data_34160 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Putative active dimeric state of GHR transmembrane domain ; _BMRB_accession_number 34160 _BMRB_flat_file_name bmr34160.str _Entry_type original _Submission_date 2017-07-08 _Accession_date 2017-07-08 _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 Lesovoy D. M. . 2 Bocharov E. V. . 3 Bocharova O. V. . 4 Urban A. S. . 5 Arseniev A. S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 297 "13C chemical shifts" 226 "15N chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-06 original BMRB . stop_ _Original_release_date 2018-04-04 save_ ############################# # Citation for this entry # ############################# save_citation_2 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of the signal transduction via transmembrane domain of the human growth hormone receptor. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29571748 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bocharov E. V. . 2 Lesovoy D. M. . 3 Bocharova O. V. . 4 Urban A. S. . 5 Pavlov K. V. . 6 Volynsky P. E. . 7 Efremov R. G. . 8 Arseniev A. S. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1862 _Journal_issue . _Journal_ASTM BBACAQ _Journal_ISSN 0006-3002 _Journal_CSD 0113 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1410 _Page_last 1420 _Year 2018 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; Preparation of Transmembrane Fragments Growth Hormone Receptor GHR in a Cell-Free Expression System for Structural Studies. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27125024 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bocharova O. V. . 2 Kuzmichev P. K. . 3 Urban A. S. . 4 Goncharuk S. A. . 5 Bocharov E. V. . 6 Arsenyev A. S. . stop_ _Journal_abbreviation 'Bioorg. Khim.' _Journal_name_full . _Journal_volume 41 _Journal_issue . _Journal_CSD 0364 _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 701 _Page_last 708 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Growth hormone receptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, chain 1' $entity_1 'entity_1, chain 2' $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 5145.129 _Mol_thiol_state . _Details 'The author sequence numbering corresponds to the Swiss-Prot annotation of the human Growth hormone receptor (GHR), P10912' ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; GSMSQFTCEEDFYFPWLLII IFGIFGLTVMLFVFLFSKQQ RIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 252 GLY 2 253 SER 3 254 MET 4 255 SER 5 256 GLN 6 257 PHE 7 258 THR 8 259 CYS 9 260 GLU 10 261 GLU 11 262 ASP 12 263 PHE 13 264 TYR 14 265 PHE 15 266 PRO 16 267 TRP 17 268 LEU 18 269 LEU 19 270 ILE 20 271 ILE 21 272 ILE 22 273 PHE 23 274 GLY 24 275 ILE 25 276 PHE 26 277 GLY 27 278 LEU 28 279 THR 29 280 VAL 30 281 MET 31 282 LEU 32 283 PHE 33 284 VAL 34 285 PHE 35 286 LEU 36 287 PHE 37 288 SER 38 289 LYS 39 290 GLN 40 291 GLN 41 292 ARG 42 293 ILE 43 294 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens GHR 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' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details ; 0.7 mM [U-99% 13C; U-99% 15N] GHRtm, 1.2 mM GHRtm, 100 mM [U-99% 2H] DPC, 0.3 mM sodium azide, 8 mM TCEP, 10 mM citric acid, 20 mM Na2HPO4, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-99% 13C; U-99% 15N]' GHRtm 1.2 mM 'natural abundance' DPC 100 mM '[U-99% 2H]' 'sodium azide' 0.3 mM 'natural abundance' TCEP 8 mM 'natural abundance' 'citric acid' 10 mM 'natural abundance' Na2HPO4 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details ; 0.8 mM [U-99% 15N] GHRtm, 50 mM [U-99% 2H] DPC, 0.3 mM sodium azide, 8 mM TCEP, 10 mM citric acid, 20 mM Na2HPO4, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 15N]' DPC 50 mM '[U-99% 2H]' 'sodium azide' 0.3 mM 'natural abundance' TCEP 8 mM 'natural abundance' 'citric acid' 10 mM 'natural abundance' Na2HPO4 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type micelle _Details ; 0.8 mM [U-99% 13C; U-99% 15N] GHRtm, 50 mM [U-99% 2H] DPC, 0.3 mM sodium azide, 8 mM TCEP, 10 mM citric acid, 20 mM Na2HPO4, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' DPC 50 mM '[U-99% 2H]' 'sodium azide' 0.3 mM 'natural abundance' TCEP 8 mM 'natural abundance' 'citric acid' 10 mM 'natural abundance' Na2HPO4 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version 1.9 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Mathematica _Version Linux loop_ _Vendor _Address _Electronic_address 'Wolfram Research' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name MddNMR _Version 2.4 loop_ _Vendor _Address _Electronic_address 'V. Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N,13C-F1-filtered/F3-edited-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N,13C-F1-filtered/F3-edited-NOESY _Sample_label $sample_1 save_ save_15N,13C-F1-filtered/F3-edited-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N,13C-F1-filtered/F3-edited-NOESY _Sample_label $sample_3 save_ save_3D_1H-13C(constant_time)_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C(constant time) NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-15N(TROSY)_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N(TROSY) NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_1H-15N(TROSY)_HNHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N(TROSY) HNHB' _Sample_label $sample_2 save_ save_3D_1H-15N(TROSY)_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N(TROSY) HNHA' _Sample_label $sample_2 save_ save_3D_1H-15N(TROSY)_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N(TROSY) HNCO' _Sample_label $sample_3 save_ save_3D_1H-15N(TROSY)_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N(TROSY) HNCA' _Sample_label $sample_3 save_ save_3D_1H-15N(TROSY)_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N(TROSY) HN(CA)CO' _Sample_label $sample_3 save_ save_3D_1H-15N(TROSY)_HN(CO)CA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N(TROSY) HN(CO)CA' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_2D_1H-INEPT-13CA-detected_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-INEPT-13CA-detected' _Sample_label $sample_3 save_ save_2D_1H-13C_constant_time_HSQC_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C constant time HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_constant_time_HSQC_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C constant time HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C(TROSY)_constant_time_HSQC_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C(TROSY) constant time HSQC aromatic' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_constant_time_HCCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C constant time HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-15N_CSA/dipole_cross-correlation_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N CSA/dipole cross-correlation' _Sample_label $sample_2 save_ save_2D_1H-15N(TROSY)_CLEANEX_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N(TROSY) CLEANEX' _Sample_label $sample_2 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' 40 10 mM pH 5.0 0.05 pH pressure 1 . atm temperature 313 . 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 0.00 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details 'The author sequence numbering corresponds to the Swiss-Prot annotation of the human Growth hormone receptor (GHR), P10912' loop_ _Experiment_label 15N,13C-F1-filtered/F3-edited-NOESY '3D 1H-13C(constant time) NOESY aliphatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N(TROSY) NOESY' '3D 1H-13C NOESY aromatic' '3D 1H-15N(TROSY) HNHB' '3D 1H-15N(TROSY) HNHA' '3D 1H-15N(TROSY) HNCO' '3D 1H-15N(TROSY) HNCA' '3D 1H-15N(TROSY) HN(CA)CO' '3D 1H-15N(TROSY) HN(CO)CA' '2D 1H-15N HSQC' '2D 1H-15N TROSY' '2D 1H-INEPT-13CA-detected' '2D 1H-13C constant time HSQC aliphatic' '2D 1H-13C constant time HSQC aromatic' '2D 1H-13C(TROSY) constant time HSQC aromatic' '3D HCCH-TOCSY' '3D 1H-13C constant time HCCH-TOCSY' '2D 1H-15N CSA/dipole cross-correlation' '2D 1H-15N(TROSY) CLEANEX' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, chain 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 1 252 1 GLY HA2 H 3.896 0.020 2 2 252 1 GLY HA3 H 3.870 0.020 2 3 252 1 GLY C C 169.802 0.100 1 4 252 1 GLY CA C 42.745 0.100 1 5 253 2 SER H H 8.714 0.020 1 6 253 2 SER HA H 4.579 0.020 1 7 253 2 SER HB2 H 3.872 0.020 2 8 253 2 SER HB3 H 3.835 0.020 2 9 253 2 SER HG H 4.133 0.020 1 10 253 2 SER CA C 57.518 0.100 1 11 253 2 SER CB C 63.288 0.100 1 12 253 2 SER N N 116.368 0.100 1 13 254 3 MET H H 8.789 0.020 1 14 254 3 MET HA H 4.455 0.020 1 15 254 3 MET HB2 H 2.092 0.020 2 16 254 3 MET HB3 H 2.051 0.020 2 17 254 3 MET HG2 H 2.576 0.020 2 18 254 3 MET HG3 H 2.505 0.020 2 19 254 3 MET HE H 1.984 0.020 1 20 254 3 MET C C 176.020 0.100 1 21 254 3 MET CA C 55.669 0.100 1 22 254 3 MET CB C 31.885 0.100 1 23 254 3 MET CG C 31.758 0.100 1 24 254 3 MET CE C 16.415 0.100 1 25 254 3 MET N N 121.424 0.100 1 26 255 4 SER H H 8.157 0.020 1 27 255 4 SER HA H 4.310 0.020 1 28 255 4 SER HB2 H 3.869 0.020 2 29 255 4 SER HB3 H 3.818 0.020 2 30 255 4 SER HG H 4.712 0.020 1 31 255 4 SER CA C 58.843 0.100 1 32 255 4 SER CB C 62.693 0.100 1 33 255 4 SER N N 115.334 0.100 1 34 256 5 GLN H H 8.149 0.020 1 35 256 5 GLN HA H 4.196 0.020 1 36 256 5 GLN HB2 H 1.875 0.020 2 37 256 5 GLN HB3 H 1.875 0.020 2 38 256 5 GLN HG2 H 2.103 0.020 2 39 256 5 GLN HG3 H 2.103 0.020 2 40 256 5 GLN HE21 H 7.341 0.020 2 41 256 5 GLN HE22 H 6.697 0.020 2 42 256 5 GLN C C 175.220 0.100 1 43 256 5 GLN CA C 56.015 0.100 1 44 256 5 GLN CB C 28.282 0.100 1 45 256 5 GLN CG C 33.168 0.100 1 46 256 5 GLN N N 120.704 0.100 1 47 256 5 GLN NE2 N 111.157 0.100 1 48 257 6 PHE H H 7.981 0.020 1 49 257 6 PHE HA H 4.431 0.020 1 50 257 6 PHE HB2 H 3.156 0.020 2 51 257 6 PHE HB3 H 3.001 0.020 2 52 257 6 PHE HD1 H 7.195 0.020 1 53 257 6 PHE HD2 H 7.195 0.020 1 54 257 6 PHE HE1 H 7.212 0.020 1 55 257 6 PHE HE2 H 7.212 0.020 1 56 257 6 PHE HZ H 7.178 0.020 1 57 257 6 PHE C C 175.074 0.100 1 58 257 6 PHE CA C 57.604 0.100 1 59 257 6 PHE CB C 38.814 0.100 1 60 257 6 PHE CD1 C 131.070 0.100 3 61 257 6 PHE CD2 C 131.070 0.100 3 62 257 6 PHE CE1 C 130.199 0.100 3 63 257 6 PHE CE2 C 130.199 0.100 3 64 257 6 PHE CZ C 128.477 0.100 1 65 257 6 PHE N N 119.002 0.100 1 66 258 7 THR H H 7.911 0.020 1 67 258 7 THR HA H 4.262 0.020 1 68 258 7 THR HB H 4.232 0.020 1 69 258 7 THR HG1 H 4.449 0.020 1 70 258 7 THR HG2 H 1.145 0.020 1 71 258 7 THR C C 173.853 0.100 1 72 258 7 THR CA C 61.787 0.100 1 73 258 7 THR CB C 68.852 0.100 1 74 258 7 THR CG2 C 21.067 0.100 1 75 258 7 THR N N 112.443 0.100 1 76 259 8 CYS H H 8.131 0.020 1 77 259 8 CYS HA H 4.464 0.020 1 78 259 8 CYS HB2 H 2.949 0.020 2 79 259 8 CYS HB3 H 2.949 0.020 2 80 259 8 CYS C C 174.189 0.100 1 81 259 8 CYS CA C 58.389 0.100 1 82 259 8 CYS CB C 27.072 0.100 1 83 259 8 CYS N N 118.815 0.100 1 84 260 9 GLU H H 8.274 0.020 1 85 260 9 GLU HA H 4.185 0.020 1 86 260 9 GLU HB2 H 2.093 0.020 2 87 260 9 GLU HB3 H 1.995 0.020 2 88 260 9 GLU HG2 H 2.357 0.020 2 89 260 9 GLU HG3 H 2.357 0.020 2 90 260 9 GLU C C 175.791 0.100 1 91 260 9 GLU CA C 56.525 0.100 1 92 260 9 GLU CB C 28.113 0.100 1 93 260 9 GLU CG C 33.404 0.100 1 94 260 9 GLU N N 120.821 0.100 1 95 261 10 GLU H H 8.148 0.020 1 96 261 10 GLU HA H 4.048 0.020 1 97 261 10 GLU HB2 H 1.951 0.020 2 98 261 10 GLU HB3 H 1.951 0.020 2 99 261 10 GLU HG2 H 2.303 0.020 2 100 261 10 GLU HG3 H 2.303 0.020 2 101 261 10 GLU C C 175.340 0.100 1 102 261 10 GLU CA C 56.726 0.100 1 103 261 10 GLU CB C 28.009 0.100 1 104 261 10 GLU CG C 33.246 0.100 1 105 261 10 GLU N N 118.841 0.100 1 106 262 11 ASP H H 8.080 0.020 1 107 262 11 ASP HA H 4.442 0.020 1 108 262 11 ASP HB2 H 2.995 0.020 2 109 262 11 ASP HB3 H 2.678 0.020 2 110 262 11 ASP C C 174.856 0.100 1 111 262 11 ASP CA C 53.777 0.100 1 112 262 11 ASP CB C 38.579 0.100 1 113 262 11 ASP N N 117.681 0.100 1 114 263 12 PHE H H 7.867 0.020 1 115 263 12 PHE HA H 4.429 0.020 1 116 263 12 PHE HB2 H 3.000 0.020 2 117 263 12 PHE HB3 H 2.677 0.020 2 118 263 12 PHE HD1 H 7.013 0.020 1 119 263 12 PHE HD2 H 7.013 0.020 1 120 263 12 PHE HE1 H 6.987 0.020 1 121 263 12 PHE HE2 H 6.987 0.020 1 122 263 12 PHE HZ H 6.885 0.020 1 123 263 12 PHE C C 174.408 0.100 1 124 263 12 PHE CA C 57.887 0.100 1 125 263 12 PHE CB C 38.239 0.100 1 126 263 12 PHE CD1 C 131.127 0.100 3 127 263 12 PHE CD2 C 131.127 0.100 3 128 263 12 PHE CE1 C 129.658 0.100 3 129 263 12 PHE CE2 C 129.658 0.100 3 130 263 12 PHE CZ C 127.895 0.100 1 131 263 12 PHE N N 118.283 0.100 1 132 264 13 TYR H H 8.221 0.020 1 133 264 13 TYR HA H 4.681 0.020 1 134 264 13 TYR HB2 H 3.151 0.020 2 135 264 13 TYR HB3 H 3.015 0.020 2 136 264 13 TYR HD1 H 6.931 0.020 1 137 264 13 TYR HD2 H 6.931 0.020 1 138 264 13 TYR HE1 H 6.752 0.020 1 139 264 13 TYR HE2 H 6.752 0.020 1 140 264 13 TYR C C 174.436 0.100 1 141 264 13 TYR CA C 54.535 0.100 1 142 264 13 TYR CB C 36.946 0.100 1 143 264 13 TYR CD1 C 132.110 0.100 3 144 264 13 TYR CD2 C 132.110 0.100 3 145 264 13 TYR CE1 C 117.486 0.100 3 146 264 13 TYR CE2 C 117.486 0.100 3 147 264 13 TYR N N 119.563 0.100 1 148 265 14 PHE H H 8.256 0.020 1 149 265 14 PHE HA H 4.448 0.020 1 150 265 14 PHE HB2 H 3.092 0.020 2 151 265 14 PHE HB3 H 2.971 0.020 2 152 265 14 PHE HD1 H 7.006 0.020 1 153 265 14 PHE HD2 H 7.006 0.020 1 154 265 14 PHE HE1 H 7.019 0.020 1 155 265 14 PHE HE2 H 7.019 0.020 1 156 265 14 PHE HZ H 6.955 0.020 1 157 265 14 PHE CA C 57.646 0.100 1 158 265 14 PHE CB C 40.020 0.100 1 159 265 14 PHE CD1 C 131.800 0.100 3 160 265 14 PHE CD2 C 131.800 0.100 3 161 265 14 PHE CE1 C 130.039 0.100 3 162 265 14 PHE CE2 C 130.039 0.100 3 163 265 14 PHE CZ C 128.303 0.100 1 164 265 14 PHE N N 116.792 0.100 1 165 266 15 PRO HA H 3.973 0.020 1 166 266 15 PRO HB2 H 2.252 0.020 2 167 266 15 PRO HB3 H 1.883 0.020 2 168 266 15 PRO HG2 H 2.267 0.020 2 169 266 15 PRO HG3 H 2.124 0.020 2 170 266 15 PRO HD2 H 2.942 0.020 2 171 266 15 PRO HD3 H 2.879 0.020 2 172 266 15 PRO CA C 64.978 0.100 1 173 266 15 PRO CB C 31.300 0.100 1 174 266 15 PRO CG C 26.136 0.100 1 175 266 15 PRO CD C 50.689 0.100 1 176 267 16 TRP H H 7.841 0.020 1 177 267 16 TRP HA H 4.394 0.020 1 178 267 16 TRP HB2 H 3.258 0.020 2 179 267 16 TRP HB3 H 3.124 0.020 2 180 267 16 TRP HD1 H 7.252 0.020 1 181 267 16 TRP HE1 H 10.112 0.020 1 182 267 16 TRP HE3 H 7.221 0.020 1 183 267 16 TRP HZ2 H 7.335 0.020 1 184 267 16 TRP HZ3 H 6.863 0.020 1 185 267 16 TRP HH2 H 6.991 0.020 1 186 267 16 TRP C C 177.058 0.100 1 187 267 16 TRP CA C 58.753 0.100 1 188 267 16 TRP CB C 28.661 0.100 1 189 267 16 TRP CD1 C 125.941 0.100 1 190 267 16 TRP CE3 C 119.308 0.100 1 191 267 16 TRP CZ2 C 113.738 0.100 1 192 267 16 TRP CZ3 C 120.380 0.100 1 193 267 16 TRP CH2 C 123.243 0.100 1 194 267 16 TRP NE1 N 128.806 0.100 1 195 268 17 LEU H H 7.997 0.020 1 196 268 17 LEU HA H 3.976 0.020 1 197 268 17 LEU HB2 H 1.581 0.020 1 198 268 17 LEU HB3 H 1.510 0.020 1 199 268 17 LEU HG H 1.435 0.020 1 200 268 17 LEU HD1 H 0.889 0.020 2 201 268 17 LEU HD2 H 0.892 0.020 2 202 268 17 LEU C C 177.412 0.100 1 203 268 17 LEU CA C 57.295 0.100 1 204 268 17 LEU CB C 41.266 0.100 1 205 268 17 LEU CG C 25.942 0.100 1 206 268 17 LEU CD1 C 24.638 0.100 1 207 268 17 LEU CD2 C 23.724 0.100 1 208 268 17 LEU N N 118.327 0.100 1 209 269 18 LEU H H 7.679 0.020 1 210 269 18 LEU HA H 3.765 0.020 1 211 269 18 LEU HB2 H 1.643 0.020 2 212 269 18 LEU HB3 H 1.348 0.020 2 213 269 18 LEU HG H 1.647 0.020 1 214 269 18 LEU HD1 H 0.688 0.020 2 215 269 18 LEU HD2 H 0.667 0.020 2 216 269 18 LEU C C 177.108 0.100 1 217 269 18 LEU CA C 57.275 0.100 1 218 269 18 LEU CB C 40.746 0.100 1 219 269 18 LEU CG C 26.341 0.100 1 220 269 18 LEU CD1 C 24.454 0.100 1 221 269 18 LEU CD2 C 22.971 0.100 1 222 269 18 LEU N N 116.556 0.100 1 223 270 19 ILE H H 7.679 0.020 1 224 270 19 ILE HA H 3.663 0.020 1 225 270 19 ILE HB H 2.064 0.020 1 226 270 19 ILE HG12 H 1.697 0.020 2 227 270 19 ILE HG13 H 1.066 0.020 2 228 270 19 ILE HG2 H 0.977 0.020 1 229 270 19 ILE HD1 H 0.640 0.020 1 230 270 19 ILE C C 176.770 0.100 1 231 270 19 ILE CA C 64.560 0.100 1 232 270 19 ILE CB C 36.867 0.100 1 233 270 19 ILE CG1 C 28.817 0.100 1 234 270 19 ILE CG2 C 17.342 0.100 1 235 270 19 ILE CD1 C 12.262 0.100 1 236 270 19 ILE N N 117.509 0.100 1 237 271 20 ILE H H 7.893 0.020 1 238 271 20 ILE HA H 3.624 0.020 1 239 271 20 ILE HB H 1.813 0.020 1 240 271 20 ILE HG12 H 1.690 0.020 2 241 271 20 ILE HG13 H 0.989 0.020 2 242 271 20 ILE HG2 H 0.864 0.020 1 243 271 20 ILE HD1 H 0.833 0.020 1 244 271 20 ILE C C 176.715 0.100 1 245 271 20 ILE CA C 64.610 0.100 1 246 271 20 ILE CB C 36.474 0.100 1 247 271 20 ILE CG1 C 28.532 0.100 1 248 271 20 ILE CG2 C 16.678 0.100 1 249 271 20 ILE CD1 C 12.504 0.100 1 250 271 20 ILE N N 119.301 0.100 1 251 272 21 ILE H H 8.209 0.020 1 252 272 21 ILE HA H 3.542 0.020 1 253 272 21 ILE HB H 1.797 0.020 1 254 272 21 ILE HG12 H 1.662 0.020 2 255 272 21 ILE HG13 H 0.976 0.020 2 256 272 21 ILE HG2 H 0.588 0.020 1 257 272 21 ILE HD1 H 0.671 0.020 1 258 272 21 ILE C C 176.962 0.100 1 259 272 21 ILE CA C 64.822 0.100 1 260 272 21 ILE CB C 36.962 0.100 1 261 272 21 ILE CG1 C 28.891 0.100 1 262 272 21 ILE CG2 C 16.175 0.100 1 263 272 21 ILE CD1 C 12.201 0.100 1 264 272 21 ILE N N 119.313 0.100 1 265 273 22 PHE H H 8.535 0.020 1 266 273 22 PHE HA H 4.290 0.020 1 267 273 22 PHE HB2 H 3.225 0.020 1 268 273 22 PHE HB3 H 3.121 0.020 1 269 273 22 PHE HD1 H 7.109 0.020 1 270 273 22 PHE HD2 H 7.109 0.020 1 271 273 22 PHE HE1 H 7.096 0.020 1 272 273 22 PHE HE2 H 7.096 0.020 1 273 273 22 PHE HZ H 7.003 0.020 1 274 273 22 PHE C C 177.755 0.100 1 275 273 22 PHE CA C 60.954 0.100 1 276 273 22 PHE CB C 37.800 0.100 1 277 273 22 PHE CD1 C 130.827 0.100 3 278 273 22 PHE CD2 C 130.827 0.100 3 279 273 22 PHE CE1 C 130.062 0.100 3 280 273 22 PHE CE2 C 130.062 0.100 3 281 273 22 PHE CZ C 127.656 0.100 1 282 273 22 PHE N N 118.162 0.100 1 283 274 23 GLY H H 8.769 0.020 1 284 274 23 GLY HA2 H 3.827 0.020 2 285 274 23 GLY HA3 H 3.940 0.020 2 286 274 23 GLY C C 178.413 0.100 1 287 274 23 GLY CA C 46.631 0.100 1 288 274 23 GLY N N 109.350 0.100 1 289 275 24 ILE H H 8.613 0.020 1 290 275 24 ILE HA H 3.632 0.020 1 291 275 24 ILE HB H 1.944 0.020 1 292 275 24 ILE HG12 H 1.780 0.020 2 293 275 24 ILE HG13 H 0.910 0.020 2 294 275 24 ILE HG2 H 0.758 0.020 1 295 275 24 ILE HD1 H 0.695 0.020 1 296 275 24 ILE C C 174.291 0.100 1 297 275 24 ILE CA C 64.591 0.100 1 298 275 24 ILE CB C 36.574 0.100 1 299 275 24 ILE CG1 C 28.329 0.100 1 300 275 24 ILE CG2 C 16.246 0.100 1 301 275 24 ILE CD1 C 12.404 0.100 1 302 275 24 ILE N N 122.254 0.100 1 303 276 25 PHE H H 8.597 0.020 1 304 276 25 PHE HA H 4.184 0.020 1 305 276 25 PHE HB2 H 3.151 0.020 2 306 276 25 PHE HB3 H 3.118 0.020 2 307 276 25 PHE HD1 H 7.133 0.020 1 308 276 25 PHE HD2 H 7.133 0.020 1 309 276 25 PHE HE1 H 7.013 0.020 1 310 276 25 PHE HE2 H 7.013 0.020 1 311 276 25 PHE HZ H 6.980 0.020 1 312 276 25 PHE C C 176.296 0.100 1 313 276 25 PHE CA C 60.826 0.100 1 314 276 25 PHE CB C 38.652 0.100 1 315 276 25 PHE CD1 C 130.827 0.100 3 316 276 25 PHE CD2 C 130.827 0.100 3 317 276 25 PHE CE1 C 129.667 0.100 3 318 276 25 PHE CE2 C 129.667 0.100 3 319 276 25 PHE CZ C 128.135 0.100 1 320 276 25 PHE N N 122.123 0.100 1 321 277 26 GLY H H 9.016 0.020 1 322 277 26 GLY HA2 H 3.482 0.020 2 323 277 26 GLY HA3 H 3.575 0.020 2 324 277 26 GLY C C 174.211 0.100 1 325 277 26 GLY CA C 47.019 0.100 1 326 277 26 GLY N N 106.938 0.100 1 327 278 27 LEU H H 8.395 0.020 1 328 278 27 LEU HA H 3.870 0.020 1 329 278 27 LEU HB2 H 1.673 0.020 2 330 278 27 LEU HB3 H 1.624 0.020 2 331 278 27 LEU HG H 1.537 0.020 1 332 278 27 LEU HD1 H 0.615 0.020 2 333 278 27 LEU HD2 H 0.618 0.020 2 334 278 27 LEU C C 177.186 0.100 1 335 278 27 LEU CA C 57.496 0.100 1 336 278 27 LEU CB C 40.988 0.100 1 337 278 27 LEU CG C 26.129 0.100 1 338 278 27 LEU CD1 C 23.754 0.100 1 339 278 27 LEU CD2 C 23.493 0.100 1 340 278 27 LEU N N 121.488 0.100 1 341 279 28 THR H H 8.032 0.020 1 342 279 28 THR HA H 3.622 0.020 1 343 279 28 THR HB H 4.177 0.020 1 344 279 28 THR HG1 H 4.000 0.020 1 345 279 28 THR HG2 H 1.034 0.020 1 346 279 28 THR C C 175.495 0.100 1 347 279 28 THR CA C 67.603 0.100 1 348 279 28 THR CB C 66.972 0.100 1 349 279 28 THR CG2 C 20.796 0.100 1 350 279 28 THR N N 115.572 0.100 1 351 280 29 VAL H H 8.104 0.020 1 352 280 29 VAL HA H 3.455 0.020 1 353 280 29 VAL HB H 2.085 0.020 1 354 280 29 VAL HG1 H 0.800 0.020 2 355 280 29 VAL HG2 H 0.604 0.020 2 356 280 29 VAL C C 176.846 0.100 1 357 280 29 VAL CA C 66.689 0.100 1 358 280 29 VAL CB C 30.583 0.100 1 359 280 29 VAL CG1 C 20.946 0.100 1 360 280 29 VAL CG2 C 22.335 0.100 1 361 280 29 VAL N N 120.148 0.100 1 362 281 30 MET H H 8.057 0.020 1 363 281 30 MET HA H 3.970 0.020 1 364 281 30 MET HB2 H 1.968 0.020 2 365 281 30 MET HB3 H 1.968 0.020 2 366 281 30 MET HG2 H 2.253 0.020 2 367 281 30 MET HG3 H 2.253 0.020 2 368 281 30 MET HE H 1.703 0.020 1 369 281 30 MET C C 177.023 0.100 1 370 281 30 MET CA C 58.787 0.100 1 371 281 30 MET CB C 26.615 0.100 1 372 281 30 MET CG C 34.726 0.100 1 373 281 30 MET CE C 16.329 0.100 1 374 281 30 MET N N 117.433 0.100 1 375 282 31 LEU H H 8.487 0.020 1 376 282 31 LEU HA H 4.018 0.020 1 377 282 31 LEU HB2 H 1.816 0.020 2 378 282 31 LEU HB3 H 1.702 0.020 2 379 282 31 LEU HG H 1.696 0.020 1 380 282 31 LEU HD1 H 0.769 0.020 2 381 282 31 LEU HD2 H 0.772 0.020 2 382 282 31 LEU C C 177.843 0.100 1 383 282 31 LEU CA C 57.691 0.100 1 384 282 31 LEU CB C 40.836 0.100 1 385 282 31 LEU CG C 26.252 0.100 1 386 282 31 LEU CD1 C 24.805 0.100 2 387 282 31 LEU CD2 C 23.685 0.100 2 388 282 31 LEU N N 118.984 0.100 1 389 283 32 PHE H H 8.458 0.020 1 390 283 32 PHE HA H 4.182 0.020 1 391 283 32 PHE HB2 H 3.057 0.020 2 392 283 32 PHE HB3 H 3.147 0.020 2 393 283 32 PHE HD1 H 7.115 0.020 1 394 283 32 PHE HD2 H 7.115 0.020 1 395 283 32 PHE HE1 H 7.095 0.020 1 396 283 32 PHE HE2 H 7.095 0.020 1 397 283 32 PHE HZ H 7.067 0.020 1 398 283 32 PHE C C 176.773 0.100 1 399 283 32 PHE CA C 61.600 0.100 1 400 283 32 PHE CB C 37.713 0.100 1 401 283 32 PHE CD1 C 130.470 0.100 3 402 283 32 PHE CD2 C 130.470 0.100 3 403 283 32 PHE CE1 C 129.275 0.100 3 404 283 32 PHE CE2 C 129.275 0.100 3 405 283 32 PHE CZ C 128.317 0.100 1 406 283 32 PHE N N 118.628 0.100 1 407 284 33 VAL H H 8.632 0.020 1 408 284 33 VAL HA H 3.502 0.020 1 409 284 33 VAL HB H 2.230 0.020 1 410 284 33 VAL HG1 H 0.835 0.020 2 411 284 33 VAL HG2 H 1.096 0.020 2 412 284 33 VAL C C 177.415 0.100 1 413 284 33 VAL CA C 66.435 0.100 1 414 284 33 VAL CB C 30.659 0.100 1 415 284 33 VAL CG1 C 20.988 0.100 1 416 284 33 VAL CG2 C 22.539 0.100 1 417 284 33 VAL N N 118.770 0.100 1 418 285 34 PHE H H 8.468 0.020 1 419 285 34 PHE HA H 4.210 0.020 1 420 285 34 PHE HB2 H 3.141 0.020 2 421 285 34 PHE HB3 H 3.206 0.020 2 422 285 34 PHE HD1 H 7.141 0.020 1 423 285 34 PHE HD2 H 7.141 0.020 1 424 285 34 PHE HE1 H 7.138 0.020 1 425 285 34 PHE HE2 H 7.138 0.020 1 426 285 34 PHE HZ H 7.130 0.020 1 427 285 34 PHE C C 176.511 0.100 1 428 285 34 PHE CA C 60.711 0.100 1 429 285 34 PHE CB C 38.208 0.100 1 430 285 34 PHE CD1 C 130.471 0.100 3 431 285 34 PHE CD2 C 130.471 0.100 3 432 285 34 PHE CE1 C 129.434 0.100 3 433 285 34 PHE CE2 C 129.434 0.100 3 434 285 34 PHE CZ C 128.385 0.100 1 435 285 34 PHE N N 119.287 0.100 1 436 286 35 LEU H H 8.527 0.020 1 437 286 35 LEU HA H 3.904 0.020 1 438 286 35 LEU HB2 H 1.714 0.020 2 439 286 35 LEU HB3 H 1.237 0.020 2 440 286 35 LEU HG H 1.803 0.020 1 441 286 35 LEU HD1 H 0.838 0.020 2 442 286 35 LEU HD2 H 0.783 0.020 2 443 286 35 LEU C C 178.068 0.100 1 444 286 35 LEU CA C 56.808 0.100 1 445 286 35 LEU CB C 41.558 0.100 1 446 286 35 LEU CG C 26.237 0.100 1 447 286 35 LEU CD1 C 24.072 0.100 1 448 286 35 LEU CD2 C 22.504 0.100 1 449 286 35 LEU N N 118.071 0.100 1 450 287 36 PHE H H 8.451 0.020 1 451 287 36 PHE HA H 4.301 0.020 1 452 287 36 PHE HB2 H 3.062 0.020 1 453 287 36 PHE HB3 H 2.810 0.020 1 454 287 36 PHE HD1 H 7.128 0.020 1 455 287 36 PHE HD2 H 7.128 0.020 1 456 287 36 PHE HE1 H 7.118 0.020 1 457 287 36 PHE HE2 H 7.118 0.020 1 458 287 36 PHE HZ H 7.095 0.020 1 459 287 36 PHE C C 176.370 0.100 1 460 287 36 PHE CA C 59.310 0.100 1 461 287 36 PHE CB C 38.587 0.100 1 462 287 36 PHE CD1 C 130.826 0.100 3 463 287 36 PHE CD2 C 130.826 0.100 3 464 287 36 PHE CE1 C 129.320 0.100 3 465 287 36 PHE CE2 C 129.320 0.100 3 466 287 36 PHE CZ C 128.333 0.100 1 467 287 36 PHE N N 117.435 0.100 1 468 288 37 SER H H 7.953 0.020 1 469 288 37 SER HA H 4.172 0.020 1 470 288 37 SER HB2 H 3.914 0.020 1 471 288 37 SER HB3 H 3.870 0.020 1 472 288 37 SER HG H 4.574 0.020 1 473 288 37 SER C C 174.369 0.100 1 474 288 37 SER CA C 59.941 0.100 1 475 288 37 SER CB C 62.773 0.100 1 476 288 37 SER N N 114.233 0.100 1 477 289 38 LYS H H 7.726 0.020 1 478 289 38 LYS HA H 4.130 0.020 1 479 289 38 LYS HB2 H 1.751 0.020 2 480 289 38 LYS HB3 H 1.663 0.020 2 481 289 38 LYS HG2 H 1.243 0.020 2 482 289 38 LYS HG3 H 1.243 0.020 2 483 289 38 LYS HD2 H 1.493 0.020 2 484 289 38 LYS HD3 H 1.493 0.020 2 485 289 38 LYS HE2 H 2.841 0.020 2 486 289 38 LYS HE3 H 2.841 0.020 2 487 289 38 LYS C C 176.199 0.100 1 488 289 38 LYS CA C 55.937 0.100 1 489 289 38 LYS CB C 31.561 0.100 1 490 289 38 LYS CG C 23.641 0.100 1 491 289 38 LYS CD C 28.028 0.100 1 492 289 38 LYS CE C 41.230 0.100 1 493 289 38 LYS N N 120.475 0.100 1 494 290 39 GLN H H 7.814 0.020 1 495 290 39 GLN HA H 4.143 0.020 1 496 290 39 GLN HB2 H 1.916 0.020 2 497 290 39 GLN HB3 H 1.867 0.020 2 498 290 39 GLN HG2 H 2.310 0.020 2 499 290 39 GLN HG3 H 2.268 0.020 2 500 290 39 GLN HE21 H 7.337 0.020 2 501 290 39 GLN HE22 H 6.731 0.020 2 502 290 39 GLN C C 175.137 0.100 1 503 290 39 GLN CA C 55.563 0.100 1 504 290 39 GLN CB C 28.269 0.100 1 505 290 39 GLN CG C 32.986 0.100 1 506 290 39 GLN N N 118.451 0.100 1 507 290 39 GLN NE2 N 111.622 0.100 1 508 291 40 GLN H H 8.093 0.020 1 509 291 40 GLN HA H 4.182 0.020 1 510 291 40 GLN HB2 H 2.024 0.020 2 511 291 40 GLN HB3 H 1.870 0.020 2 512 291 40 GLN HG2 H 2.210 0.020 2 513 291 40 GLN HG3 H 2.112 0.020 2 514 291 40 GLN HE21 H 7.335 0.020 2 515 291 40 GLN HE22 H 6.725 0.020 2 516 291 40 GLN C C 174.806 0.100 1 517 291 40 GLN CA C 55.125 0.100 1 518 291 40 GLN CB C 28.540 0.100 1 519 291 40 GLN CG C 33.042 0.100 1 520 291 40 GLN N N 119.358 0.100 1 521 291 40 GLN NE2 N 112.024 0.100 1 522 292 41 ARG H H 8.054 0.020 1 523 292 41 ARG HA H 4.300 0.020 1 524 292 41 ARG HB2 H 1.824 0.020 2 525 292 41 ARG HB3 H 1.717 0.020 2 526 292 41 ARG HG2 H 1.582 0.020 2 527 292 41 ARG HG3 H 1.553 0.020 2 528 292 41 ARG HD2 H 3.129 0.020 2 529 292 41 ARG HD3 H 3.129 0.020 2 530 292 41 ARG HE H 7.309 0.020 1 531 292 41 ARG C C 175.175 0.100 1 532 292 41 ARG CA C 55.376 0.100 1 533 292 41 ARG CB C 30.193 0.100 1 534 292 41 ARG CG C 26.509 0.100 1 535 292 41 ARG CD C 42.591 0.100 1 536 292 41 ARG N N 120.772 0.100 1 537 292 41 ARG NE N 84.900 0.100 1 538 293 42 ILE H H 8.097 0.020 1 539 293 42 ILE HA H 4.110 0.020 1 540 293 42 ILE HB H 1.844 0.020 1 541 293 42 ILE HG12 H 1.434 0.020 2 542 293 42 ILE HG13 H 1.138 0.020 2 543 293 42 ILE HG2 H 0.870 0.020 1 544 293 42 ILE HD1 H 0.809 0.020 1 545 293 42 ILE C C 174.169 0.100 1 546 293 42 ILE CA C 60.614 0.100 1 547 293 42 ILE CB C 37.936 0.100 1 548 293 42 ILE CG1 C 26.562 0.100 1 549 293 42 ILE CG2 C 16.906 0.100 1 550 293 42 ILE CD1 C 12.272 0.100 1 551 293 42 ILE N N 121.071 0.100 1 552 294 43 LYS H H 7.776 0.020 1 553 294 43 LYS HA H 4.130 0.020 1 554 294 43 LYS HB2 H 1.757 0.020 2 555 294 43 LYS HB3 H 1.669 0.020 2 556 294 43 LYS HG2 H 1.337 0.020 2 557 294 43 LYS HG3 H 1.337 0.020 2 558 294 43 LYS HD2 H 1.623 0.020 2 559 294 43 LYS HD3 H 1.623 0.020 2 560 294 43 LYS HE2 H 2.939 0.020 2 561 294 43 LYS HE3 H 2.939 0.020 2 562 294 43 LYS C C 179.498 0.100 1 563 294 43 LYS CA C 56.544 0.100 1 564 294 43 LYS CB C 33.071 0.100 1 565 294 43 LYS CG C 23.889 0.100 1 566 294 43 LYS CD C 28.445 0.100 1 567 294 43 LYS CE C 41.435 0.100 1 568 294 43 LYS N N 128.109 0.100 1 stop_ save_