data_30137 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the C-terminal transmembrane domain of scavenger receptor BI (SR-BI) ; _BMRB_accession_number 30137 _BMRB_flat_file_name bmr30137.str _Entry_type original _Submission_date 2016-07-11 _Accession_date 2016-07-11 _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 Chadwick A. C. . 2 Peterson F. C. . 3 Volkman B. F. . 4 Sahoo D. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 414 "13C chemical shifts" 284 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-15 update author 'update chemical shift table' 2017-03-02 original author 'original release' stop_ _Original_release_date 2016-11-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the C-terminal transmembrane domain and identification of an extracellular juxtamembrane domain in the high density lipoprotein receptor, scavenger receptor BI (SR-BI) ; _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 Chadwick A. C. . 2 Jensen D. R. . 3 Hanson P. J. . 4 Lange P. T. . 5 Peterson F. C. . 6 Volkman B. F. . 7 Sahoo D. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Scavenger receptor class B member 1' _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 8185.792 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; GSKIEPVVLPLLWFEQSGAM GGKPLSTFYTQLVLMPQVLH YAQYVLLGLGGLLLLVPIIC QLRSQEKCFLFWS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 403 GLY 2 404 SER 3 405 LYS 4 406 ILE 5 407 GLU 6 408 PRO 7 409 VAL 8 410 VAL 9 411 LEU 10 412 PRO 11 413 LEU 12 414 LEU 13 415 TRP 14 416 PHE 15 417 GLU 16 418 GLN 17 419 SER 18 420 GLY 19 421 ALA 20 422 MET 21 423 GLY 22 424 GLY 23 425 LYS 24 426 PRO 25 427 LEU 26 428 SER 27 429 THR 28 430 PHE 29 431 TYR 30 432 THR 31 433 GLN 32 434 LEU 33 435 VAL 34 436 LEU 35 437 MET 36 438 PRO 37 439 GLN 38 440 VAL 39 441 LEU 40 442 HIS 41 443 TYR 42 444 ALA 43 445 GLN 44 446 TYR 45 447 VAL 46 448 LEU 47 449 LEU 48 450 GLY 49 451 LEU 50 452 GLY 51 453 GLY 52 454 LEU 53 455 LEU 54 456 LEU 55 457 LEU 56 458 VAL 57 459 PRO 58 460 ILE 59 461 ILE 60 462 CYS 61 463 GLN 62 464 LEU 63 465 ARG 64 466 SER 65 467 GLN 66 468 GLU 67 469 LYS 68 470 CYS 69 471 PHE 70 472 LEU 71 473 PHE 72 474 TRP 73 475 SER 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 Mouse 10090 Eukaryota Metazoa Mus musculus 'Scarb1, Srb1' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21-[pREP4] plasmid pQE30-SMT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '1 mM [U-99% 13C; U-99% 15N] scavenger receptor BI (SR-BI), 5.0 w/v [U-2H] LPPG, 0.02 w/v sodium azide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling LPPG 5.0 w/v [U-2H] $entity_1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium azide' 0.02 w/v 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' 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 TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 pH 6.8 . 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 0.000 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_ _Software_label $software_5 stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 1 404 2 SER H H 8.184 0.020 1 2 404 2 SER HA H 4.637 0.020 1 3 404 2 SER HB2 H 4.014 0.020 2 4 404 2 SER HB3 H 3.884 0.020 2 5 404 2 SER C C 174.707 0.100 1 6 404 2 SER CA C 58.693 0.100 1 7 404 2 SER CB C 64.841 0.100 1 8 404 2 SER N N 121.014 0.100 1 9 405 3 LYS H H 8.666 0.020 1 10 405 3 LYS HA H 4.367 0.020 1 11 405 3 LYS HB2 H 1.919 0.020 2 12 405 3 LYS HB3 H 1.855 0.020 2 13 405 3 LYS HG2 H 1.555 0.020 1 14 405 3 LYS HG3 H 1.555 0.020 1 15 405 3 LYS HD2 H 1.756 0.020 2 16 405 3 LYS HD3 H 1.689 0.020 2 17 405 3 LYS HE2 H 3.055 0.020 1 18 405 3 LYS HE3 H 3.017 0.020 1 19 405 3 LYS C C 176.350 0.100 1 20 405 3 LYS CA C 57.853 0.100 1 21 405 3 LYS CB C 33.690 0.100 1 22 405 3 LYS CG C 25.366 0.100 1 23 405 3 LYS CD C 29.249 0.100 1 24 405 3 LYS CE C 42.191 0.100 1 25 405 3 LYS N N 123.521 0.100 1 26 406 4 ILE H H 7.884 0.020 1 27 406 4 ILE HA H 4.295 0.020 1 28 406 4 ILE HB H 1.944 0.020 1 29 406 4 ILE HG12 H 1.522 0.020 2 30 406 4 ILE HG13 H 1.250 0.020 2 31 406 4 ILE HG2 H 0.934 0.020 1 32 406 4 ILE HD1 H 0.908 0.020 1 33 406 4 ILE C C 175.987 0.100 1 34 406 4 ILE CA C 61.281 0.100 1 35 406 4 ILE CB C 39.423 0.100 1 36 406 4 ILE CG1 C 27.954 0.100 1 37 406 4 ILE CG2 C 18.571 0.100 1 38 406 4 ILE CD1 C 13.717 0.100 1 39 406 4 ILE N N 116.110 0.100 1 40 407 5 GLU H H 8.009 0.020 1 41 407 5 GLU HA H 4.359 0.020 1 42 407 5 GLU HB2 H 2.139 0.020 2 43 407 5 GLU HB3 H 2.139 0.020 2 44 407 5 GLU HG2 H 2.361 0.020 1 45 407 5 GLU HG3 H 2.361 0.020 1 46 407 5 GLU CA C 58.693 0.100 1 47 407 5 GLU CB C 29.249 0.100 1 48 407 5 GLU CG C 36.691 0.100 1 49 407 5 GLU N N 124.306 0.100 1 50 408 6 PRO HA H 4.399 0.020 1 51 408 6 PRO HB2 H 2.341 0.020 2 52 408 6 PRO HB3 H 1.877 0.020 2 53 408 6 PRO HG2 H 2.060 0.020 2 54 408 6 PRO HD2 H 3.691 0.020 2 55 408 6 PRO HD3 H 3.799 0.020 2 56 408 6 PRO C C 176.657 0.100 1 57 408 6 PRO CA C 65.434 0.100 1 58 408 6 PRO CB C 32.808 0.100 1 59 408 6 PRO CG C 28.602 0.100 1 60 408 6 PRO CD C 50.604 0.100 1 61 409 7 VAL H H 7.479 0.020 1 62 409 7 VAL HA H 3.937 0.020 1 63 409 7 VAL HB H 2.199 0.020 1 64 409 7 VAL HG1 H 0.925 0.020 1 65 409 7 VAL C C 175.325 0.100 1 66 409 7 VAL CA C 63.870 0.100 1 67 409 7 VAL CB C 32.465 0.100 1 68 409 7 VAL CG1 C 21.807 0.100 1 69 409 7 VAL N N 112.908 0.100 1 70 410 8 VAL H H 7.603 0.020 1 71 410 8 VAL HA H 4.085 0.020 1 72 410 8 VAL HB H 2.258 0.020 1 73 410 8 VAL HG1 H 1.027 0.020 2 74 410 8 VAL HG2 H 1.021 0.020 2 75 410 8 VAL C C 177.085 0.100 1 76 410 8 VAL CA C 63.546 0.100 1 77 410 8 VAL CB C 32.980 0.100 1 78 410 8 VAL CG2 C 22.130 0.100 1 79 410 8 VAL N N 115.875 0.100 1 80 411 9 LEU H H 7.931 0.020 1 81 411 9 LEU HA H 4.281 0.020 1 82 411 9 LEU HB2 H 1.409 0.020 2 83 411 9 LEU HB3 H 1.832 0.020 2 84 411 9 LEU HG H 1.702 0.020 1 85 411 9 LEU HD1 H 0.973 0.020 2 86 411 9 LEU HD2 H 0.916 0.020 2 87 411 9 LEU CA C 58.369 0.100 1 88 411 9 LEU CB C 40.573 0.100 1 89 411 9 LEU N N 121.711 0.100 1 90 412 10 PRO HA H 4.360 0.020 1 91 412 10 PRO HB2 H 2.224 0.020 1 92 412 10 PRO HB3 H 2.224 0.020 1 93 412 10 PRO HD2 H 3.604 0.020 1 94 412 10 PRO HD3 H 3.604 0.020 1 95 412 10 PRO C C 177.602 0.100 1 96 412 10 PRO CA C 65.488 0.100 1 97 412 10 PRO CB C 31.514 0.100 1 98 412 10 PRO CD C 50.280 0.100 1 99 413 11 LEU H H 7.437 0.020 1 100 413 11 LEU HA H 4.262 0.020 1 101 413 11 LEU HB2 H 1.919 0.020 1 102 413 11 LEU HB3 H 1.919 0.020 1 103 413 11 LEU HG H 1.865 0.020 1 104 413 11 LEU HD1 H 1.009 0.020 1 105 413 11 LEU HD2 H 1.010 0.020 1 106 413 11 LEU C C 178.820 0.100 1 107 413 11 LEU CA C 58.046 0.100 1 108 413 11 LEU CB C 42.162 0.100 1 109 413 11 LEU CG C 27.954 0.100 1 110 413 11 LEU CD1 C 25.690 0.100 1 111 413 11 LEU CD2 C 25.042 0.100 1 112 413 11 LEU N N 116.795 0.100 1 113 414 12 LEU H H 8.018 0.020 1 114 414 12 LEU HA H 4.190 0.020 1 115 414 12 LEU HB2 H 1.823 0.020 1 116 414 12 LEU HB3 H 1.823 0.020 1 117 414 12 LEU HG H 1.655 0.020 1 118 414 12 LEU HD1 H 0.949 0.020 1 119 414 12 LEU C C 176.772 0.100 1 120 414 12 LEU CA C 58.191 0.100 1 121 414 12 LEU CB C 42.206 0.100 1 122 414 12 LEU N N 119.549 0.100 1 123 415 13 TRP H H 7.942 0.020 1 124 415 13 TRP HA H 4.425 0.020 1 125 415 13 TRP HB2 H 3.347 0.020 2 126 415 13 TRP HB3 H 3.249 0.020 2 127 415 13 TRP HD1 H 7.166 0.020 1 128 415 13 TRP HE1 H 10.089 0.020 1 129 415 13 TRP HE3 H 7.391 0.020 1 130 415 13 TRP HZ2 H 7.441 0.020 1 131 415 13 TRP HZ3 H 6.944 0.020 1 132 415 13 TRP HH2 H 7.092 0.020 1 133 415 13 TRP C C 178.627 0.100 1 134 415 13 TRP CA C 58.369 0.100 1 135 415 13 TRP CB C 28.925 0.100 1 136 415 13 TRP CD1 C 126.612 0.100 1 137 415 13 TRP CE3 C 120.917 0.100 1 138 415 13 TRP CZ2 C 114.964 0.100 1 139 415 13 TRP CZ3 C 121.435 0.100 1 140 415 13 TRP CH2 C 124.282 0.100 1 141 415 13 TRP N N 119.385 0.100 1 142 415 13 TRP NE1 N 138.221 0.100 1 143 416 14 PHE H H 8.171 0.020 1 144 416 14 PHE HA H 4.107 0.020 1 145 416 14 PHE HB2 H 3.304 0.020 1 146 416 14 PHE HB3 H 3.304 0.020 1 147 416 14 PHE C C 178.014 0.100 1 148 416 14 PHE CA C 61.069 0.100 1 149 416 14 PHE CB C 39.920 0.100 1 150 416 14 PHE N N 118.984 0.100 1 151 417 15 GLU H H 8.274 0.020 1 152 417 15 GLU HA H 4.090 0.020 1 153 417 15 GLU HB2 H 2.226 0.020 2 154 417 15 GLU HB3 H 2.277 0.020 2 155 417 15 GLU HG2 H 2.554 0.020 2 156 417 15 GLU HG3 H 2.408 0.020 2 157 417 15 GLU C C 178.224 0.100 1 158 417 15 GLU CA C 59.243 0.100 1 159 417 15 GLU CB C 29.678 0.100 1 160 417 15 GLU CG C 35.720 0.100 1 161 417 15 GLU N N 119.767 0.100 1 162 418 16 GLN H H 8.136 0.020 1 163 418 16 GLN HA H 4.247 0.020 1 164 418 16 GLN HB2 H 2.192 0.020 2 165 418 16 GLN HB3 H 2.143 0.020 2 166 418 16 GLN HG2 H 2.552 0.020 2 167 418 16 GLN HG3 H 2.445 0.020 2 168 418 16 GLN C C 177.303 0.100 1 169 418 16 GLN CA C 57.506 0.100 1 170 418 16 GLN CB C 29.588 0.100 1 171 418 16 GLN CG C 34.426 0.100 1 172 418 16 GLN N N 117.588 0.100 1 173 419 17 SER H H 7.884 0.020 1 174 419 17 SER HA H 4.182 0.020 1 175 419 17 SER HB2 H 3.717 0.020 2 176 419 17 SER HB3 H 3.592 0.020 2 177 419 17 SER C C 175.699 0.100 1 178 419 17 SER CA C 60.612 0.100 1 179 419 17 SER CB C 64.517 0.100 1 180 419 17 SER N N 114.799 0.100 1 181 420 18 GLY H H 7.963 0.020 1 182 420 18 GLY HA2 H 4.007 0.020 2 183 420 18 GLY HA3 H 3.966 0.020 2 184 420 18 GLY C C 175.123 0.100 1 185 420 18 GLY CA C 46.074 0.100 1 186 420 18 GLY N N 109.831 0.100 1 187 421 19 ALA H H 7.869 0.020 1 188 421 19 ALA HA H 4.125 0.020 1 189 421 19 ALA HB H 1.298 0.020 1 190 421 19 ALA C C 178.038 0.100 1 191 421 19 ALA CA C 54.071 0.100 1 192 421 19 ALA CB C 19.554 0.100 1 193 421 19 ALA N N 122.912 0.100 1 194 422 20 MET H H 8.135 0.020 1 195 422 20 MET HA H 4.433 0.020 1 196 422 20 MET HB2 H 2.569 0.020 2 197 422 20 MET HB3 H 2.472 0.020 2 198 422 20 MET HG2 H 2.222 0.020 2 199 422 20 MET HG3 H 2.039 0.020 2 200 422 20 MET HE H 2.067 0.020 1 201 422 20 MET C C 176.944 0.100 1 202 422 20 MET CA C 56.198 0.100 1 203 422 20 MET CB C 32.874 0.100 1 204 422 20 MET CG C 33.131 0.100 1 205 422 20 MET CE C 17.924 0.100 1 206 422 20 MET N N 115.381 0.100 1 207 423 21 GLY H H 8.048 0.020 1 208 423 21 GLY HA2 H 3.990 0.020 2 209 423 21 GLY HA3 H 3.846 0.020 2 210 423 21 GLY C C 175.023 0.100 1 211 423 21 GLY CA C 46.397 0.100 1 212 423 21 GLY N N 107.660 0.100 1 213 424 22 GLY H H 8.191 0.020 1 214 424 22 GLY HA2 H 3.995 0.020 2 215 424 22 GLY HA3 H 3.849 0.020 2 216 424 22 GLY C C 174.394 0.100 1 217 424 22 GLY CA C 46.056 0.100 1 218 424 22 GLY N N 108.013 0.100 1 219 425 23 LYS H H 8.044 0.020 1 220 425 23 LYS HA H 4.652 0.020 1 221 425 23 LYS HB2 H 1.880 0.020 1 222 425 23 LYS HB3 H 1.880 0.020 1 223 425 23 LYS HG2 H 1.514 0.020 1 224 425 23 LYS HG3 H 1.514 0.020 1 225 425 23 LYS HD2 H 1.759 0.020 1 226 425 23 LYS HD3 H 1.759 0.020 1 227 425 23 LYS HE2 H 3.009 0.020 1 228 425 23 LYS HE3 H 3.009 0.020 1 229 425 23 LYS CA C 55.781 0.100 1 230 425 23 LYS CB C 32.484 0.100 1 231 425 23 LYS CD C 28.925 0.100 1 232 425 23 LYS CE C 42.838 0.100 1 233 425 23 LYS N N 120.890 0.100 1 234 426 24 PRO HA H 4.520 0.020 1 235 426 24 PRO HB2 H 2.362 0.020 1 236 426 24 PRO HB3 H 2.362 0.020 1 237 426 24 PRO HG2 H 2.062 0.020 2 238 426 24 PRO HG3 H 1.974 0.020 2 239 426 24 PRO HD2 H 3.797 0.020 2 240 426 24 PRO HD3 H 3.694 0.020 2 241 426 24 PRO C C 178.224 0.100 1 242 426 24 PRO CA C 64.517 0.100 1 243 426 24 PRO CB C 32.161 0.100 1 244 426 24 PRO CG C 28.278 0.100 1 245 426 24 PRO CD C 50.280 0.100 1 246 427 25 LEU H H 8.516 0.020 1 247 427 25 LEU HA H 4.279 0.020 1 248 427 25 LEU HB2 H 1.903 0.020 2 249 427 25 LEU HB3 H 1.696 0.020 2 250 427 25 LEU HD1 H 1.012 0.020 1 251 427 25 LEU C C 178.547 0.100 1 252 427 25 LEU CA C 58.046 0.100 1 253 427 25 LEU CB C 41.868 0.100 1 254 427 25 LEU N N 120.585 0.100 1 255 428 26 SER H H 8.305 0.020 1 256 428 26 SER HA H 4.056 0.020 1 257 428 26 SER HB2 H 3.248 0.020 1 258 428 26 SER HB3 H 3.248 0.020 1 259 428 26 SER C C 176.988 0.100 1 260 428 26 SER CA C 61.605 0.100 1 261 428 26 SER N N 113.186 0.100 1 262 429 27 THR H H 7.969 0.020 1 263 429 27 THR HA H 4.129 0.020 1 264 429 27 THR HB H 4.135 0.020 1 265 429 27 THR HG2 H 1.180 0.020 1 266 429 27 THR C C 176.052 0.100 1 267 429 27 THR CA C 65.488 0.100 1 268 429 27 THR CB C 69.047 0.100 1 269 429 27 THR CG2 C 22.454 0.100 1 270 429 27 THR N N 117.529 0.100 1 271 430 28 PHE H H 7.927 0.020 1 272 430 28 PHE HA H 4.470 0.020 1 273 430 28 PHE HB2 H 3.237 0.020 2 274 430 28 PHE HB3 H 3.119 0.020 2 275 430 28 PHE HD1 H 7.224 0.020 1 276 430 28 PHE HD2 H 7.224 0.020 1 277 430 28 PHE HE1 H 7.255 0.020 1 278 430 28 PHE HE2 H 7.255 0.020 1 279 430 28 PHE HZ H 7.191 0.020 1 280 430 28 PHE C C 176.988 0.100 1 281 430 28 PHE CA C 61.180 0.100 1 282 430 28 PHE CB C 39.968 0.100 1 283 430 28 PHE CD1 C 132.565 0.100 1 284 430 28 PHE CE1 C 131.789 0.100 1 285 430 28 PHE CZ C 129.718 0.100 1 286 430 28 PHE N N 120.628 0.100 1 287 431 29 TYR H H 7.967 0.020 1 288 431 29 TYR HA H 4.229 0.020 1 289 431 29 TYR HB2 H 3.189 0.020 2 290 431 29 TYR HB3 H 3.123 0.020 2 291 431 29 TYR HD1 H 7.207 0.020 1 292 431 29 TYR HD2 H 7.207 0.020 1 293 431 29 TYR HE1 H 6.880 0.020 1 294 431 29 TYR HE2 H 6.880 0.020 1 295 431 29 TYR C C 176.883 0.100 1 296 431 29 TYR CA C 61.267 0.100 1 297 431 29 TYR CB C 38.955 0.100 1 298 431 29 TYR CD1 C 133.083 0.100 1 299 431 29 TYR CE1 C 118.588 0.100 1 300 431 29 TYR N N 117.231 0.100 1 301 432 30 THR H H 7.865 0.020 1 302 432 30 THR HA H 4.325 0.020 1 303 432 30 THR HB H 3.941 0.020 1 304 432 30 THR HG2 H 1.328 0.020 1 305 432 30 THR C C 175.882 0.100 1 306 432 30 THR CA C 69.370 0.100 1 307 432 30 THR CB C 65.822 0.100 1 308 432 30 THR CG2 C 22.454 0.100 1 309 432 30 THR N N 111.488 0.100 1 310 433 31 GLN H H 7.656 0.020 1 311 433 31 GLN HA H 4.240 0.020 1 312 433 31 GLN HB2 H 2.204 0.020 2 313 433 31 GLN HB3 H 2.111 0.020 2 314 433 31 GLN HG2 H 2.456 0.020 1 315 433 31 GLN HG3 H 2.456 0.020 1 316 433 31 GLN C C 177.505 0.100 1 317 433 31 GLN CA C 57.722 0.100 1 318 433 31 GLN CB C 29.184 0.100 1 319 433 31 GLN CG C 34.426 0.100 1 320 433 31 GLN N N 117.686 0.100 1 321 434 32 LEU H H 7.667 0.020 1 322 434 32 LEU HA H 4.226 0.020 1 323 434 32 LEU HB2 H 1.765 0.020 2 324 434 32 LEU HB3 H 1.594 0.020 2 325 434 32 LEU HG H 0.940 0.020 1 326 434 32 LEU HD1 H 0.918 0.020 1 327 434 32 LEU C C 178.062 0.100 1 328 434 32 LEU CA C 57.646 0.100 1 329 434 32 LEU CB C 42.766 0.100 1 330 434 32 LEU CD1 C 25.042 0.100 1 331 434 32 LEU N N 119.043 0.100 1 332 435 33 VAL H H 7.475 0.020 1 333 435 33 VAL HA H 3.936 0.020 1 334 435 33 VAL HB H 2.228 0.020 1 335 435 33 VAL HG1 H 0.946 0.020 2 336 435 33 VAL HG2 H 0.920 0.020 2 337 435 33 VAL C C 175.858 0.100 1 338 435 33 VAL CA C 64.498 0.100 1 339 435 33 VAL CB C 32.161 0.100 1 340 435 33 VAL CG1 C 21.159 0.100 1 341 435 33 VAL N N 113.548 0.100 1 342 436 34 LEU H H 7.358 0.020 1 343 436 34 LEU HA H 4.440 0.020 1 344 436 34 LEU HB2 H 1.831 0.020 2 345 436 34 LEU HB3 H 1.688 0.020 2 346 436 34 LEU HG H 1.789 0.020 1 347 436 34 LEU HD1 H 0.961 0.020 2 348 436 34 LEU HD2 H 0.924 0.020 2 349 436 34 LEU C C 177.901 0.100 1 350 436 34 LEU CA C 55.246 0.100 1 351 436 34 LEU CB C 42.787 0.100 1 352 436 34 LEU CG C 26.660 0.100 1 353 436 34 LEU CD1 C 23.748 0.100 1 354 436 34 LEU CD2 C 23.748 0.100 1 355 436 34 LEU N N 117.774 0.100 1 356 437 35 MET H H 7.774 0.020 1 357 437 35 MET HA H 4.717 0.020 1 358 437 35 MET HB2 H 2.860 0.020 2 359 437 35 MET HB3 H 2.704 0.020 2 360 437 35 MET HG2 H 2.343 0.020 2 361 437 35 MET HG3 H 2.235 0.020 2 362 437 35 MET HE H 2.140 0.020 1 363 437 35 MET CA C 56.428 0.100 1 364 437 35 MET CB C 33.131 0.100 1 365 437 35 MET CG C 32.161 0.100 1 366 437 35 MET CE C 17.924 0.100 1 367 437 35 MET N N 120.488 0.100 1 368 438 36 PRO HA H 4.388 0.020 1 369 438 36 PRO HB2 H 2.339 0.020 2 370 438 36 PRO HB3 H 1.837 0.020 2 371 438 36 PRO HG2 H 2.065 0.020 1 372 438 36 PRO HG3 H 2.065 0.020 1 373 438 36 PRO HD2 H 3.790 0.020 2 374 438 36 PRO HD3 H 3.692 0.020 2 375 438 36 PRO C C 178.959 0.100 1 376 438 36 PRO CA C 65.811 0.100 1 377 438 36 PRO CB C 32.161 0.100 1 378 438 36 PRO CG C 27.954 0.100 1 379 439 37 GLN H H 8.697 0.020 1 380 439 37 GLN HA H 4.210 0.020 1 381 439 37 GLN HB2 H 2.279 0.020 2 382 439 37 GLN HB3 H 2.193 0.020 2 383 439 37 GLN HG2 H 2.553 0.020 2 384 439 37 GLN HG3 H 2.456 0.020 2 385 439 37 GLN C C 178.229 0.100 1 386 439 37 GLN CA C 59.340 0.100 1 387 439 37 GLN CB C 28.925 0.100 1 388 439 37 GLN CG C 34.102 0.100 1 389 439 37 GLN N N 116.345 0.100 1 390 440 38 VAL H H 7.652 0.020 1 391 440 38 VAL HA H 3.872 0.020 1 392 440 38 VAL HB H 2.457 0.020 1 393 440 38 VAL HG1 H 1.173 0.020 2 394 440 38 VAL HG2 H 1.053 0.020 2 395 440 38 VAL C C 177.602 0.100 1 396 440 38 VAL CA C 66.782 0.100 1 397 440 38 VAL CB C 32.161 0.100 1 398 440 38 VAL CG2 C 22.130 0.100 1 399 440 38 VAL N N 118.347 0.100 1 400 441 39 LEU H H 7.921 0.020 1 401 441 39 LEU HA H 4.229 0.020 1 402 441 39 LEU HB2 H 1.863 0.020 2 403 441 39 LEU HB3 H 1.673 0.020 2 404 441 39 LEU HD1 H 0.926 0.020 1 405 441 39 LEU C C 179.031 0.100 1 406 441 39 LEU CA C 58.369 0.100 1 407 441 39 LEU CB C 41.895 0.100 1 408 441 39 LEU CD1 C 24.395 0.100 1 409 441 39 LEU N N 118.443 0.100 1 410 442 40 HIS H H 7.956 0.020 1 411 442 40 HIS HA H 4.808 0.020 1 412 442 40 HIS HB2 H 3.315 0.020 2 413 442 40 HIS HB3 H 3.227 0.020 2 414 442 40 HIS HD2 H 6.491 0.020 1 415 442 40 HIS HE1 H 8.547 0.020 1 416 442 40 HIS C C 177.124 0.100 1 417 442 40 HIS CA C 58.693 0.100 1 418 442 40 HIS CB C 29.249 0.100 1 419 442 40 HIS CD2 C 119.882 0.100 1 420 442 40 HIS CE1 C 137.483 0.100 1 421 442 40 HIS N N 116.580 0.100 1 422 443 41 TYR H H 7.908 0.020 1 423 443 41 TYR HA H 4.106 0.020 1 424 443 41 TYR HB2 H 3.289 0.020 1 425 443 41 TYR HB3 H 3.289 0.020 1 426 443 41 TYR HD1 H 6.997 0.020 1 427 443 41 TYR HD2 H 6.997 0.020 1 428 443 41 TYR HE1 H 6.768 0.020 1 429 443 41 TYR HE2 H 6.768 0.020 1 430 443 41 TYR C C 178.022 0.100 1 431 443 41 TYR CA C 61.281 0.100 1 432 443 41 TYR CB C 38.955 0.100 1 433 443 41 TYR CD1 C 133.083 0.100 1 434 443 41 TYR CE1 C 118.588 0.100 1 435 443 41 TYR N N 116.729 0.100 1 436 444 42 ALA H H 8.529 0.020 1 437 444 42 ALA HA H 4.079 0.020 1 438 444 42 ALA HB H 1.590 0.020 1 439 444 42 ALA C C 179.152 0.100 1 440 444 42 ALA CA C 56.074 0.100 1 441 444 42 ALA CB C 18.881 0.100 1 442 444 42 ALA N N 121.447 0.100 1 443 445 43 GLN H H 7.985 0.020 1 444 445 43 GLN HA H 3.994 0.020 1 445 445 43 GLN HB2 H 2.150 0.020 2 446 445 43 GLN HB3 H 2.074 0.020 2 447 445 43 GLN HG2 H 2.263 0.020 2 448 445 43 GLN HG3 H 2.228 0.020 2 449 445 43 GLN C C 178.070 0.100 1 450 445 43 GLN CA C 59.340 0.100 1 451 445 43 GLN CB C 28.916 0.100 1 452 445 43 GLN CG C 34.426 0.100 1 453 445 43 GLN N N 114.977 0.100 1 454 446 44 TYR H H 7.605 0.020 1 455 446 44 TYR HA H 4.326 0.020 1 456 446 44 TYR HB2 H 3.202 0.020 2 457 446 44 TYR HB3 H 3.108 0.020 2 458 446 44 TYR HD1 H 7.173 0.020 1 459 446 44 TYR HD2 H 7.173 0.020 1 460 446 44 TYR HE1 H 6.751 0.020 1 461 446 44 TYR HE2 H 6.751 0.020 1 462 446 44 TYR C C 178.224 0.100 1 463 446 44 TYR CA C 61.605 0.100 1 464 446 44 TYR CB C 38.632 0.100 1 465 446 44 TYR CD1 C 133.083 0.100 1 466 446 44 TYR CE1 C 118.588 0.100 1 467 446 44 TYR N N 118.163 0.100 1 468 447 45 VAL H H 7.857 0.020 1 469 447 45 VAL HA H 3.705 0.020 1 470 447 45 VAL HB H 2.357 0.020 1 471 447 45 VAL HG1 H 1.160 0.020 2 472 447 45 VAL HG2 H 1.023 0.020 2 473 447 45 VAL C C 177.680 0.100 1 474 447 45 VAL CA C 67.106 0.100 1 475 447 45 VAL CB C 32.161 0.100 1 476 447 45 VAL CG1 C 24.072 0.100 1 477 447 45 VAL N N 118.453 0.100 1 478 448 46 LEU H H 7.903 0.020 1 479 448 46 LEU HA H 4.262 0.020 1 480 448 46 LEU HB2 H 1.829 0.020 1 481 448 46 LEU HB3 H 1.829 0.020 1 482 448 46 LEU HG H 1.007 0.020 1 483 448 46 LEU C C 178.837 0.100 1 484 448 46 LEU CA C 58.369 0.100 1 485 448 46 LEU CG C 25.042 0.100 1 486 448 46 LEU N N 118.455 0.100 1 487 449 47 LEU H H 8.026 0.020 1 488 449 47 LEU HA H 4.236 0.020 1 489 449 47 LEU HB2 H 1.812 0.020 2 490 449 47 LEU HB3 H 1.671 0.020 2 491 449 47 LEU HD1 H 0.952 0.020 1 492 449 47 LEU C C 180.297 0.100 1 493 449 47 LEU CA C 58.046 0.100 1 494 449 47 LEU CB C 42.191 0.100 1 495 449 47 LEU N N 119.682 0.100 1 496 450 48 GLY H H 8.158 0.020 1 497 450 48 GLY HA2 H 3.829 0.020 2 498 450 48 GLY HA3 H 4.005 0.020 2 499 450 48 GLY C C 175.679 0.100 1 500 450 48 GLY CA C 47.641 0.100 1 501 450 48 GLY N N 107.229 0.100 1 502 451 49 LEU H H 8.018 0.020 1 503 451 49 LEU HA H 4.185 0.020 1 504 451 49 LEU HB2 H 1.940 0.020 2 505 451 49 LEU C C 178.747 0.100 1 506 451 49 LEU CA C 58.369 0.100 1 507 451 49 LEU N N 120.929 0.100 1 508 452 50 GLY H H 8.268 0.020 1 509 452 50 GLY HA2 H 4.003 0.020 2 510 452 50 GLY HA3 H 3.830 0.020 2 511 452 50 GLY C C 176.732 0.100 1 512 452 50 GLY CA C 47.368 0.100 1 513 452 50 GLY N N 105.109 0.100 1 514 453 51 GLY H H 8.124 0.020 1 515 453 51 GLY HA2 H 3.980 0.020 2 516 453 51 GLY HA3 H 3.810 0.020 2 517 453 51 GLY C C 175.276 0.100 1 518 453 51 GLY CA C 47.368 0.100 1 519 453 51 GLY N N 108.267 0.100 1 520 454 52 LEU H H 8.342 0.020 1 521 454 52 LEU HA H 4.158 0.020 1 522 454 52 LEU HB2 H 1.922 0.020 2 523 454 52 LEU HB3 H 1.701 0.020 2 524 454 52 LEU HD1 H 0.956 0.020 1 525 454 52 LEU C C 179.023 0.100 1 526 454 52 LEU CA C 58.143 0.100 1 527 454 52 LEU CB C 42.515 0.100 1 528 454 52 LEU N N 121.268 0.100 1 529 455 53 LEU H H 7.502 0.020 1 530 455 53 LEU HA H 4.241 0.020 1 531 455 53 LEU C C 179.362 0.100 1 532 455 53 LEU CA C 57.075 0.100 1 533 455 53 LEU N N 117.228 0.100 1 534 456 54 LEU H H 7.894 0.020 1 535 456 54 LEU HA H 4.378 0.020 1 536 456 54 LEU HB2 H 1.953 0.020 2 537 456 54 LEU HB3 H 1.696 0.020 2 538 456 54 LEU N N 116.568 0.100 1 539 457 55 LEU HA H 4.359 0.020 1 540 457 55 LEU HB2 H 1.830 0.020 2 541 457 55 LEU HB3 H 1.407 0.020 2 542 457 55 LEU HG H 1.724 0.020 1 543 457 55 LEU HD1 H 0.984 0.020 2 544 457 55 LEU HD2 H 0.905 0.020 2 545 457 55 LEU C C 178.534 0.100 1 546 457 55 LEU CA C 56.428 0.100 1 547 457 55 LEU CB C 40.250 0.100 1 548 457 55 LEU CG C 27.631 0.100 1 549 457 55 LEU CD1 C 25.042 0.100 1 550 458 56 VAL H H 7.697 0.020 1 551 458 56 VAL HA H 3.740 0.020 1 552 458 56 VAL HB H 2.348 0.020 1 553 458 56 VAL HG1 H 1.141 0.020 2 554 458 56 VAL HG2 H 0.957 0.020 2 555 458 56 VAL CA C 69.047 0.100 1 556 458 56 VAL CB C 30.543 0.100 1 557 458 56 VAL N N 118.568 0.100 1 558 459 57 PRO HA H 4.353 0.020 1 559 459 57 PRO HB2 H 1.909 0.020 2 560 459 57 PRO HB3 H 1.840 0.020 2 561 459 57 PRO HD2 H 3.796 0.020 2 562 459 57 PRO HD3 H 3.595 0.020 2 563 459 57 PRO C C 178.892 0.100 1 564 459 57 PRO CA C 66.261 0.100 1 565 459 57 PRO CB C 31.514 0.100 1 566 459 57 PRO CD C 49.957 0.100 1 567 460 58 ILE H H 7.126 0.020 1 568 460 58 ILE HA H 3.875 0.020 1 569 460 58 ILE HB H 2.158 0.020 1 570 460 58 ILE HG12 H 1.748 0.020 2 571 460 58 ILE HG13 H 1.304 0.020 2 572 460 58 ILE HG2 H 0.974 0.020 1 573 460 58 ILE HD1 H 0.967 0.020 1 574 460 58 ILE C C 178.224 0.100 1 575 460 58 ILE CB C 38.429 0.100 1 576 460 58 ILE CG1 C 29.250 0.100 1 577 460 58 ILE CG2 C 18.247 0.100 1 578 460 58 ILE CD1 C 13.717 0.100 1 579 460 58 ILE N N 116.759 0.100 1 580 461 59 ILE H H 8.077 0.020 1 581 461 59 ILE HA H 3.782 0.020 1 582 461 59 ILE HB H 2.108 0.020 1 583 461 59 ILE HG12 H 1.762 0.020 2 584 461 59 ILE HG13 H 1.278 0.020 2 585 461 59 ILE HG2 H 0.988 0.020 1 586 461 59 ILE HD1 H 0.910 0.020 1 587 461 59 ILE C C 178.224 0.100 1 588 461 59 ILE CA C 64.916 0.100 1 589 461 59 ILE CB C 37.661 0.100 1 590 461 59 ILE CG1 C 29.250 0.100 1 591 461 59 ILE CG2 C 18.247 0.100 1 592 461 59 ILE CD1 C 13.717 0.100 1 593 461 59 ILE N N 119.773 0.100 1 594 462 60 CYS H H 8.311 0.020 1 595 462 60 CYS HA H 4.473 0.020 1 596 462 60 CYS HB2 H 2.991 0.020 2 597 462 60 CYS HB3 H 2.701 0.020 2 598 462 60 CYS C C 179.483 0.100 1 599 462 60 CYS CA C 58.369 0.100 1 600 462 60 CYS CB C 39.926 0.100 1 601 462 60 CYS N N 116.370 0.100 1 602 463 61 GLN H H 7.940 0.020 1 603 463 61 GLN HA H 4.282 0.020 1 604 463 61 GLN HB2 H 2.276 0.020 2 605 463 61 GLN HB3 H 2.170 0.020 2 606 463 61 GLN HG2 H 2.554 0.020 2 607 463 61 GLN HG3 H 2.455 0.020 2 608 463 61 GLN C C 178.361 0.100 1 609 463 61 GLN CA C 58.693 0.100 1 610 463 61 GLN CB C 29.249 0.100 1 611 463 61 GLN CG C 34.749 0.100 1 612 463 61 GLN N N 119.254 0.100 1 613 464 62 LEU H H 7.998 0.020 1 614 464 62 LEU HA H 4.229 0.020 1 615 464 62 LEU HB2 H 1.988 0.020 2 616 464 62 LEU HB3 H 1.676 0.020 2 617 464 62 LEU HG H 0.957 0.020 1 618 464 62 LEU HD1 H 0.992 0.020 2 619 464 62 LEU HD2 H 0.941 0.020 2 620 464 62 LEU C C 178.329 0.100 1 621 464 62 LEU CA C 57.482 0.100 1 622 464 62 LEU CB C 42.798 0.100 1 623 464 62 LEU CG C 25.690 0.100 1 624 464 62 LEU CD1 C 25.690 0.100 1 625 464 62 LEU CD2 C 25.690 0.100 1 626 464 62 LEU N N 120.056 0.100 1 627 465 63 ARG H H 7.744 0.020 1 628 465 63 ARG HA H 4.455 0.020 1 629 465 63 ARG HB2 H 2.097 0.020 2 630 465 63 ARG HB3 H 1.837 0.020 2 631 465 63 ARG HG2 H 1.788 0.020 2 632 465 63 ARG HG3 H 1.693 0.020 2 633 465 63 ARG HD2 H 3.236 0.020 2 634 465 63 ARG HD3 H 3.170 0.020 2 635 465 63 ARG C C 176.076 0.100 1 636 465 63 ARG CA C 56.256 0.100 1 637 465 63 ARG CB C 31.168 0.100 1 638 465 63 ARG CG C 27.631 0.100 1 639 465 63 ARG CD C 43.485 0.100 1 640 465 63 ARG N N 116.357 0.100 1 641 466 64 SER H H 8.072 0.020 1 642 466 64 SER HA H 4.281 0.020 1 643 466 64 SER HB2 H 4.014 0.020 2 644 466 64 SER HB3 H 3.812 0.020 2 645 466 64 SER C C 174.831 0.100 1 646 466 64 SER CA C 59.475 0.100 1 647 466 64 SER CB C 63.584 0.100 1 648 466 64 SER N N 114.345 0.100 1 649 467 65 GLN H H 8.209 0.020 1 650 467 65 GLN HA H 4.369 0.020 1 651 467 65 GLN HB2 H 2.209 0.020 2 652 467 65 GLN HB3 H 2.007 0.020 2 653 467 65 GLN HG2 H 2.378 0.020 1 654 467 65 GLN HG3 H 2.378 0.020 1 655 467 65 GLN C C 176.302 0.100 1 656 467 65 GLN CA C 56.487 0.100 1 657 467 65 GLN CB C 29.933 0.100 1 658 467 65 GLN CG C 34.426 0.100 1 659 467 65 GLN N N 119.955 0.100 1 660 468 66 GLU H H 8.485 0.020 1 661 468 66 GLU HA H 4.222 0.020 1 662 468 66 GLU HB2 H 2.097 0.020 2 663 468 66 GLU HB3 H 2.018 0.020 2 664 468 66 GLU HG2 H 2.312 0.020 1 665 468 66 GLU HG3 H 2.312 0.020 1 666 468 66 GLU C C 176.778 0.100 1 667 468 66 GLU CA C 58.258 0.100 1 668 468 66 GLU CB C 30.560 0.100 1 669 468 66 GLU CG C 37.014 0.100 1 670 468 66 GLU N N 120.967 0.100 1 671 469 67 LYS H H 8.026 0.020 1 672 469 67 LYS HA H 4.361 0.020 1 673 469 67 LYS HB2 H 1.765 0.020 2 674 469 67 LYS HB3 H 1.719 0.020 2 675 469 67 LYS HG2 H 1.402 0.020 1 676 469 67 LYS HG3 H 1.402 0.020 1 677 469 67 LYS HD2 H 1.755 0.020 2 678 469 67 LYS HD3 H 1.681 0.020 2 679 469 67 LYS HE2 H 3.036 0.020 2 680 469 67 LYS HE3 H 2.987 0.020 2 681 469 67 LYS C C 175.955 0.100 1 682 469 67 LYS CA C 56.214 0.100 1 683 469 67 LYS CB C 33.583 0.100 1 684 469 67 LYS CG C 25.042 0.100 1 685 469 67 LYS CD C 29.572 0.100 1 686 469 67 LYS CE C 42.515 0.100 1 687 469 67 LYS N N 118.350 0.100 1 688 470 68 CYS H H 8.356 0.020 1 689 470 68 CYS HA H 4.433 0.020 1 690 470 68 CYS HB2 H 3.008 0.020 1 691 470 68 CYS HB3 H 3.008 0.020 1 692 470 68 CYS C C 173.976 0.100 1 693 470 68 CYS CA C 56.751 0.100 1 694 470 68 CYS CB C 40.790 0.100 1 695 470 68 CYS N N 120.898 0.100 1 696 471 69 PHE H H 7.988 0.020 1 697 471 69 PHE HA H 4.484 0.020 1 698 471 69 PHE HB2 H 3.194 0.020 2 699 471 69 PHE HB3 H 3.119 0.020 2 700 471 69 PHE HD1 H 7.158 0.020 1 701 471 69 PHE HD2 H 7.158 0.020 1 702 471 69 PHE HE1 H 7.164 0.020 1 703 471 69 PHE HE2 H 7.164 0.020 1 704 471 69 PHE HZ H 7.192 0.020 1 705 471 69 PHE C C 174.784 0.100 1 706 471 69 PHE CA C 58.332 0.100 1 707 471 69 PHE CB C 39.595 0.100 1 708 471 69 PHE CD1 C 132.565 0.100 1 709 471 69 PHE CE1 C 131.789 0.100 1 710 471 69 PHE CZ C 129.459 0.100 1 711 471 69 PHE N N 119.265 0.100 1 712 472 70 LEU H H 7.346 0.020 1 713 472 70 LEU HA H 3.996 0.020 1 714 472 70 LEU HB2 H 1.382 0.020 2 715 472 70 LEU HB3 H 1.228 0.020 2 716 472 70 LEU HG H 1.252 0.020 1 717 472 70 LEU HD1 H 0.795 0.020 2 718 472 70 LEU HD2 H 0.754 0.020 2 719 472 70 LEU C C 176.657 0.100 1 720 472 70 LEU CA C 55.781 0.100 1 721 472 70 LEU CB C 41.929 0.100 1 722 472 70 LEU CG C 27.631 0.100 1 723 472 70 LEU CD1 C 25.690 0.100 1 724 472 70 LEU CD2 C 25.690 0.100 1 725 472 70 LEU N N 119.249 0.100 1 726 473 71 PHE H H 7.411 0.020 1 727 473 71 PHE HA H 4.470 0.020 1 728 473 71 PHE HB2 H 2.991 0.020 2 729 473 71 PHE HB3 H 2.701 0.020 2 730 473 71 PHE HD1 H 7.171 0.020 1 731 473 71 PHE HD2 H 7.171 0.020 1 732 473 71 PHE HE1 H 7.157 0.020 1 733 473 71 PHE HE2 H 7.157 0.020 1 734 473 71 PHE HZ H 7.192 0.020 1 735 473 71 PHE C C 175.123 0.100 1 736 473 71 PHE CA C 58.640 0.100 1 737 473 71 PHE CB C 39.637 0.100 1 738 473 71 PHE CD1 C 132.695 0.100 1 739 473 71 PHE CE1 C 132.306 0.100 1 740 473 71 PHE CZ C 129.977 0.100 1 741 473 71 PHE N N 117.792 0.100 1 742 474 72 TRP H H 7.471 0.020 1 743 474 72 TRP HA H 4.806 0.020 1 744 474 72 TRP HB2 H 3.314 0.020 2 745 474 72 TRP HB3 H 3.306 0.020 2 746 474 72 TRP HD1 H 7.237 0.020 1 747 474 72 TRP HE1 H 10.150 0.020 1 748 474 72 TRP HE3 H 7.467 0.020 1 749 474 72 TRP HZ2 H 7.421 0.020 1 750 474 72 TRP HZ3 H 7.073 0.020 1 751 474 72 TRP HH2 H 7.110 0.020 1 752 474 72 TRP C C 174.986 0.100 1 753 474 72 TRP CA C 58.357 0.100 1 754 474 72 TRP CB C 30.268 0.100 1 755 474 72 TRP CD1 C 127.388 0.100 1 756 474 72 TRP CE3 C 120.917 0.100 1 757 474 72 TRP CZ2 C 114.705 0.100 1 758 474 72 TRP CZ3 C 121.694 0.100 1 759 474 72 TRP CH2 C 124.282 0.100 1 760 474 72 TRP N N 119.783 0.100 1 761 474 72 TRP NE1 N 138.040 0.100 1 762 475 73 SER H H 7.641 0.020 1 763 475 73 SER HA H 4.259 0.020 1 764 475 73 SER HB2 H 3.808 0.020 2 765 475 73 SER HB3 H 3.808 0.020 2 766 475 73 SER N N 121.872 0.100 1 stop_ save_