data_18114 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human LL-23 bound to membrane-mimetic micelles ; _BMRB_accession_number 18114 _BMRB_flat_file_name bmr18114.str _Entry_type original _Submission_date 2011-11-30 _Accession_date 2011-11-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Structure, dynamics, antimicrobial and immune modulating activities of LL-23 and its single-residue variants mutated based on homologous primate cathelicidins' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Guangshun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 156 "13C chemical shifts" 59 "15N chemical shifts" 22 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-10 update BMRB 'update entry citation' 2012-01-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure, dynamics, and antimicrobial and immune modulatory activities of human LL-23 and its single-residue variants mutated on the basis of homologous primate cathelicidins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22185690 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Guangshun . . 2 Elliott Melissa . . 3 Cogen Anna L. . 4 Ezell Edward L. . 5 Gallo Richard L. . 6 Hancock Robert E.W. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 653 _Page_last 664 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human LL-23' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human LL-23' $LL23 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_LL23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 2831.435 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; LLGDFFRKSKEKIGKEFKRI VQR ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 LEU 3 GLY 4 ASP 5 PHE 6 PHE 7 ARG 8 LYS 9 SER 10 LYS 11 GLU 12 LYS 13 ILE 14 GLY 15 LYS 16 GLU 17 PHE 18 LYS 19 ARG 20 ILE 21 VAL 22 GLN 23 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15876 LL-37 100.00 37 100.00 100.00 2.72e-05 PDB 2K6O "Human Ll-37 Structure" 100.00 37 100.00 100.00 2.72e-05 PDB 2LMF "Solution Structure Of Human Ll-23 Bound To Membrane-Mimetic Micelles" 100.00 23 100.00 100.00 3.64e-05 DBJ BAJ20821 "cathelicidin antimicrobial peptide [synthetic construct]" 100.00 170 100.00 100.00 2.06e-05 EMBL CAA61805 "CAP-18 protein [Homo sapiens]" 100.00 170 100.00 100.00 2.06e-05 EMBL CAA86115 "FALL-39 peptide antibiotic [Homo sapiens]" 100.00 170 100.00 100.00 1.97e-05 EMBL CAG33364 "CAMP [Homo sapiens]" 100.00 170 100.00 100.00 2.06e-05 EMBL CAG46759 "CAMP [Homo sapiens]" 100.00 170 100.00 100.00 1.97e-05 GB AAA74084 "CAP18 precursor [Homo sapiens]" 100.00 170 100.00 100.00 2.06e-05 GB AAC02634 "antimicrobial protein CAP18 precursor [Homo sapiens]" 100.00 170 100.00 100.00 2.06e-05 GB AAG40802 "cationic antimicrobial protein [Macaca mulatta]" 100.00 170 100.00 100.00 2.06e-05 GB AAH55089 "Cathelicidin antimicrobial peptide [Homo sapiens]" 100.00 170 100.00 100.00 2.06e-05 GB AAN78318 "CAP18 [Homo sapiens]" 100.00 170 100.00 100.00 1.97e-05 REF NP_001065283 "cathelicidin antimicrobial peptide precursor [Pan troglodytes]" 100.00 170 100.00 100.00 2.03e-05 REF NP_004336 "cathelicidin antimicrobial peptide preproprotein [Homo sapiens]" 100.00 173 100.00 100.00 2.05e-05 REF XP_003818474 "PREDICTED: cathelicidin antimicrobial peptide [Pan paniscus]" 100.00 173 100.00 100.00 2.05e-05 SP P49913 "RecName: Full=Cathelicidin antimicrobial peptide; AltName: Full=18 kDa cationic antimicrobial protein; Short=CAP-18; Short=hCAP" 100.00 170 100.00 100.00 2.06e-05 SP Q1KLX1 "RecName: Full=Cathelicidin antimicrobial peptide; Contains: RecName: Full=Antibacterial protein FALL-39; AltName: Full=FALL-39 " 100.00 170 100.00 100.00 2.03e-05 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LL23 human 9606 Eukaryota Metazoa Homo sapiens 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 $LL23 'chemical synthesis' . Escherichia coli . pET-32a+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Saveframe_category sample _Sample_type solution _Details '2 mM peptide and 120 mM dodecylphosphocholine' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LL23 2 mM 'natural abundance' dodecylphosphocholine 120 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 400 _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_3 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_DQF-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H TOCSY' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human LL-23' _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 LEU HA H 4.0677 . 1 2 1 1 LEU HD1 H 0.9895 . . 3 1 1 LEU HD2 H 0.9562 . . 4 1 1 LEU CA C 55.5376 . 1 5 1 1 LEU CD1 C 24.7350 . 2 6 1 1 LEU CD2 C 24.2936 . 2 7 2 2 LEU H H 9.4206 . 1 8 2 2 LEU HA H 4.1527 . 1 9 2 2 LEU HD1 H 0.9178 . . 10 2 2 LEU HD2 H 0.8654 . . 11 2 2 LEU CD1 C 25.2261 . 2 12 2 2 LEU CD2 C 24.2899 . 2 13 3 3 GLY H H 9.0854 . 1 14 3 3 GLY HA2 H 4.0510 . 2 15 3 3 GLY HA3 H 3.8390 . 2 16 3 3 GLY CA C 47.4587 . 1 17 3 3 GLY N N 107.5918 . 1 18 4 4 ASP H H 8.0891 . 1 19 4 4 ASP HA H 4.5385 . 1 20 4 4 ASP HB2 H 2.7210 . . 21 4 4 ASP HB3 H 2.7210 . . 22 4 4 ASP CA C 56.8875 . 1 23 4 4 ASP CB C 41.0141 . 1 24 4 4 ASP N N 121.2750 . 1 25 5 5 PHE H H 8.1883 . 1 26 5 5 PHE HA H 4.1958 . 1 27 5 5 PHE HB2 H 3.3058 . 2 28 5 5 PHE HB3 H 2.9783 . 2 29 5 5 PHE HD1 H 6.9450 . . 30 5 5 PHE HD2 H 6.9450 . . 31 5 5 PHE HE1 H 7.1280 . . 32 5 5 PHE HE2 H 7.1280 . . 33 5 5 PHE HZ H 7.1030 . 1 34 5 5 PHE CA C 61.5221 . 1 35 5 5 PHE CB C 39.1828 . 1 36 5 5 PHE CD1 C 131.5080 . . 37 5 5 PHE CD2 C 131.5080 . . 38 5 5 PHE CE1 C 131.4320 . . 39 5 5 PHE CE2 C 131.4320 . . 40 5 5 PHE CZ C 129.4850 . 1 41 5 5 PHE N N 120.4068 . 1 42 6 6 PHE H H 8.6227 . 1 43 6 6 PHE HA H 4.1010 . 1 44 6 6 PHE HB2 H 3.2445 . 2 45 6 6 PHE HB3 H 3.1670 . 2 46 6 6 PHE HD1 H 7.2700 . . 47 6 6 PHE HD2 H 7.2700 . . 48 6 6 PHE HE1 H 7.2800 . . 49 6 6 PHE HE2 H 7.2800 . . 50 6 6 PHE HZ H 7.1920 . 1 51 6 6 PHE CA C 61.0587 . 1 52 6 6 PHE CB C 39.1982 . 1 53 6 6 PHE CD1 C 131.6894 . . 54 6 6 PHE CD2 C 131.6894 . . 55 6 6 PHE CE1 C 131.0182 . . 56 6 6 PHE CE2 C 131.0182 . . 57 6 6 PHE CZ C 129.4554 . 1 58 6 6 PHE N N 119.7527 . 1 59 7 7 ARG H H 8.2087 . 1 60 7 7 ARG HA H 3.8340 . 1 61 7 7 ARG HB2 H 2.0170 . 2 62 7 7 ARG HB3 H 1.9260 . 2 63 7 7 ARG HG2 H 1.8340 . 2 64 7 7 ARG HG3 H 1.5950 . 2 65 7 7 ARG HD2 H 3.2920 . 2 66 7 7 ARG HD3 H 3.2330 . 2 67 7 7 ARG HE H 7.5365 . 1 68 7 7 ARG CA C 60.2849 . 1 69 7 7 ARG CB C 30.3476 . 1 70 7 7 ARG N N 119.2181 . 1 71 8 8 LYS H H 8.1943 . 1 72 8 8 LYS HA H 4.1180 . 1 73 8 8 LYS HB2 H 1.8360 . . 74 8 8 LYS HB3 H 1.8360 . . 75 8 8 LYS HG2 H 1.5276 . 2 76 8 8 LYS HG3 H 1.4705 . 2 77 8 8 LYS HD2 H 1.6701 . 2 78 8 8 LYS HD3 H 1.6261 . 2 79 8 8 LYS HE2 H 2.9204 . . 80 8 8 LYS HE3 H 2.9204 . . 81 8 8 LYS N N 118.0919 . 1 82 9 9 SER H H 7.9301 . 1 83 9 9 SER HA H 4.1613 . 1 84 9 9 SER HB2 H 3.6703 . 2 85 9 9 SER HB3 H 3.5328 . 2 86 9 9 SER CB C 63.0695 . 1 87 9 9 SER N N 115.7454 . 1 88 10 10 LYS H H 7.9939 . 1 89 10 10 LYS HA H 3.6908 . 1 90 10 10 LYS HB2 H 1.7663 . 2 91 10 10 LYS HB3 H 1.6959 . 2 92 10 10 LYS HG2 H 1.3114 . . 93 10 10 LYS HG3 H 1.3114 . . 94 10 10 LYS HD2 H 1.6053 . . 95 10 10 LYS HD3 H 1.6053 . . 96 10 10 LYS HE2 H 2.8130 . . 97 10 10 LYS HE3 H 2.8130 . . 98 10 10 LYS CA C 60.5066 . 1 99 10 10 LYS N N 121.9657 . 1 100 11 11 GLU H H 8.0011 . 1 101 11 11 GLU HA H 4.0392 . 1 102 11 11 GLU HB2 H 2.0819 . . 103 11 11 GLU HB3 H 2.0819 . . 104 11 11 GLU HG2 H 2.3711 . 2 105 11 11 GLU HG3 H 2.2106 . 2 106 11 11 GLU CA C 59.2531 . 1 107 11 11 GLU CB C 29.1671 . 1 108 11 11 GLU CG C 36.3419 . 1 109 11 11 GLU N N 118.7962 . 1 110 12 12 LYS H H 7.8734 . 1 111 12 12 LYS HA H 4.1135 . 1 112 12 12 LYS HD2 H 1.7262 . . 113 12 12 LYS HD3 H 1.7262 . . 114 12 12 LYS HE2 H 2.8820 . . 115 12 12 LYS HE3 H 2.8820 . . 116 12 12 LYS CA C 58.7765 . 1 117 12 12 LYS N N 119.5131 . 1 118 13 13 ILE H H 8.3312 . 1 119 13 13 ILE HA H 3.6817 . 1 120 13 13 ILE HB H 1.8468 . 1 121 13 13 ILE HG13 H 1.0197 . 2 122 13 13 ILE HG2 H 0.8592 . . 123 13 13 ILE HD1 H 0.7916 . . 124 13 13 ILE CA C 65.0969 . 1 125 13 13 ILE CB C 38.2487 . 1 126 13 13 ILE CG2 C 17.7850 . 1 127 13 13 ILE CD1 C 13.6885 . 1 128 13 13 ILE N N 118.3381 . 1 129 14 14 GLY H H 8.3931 . 1 130 14 14 GLY HA2 H 4.0160 . 2 131 14 14 GLY HA3 H 3.7405 . 2 132 14 14 GLY CA C 47.6147 . 1 133 14 14 GLY N N 106.7881 . 1 134 15 15 LYS H H 7.8926 . 1 135 15 15 LYS HA H 4.0775 . 1 136 15 15 LYS HG2 H 1.3033 . . 137 15 15 LYS HG3 H 1.3033 . . 138 15 15 LYS HD2 H 1.5932 . . 139 15 15 LYS HD3 H 1.5932 . . 140 15 15 LYS HE2 H 2.7785 . . 141 15 15 LYS HE3 H 2.7785 . . 142 15 15 LYS CA C 59.6878 . 1 143 15 15 LYS N N 120.5390 . 1 144 16 16 GLU H H 8.0168 . 1 145 16 16 GLU HA H 4.4138 . 1 146 16 16 GLU HB2 H 2.0973 . 2 147 16 16 GLU HB3 H 2.0261 . 2 148 16 16 GLU HG2 H 2.4677 . 2 149 16 16 GLU HG3 H 2.2264 . 2 150 16 16 GLU CA C 57.8684 . 1 151 16 16 GLU CB C 28.9907 . 1 152 16 16 GLU CG C 34.8589 . 1 153 16 16 GLU N N 118.9794 . 1 154 17 17 PHE H H 8.6395 . 1 155 17 17 PHE HA H 4.1660 . 1 156 17 17 PHE HB2 H 3.2428 . 2 157 17 17 PHE HB3 H 3.1547 . 2 158 17 17 PHE HD1 H 7.1380 . . 159 17 17 PHE HD2 H 7.1380 . . 160 17 17 PHE HE1 H 7.1850 . . 161 17 17 PHE HE2 H 7.1850 . . 162 17 17 PHE HZ H 7.1330 . 1 163 17 17 PHE CA C 61.5590 . 1 164 17 17 PHE CB C 39.1964 . 1 165 17 17 PHE CD1 C 132.3999 . . 166 17 17 PHE CD2 C 132.3999 . . 167 17 17 PHE CE1 C 131.0146 . . 168 17 17 PHE CE2 C 131.0146 . . 169 17 17 PHE CZ C 129.3836 . 1 170 17 17 PHE N N 119.5658 . 1 171 18 18 LYS H H 7.9205 . 1 172 18 18 LYS HA H 3.8714 . 1 173 18 18 LYS HB2 H 1.8929 . . 174 18 18 LYS HB3 H 1.8929 . . 175 18 18 LYS HG2 H 1.4703 . . 176 18 18 LYS HG3 H 1.4703 . . 177 18 18 LYS HD2 H 1.6974 . . 178 18 18 LYS HD3 H 1.6974 . . 179 18 18 LYS HE2 H 2.9496 . . 180 18 18 LYS HE3 H 2.9496 . . 181 18 18 LYS CA C 59.2382 . 1 182 18 18 LYS N N 116.8608 . 1 183 19 19 ARG H H 7.6175 . 1 184 19 19 ARG HA H 4.0680 . 1 185 19 19 ARG HB2 H 1.7130 . . 186 19 19 ARG HB3 H 1.7130 . . 187 19 19 ARG HG2 H 1.5670 . . 188 19 19 ARG HG3 H 1.5670 . . 189 19 19 ARG HD2 H 3.3050 . 2 190 19 19 ARG HD3 H 3.1520 . 2 191 19 19 ARG HE H 7.8124 . 1 192 19 19 ARG CA C 58.7283 . 1 193 19 19 ARG N N 117.5270 . 1 194 20 20 ILE H H 7.8473 . 1 195 20 20 ILE HA H 3.8317 . 1 196 20 20 ILE HB H 1.8595 . 1 197 20 20 ILE HG13 H 1.2057 . 2 198 20 20 ILE HG2 H 0.8640 . . 199 20 20 ILE HD1 H 0.8390 . . 200 20 20 ILE CA C 51.0749 . 1 201 20 20 ILE CD1 C 13.7438 . 1 202 20 20 ILE N N 117.2802 . 1 203 21 21 VAL H H 7.6387 . 1 204 21 21 VAL HA H 3.9990 . 1 205 21 21 VAL HB H 1.9615 . 1 206 21 21 VAL HG1 H 0.7040 . . 207 21 21 VAL HG2 H 0.7040 . . 208 21 21 VAL CA C 62.8831 . 1 209 21 21 VAL CB C 31.7946 . 1 210 21 21 VAL CG1 C 21.0827 . . 211 21 21 VAL CG2 C 21.0827 . . 212 21 21 VAL N N 114.4173 . 1 213 22 22 GLN H H 7.6635 . 1 214 22 22 GLN HA H 4.2246 . 1 215 22 22 GLN HB2 H 2.1052 . 2 216 22 22 GLN HB3 H 2.0556 . 2 217 22 22 GLN HG2 H 2.3303 . . 218 22 22 GLN HG3 H 2.3303 . . 219 22 22 GLN HE21 H 6.8230 . 2 220 22 22 GLN HE22 H 7.6270 . 2 221 22 22 GLN CA C 56.2345 . 1 222 22 22 GLN CB C 28.9436 . 1 223 22 22 GLN CG C 34.1685 . 1 224 22 22 GLN N N 120.3855 . 1 225 22 22 GLN NE2 N 112.2475 . . 226 23 23 ARG H H 7.7491 . 1 227 23 23 ARG HA H 4.1255 . 1 228 23 23 ARG HB2 H 1.8650 . 2 229 23 23 ARG HB3 H 1.6890 . 2 230 23 23 ARG HG2 H 1.5990 . . 231 23 23 ARG HG3 H 1.5990 . . 232 23 23 ARG HD2 H 3.1785 . . 233 23 23 ARG HD3 H 3.1785 . . 234 23 23 ARG HE H 7.3681 . 1 235 23 23 ARG CA C 57.4412 . 1 236 23 23 ARG CB C 31.5083 . 1 237 23 23 ARG N N 126.5812 . 1 stop_ save_