data_34123 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Drosophila melanogaster Loquacious dsRBD2 ; _BMRB_accession_number 34123 _BMRB_flat_file_name bmr34123.str _Entry_type original _Submission_date 2017-04-16 _Accession_date 2017-04-16 _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 Tants J.N. . . 2 Fesser S. . . 3 Kern T. . . 4 Stehle R. . . 5 Geerlof A. . . 6 Wunderlich C. . . 7 Boettcher R. . . 8 Kunzelmann S. . . 9 Lange O. . . 10 Kreutz C. . . 11 Foerstemann K. . . 12 Sattler M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 309 "13C chemical shifts" 142 "15N chemical shifts" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-26 update BMRB 'update entry citation' 2017-10-31 original author 'original release' stop_ _Original_release_date 2017-10-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD / Dcr-2 complex in RNA interference ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29040648 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tants J.N. . . 2 Fesser S. . . 3 Kern T. . . 4 Stehle R. . . 5 Geerlof A. . . 6 Wunderlich C. . . 7 Juen M. . . 8 Hartlmuller C. . . 9 Boettcher R. . . 10 Kunzelmann S. . . 11 Lange O. . . 12 Kreutz C. . . 13 Foerstemann K. . . 14 Sattler M. . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 45 _Journal_issue 21 _Journal_ASTM NARHAD _Journal_ISSN 1362-4962 _Journal_CSD 0389 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12536 _Page_last 12550 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Loquacious _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 8535.046 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; DKTVGIGWLQEMCMQRRWPP PSYETETEVGLPHERLFTIA CSILNYREMGKGKSKKIAKR LAAHRMWMRLQE ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 LYS 3 THR 4 VAL 5 GLY 6 ILE 7 GLY 8 TRP 9 LEU 10 GLN 11 GLU 12 MET 13 CYS 14 MET 15 GLN 16 ARG 17 ARG 18 TRP 19 PRO 20 PRO 21 PRO 22 SER 23 TYR 24 GLU 25 THR 26 GLU 27 THR 28 GLU 29 VAL 30 GLY 31 LEU 32 PRO 33 HIS 34 GLU 35 ARG 36 LEU 37 PHE 38 THR 39 ILE 40 ALA 41 CYS 42 SER 43 ILE 44 LEU 45 ASN 46 TYR 47 ARG 48 GLU 49 MET 50 GLY 51 LYS 52 GLY 53 LYS 54 SER 55 LYS 56 LYS 57 ILE 58 ALA 59 LYS 60 ARG 61 LEU 62 ALA 63 ALA 64 HIS 65 ARG 66 MET 67 TRP 68 MET 69 ARG 70 LEU 71 GLN 72 GLU 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 _Gene_mnemonic $entity_1 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 'loqs, Dmel\CG6866, dRax, loq, LOQS, Loqs, R3D1, r3d1, R3D1-L, R3D1-S, TRBP, CG6866, Dmel_CG6866' 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' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '2 g/L [U-13C; U-15N] dsRBD2, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 g/L '[U-13C; U-15N]' NaCl 500 mM 'natural abundance' PO4 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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 CS-Rosetta _Version 'autoNOE Rosetta' loop_ _Vendor _Address _Electronic_address 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-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' 520 . mM pH 6.5 . pH pressure 101325 . Pa 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 . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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 HNCA' '3D HNCACB' '3D HNCACO' '3D HNCO' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-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 ASP H H 8.048 . . 2 1 1 ASP HA H 4.453 . . 3 1 1 ASP HB3 H 2.583 . . 4 1 1 ASP N N 121.126 . . 5 2 2 LYS H H 8.112 . . 6 2 2 LYS N N 121.358 . . 7 3 3 THR HA H 4.180 . . 8 3 3 THR HB H 4.072 . . 9 3 3 THR HG2 H 0.767 . . 10 3 3 THR CA C 62.264 . . 11 3 3 THR CB C 69.711 . . 12 3 3 THR CG2 C 21.370 . . 13 4 4 VAL H H 7.883 . . 14 4 4 VAL HA H 4.068 . . 15 4 4 VAL HB H 1.923 . . 16 4 4 VAL HG2 H 0.758 . . 17 4 4 VAL CA C 62.110 . . 18 4 4 VAL CB C 32.527 . . 19 4 4 VAL CG2 C 20.667 . . 20 4 4 VAL N N 121.721 . . 21 5 5 GLY HA2 H 4.043 . . 22 5 5 GLY HA3 H 3.806 . . 23 5 5 GLY CA C 44.564 . . 24 8 6 ILE HA H 3.470 . . 25 8 6 ILE HB H 1.587 . . 26 8 6 ILE HG12 H 1.380 . . 27 8 6 ILE HG13 H 0.708 . . 28 8 6 ILE HG2 H 0.732 . . 29 8 6 ILE HD1 H 0.601 . . 30 8 6 ILE H H 7.617 . . 31 8 6 ILE CA C 65.550 . . 32 8 6 ILE CB C 38.010 . . 33 8 6 ILE CG1 C 30.069 . . 34 8 6 ILE CG2 C 16.674 . . 35 8 6 ILE CD1 C 14.111 . . 36 8 6 ILE N N 117.960 . . 37 9 7 GLY H H 6.999 . . 38 9 7 GLY HA2 H 3.824 . . 39 9 7 GLY HA3 H 3.822 . . 40 9 7 GLY CA C 47.088 . . 41 9 7 GLY N N 108.269 . . 42 10 8 TRP H H 8.078 . . 43 10 8 TRP HA H 4.423 . . 44 10 8 TRP HB3 H 2.400 . . 45 10 8 TRP CA C 58.000 . . 46 10 8 TRP N N 122.796 . . 47 11 9 LEU H H 8.393 . . 48 11 9 LEU HA H 4.278 . . 49 11 9 LEU HB2 H 2.054 . . 50 11 9 LEU HB3 H 1.552 . . 51 11 9 LEU HG H 1.095 . . 52 11 9 LEU CA C 57.877 . . 53 11 9 LEU CB C 42.858 . . 54 11 9 LEU N N 118.495 . . 55 12 10 GLN H H 7.470 . . 56 12 10 GLN HA H 3.857 . . 57 12 10 GLN HB2 H 2.344 . . 58 12 10 GLN HB3 H 2.240 . . 59 12 10 GLN HG2 H 2.509 . . 60 12 10 GLN HG3 H 2.433 . . 61 12 10 GLN CB C 28.358 . . 62 12 10 GLN CG C 33.765 . . 63 12 10 GLN N N 119.031 . . 64 13 11 GLU H H 8.095 . . 65 13 11 GLU HA H 4.040 . . 66 13 11 GLU HB2 H 2.084 . . 67 13 11 GLU HB3 H 2.088 . . 68 13 11 GLU HG2 H 2.316 . . 69 13 11 GLU HG3 H 2.239 . . 70 13 11 GLU CA C 59.480 . . 71 13 11 GLU CB C 29.532 . . 72 13 11 GLU CG C 36.212 . . 73 13 11 GLU N N 119.695 . . 74 14 12 MET H H 8.329 . . 75 14 12 MET HA H 3.977 . . 76 14 12 MET HB2 H 2.268 . . 77 14 12 MET HB3 H 2.232 . . 78 14 12 MET HG2 H 2.406 . . 79 14 12 MET HG3 H 2.099 . . 80 14 12 MET CA C 59.219 . . 81 14 12 MET CB C 33.228 . . 82 14 12 MET CG C 31.576 . . 83 14 12 MET N N 120.729 . . 84 15 13 CYS H H 8.315 . . 85 15 13 CYS HA H 4.044 . . 86 15 13 CYS HB2 H 3.062 . . 87 15 13 CYS HB3 H 2.943 . . 88 15 13 CYS CA C 64.932 . . 89 15 13 CYS N N 115.866 . . 90 16 14 MET H H 7.575 . . 91 16 14 MET HA H 4.200 . . 92 16 14 MET HB2 H 2.188 . . 93 16 14 MET HB3 H 2.164 . . 94 16 14 MET HG2 H 2.696 . . 95 16 14 MET HG3 H 2.577 . . 96 16 14 MET CA C 58.745 . . 97 16 14 MET CB C 32.011 . . 98 16 14 MET CG C 32.213 . . 99 16 14 MET N N 118.043 . . 100 17 15 GLN H H 8.197 . . 101 17 15 GLN HA H 3.884 . . 102 17 15 GLN HB2 H 2.076 . . 103 17 15 GLN HB3 H 1.979 . . 104 17 15 GLN HG2 H 2.449 . . 105 17 15 GLN HG3 H 2.319 . . 106 17 15 GLN CA C 58.828 . . 107 17 15 GLN CB C 28.268 . . 108 17 15 GLN CG C 33.632 . . 109 17 15 GLN N N 119.969 . . 110 18 16 ARG H H 7.569 . . 111 18 16 ARG HA H 3.766 . . 112 18 16 ARG HB2 H 0.436 . . 113 18 16 ARG HB3 H 0.258 . . 114 18 16 ARG HG2 H 1.016 . . 115 18 16 ARG HG3 H 0.795 . . 116 18 16 ARG HD2 H 2.104 . . 117 18 16 ARG HD3 H 1.901 . . 118 18 16 ARG CA C 55.364 . . 119 18 16 ARG CB C 28.405 . . 120 18 16 ARG CG C 26.692 . . 121 18 16 ARG CD C 41.917 . . 122 18 16 ARG N N 115.784 . . 123 19 17 ARG H H 7.546 . . 124 19 17 ARG HA H 3.872 . . 125 19 17 ARG HB2 H 2.130 . . 126 19 17 ARG HB3 H 1.930 . . 127 19 17 ARG HG2 H 1.511 . . 128 19 17 ARG HG3 H 1.511 . . 129 19 17 ARG HD2 H 3.161 . . 130 19 17 ARG HD3 H 3.161 . . 131 19 17 ARG CA C 57.307 . . 132 19 17 ARG CB C 26.002 . . 133 19 17 ARG CG C 27.582 . . 134 19 17 ARG CD C 43.411 . . 135 19 17 ARG N N 114.408 . . 136 20 18 TRP H H 8.636 . . 137 20 18 TRP HA H 5.290 . . 138 20 18 TRP HB2 H 3.126 . . 139 20 18 TRP HB3 H 2.962 . . 140 20 18 TRP CA C 52.240 . . 141 20 18 TRP CB C 30.066 . . 142 20 18 TRP N N 121.490 . . 143 24 22 SER H H 8.222 . . 144 24 22 SER HA H 4.766 . . 145 24 22 SER HB2 H 3.694 . . 146 24 22 SER HB3 H 3.694 . . 147 24 22 SER CA C 56.365 . . 148 24 22 SER CB C 65.013 . . 149 24 22 SER N N 117.124 . . 150 25 23 TYR H H 8.661 . . 151 25 23 TYR HA H 5.573 . . 152 25 23 TYR HB2 H 2.694 . . 153 25 23 TYR HB3 H 2.584 . . 154 25 23 TYR CA C 56.697 . . 155 25 23 TYR CB C 40.459 . . 156 25 23 TYR N N 122.962 . . 157 26 24 GLU H H 8.728 . . 158 26 24 GLU HA H 4.689 . . 159 26 24 GLU HB2 H 1.982 . . 160 26 24 GLU HB3 H 1.823 . . 161 26 24 GLU HG2 H 2.132 . . 162 26 24 GLU HG3 H 2.119 . . 163 26 24 GLU CB C 33.583 . . 164 26 24 GLU CG C 35.918 . . 165 26 24 GLU N N 122.317 . . 166 27 25 THR HA H 4.551 . . 167 27 25 THR HB H 4.069 . . 168 27 25 THR HG2 H 1.215 . . 169 27 25 THR CB C 69.030 . . 170 27 25 THR CG2 C 22.258 . . 171 28 26 GLU H H 8.745 . . 172 28 26 GLU HA H 4.466 . . 173 28 26 GLU HB2 H 1.941 . . 174 28 26 GLU HB3 H 1.724 . . 175 28 26 GLU HG2 H 2.115 . . 176 28 26 GLU HG3 H 2.040 . . 177 28 26 GLU CA C 56.568 . . 178 28 26 GLU CB C 31.527 . . 179 28 26 GLU CG C 36.076 . . 180 28 26 GLU N N 128.998 . . 181 29 27 THR H H 8.036 . . 182 29 27 THR HA H 4.466 . . 183 29 27 THR HB H 3.971 . . 184 29 27 THR HG2 H 1.035 . . 185 29 27 THR CG2 C 21.745 . . 186 29 27 THR N N 113.721 . . 187 30 28 GLU H H 8.320 . . 188 30 28 GLU HB3 H 1.748 . . 189 30 28 GLU HG2 H 1.952 . . 190 30 28 GLU N N 124.185 . . 191 31 29 VAL H H 5.058 . . 192 31 29 VAL HA H 4.251 . . 193 31 29 VAL HB H 1.957 . . 194 31 29 VAL HG2 H 0.782 . . 195 31 29 VAL CA C 61.308 . . 196 31 29 VAL CB C 34.041 . . 197 31 29 VAL CG1 C 20.779 . . 198 31 29 VAL CG2 C 20.373 . . 199 31 29 VAL N N 120.486 . . 200 32 30 GLY H H 8.261 . . 201 32 30 GLY HA2 H 4.054 . . 202 32 30 GLY HA3 H 3.809 . . 203 32 30 GLY CA C 44.393 . . 204 32 30 GLY N N 111.877 . . 205 33 31 LEU H H 8.296 . . 206 33 31 LEU HA H 4.441 . . 207 33 31 LEU HB2 H 1.482 . . 208 33 31 LEU HB3 H 1.329 . . 209 33 31 LEU HG H 1.616 . . 210 33 31 LEU HD1 H 0.879 . . 211 33 31 LEU HD2 H 0.867 . . 212 33 31 LEU CA C 53.578 . . 213 33 31 LEU CB C 40.862 . . 214 33 31 LEU CG C 27.453 . . 215 33 31 LEU CD1 C 25.511 . . 216 33 31 LEU CD2 C 22.655 . . 217 33 31 LEU N N 123.344 . . 218 36 34 GLU H H 7.701 . . 219 36 34 GLU HA H 4.360 . . 220 36 34 GLU HG2 H 1.731 . . 221 36 34 GLU HG3 H 1.731 . . 222 36 34 GLU N N 121.327 . . 223 37 35 ARG H H 7.782 . . 224 37 35 ARG HA H 4.201 . . 225 37 35 ARG HB2 H 1.550 . . 226 37 35 ARG HB3 H 1.445 . . 227 37 35 ARG HG2 H 1.259 . . 228 37 35 ARG HG3 H 1.196 . . 229 37 35 ARG HD2 H 2.867 . . 230 37 35 ARG HD3 H 2.867 . . 231 37 35 ARG CA C 55.893 . . 232 37 35 ARG CB C 30.818 . . 233 37 35 ARG CG C 26.299 . . 234 37 35 ARG CD C 43.239 . . 235 37 35 ARG N N 122.305 . . 236 38 36 LEU H H 8.089 . . 237 38 36 LEU HA H 4.435 . . 238 38 36 LEU HB2 H 1.288 . . 239 38 36 LEU HB3 H 1.229 . . 240 38 36 LEU HG H 1.358 . . 241 38 36 LEU HD1 H 0.701 . . 242 38 36 LEU HD2 H 0.663 . . 243 38 36 LEU CA C 53.735 . . 244 38 36 LEU CB C 44.773 . . 245 38 36 LEU CG C 26.901 . . 246 38 36 LEU CD1 C 24.825 . . 247 38 36 LEU CD2 C 24.184 . . 248 38 36 LEU N N 122.225 . . 249 39 37 PHE H H 8.808 . . 250 39 37 PHE HA H 4.718 . . 251 39 37 PHE HB2 H 2.623 . . 252 39 37 PHE HB3 H 2.571 . . 253 39 37 PHE CB C 41.497 . . 254 39 37 PHE N N 122.366 . . 255 40 38 THR H H 8.710 . . 256 40 38 THR HA H 5.214 . . 257 40 38 THR HB H 3.966 . . 258 40 38 THR HG2 H 1.048 . . 259 40 38 THR CA C 61.640 . . 260 40 38 THR CB C 70.206 . . 261 40 38 THR CG2 C 21.764 . . 262 40 38 THR N N 116.977 . . 263 41 39 ILE H H 9.088 . . 264 41 39 ILE HA H 4.932 . . 265 41 39 ILE HB H 1.478 . . 266 41 39 ILE HG12 H 1.374 . . 267 41 39 ILE HG13 H 1.330 . . 268 41 39 ILE HG2 H 0.847 . . 269 41 39 ILE HD1 H 0.779 . . 270 41 39 ILE CA C 58.257 . . 271 41 39 ILE CB C 40.523 . . 272 41 39 ILE CG1 C 28.353 . . 273 41 39 ILE CG2 C 17.866 . . 274 41 39 ILE CD1 C 12.808 . . 275 42 40 ALA H H 9.038 . . 276 42 40 ALA HA H 5.209 . . 277 42 40 ALA HB H 1.174 . . 278 42 40 ALA CA C 49.909 . . 279 42 40 ALA CB C 21.495 . . 280 43 41 CYS H H 9.368 . . 281 43 41 CYS HA H 4.676 . . 282 43 41 CYS HB2 H 2.542 . . 283 43 41 CYS HB3 H 2.359 . . 284 43 41 CYS CB C 29.457 . . 285 43 41 CYS N N 124.677 . . 286 44 42 SER H H 8.812 . . 287 44 42 SER HA H 5.339 . . 288 44 42 SER HB2 H 3.616 . . 289 44 42 SER HB3 H 3.521 . . 290 44 42 SER CA C 57.418 . . 291 44 42 SER CB C 65.311 . . 292 44 42 SER N N 123.901 . . 293 45 43 ILE H H 7.877 . . 294 45 43 ILE HA H 4.054 . . 295 45 43 ILE HB H 1.651 . . 296 45 43 ILE HG12 H 1.501 . . 297 45 43 ILE HG13 H 1.502 . . 298 45 43 ILE HG2 H 0.772 . . 299 45 43 ILE HD1 H 0.884 . . 300 45 43 ILE CA C 60.941 . . 301 45 43 ILE CB C 43.042 . . 302 45 43 ILE CG2 C 17.766 . . 303 45 43 ILE CD1 C 16.308 . . 304 45 43 ILE N N 125.465 . . 305 46 44 LEU H H 8.812 . . 306 46 44 LEU HA H 3.519 . . 307 46 44 LEU HB2 H 1.502 . . 308 46 44 LEU HB3 H 0.990 . . 309 46 44 LEU HG H 0.953 . . 310 46 44 LEU HD1 H -0.257 . . 311 46 44 LEU HD2 H 0.431 . . 312 46 44 LEU CA C 56.480 . . 313 46 44 LEU CB C 38.769 . . 314 46 44 LEU CG C 26.950 . . 315 46 44 LEU CD1 C 24.052 . . 316 46 44 LEU CD2 C 22.233 . . 317 46 44 LEU N N 123.895 . . 318 47 45 ASN H H 7.825 . . 319 47 45 ASN HA H 4.619 . . 320 47 45 ASN HB2 H 2.531 . . 321 47 45 ASN HB3 H 2.516 . . 322 47 45 ASN CB C 37.439 . . 323 47 45 ASN N N 118.800 . . 324 48 46 TYR H H 8.781 . . 325 48 46 TYR HA H 4.614 . . 326 48 46 TYR HB2 H 3.089 . . 327 48 46 TYR HB3 H 2.741 . . 328 48 46 TYR CB C 39.627 . . 329 48 46 TYR N N 122.038 . . 330 49 47 ARG H H 8.609 . . 331 49 47 ARG HA H 5.229 . . 332 49 47 ARG HB2 H 1.531 . . 333 49 47 ARG HB3 H 1.473 . . 334 49 47 ARG HG2 H 1.321 . . 335 49 47 ARG HG3 H 1.175 . . 336 49 47 ARG HD2 H 2.963 . . 337 49 47 ARG HD3 H 2.963 . . 338 49 47 ARG CA C 55.826 . . 339 49 47 ARG CB C 33.496 . . 340 49 47 ARG CG C 27.760 . . 341 49 47 ARG CD C 43.460 . . 342 49 47 ARG N N 125.668 . . 343 50 48 GLU H H 8.728 . . 344 50 48 GLU HB3 H 1.810 . . 345 50 48 GLU N N 123.953 . . 346 51 49 MET H H 8.947 . . 347 51 49 MET HA H 5.567 . . 348 51 49 MET HB2 H 1.912 . . 349 51 49 MET HB3 H 1.795 . . 350 51 49 MET HG2 H 2.422 . . 351 51 49 MET HG3 H 2.387 . . 352 51 49 MET CA C 54.101 . . 353 51 49 MET CB C 35.290 . . 354 51 49 MET CG C 32.154 . . 355 51 49 MET N N 119.231 . . 356 52 50 GLY H H 9.024 . . 357 52 50 GLY HA2 H 4.433 . . 358 52 50 GLY HA3 H 3.914 . . 359 52 50 GLY CA C 44.325 . . 360 52 50 GLY N N 107.924 . . 361 53 51 LYS H H 7.788 . . 362 53 51 LYS HA H 5.949 . . 363 53 51 LYS HB2 H 1.625 . . 364 53 51 LYS HB3 H 1.625 . . 365 53 51 LYS HG2 H 1.438 . . 366 53 51 LYS HG3 H 1.292 . . 367 53 51 LYS HD2 H 1.526 . . 368 53 51 LYS HD3 H 1.526 . . 369 53 51 LYS HE2 H 2.812 . . 370 53 51 LYS HE3 H 2.812 . . 371 53 51 LYS CA C 54.142 . . 372 53 51 LYS CB C 36.562 . . 373 53 51 LYS CG C 24.868 . . 374 53 51 LYS CD C 29.504 . . 375 53 51 LYS CE C 42.139 . . 376 53 51 LYS N N 121.047 . . 377 54 52 GLY H H 8.618 . . 378 54 52 GLY HA2 H 4.352 . . 379 54 52 GLY HA3 H 3.956 . . 380 54 52 GLY CA C 45.537 . . 381 54 52 GLY N N 105.602 . . 382 56 54 SER H H 7.463 . . 383 56 54 SER HA H 4.652 . . 384 56 54 SER HB2 H 4.080 . . 385 56 54 SER CB C 66.772 . . 386 56 54 SER N N 111.415 . . 387 59 57 ILE H H 7.428 . . 388 59 57 ILE HA H 3.559 . . 389 59 57 ILE HB H 1.558 . . 390 59 57 ILE HG13 H 1.025 . . 391 59 57 ILE N N 119.760 . . 392 60 58 ALA H H 7.732 . . 393 60 58 ALA HA H 3.625 . . 394 60 58 ALA HB H 1.304 . . 395 60 58 ALA CA C 55.700 . . 396 60 58 ALA CB C 18.498 . . 397 60 58 ALA N N 121.508 . . 398 61 59 LYS H H 8.332 . . 399 61 59 LYS HA H 3.620 . . 400 61 59 LYS HB2 H 1.591 . . 401 61 59 LYS HB3 H 1.591 . . 402 61 59 LYS HG2 H 0.787 . . 403 61 59 LYS HG3 H 0.787 . . 404 61 59 LYS N N 117.190 . . 405 62 60 ARG H H 7.490 . . 406 62 60 ARG HA H 3.668 . . 407 62 60 ARG HG2 H 1.584 . . 408 62 60 ARG HG3 H 1.584 . . 409 62 60 ARG HD2 H 3.058 . . 410 62 60 ARG HD3 H 3.058 . . 411 62 60 ARG N N 117.792 . . 412 63 61 LEU H H 8.063 . . 413 63 61 LEU HA H 4.227 . . 414 63 61 LEU HB2 H 1.792 . . 415 63 61 LEU HB3 H 1.679 . . 416 63 61 LEU HG H 1.789 . . 417 63 61 LEU HD1 H 4.534 . . 418 63 61 LEU HD2 H 0.984 . . 419 63 61 LEU CA C 57.888 . . 420 63 61 LEU CB C 41.727 . . 421 63 61 LEU CD1 C 25.095 . . 422 63 61 LEU N N 119.315 . . 423 64 62 ALA H H 8.291 . . 424 64 62 ALA HA H 3.762 . . 425 64 62 ALA HB H 1.538 . . 426 64 62 ALA CA C 55.773 . . 427 64 62 ALA CB C 18.691 . . 428 64 62 ALA N N 123.947 . . 429 65 63 ALA H H 8.387 . . 430 65 63 ALA HA H 4.212 . . 431 65 63 ALA HB H 1.328 . . 432 65 63 ALA CA C 53.257 . . 433 65 63 ALA CB C 19.248 . . 434 65 63 ALA N N 118.066 . . 435 66 64 HIS H H 8.850 . . 436 66 64 HIS HA H 4.207 . . 437 66 64 HIS HB2 H 3.393 . . 438 66 64 HIS HB3 H 3.205 . . 439 66 64 HIS CA C 60.888 . . 440 66 64 HIS CB C 31.525 . . 441 66 64 HIS N N 119.266 . . 442 67 65 ARG H H 8.421 . . 443 67 65 ARG HA H 3.694 . . 444 67 65 ARG HB2 H 1.829 . . 445 67 65 ARG HB3 H 1.829 . . 446 67 65 ARG HG2 H 1.543 . . 447 67 65 ARG HG3 H 1.543 . . 448 67 65 ARG HD2 H 3.072 . . 449 67 65 ARG HD3 H 3.034 . . 450 67 65 ARG CA C 60.007 . . 451 67 65 ARG CB C 29.872 . . 452 67 65 ARG CG C 27.931 . . 453 67 65 ARG CD C 43.644 . . 454 67 65 ARG N N 118.120 . . 455 68 66 MET H H 8.339 . . 456 68 66 MET N N 120.163 . . 457 69 67 TRP H H 9.254 . . 458 69 67 TRP HA H 4.106 . . 459 69 67 TRP HB2 H 3.647 . . 460 69 67 TRP HB3 H 3.286 . . 461 69 67 TRP CA C 61.431 . . 462 69 67 TRP CB C 28.978 . . 463 69 67 TRP N N 121.741 . . 464 70 68 MET H H 8.378 . . 465 70 68 MET HA H 3.732 . . 466 70 68 MET HG3 H 2.398 . . 467 70 68 MET N N 115.649 . . 468 71 69 ARG H H 7.831 . . 469 71 69 ARG HA H 3.918 . . 470 71 69 ARG HB2 H 1.997 . . 471 71 69 ARG HB3 H 1.871 . . 472 71 69 ARG HG2 H 1.393 . . 473 71 69 ARG HG3 H 1.393 . . 474 71 69 ARG HD2 H 2.916 . . 475 71 69 ARG HD3 H 2.916 . . 476 71 69 ARG CA C 58.490 . . 477 71 69 ARG CB C 29.354 . . 478 71 69 ARG CG C 26.412 . . 479 71 69 ARG N N 120.943 . . 480 72 70 LEU H H 7.974 . . 481 72 70 LEU HA H 3.950 . . 482 72 70 LEU HB2 H 1.548 . . 483 72 70 LEU HB3 H 1.315 . . 484 72 70 LEU HG H 0.822 . . 485 72 70 LEU HD1 H 0.410 . . 486 72 70 LEU CB C 41.454 . . 487 72 70 LEU CG C 26.631 . . 488 72 70 LEU CD1 C 21.897 . . 489 72 70 LEU CD2 C 21.897 . . 490 72 70 LEU N N 117.983 . . 491 73 71 GLN H H 7.394 . . 492 73 71 GLN HA H 3.755 . . 493 73 71 GLN HB2 H 1.702 . . 494 73 71 GLN HB3 H 1.588 . . 495 73 71 GLN HG2 H 1.501 . . 496 73 71 GLN HG3 H 1.504 . . 497 73 71 GLN CA C 56.552 . . 498 73 71 GLN CB C 28.551 . . 499 73 71 GLN CG C 32.819 . . 500 73 71 GLN N N 116.767 . . 501 74 72 GLU H H 7.445 . . 502 74 72 GLU HA H 4.139 . . 503 74 72 GLU HB2 H 2.014 . . 504 74 72 GLU HB3 H 1.904 . . 505 74 72 GLU HG2 H 2.130 . . 506 74 72 GLU HG3 H 2.130 . . 507 74 72 GLU CA C 56.657 . . 508 74 72 GLU CB C 30.056 . . 509 74 72 GLU CG C 36.138 . . 510 74 72 GLU N N 117.730 . . stop_ save_