2910 0.0000 1 2 1 1 SER HB2 H 4.2300 0.0000 1 3 1 1 SER HB3 H 4.1060 0.0000 1 4 1 1 SER CA C 56.6750 0.0000 1 5 1 1 SER CB C 63.2720 0.0000 1 6 2 2 ALA H H 8.9090 0.0000 1 7 2 2 ALA HA H 4.3960 0.0000 1 8 2 2 ALA HB H 1.5000 0.0000 1 9 2 2 ALA CA C 54.0630 0.0000 1 10 2 2 ALA CB C 17.7990 0.0000 1 11 2 2 ALA N N 124.9720 0.0000 1 12 3 3 ILE H H 7.7120 0.0000 1 13 3 3 ILE HA H 4.0200 0.0000 1 14 3 3 ILE HB H 1.8470 0.0000 1 15 3 3 ILE HG12 H 1.5140 0.0000 1 16 3 3 ILE HG13 H 1.3210 0.0000 1 17 3 3 ILE HG2 H 0.9470 0.0000 1 18 3 3 ILE HD1 H 0.9330 0.0000 1 19 3 3 ILE CA C 63.0850 0.0000 1 20 3 3 ILE CB C 37.9030 0.0000 1 21 3 3 ILE CG1 C 28.2850 0.0000 1 22 3 3 ILE CG2 C 16.6080 0.0000 1 23 3 3 ILE CD1 C 11.9560 0.0000 1 24 3 3 ILE N N 115.4500 0.0000 1 25 4 4 LEU H H 7.6660 0.0000 1 26 4 4 LEU HA H 4.1910 0.0000 1 27 4 4 LEU HB2 H 1.6560 0.0000 1 28 4 4 LEU HB3 H 1.7520 0.0000 1 29 4 4 LEU HG H 0.9430 0.0000 1 30 4 4 LEU HD1 H 0.8840 0.0000 1 31 4 4 LEU HD2 H 0.8840 0.0000 1 32 4 4 LEU CA C 57.8210 0.0000 1 33 4 4 LEU CB C 41.6380 0.0000 1 34 4 4 LEU CG C 23.7820 0.0000 1 35 4 4 LEU CD1 C 22.0020 0.0000 1 36 4 4 LEU CD2 C 22.0020 0.0000 1 37 4 4 LEU N N 123.5580 0.0000 1 38 5 5 ALA H H 7.5170 0.0000 1 39 5 5 ALA HA H 4.0780 0.0000 1 40 5 5 ALA HB H 1.5250 0.0000 1 41 5 5 ALA CA C 55.2720 0.0000 1 42 5 5 ALA CB C 17.5560 0.0000 1 43 5 5 ALA N N 119.8760 0.0000 1 44 6 6 ILE H H 8.1580 0.0000 1 45 6 6 ILE HA H 3.8460 0.0000 1 46 6 6 ILE HB H 1.8990 0.0000 1 47 6 6 ILE HG12 H 1.7670 0.0000 1 48 6 6 ILE HG13 H 1.1740 0.0000 1 49 6 6 ILE HG2 H 0.9250 0.0000 1 50 6 6 ILE HD1 H 0.8670 0.0000 1 51 6 6 ILE CA C 65.0460 0.0000 1 52 6 6 ILE CB C 38.1960 0.0000 1 53 6 6 ILE CG1 C 28.9080 0.0000 1 54 6 6 ILE CG2 C 11.9550 0.0000 1 55 6 6 ILE CD1 C 12.1760 0.0000 1 56 6 6 ILE N N 117.2950 0.0000 1 57 7 7 THR H H 7.9600 0.0000 1 58 7 7 THR HA H 3.8870 0.0000 1 59 7 7 THR HB H 4.3560 0.0000 1 60 7 7 THR HG2 H 1.2110 0.0000 1 61 7 7 THR CA C 67.0280 0.0000 1 62 7 7 THR CB C 69.0120 0.0000 1 63 7 7 THR CG2 C 20.5590 0.0000 1 64 7 7 THR N N 115.2360 0.0000 1 65 8 8 LEU H H 8.4170 0.0000 1 66 8 8 LEU HA H 4.2630 0.0000 1 67 8 8 LEU HB2 H 1.8790 0.0000 1 68 8 8 LEU HB3 H 1.6210 0.0000 1 69 8 8 LEU HG H 0.9110 0.0000 1 70 8 8 LEU HD1 H 0.8980 0.0000 1 71 8 8 LEU HD2 H 0.8440 0.0000 1 72 8 8 LEU CA C 57.9220 0.0000 1 73 8 8 LEU CB C 41.4640 0.0000 1 74 8 8 LEU CG C 24.1160 0.0000 1 75 8 8 LEU CD1 C 23.0990 0.0000 1 76 8 8 LEU CD2 C 21.9620 0.0000 1 77 8 8 LEU N N 120.3050 0.0000 1 78 9 9 GLY H H 8.0450 0.0000 1 79 9 9 GLY HA2 H 3.9290 0.0000 1 80 9 9 GLY HA3 H 3.9290 0.0000 1 81 9 9 GLY CA C 46.7360 0.0000 1 82 9 9 GLY N N 105.8120 0.0000 1 83 10 10 ILE H H 8.3300 0.0000 1 84 10 10 ILE HA H 3.8720 0.0000 1 85 10 10 ILE HB H 2.0350 0.0000 1 86 10 10 ILE HG12 H 1.8110 0.0000 1 87 10 10 ILE HG13 H 1.1260 0.0000 1 88 10 10 ILE HG2 H 0.8530 0.0000 1 89 10 10 ILE HD1 H 0.8500 0.0000 1 90 10 10 ILE CA C 64.4450 0.0000 1 91 10 10 ILE CB C 37.8660 0.0000 1 92 10 10 ILE CG1 C 28.3550 0.0000 1 93 10 10 ILE CG2 C 16.3060 0.0000 1 94 10 10 ILE CD1 C 12.5690 0.0000 1 95 10 10 ILE N N 123.6520 0.0000 1 96 11 11 PHE H H 8.3190 0.0000 1 97 11 11 PHE HA H 4.3800 0.0000 1 98 11 11 PHE HB2 H 3.2880 0.0000 1 99 11 11 PHE HB3 H 3.2880 0.0000 1 100 11 11 PHE CA C 60.7970 0.0000 1 101 11 11 PHE CB C 38.5710 0.0000 1 102 11 11 PHE N N 120.5240 0.0000 1 103 12 12 ALA H H 8.9370 0.0000 1 104 12 12 ALA HA H 4.1650 0.0000 1 105 12 12 ALA HB H 1.6160 0.0000 1 106 12 12 ALA CA C 54.9900 0.0000 1 107 12 12 ALA CB C 17.9110 0.0000 1 108 12 12 ALA N N 121.0210 0.0000 1 109 13 13 THR H H 8.0330 0.0000 1 110 13 13 THR HA H 4.1530 0.0000 1 111 13 13 THR HB H 4.3880 0.0000 1 112 13 13 THR HG2 H 1.3270 0.0000 1 113 13 13 THR CA C 65.1850 0.0000 1 114 13 13 THR CB C 69.2400 0.0000 1 115 13 13 THR CG2 C 20.6450 0.0000 1 116 13 13 THR N N 111.7680 0.0000 1 117 14 14 GLY H H 8.2390 0.0000 1 118 14 14 GLY HA2 H 3.9120 0.0000 1 119 14 14 GLY HA3 H 3.9120 0.0000 1 120 14 14 GLY CA C 46.7360 0.0000 1 121 14 14 GLY N N 109.1430 0.0000 1 122 15 15 TYR H H 8.1980 0.0000 1 123 15 15 TYR HA H 4.3310 0.0000 1 124 15 15 TYR HB2 H 2.6940 0.0000 1 125 15 15 TYR HB3 H 2.1940 0.0000 1 126 15 15 TYR CA C 57.8590 0.0000 1 127 15 15 TYR CB C 32.1310 0.0000 1 128 15 15 TYR N N 119.3990 0.0000 1 129 16 16 GLY H H 8.0900 0.0000 1 130 16 16 GLY HA2 H 3.8910 0.0000 1 131 16 16 GLY HA3 H 3.8910 0.0000 1 132 16 16 GLY CA C 46.6390 0.0000 1 133 16 16 GLY N N 107.3570 0.0000 1 134 17 17 MET H H 8.3560 0.0000 1 135 17 17 MET HA H 4.2680 0.0000 1 136 17 17 MET HE H 2.0910 0.0000 1 137 17 17 MET CA C 60.6340 0.0000 1 138 17 17 MET CE C 16.0850 0.0000 1 139 17 17 MET N N 122.0250 0.0000 1 140 18 18 GLY H H 8.3430 0.0000 1 141 18 18 GLY HA2 H 3.8630 0.0000 1 142 18 18 GLY HA3 H 3.8630 0.0000 1 143 18 18 GLY CA C 46.6390 0.0000 1 144 18 18 GLY N N 106.4640 0.0000 1 145 19 19 VAL H H 7.9350 0.0000 1 146 19 19 VAL HA H 3.7360 0.0000 1 147 19 19 VAL HB H 2.1130 0.0000 1 148 19 19 VAL HG1 H 0.8890 0.0000 1 149 19 19 VAL HG2 H 0.8890 0.0000 1 150 19 19 VAL CA C 66.0830 0.0000 1 151 19 19 VAL CB C 31.8660 0.0000 1 152 19 19 VAL CG1 C 20.4520 0.0000 1 153 19 19 VAL CG2 C 20.4520 0.0000 1 154 19 19 VAL N N 122.1280 0.0000 1 155 20 20 GLN H H 8.0140 0.0000 1 156 20 20 GLN HA H 3.9550 0.0000 1 157 20 20 GLN HB2 H 2.1650 0.0000 1 158 20 20 GLN HB3 H 2.1650 0.0000 1 159 20 20 GLN HG2 H 2.4970 0.0000 1 160 20 20 GLN HG3 H 2.3860 0.0000 1 161 20 20 GLN HE21 H 7.0520 0.0000 1 162 20 20 GLN HE22 H 6.5120 0.0000 1 163 20 20 GLN CA C 59.1070 0.0000 1 164 20 20 GLN CB C 28.1780 0.0000 1 165 20 20 GLN CG C 33.8710 0.0000 1 166 20 20 GLN N N 117.5000 0.0000 1 167 20 20 GLN NE2 N 108.9500 0.0000 1 168 21 21 LYS H H 8.1040 0.0000 1 169 21 21 LYS HA H 4.0240 0.0000 1 170 21 21 LYS HB2 H 1.9610 0.0000 1 171 21 21 LYS HB3 H 1.9610 0.0000 1 172 21 21 LYS HG2 H 1.4920 0.0000 1 173 21 21 LYS HG3 H 1.4920 0.0000 1 174 21 21 LYS HD2 H 1.7400 0.0000 1 175 21 21 LYS HD3 H 1.7400 0.0000 1 176 21 21 LYS HE2 H 3.0230 0.0000 1 177 21 21 LYS HE3 H 3.0230 0.0000 1 178 21 21 LYS CA C 59.2500 0.0000 1 179 21 21 LYS CB C 32.2830 0.0000 1 180 21 21 LYS CG C 24.5640 0.0000 1 181 21 21 LYS CD C 28.8340 0.0000 1 182 21 21 LYS CE C 42.1300 0.0000 1 183 21 21 LYS N N 118.9500 0.0000 1 184 22 22 ALA H H 7.8880 0.0000 1 185 22 22 ALA HA H 4.1530 0.0000 1 186 22 22 ALA HB H 1.5440 0.0000 1 187 22 22 ALA CA C 54.9900 0.0000 1 188 22 22 ALA CB C 17.3220 0.0000 1 189 22 22 ALA N N 121.6270 0.0000 1 190 23 23 ILE H H 8.3210 0.0000 1 191 23 23 ILE HA H 3.7570 0.0000 1 192 23 23 ILE HB H 1.9190 0.0000 1 193 23 23 ILE HG12 H 1.7770 0.0000 1 194 23 23 ILE HG13 H 1.1700 0.0000 1 195 23 23 ILE HG2 H 0.8990 0.0000 1 196 23 23 ILE HD1 H 0.8430 0.0000 1 197 23 23 ILE CA C 64.5540 0.0000 1 198 23 23 ILE CB C 38.1960 0.0000 1 199 23 23 ILE CG1 C 28.3890 0.0000 1 200 23 23 ILE CG2 C 12.1900 0.0000 1 201 23 23 ILE CD1 C 12.3900 0.0000 1 202 23 23 ILE N N 117.5580 0.0000 1 203 24 24 ASN H H 8.2260 0.0000 1 204 24 24 ASN HA H 4.5080 0.0000 1 205 24 24 ASN HB2 H 2.8600 0.0000 1 206 24 24 ASN HB3 H 2.9220 0.0000 1 207 24 24 ASN HD21 H 7.5810 0.0000 1 208 24 24 ASN HD22 H 6.7880 0.0000 1 209 24 24 ASN CA C 55.8630 0.0000 1 210 24 24 ASN CB C 38.6090 0.0000 1 211 24 24 ASN N N 118.0980 0.0000 1 212 24 24 ASN ND2 N 111.1430 0.0000 1 213 25 25 ASP H H 8.3910 0.0000 1 214 25 25 ASP HA H 4.5920 0.0000 1 215 25 25 ASP HB2 H 2.9080 0.0000 1 216 25 25 ASP HB3 H 3.0170 0.0000 1 217 25 25 ASP CA C 55.1270 0.0000 1 218 25 25 ASP CB C 38.4630 0.0000 1 219 25 25 ASP N N 118.1580 0.0000 1 220 26 26 ARG H H 7.8610 0.0000 1 221 26 26 ARG HA H 4.2810 0.0000 1 222 26 26 ARG HB2 H 1.9680 0.0000 1 223 26 26 ARG HB3 H 1.9680 0.0000 1 224 26 26 ARG HG2 H 1.8210 0.0000 1 225 26 26 ARG HG3 H 1.8390 0.0000 1 226 26 26 ARG HD2 H 3.2370 0.0000 1 227 26 26 ARG HD3 H 3.2370 0.0000 1 228 26 26 ARG CA C 56.7950 0.0000 1 229 26 26 ARG CB C 30.3110 0.0000 1 230 26 26 ARG CG C 27.0540 0.0000 1 231 26 26 ARG CD C 43.2150 0.0000 1 232 26 26 ARG N N 118.9250 0.0000 1 233 27 27 ARG H H 7.8940 0.0000 1 234 27 27 ARG HA H 4.3180 0.0000 1 235 27 27 ARG HB2 H 1.8940 0.0000 1 236 27 27 ARG HB3 H 1.8940 0.0000 1 237 27 27 ARG HG2 H 1.5270 0.0000 1 238 27 27 ARG HG3 H 1.5270 0.0000 1 239 27 27 ARG HD2 H 3.0200 0.0000 1 240 27 27 ARG HD3 H 3.0200 0.0000 1 241 27 27 ARG CA C 56.8520 0.0000 1 242 27 27 ARG CB C 32.9360 0.0000 1 243 27 27 ARG CG C 24.5570 0.0000 1 244 27 27 ARG CD C 42.1300 0.0000 1 245 27 27 ARG N N 120.1130 0.0000 1 246 28 28 LYS H H 7.9400 0.0000 1 247 28 28 LYS HA H 4.2920 0.0000 1 248 28 28 LYS HB2 H 1.9740 0.0000 1 249 28 28 LYS HB3 H 1.9740 0.0000 1 250 28 28 LYS HG2 H 1.7420 0.0000 1 251 28 28 LYS HG3 H 1.7420 0.0000 1 252 28 28 LYS HD2 H 1.8390 0.0000 1 253 28 28 LYS HD3 H 1.8390 0.0000 1 254 28 28 LYS HE2 H 3.2280 0.0000 1 255 28 28 LYS HE3 H 3.2280 0.0000 1 256 28 28 LYS CA C 56.7460 0.0000 1 257 28 28 LYS CB C 30.3110 0.0000 1 258 28 28 LYS CG C 27.0710 0.0000 1 259 28 28 LYS CD C 28.9080 0.0000 1 260 28 28 LYS CE C 43.2150 0.0000 1 261 28 28 LYS N N 118.6050 0.0000 1 262 29 29 LYS H H 7.9060 0.0000 1 263 29 29 LYS HA H 4.3380 0.0000 1 264 29 29 LYS HB2 H 1.8360 0.0000 1 265 29 29 LYS HB3 H 1.9560 0.0000 1 266 29 29 LYS HG2 H 1.5050 0.0000 1 267 29 29 LYS HG3 H 1.6020 0.0000 1 268 29 29 LYS HD2 H 1.7400 0.0000 1 269 29 29 LYS HD3 H 1.7400 0.0000 1 270 29 29 LYS HE2 H 3.0390 0.0000 1 271 29 29 LYS HE3 H 3.0390 0.0000 1 272 29 29 LYS CA C 56.3570 0.0000 1 273 29 29 LYS CB C 32.9720 0.0000 1 274 29 29 LYS CG C 24.7850 0.0000 1 275 29 29 LYS CD C 28.9080 0.0000 1 276 29 29 LYS CE C 42.1300 0.0000 1 277 29 29 LYS N N 123.4450 0.0000 1 stop_ save_