data_4561 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Imperatoxin A (IpTxa) from the scorpion P. imperator Determined by 1H-NMR Spectroscopy ; _BMRB_accession_number 4561 _BMRB_flat_file_name bmr4561.str _Entry_type original _Submission_date 1999-12-14 _Accession_date 1999-12-15 _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 Hemmi Hikaru . . 2 Sreekumar Raghava . . 3 Walker Jeffery W. . 4 Valdivia Hector H. . 5 Markley John L. . 6 Westler William M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 210 "13C chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-01-23 original author . stop_ _Original_release_date 2006-01-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of Imperatoxin A (IpTxa) from the scorpion P. imperator Determined by 1H-NMR Spectroscopy ; _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 Hemmi Hikaru . . 2 Sreekumar Raghava . . 3 Walker Jeffery W. . 4 Valdivia Hector H. . 5 Markley John L. . 6 Westler William M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume . _Journal_issue . _Journal_CSD . _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_system_IpTxa _Saveframe_category molecular_system _Mol_system_name Imperatoxin _Abbreviation_common IpTxa _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IpTxa $IpTxa stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IpTxa _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Imperatoxin _Abbreviation_common IpTxa _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 33 _Mol_residue_sequence ; GDCLPHLKRCKADNDCCGKK CKRRGTNAEKRCR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 CYS 4 LEU 5 PRO 6 HIS 7 LEU 8 LYS 9 ARG 10 CYS 11 LYS 12 ALA 13 ASP 14 ASN 15 ASP 16 CYS 17 CYS 18 GLY 19 LYS 20 LYS 21 CYS 22 LYS 23 ARG 24 ARG 25 GLY 26 THR 27 ASN 28 ALA 29 GLU 30 LYS 31 ARG 32 CYS 33 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-29 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 PDB 1IE6 "Solution Structure Of Imperatoxin A" 100.00 33 100.00 100.00 1.39e-12 SP P59868 "RecName: Full=Imperatoxin-A; Short=IpTxa; AltName: Full=Imperatoxin activator" 100.00 33 100.00 100.00 1.39e-12 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IpTxa 'Pandinus imperator' 55084 Eukaryota Metazoa Pandinus imperator 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 $IpTxa 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IpTxa 4.0 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . loop_ _Task processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'peak assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label . save_ save_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_E-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _Sample_label . save_ save_ROESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name ROESY _Sample_label . save_ save_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_1H-13C_HSQCTOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQCTOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name ROESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQCTOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.6 0.1 pH temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name IpTxa _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 GLY HA2 H 3.89 . 1 2 . 1 GLY HA3 H 3.89 . 1 3 . 1 GLY CA C 43.37 . 1 4 . 2 ASP H H 8.80 . 1 5 . 2 ASP HA H 4.87 . 1 6 . 2 ASP HB2 H 2.85 . 1 7 . 2 ASP HB3 H 2.96 . 1 8 . 2 ASP CA C 52.71 . 1 9 . 2 ASP CB C 38.77 . 1 10 . 3 CYS H H 8.31 . 1 11 . 3 CYS HA H 4.76 . 1 12 . 3 CYS HB2 H 2.93 . 1 13 . 3 CYS HB3 H 3.20 . 1 14 . 3 CYS CA C 52.51 . 1 15 . 3 CYS CB C 41.72 . 1 16 . 4 LEU H H 9.24 . 1 17 . 4 LEU HA H 4.87 . 1 18 . 4 LEU HB2 H 2.21 . 1 19 . 4 LEU HB3 H 1.36 . 1 20 . 4 LEU HG H 1.88 . 1 21 . 4 LEU HD1 H 0.96 . 2 22 . 4 LEU HD2 H 0.99 . 2 23 . 4 LEU CA C 52.95 . 1 24 . 4 LEU CB C 43.51 . 1 25 . 4 LEU CG C 26.42 . 1 26 . 4 LEU CD1 C 22.61 . 2 27 . 4 LEU CD2 C 26.40 . 2 28 . 5 PRO HA H 4.58 . 1 29 . 5 PRO HB2 H 2.19 . 2 30 . 5 PRO HB3 H 2.37 . 2 31 . 5 PRO HG2 H 1.86 . 2 32 . 5 PRO HG3 H 2.18 . 2 33 . 5 PRO HD2 H 3.66 . 2 34 . 5 PRO HD3 H 4.01 . 2 35 . 5 PRO CA C 61.80 . 1 36 . 5 PRO CB C 33.73 . 1 37 . 5 PRO CG C 26.87 . 1 38 . 5 PRO CD C 51.42 . 1 39 . 6 HIS H H 8.19 . 1 40 . 6 HIS HA H 4.09 . 1 41 . 6 HIS HB2 H 3.13 . 2 42 . 6 HIS HB3 H 3.25 . 2 43 . 6 HIS HD2 H 7.39 . 1 44 . 6 HIS HE1 H 8.74 . 1 45 . 6 HIS CA C 57.22 . 1 46 . 6 HIS CB C 29.28 . 1 47 . 7 LEU H H 9.51 . 1 48 . 7 LEU HA H 3.55 . 1 49 . 7 LEU HB2 H 2.03 . 1 50 . 7 LEU HB3 H 1.59 . 1 51 . 7 LEU HG H 0.50 . 1 52 . 7 LEU HD1 H 0.66 . 2 53 . 7 LEU HD2 H 0.77 . 2 54 . 7 LEU CA C 57.52 . 1 55 . 7 LEU CB C 39.15 . 1 56 . 7 LEU CG C 26.88 . 1 57 . 7 LEU CD1 C 22.35 . 2 58 . 7 LEU CD2 C 25.00 . 2 59 . 8 LYS H H 7.48 . 1 60 . 8 LYS HA H 4.35 . 1 61 . 8 LYS HB2 H 1.86 . 2 62 . 8 LYS HB3 H 1.93 . 2 63 . 8 LYS HG2 H 1.45 . 2 64 . 8 LYS HG3 H 1.58 . 2 65 . 8 LYS HD2 H 1.74 . 1 66 . 8 LYS HD3 H 1.74 . 1 67 . 8 LYS HE2 H 2.97 . 2 68 . 8 LYS HE3 H 3.03 . 2 69 . 8 LYS HZ H 7.65 . 1 70 . 8 LYS CA C 55.18 . 1 71 . 8 LYS CB C 32.84 . 1 72 . 8 LYS CG C 25.12 . 1 73 . 8 LYS CD C 28.17 . 1 74 . 8 LYS CE C 42.34 . 1 75 . 9 ARG H H 8.54 . 1 76 . 9 ARG HA H 4.63 . 1 77 . 9 ARG HB2 H 1.85 . 1 78 . 9 ARG HB3 H 1.93 . 1 79 . 9 ARG HG2 H 1.53 . 2 80 . 9 ARG HG3 H 1.87 . 2 81 . 9 ARG HD2 H 3.18 . 1 82 . 9 ARG HD3 H 3.18 . 1 83 . 9 ARG HE H 7.31 . 1 84 . 9 ARG CA C 57.31 . 1 85 . 9 ARG CB C 30.41 . 1 86 . 9 ARG CG C 27.80 . 1 87 . 9 ARG CD C 43.52 . 1 88 . 10 CYS H H 7.77 . 1 89 . 10 CYS HA H 4.94 . 1 90 . 10 CYS HB2 H 3.08 . 2 91 . 10 CYS HB3 H 3.15 . 2 92 . 10 CYS CA C 53.17 . 1 93 . 10 CYS CB C 48.78 . 1 94 . 11 LYS H H 8.76 . 1 95 . 11 LYS HA H 4.40 . 1 96 . 11 LYS HB2 H 1.84 . 1 97 . 11 LYS HB3 H 1.84 . 1 98 . 11 LYS HG2 H 1.30 . 2 99 . 11 LYS HG3 H 1.41 . 2 100 . 11 LYS HD2 H 1.69 . 1 101 . 11 LYS HD3 H 1.69 . 1 102 . 11 LYS HE2 H 2.98 . 1 103 . 11 LYS HE3 H 2.98 . 1 104 . 11 LYS HZ H 7.53 . 1 105 . 11 LYS CA C 56.93 . 1 106 . 11 LYS CB C 34.44 . 1 107 . 11 LYS CG C 25.35 . 1 108 . 11 LYS CD C 29.22 . 1 109 . 11 LYS CE C 42.03 . 1 110 . 12 ALA H H 7.88 . 1 111 . 12 ALA HA H 4.60 . 1 112 . 12 ALA HB H 1.39 . 1 113 . 12 ALA CA C 50.55 . 1 114 . 12 ALA CB C 22.18 . 1 115 . 13 ASP H H 8.94 . 1 116 . 13 ASP HA H 3.96 . 1 117 . 13 ASP HB2 H 2.66 . 1 118 . 13 ASP HB3 H 2.79 . 1 119 . 13 ASP CA C 58.40 . 1 120 . 13 ASP CB C 39.65 . 1 121 . 14 ASN H H 8.58 . 1 122 . 14 ASN HA H 4.43 . 1 123 . 14 ASN HB2 H 2.83 . 1 124 . 14 ASN HB3 H 2.83 . 1 125 . 14 ASN HD21 H 6.87 . 4 126 . 14 ASN HD22 H 7.58 . 4 127 . 14 ASN CA C 55.00 . 1 128 . 14 ASN CB C 37.48 . 1 129 . 15 ASP H H 7.89 . 1 130 . 15 ASP HA H 4.49 . 1 131 . 15 ASP HB2 H 3.08 . 1 132 . 15 ASP HB3 H 2.99 . 1 133 . 15 ASP CA C 56.00 . 1 134 . 15 ASP CB C 41.62 . 1 135 . 16 CYS H H 7.85 . 1 136 . 16 CYS HA H 4.99 . 1 137 . 16 CYS HB2 H 2.76 . 1 138 . 16 CYS HB3 H 3.50 . 1 139 . 16 CYS CA C 54.70 . 1 140 . 16 CYS CB C 39.88 . 1 141 . 17 CYS H H 10.18 . 1 142 . 17 CYS HA H 4.53 . 1 143 . 17 CYS HB2 H 2.75 . 1 144 . 17 CYS HB3 H 3.23 . 1 145 . 17 CYS CA C 57.52 . 1 146 . 17 CYS CB C 38.19 . 1 147 . 18 GLY H H 9.13 . 1 148 . 18 GLY HA2 H 3.76 . 2 149 . 18 GLY HA3 H 4.17 . 2 150 . 18 GLY CA C 45.63 . 1 151 . 19 LYS H H 7.43 . 1 152 . 19 LYS HA H 4.20 . 1 153 . 19 LYS HB2 H 1.99 . 1 154 . 19 LYS HB3 H 1.99 . 1 155 . 19 LYS HG2 H 1.29 . 1 156 . 19 LYS HG3 H 1.29 . 1 157 . 19 LYS HD2 H 1.62 . 2 158 . 19 LYS HD3 H 1.82 . 2 159 . 19 LYS HE2 H 3.06 . 1 160 . 19 LYS HE3 H 3.06 . 1 161 . 19 LYS HZ H 7.54 . 1 162 . 19 LYS CA C 56.88 . 1 163 . 19 LYS CB C 29.95 . 1 164 . 19 LYS CG C 25.50 . 1 165 . 19 LYS CD C 28.86 . 1 166 . 19 LYS CE C 42.64 . 1 167 . 20 LYS H H 7.82 . 1 168 . 20 LYS HA H 4.55 . 1 169 . 20 LYS HB2 H 1.45 . 2 170 . 20 LYS HB3 H 1.77 . 2 171 . 20 LYS HG2 H 1.28 . 2 172 . 20 LYS HG3 H 1.39 . 2 173 . 20 LYS HD2 H 1.56 . 1 174 . 20 LYS HD3 H 1.56 . 1 175 . 20 LYS HE2 H 2.96 . 1 176 . 20 LYS HE3 H 2.96 . 1 177 . 20 LYS HZ H 7.54 . 1 178 . 20 LYS CA C 54.89 . 1 179 . 20 LYS CB C 34.64 . 1 180 . 20 LYS CG C 24.12 . 1 181 . 20 LYS CD C 29.28 . 1 182 . 20 LYS CE C 42.11 . 1 183 . 21 CYS H H 9.23 . 1 184 . 21 CYS HA H 4.98 . 1 185 . 21 CYS HB2 H 2.94 . 1 186 . 21 CYS HB3 H 2.81 . 1 187 . 21 CYS CA C 55.35 . 1 188 . 21 CYS CB C 39.41 . 1 189 . 22 LYS H H 8.34 . 1 190 . 22 LYS HA H 4.99 . 1 191 . 22 LYS HB2 H 1.64 . 1 192 . 22 LYS HB3 H 1.97 . 1 193 . 22 LYS HG2 H 1.32 . 2 194 . 22 LYS HG3 H 1.39 . 2 195 . 22 LYS HD2 H 1.67 . 2 196 . 22 LYS HD3 H 1.74 . 2 197 . 22 LYS HE2 H 2.92 . 2 198 . 22 LYS HE3 H 3.01 . 2 199 . 22 LYS HZ H 7.52 . 1 200 . 22 LYS CA C 54.41 . 1 201 . 22 LYS CB C 37.86 . 1 202 . 22 LYS CG C 24.53 . 1 203 . 22 LYS CD C 28.98 . 1 204 . 22 LYS CE C 42.11 . 1 205 . 23 ARG H H 9.09 . 1 206 . 23 ARG HA H 4.61 . 1 207 . 23 ARG HB2 H 1.73 . 1 208 . 23 ARG HB3 H 1.73 . 1 209 . 23 ARG HG2 H 1.52 . 1 210 . 23 ARG HG3 H 1.52 . 1 211 . 23 ARG HD2 H 3.17 . 1 212 . 23 ARG HD3 H 3.17 . 1 213 . 23 ARG HE H 7.01 . 1 214 . 23 ARG CA C 55.64 . 1 215 . 23 ARG CB C 31.69 . 1 216 . 23 ARG CG C 26.99 . 1 217 . 23 ARG CD C 43.81 . 1 218 . 24 ARG H H 8.66 . 1 219 . 24 ARG HA H 4.49 . 1 220 . 24 ARG HB2 H 1.58 . 2 221 . 24 ARG HB3 H 1.77 . 2 222 . 24 ARG HG2 H 1.61 . 1 223 . 24 ARG HG3 H 1.61 . 1 224 . 24 ARG HD2 H 3.14 . 1 225 . 24 ARG HD3 H 3.14 . 1 226 . 24 ARG HE H 7.24 . 1 227 . 24 ARG CA C 55.70 . 1 228 . 24 ARG CB C 31.98 . 1 229 . 24 ARG CG C 27.17 . 1 230 . 24 ARG CD C 43.34 . 1 231 . 25 GLY H H 8.56 . 1 232 . 25 GLY HA2 H 3.88 . 2 233 . 25 GLY HA3 H 4.16 . 2 234 . 25 GLY CA C 45.51 . 1 235 . 26 THR H H 8.49 . 1 236 . 26 THR HA H 4.15 . 1 237 . 26 THR HB H 4.36 . 1 238 . 26 THR HG2 H 1.22 . 1 239 . 26 THR CA C 62.85 . 1 240 . 26 THR CB C 68.79 . 1 241 . 26 THR CG2 C 21.66 . 1 242 . 27 ASN H H 8.18 . 1 243 . 27 ASN HA H 4.64 . 1 244 . 27 ASN HB2 H 2.90 . 1 245 . 27 ASN HB3 H 2.93 . 1 246 . 27 ASN HD21 H 6.96 . 2 247 . 27 ASN HD22 H 7.68 . 2 248 . 27 ASN CA C 53.71 . 1 249 . 27 ASN CB C 39.23 . 1 250 . 28 ALA H H 8.33 . 1 251 . 28 ALA HA H 4.16 . 1 252 . 28 ALA HB H 1.42 . 1 253 . 28 ALA CA C 53.01 . 1 254 . 28 ALA CB C 19.84 . 1 255 . 29 GLU H H 8.18 . 1 256 . 29 GLU HA H 4.23 . 1 257 . 29 GLU HB2 H 2.01 . 1 258 . 29 GLU HB3 H 1.91 . 1 259 . 29 GLU HG2 H 2.34 . 2 260 . 29 GLU HG3 H 2.43 . 2 261 . 29 GLU CA C 56.06 . 1 262 . 29 GLU CB C 29.21 . 1 263 . 29 GLU CG C 33.61 . 1 264 . 30 LYS H H 8.61 . 1 265 . 30 LYS HA H 4.02 . 1 266 . 30 LYS HB2 H 1.70 . 1 267 . 30 LYS HB3 H 1.89 . 1 268 . 30 LYS HG2 H 1.08 . 2 269 . 30 LYS HG3 H 1.59 . 2 270 . 30 LYS HD2 H 1.60 . 1 271 . 30 LYS HD3 H 1.60 . 1 272 . 30 LYS HE2 H 2.90 . 1 273 . 30 LYS HE3 H 2.90 . 1 274 . 30 LYS HZ H 7.55 . 1 275 . 30 LYS CA C 57.40 . 1 276 . 30 LYS CB C 33.61 . 1 277 . 30 LYS CG C 26.64 . 1 278 . 30 LYS CD C 29.80 . 1 279 . 30 LYS CE C 42.13 . 1 280 . 31 ARG H H 7.92 . 1 281 . 31 ARG HA H 5.19 . 1 282 . 31 ARG HB2 H 1.20 . 2 283 . 31 ARG HB3 H 1.29 . 2 284 . 31 ARG HG2 H 1.32 . 2 285 . 31 ARG HG3 H 1.42 . 2 286 . 31 ARG HD2 H 2.94 . 2 287 . 31 ARG HD3 H 3.11 . 2 288 . 31 ARG HE H 7.34 . 1 289 . 31 ARG CA C 54.45 . 1 290 . 31 ARG CB C 36.20 . 1 291 . 31 ARG CG C 28.81 . 1 292 . 31 ARG CD C 43.38 . 1 293 . 32 CYS H H 8.65 . 1 294 . 32 CYS HA H 5.21 . 1 295 . 32 CYS HB2 H 2.92 . 1 296 . 32 CYS HB3 H 3.45 . 1 297 . 32 CYS CA C 54.13 . 1 298 . 32 CYS CB C 37.08 . 1 299 . 33 ARG H H 9.07 . 1 300 . 33 ARG HA H 4.40 . 1 301 . 33 ARG HB2 H 1.70 . 1 302 . 33 ARG HB3 H 2.06 . 1 303 . 33 ARG HG2 H 1.70 . 2 304 . 33 ARG HG3 H 1.85 . 2 305 . 33 ARG HD2 H 2.96 . 2 306 . 33 ARG HD3 H 3.10 . 2 307 . 33 ARG HE H 6.79 . 1 308 . 33 ARG CA C 56.17 . 1 309 . 33 ARG CB C 31.21 . 1 310 . 33 ARG CG C 27.23 . 1 311 . 33 ARG CD C 42.81 . 1 stop_ save_