data_18019 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; High-resolution solution structure of the orally active insecticidal spider venom peptide U1-TRTX-Sp1a ; _BMRB_accession_number 18019 _BMRB_flat_file_name bmr18019.str _Entry_type original _Submission_date 2011-10-24 _Accession_date 2011-10-24 _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 Hardy Margaret C. . 2 Daly Norelle L. . 3 Mobli Mehdi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 188 "13C chemical shifts" 56 "15N chemical shifts" 26 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-24 update author 'update entry authors' 2012-10-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'High-resolution solution structure of the orally active insecticidal spider venom peptide U1-TRTX-Sp1a' _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 Hardy Margaret C. . 2 Daly Norelle L. . 3 Mobli Mehdi . . 4 King Glenn F. . stop_ _Journal_abbreviation 'Not known' _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_assembly _Saveframe_category molecular_system _Mol_system_name U1-TRTX-Sp1a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label U1-TRTX-Sp1a $U1-TRTX-Sp1a 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_U1-TRTX-Sp1a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common U1-TRTX-Sp1a _Molecular_mass 3732.358 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 33 _Mol_residue_sequence ; DCGHLHDPCPNDRPGHRTCC IGLQCRYGKCLVR ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 CYS 3 GLY 4 HIS 5 LEU 6 HIS 7 ASP 8 PRO 9 CYS 10 PRO 11 ASN 12 ASP 13 ARG 14 PRO 15 GLY 16 HIS 17 ARG 18 THR 19 CYS 20 CYS 21 ILE 22 GLY 23 LEU 24 GLN 25 CYS 26 ARG 27 TYR 28 GLY 29 LYS 30 CYS 31 LEU 32 VAL 33 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 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 2LL1 "High-Resolution Solution Structure Of The Orally Active Insecticidal Spider Venom Peptide U1-Trtx-Sp1a" 100.00 33 100.00 100.00 2.84e-14 SP K7N5K9 "RecName: Full=U1-TRTX-Sp1a; AltName: Full=Orally active insecticidal peptide 1; Short=OAIP-1; Flags: Precursor [Selenotypus plu" 100.00 94 100.00 100.00 1.13e-15 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide U1-TRTX-Sp1a 2 CYS SG U1-TRTX-Sp1a 20 CYS SG single disulfide U1-TRTX-Sp1a 9 CYS SG U1-TRTX-Sp1a 25 CYS SG single disulfide U1-TRTX-Sp1a 19 CYS SG U1-TRTX-Sp1a 30 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $U1-TRTX-Sp1a 'Australian Featherleg' . Eukaryota Metazoa Selenotypus plumipes 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 $U1-TRTX-Sp1a '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 $U1-TRTX-Sp1a 700 uM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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 temperature 298 . K pH 5.85 . pH pressure 1 . atm 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 water H 1 protons ppm 4.773 internal direct . . . 1.0 water C 13 protons ppm 4.773 internal indirect . . . 0.251 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-13C HSQC' '2D 1H-1H TOCSY' '2D DQF-COSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name U1-TRTX-Sp1a _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 ASP HA H 4.418 0.02 1 2 1 1 ASP HB2 H 2.840 0.02 2 3 1 1 ASP HB3 H 2.935 0.02 2 4 1 1 ASP CA C 52.647 0.2 1 5 1 1 ASP CB C 40.206 0.2 1 6 2 2 CYS H H 8.734 0.02 1 7 2 2 CYS HA H 4.868 0.02 1 8 2 2 CYS HB2 H 3.017 0.02 2 9 2 2 CYS HB3 H 2.959 0.02 2 10 2 2 CYS CA C 53.969 0.2 1 11 2 2 CYS N N 117.089 0.2 1 12 3 3 GLY H H 9.036 0.02 1 13 3 3 GLY HA2 H 4.158 0.02 2 14 3 3 GLY HA3 H 4.042 0.02 2 15 3 3 GLY CA C 46.423 0.2 1 16 3 3 GLY N N 106.623 0.2 1 17 4 4 HIS H H 9.430 0.02 1 18 4 4 HIS HA H 4.329 0.02 1 19 4 4 HIS HD2 H 7.445 0.02 1 20 4 4 HIS HE1 H 8.678 0.02 1 21 4 4 HIS CA C 54.417 0.2 1 22 4 4 HIS CB C 28.913 0.2 1 23 4 4 HIS N N 126.621 0.2 1 24 5 5 LEU H H 8.382 0.02 1 25 5 5 LEU HA H 3.750 0.02 1 26 5 5 LEU HB2 H 1.320 0.02 2 27 5 5 LEU HB3 H 1.546 0.02 2 28 5 5 LEU HG H 0.433 0.02 1 29 5 5 LEU HD1 H 0.778 0.02 2 30 5 5 LEU HD2 H 0.921 0.02 2 31 5 5 LEU CA C 57.547 0.2 1 32 5 5 LEU CB C 41.455 0.2 1 33 5 5 LEU N N 121.401 0.2 1 34 6 6 HIS H H 9.611 0.02 1 35 6 6 HIS HA H 3.952 0.02 1 36 6 6 HIS HB2 H 3.955 0.02 2 37 6 6 HIS HB3 H 3.518 0.02 2 38 6 6 HIS HD2 H 7.174 0.02 1 39 6 6 HIS HE1 H 8.702 0.02 1 40 6 6 HIS CA C 58.529 0.2 1 41 6 6 HIS CB C 26.798 0.2 1 42 6 6 HIS N N 116.370 0.2 1 43 7 7 ASP H H 8.793 0.02 1 44 7 7 ASP HA H 4.954 0.02 1 45 7 7 ASP HB2 H 2.922 0.02 2 46 7 7 ASP HB3 H 2.672 0.02 2 47 7 7 ASP CA C 53.346 0.2 1 48 8 8 PRO HA H 4.930 0.02 1 49 8 8 PRO HB2 H 1.917 0.02 2 50 8 8 PRO HB3 H 2.449 0.02 2 51 8 8 PRO HG2 H 2.068 0.02 2 52 8 8 PRO HG3 H 2.164 0.02 2 53 8 8 PRO HD2 H 4.033 0.02 2 54 8 8 PRO HD3 H 3.647 0.02 2 55 8 8 PRO CA C 62.382 0.2 1 56 8 8 PRO CB C 33.046 0.2 1 57 8 8 PRO CD C 50.455 0.2 1 58 9 9 CYS H H 8.235 0.02 1 59 9 9 CYS HA H 5.206 0.02 1 60 9 9 CYS HB2 H 2.995 0.02 2 61 9 9 CYS HB3 H 3.154 0.02 2 62 9 9 CYS CA C 54.550 0.2 1 63 9 9 CYS CB C 43.049 0.2 1 64 9 9 CYS N N 116.579 0.2 1 65 10 10 PRO HA H 4.398 0.02 1 66 10 10 PRO HB2 H 1.942 0.02 2 67 10 10 PRO HB3 H 2.282 0.02 2 68 10 10 PRO HG2 H 1.818 0.02 2 69 10 10 PRO HG3 H 2.054 0.02 2 70 10 10 PRO HD2 H 3.480 0.02 2 71 10 10 PRO HD3 H 3.508 0.02 2 72 10 10 PRO CA C 64.717 0.2 1 73 10 10 PRO CB C 31.881 0.2 1 74 10 10 PRO CD C 50.814 0.2 1 75 11 11 ASN H H 8.901 0.02 1 76 11 11 ASN HA H 4.934 0.02 1 77 11 11 ASN HB2 H 2.673 0.02 2 78 11 11 ASN HB3 H 2.983 0.02 2 79 11 11 ASN HD21 H 7.010 0.02 2 80 11 11 ASN HD22 H 7.520 0.02 2 81 11 11 ASN CA C 52.383 0.2 1 82 11 11 ASN CB C 38.969 0.2 1 83 11 11 ASN N N 116.436 0.2 1 84 12 12 ASP H H 7.045 0.02 1 85 12 12 ASP HA H 5.010 0.02 1 86 12 12 ASP HB2 H 2.968 0.02 2 87 12 12 ASP HB3 H 2.889 0.02 2 88 12 12 ASP CA C 55.285 0.2 1 89 12 12 ASP CB C 44.965 0.2 1 90 12 12 ASP N N 121.980 0.2 1 91 13 13 ARG H H 8.214 0.02 1 92 13 13 ARG HA H 4.837 0.02 1 93 13 13 ARG HB2 H 1.727 0.02 2 94 13 13 ARG HB3 H 1.984 0.02 2 95 13 13 ARG HG2 H 1.403 0.02 2 96 13 13 ARG HG3 H 1.403 0.02 2 97 13 13 ARG HD2 H 3.148 0.02 2 98 13 13 ARG HD3 H 3.201 0.02 2 99 13 13 ARG HE H 7.185 0.02 1 100 13 13 ARG N N 124.183 0.2 1 101 14 14 PRO HA H 4.207 0.02 1 102 14 14 PRO HB2 H 1.881 0.02 2 103 14 14 PRO HB3 H 2.317 0.02 2 104 14 14 PRO HG2 H 1.986 0.02 2 105 14 14 PRO HG3 H 2.176 0.02 2 106 14 14 PRO HD2 H 3.792 0.02 2 107 14 14 PRO HD3 H 3.622 0.02 2 108 14 14 PRO CA C 64.848 0.2 1 109 14 14 PRO CB C 31.028 0.2 1 110 14 14 PRO CD C 50.370 0.2 1 111 15 15 GLY H H 8.932 0.02 1 112 15 15 GLY HA2 H 4.169 0.02 2 113 15 15 GLY HA3 H 3.734 0.02 2 114 15 15 GLY CA C 45.236 0.2 1 115 15 15 GLY N N 113.652 0.2 1 116 16 16 HIS H H 8.764 0.02 1 117 16 16 HIS HA H 4.639 0.02 1 118 16 16 HIS HB2 H 3.120 0.02 2 119 16 16 HIS HB3 H 2.891 0.02 2 120 16 16 HIS HD2 H 7.290 0.02 1 121 16 16 HIS HE1 H 8.489 0.02 1 122 16 16 HIS CA C 55.195 0.2 1 123 16 16 HIS CB C 28.287 0.2 1 124 17 17 ARG H H 8.632 0.02 1 125 17 17 ARG HA H 4.728 0.02 1 126 17 17 ARG HB2 H 1.898 0.02 2 127 17 17 ARG HB3 H 1.898 0.02 2 128 17 17 ARG HG2 H 1.763 0.02 2 129 17 17 ARG HG3 H 1.705 0.02 2 130 17 17 ARG HD2 H 3.185 0.02 2 131 17 17 ARG HD3 H 3.134 0.02 2 132 17 17 ARG HE H 7.184 0.02 1 133 17 17 ARG N N 123.881 0.2 1 134 18 18 THR H H 9.527 0.02 1 135 18 18 THR HA H 4.496 0.02 1 136 18 18 THR HB H 4.366 0.02 1 137 18 18 THR HG2 H 0.927 0.02 1 138 18 18 THR CA C 62.491 0.2 1 139 18 18 THR N N 114.176 0.2 1 140 19 19 CYS H H 8.132 0.02 1 141 19 19 CYS HA H 4.719 0.02 1 142 19 19 CYS HB2 H 2.892 0.02 2 143 19 19 CYS HB3 H 2.718 0.02 2 144 19 19 CYS CA C 55.494 0.2 1 145 19 19 CYS CB C 38.212 0.2 1 146 19 19 CYS N N 122.166 0.2 1 147 20 20 CYS H H 10.015 0.02 1 148 20 20 CYS HA H 4.402 0.02 1 149 20 20 CYS HB2 H 3.238 0.02 2 150 20 20 CYS HB3 H 2.356 0.02 2 151 20 20 CYS CA C 54.301 0.2 1 152 20 20 CYS CB C 39.679 0.2 1 153 20 20 CYS N N 123.615 0.2 1 154 21 21 ILE H H 8.097 0.02 1 155 21 21 ILE HA H 3.886 0.02 1 156 21 21 ILE HB H 1.791 0.02 1 157 21 21 ILE HG12 H 1.561 0.02 2 158 21 21 ILE HG13 H 1.276 0.02 2 159 21 21 ILE HG2 H 0.910 0.02 1 160 21 21 ILE CA C 62.705 0.2 1 161 21 21 ILE CB C 37.455 0.2 1 162 22 22 GLY H H 8.717 0.02 1 163 22 22 GLY HA2 H 4.332 0.02 2 164 22 22 GLY HA3 H 3.571 0.02 2 165 22 22 GLY CA C 44.422 0.2 1 166 22 22 GLY N N 114.980 0.2 1 167 23 23 LEU H H 8.066 0.02 1 168 23 23 LEU HA H 4.977 0.02 1 169 23 23 LEU HB2 H 1.117 0.02 2 170 23 23 LEU HB3 H 1.949 0.02 2 171 23 23 LEU HG H 1.303 0.02 1 172 23 23 LEU HD1 H 0.613 0.02 2 173 23 23 LEU HD2 H 0.730 0.02 2 174 23 23 LEU CA C 53.254 0.2 1 175 23 23 LEU CB C 44.207 0.2 1 176 23 23 LEU N N 120.903 0.2 1 177 24 24 GLN H H 9.483 0.02 1 178 24 24 GLN HA H 4.532 0.02 1 179 24 24 GLN HB2 H 1.812 0.02 2 180 24 24 GLN HB3 H 1.737 0.02 2 181 24 24 GLN HG2 H 2.138 0.02 2 182 24 24 GLN HG3 H 2.138 0.02 2 183 24 24 GLN HE21 H 6.858 0.02 2 184 24 24 GLN HE22 H 7.476 0.02 2 185 24 24 GLN CA C 53.746 0.2 1 186 24 24 GLN CB C 32.443 0.2 1 187 24 24 GLN N N 118.630 0.2 1 188 25 25 CYS H H 8.865 0.02 1 189 25 25 CYS HA H 4.734 0.02 1 190 25 25 CYS HB2 H 3.035 0.02 2 191 25 25 CYS HB3 H 2.854 0.02 2 192 25 25 CYS CB C 40.398 0.2 1 193 25 25 CYS N N 125.114 0.2 1 194 26 26 ARG H H 9.517 0.02 1 195 26 26 ARG HA H 4.390 0.02 1 196 26 26 ARG HB2 H 1.559 0.02 2 197 26 26 ARG HB3 H 1.654 0.02 2 198 26 26 ARG HG2 H 1.226 0.02 2 199 26 26 ARG HG3 H 1.397 0.02 2 200 26 26 ARG HD2 H 3.066 0.02 2 201 26 26 ARG HD3 H 3.018 0.02 2 202 26 26 ARG HE H 7.173 0.02 1 203 26 26 ARG CA C 54.995 0.2 1 204 26 26 ARG CB C 32.513 0.2 1 205 26 26 ARG N N 133.389 0.2 1 206 27 27 TYR H H 8.949 0.02 1 207 27 27 TYR HA H 4.155 0.02 1 208 27 27 TYR HB2 H 3.088 0.02 2 209 27 27 TYR HB3 H 3.249 0.02 2 210 27 27 TYR HD1 H 7.063 0.02 3 211 27 27 TYR HD2 H 7.063 0.02 3 212 27 27 TYR HE1 H 6.853 0.02 3 213 27 27 TYR HE2 H 6.853 0.02 3 214 27 27 TYR CA C 57.920 0.2 1 215 27 27 TYR CB C 35.450 0.2 1 216 27 27 TYR N N 122.855 0.2 1 217 28 28 GLY H H 8.327 0.02 1 218 28 28 GLY HA2 H 3.425 0.02 2 219 28 28 GLY HA3 H 4.138 0.02 2 220 28 28 GLY CA C 45.970 0.2 1 221 28 28 GLY N N 102.916 0.2 1 222 29 29 LYS H H 7.926 0.02 1 223 29 29 LYS HA H 5.082 0.02 1 224 29 29 LYS HB2 H 1.721 0.02 2 225 29 29 LYS HB3 H 1.432 0.02 2 226 29 29 LYS HG2 H 1.296 0.02 2 227 29 29 LYS HG3 H 1.296 0.02 2 228 29 29 LYS HD2 H 1.604 0.02 2 229 29 29 LYS HD3 H 1.604 0.02 2 230 29 29 LYS HE2 H 3.014 0.02 2 231 29 29 LYS HE3 H 3.014 0.02 2 232 29 29 LYS CA C 54.715 0.2 1 233 29 29 LYS CB C 37.045 0.2 1 234 29 29 LYS N N 122.470 0.2 1 235 30 30 CYS H H 8.812 0.02 1 236 30 30 CYS HA H 4.845 0.02 1 237 30 30 CYS HB2 H 3.125 0.02 2 238 30 30 CYS HB3 H 2.481 0.02 2 239 30 30 CYS CA C 54.492 0.2 1 240 30 30 CYS CB C 39.109 0.2 1 241 30 30 CYS N N 119.755 0.2 1 242 31 31 LEU H H 9.161 0.02 1 243 31 31 LEU HA H 4.833 0.02 1 244 31 31 LEU HB2 H 1.748 0.02 2 245 31 31 LEU HB3 H 1.574 0.02 2 246 31 31 LEU HG H 1.755 0.02 1 247 31 31 LEU HD1 H 1.011 0.02 2 248 31 31 LEU HD2 H 1.011 0.02 2 249 31 31 LEU CB C 45.992 0.2 1 250 31 31 LEU N N 127.374 0.2 1 251 32 32 VAL H H 8.105 0.02 1 252 32 32 VAL HA H 3.922 0.02 1 253 32 32 VAL HB H 2.016 0.02 1 254 32 32 VAL HG1 H 0.992 0.02 2 255 32 32 VAL HG2 H 0.992 0.02 2 256 32 32 VAL CA C 64.622 0.2 1 257 32 32 VAL CB C 32.244 0.2 1 258 32 32 VAL N N 119.330 0.2 1 259 33 33 ARG H H 7.714 0.02 1 260 33 33 ARG HA H 3.967 0.02 1 261 33 33 ARG HB2 H 1.555 0.02 2 262 33 33 ARG HB3 H 1.688 0.02 2 263 33 33 ARG HG2 H 1.493 0.02 2 264 33 33 ARG HG3 H 1.493 0.02 2 265 33 33 ARG HD2 H 3.123 0.02 2 266 33 33 ARG HD3 H 3.123 0.02 2 267 33 33 ARG HE H 7.170 0.02 1 268 33 33 ARG CA C 57.887 0.2 1 269 33 33 ARG CB C 31.063 0.2 1 270 33 33 ARG N N 127.130 0.2 1 stop_ save_