data_25740 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C-terminal domain of Cdc37 cochaperone ; _BMRB_accession_number 25740 _BMRB_flat_file_name bmr25740.str _Entry_type original _Submission_date 2015-08-02 _Accession_date 2015-08-02 _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 Keramisanou Dimitra . . 2 Dudhat Amit . . 3 Pare Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 495 "13C chemical shifts" 351 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-05 update BMRB 'update entry citation' 2015-10-05 original author 'original release' stop_ _Original_release_date 2015-10-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The C-terminal domain of human Cdc37 studied by solution NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26400850 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Ziming . . 2 Keramisanou Dimitra . . 3 Dudhat Amit . . 4 Pare Michael . . 5 Gelis Ioannis . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 63 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 315 _Page_last 321 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of Cdc37 cochaperone' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cdc37 $Cdc37 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cdc37 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cdc37 _Molecular_mass 10197.445 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GHMGPGGLDPVEVYESLPEE LQKCFDVKDVQMLQDAISKM DPTDAKYHMQRCIDSGLWVP NSKASEAKEGEEAGPGDPLL EAVPKTGDEKDVSV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 285 GLY 2 286 HIS 3 287 MET 4 288 GLY 5 289 PRO 6 290 GLY 7 291 GLY 8 292 LEU 9 293 ASP 10 294 PRO 11 295 VAL 12 296 GLU 13 297 VAL 14 298 TYR 15 299 GLU 16 300 SER 17 301 LEU 18 302 PRO 19 303 GLU 20 304 GLU 21 305 LEU 22 306 GLN 23 307 LYS 24 308 CYS 25 309 PHE 26 310 ASP 27 311 VAL 28 312 LYS 29 313 ASP 30 314 VAL 31 315 GLN 32 316 MET 33 317 LEU 34 318 GLN 35 319 ASP 36 320 ALA 37 321 ILE 38 322 SER 39 323 LYS 40 324 MET 41 325 ASP 42 326 PRO 43 327 THR 44 328 ASP 45 329 ALA 46 330 LYS 47 331 TYR 48 332 HIS 49 333 MET 50 334 GLN 51 335 ARG 52 336 CYS 53 337 ILE 54 338 ASP 55 339 SER 56 340 GLY 57 341 LEU 58 342 TRP 59 343 VAL 60 344 PRO 61 345 ASN 62 346 SER 63 347 LYS 64 348 ALA 65 349 SER 66 350 GLU 67 351 ALA 68 352 LYS 69 353 GLU 70 354 GLY 71 355 GLU 72 356 GLU 73 357 ALA 74 358 GLY 75 359 PRO 76 360 GLY 77 361 ASP 78 362 PRO 79 363 LEU 80 364 LEU 81 365 GLU 82 366 ALA 83 367 VAL 84 368 PRO 85 369 LYS 86 370 THR 87 371 GLY 88 372 ASP 89 373 GLU 90 374 LYS 91 375 ASP 92 376 VAL 93 377 SER 94 378 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q16543 c . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Cdc37 human 9606 Eukaryota Metazoa Homo sapiens 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 $Cdc37 'recombinant technology' . Escherichia coli BL21DE3 pdb.His.MBP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50mM Hepes, pH=7.5, 100mM NaCl, 2mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Cdc37 . mM 0.3 0.5 '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM . . 'natural abundance' HEPES 50 mM . . 'natural abundance' D2O 7 % . . '[U-100% 2H]' H2O 93 % . . 'natural abundance' DTT 2 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '50mM Hepes, pH=7.5, 100mM NaCl, 2mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Cdc37 . mM 0.3 0.5 '[U-100% 15N]' 'sodium chloride' 100 mM . . 'natural abundance' HEPES 50 mM . . 'natural abundance' D2O 7 % . . [U-2H] H2O 93 % . . 'natural abundance' DTT 2 mM . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '50mM Hepes, pH=7.5, 100mM NaCl, 2mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Cdc37 . mM 0.3 0.5 '[U-10% 13C; U-100% 15N]' 'sodium chloride' 100 mM . . 'natural abundance' HEPES 5 mM . . 'natural abundance' D2O 7 % . . [U-2H] H2O 93 % . . 'natural abundance' DTT 2 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Cdc37 _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 1 287 3 MET HA H 4.546 0.020 1 2 287 3 MET HB2 H 2.512 0.020 2 3 287 3 MET HB3 H 2.512 0.020 2 4 287 3 MET HG2 H 1.980 0.020 2 5 287 3 MET HG3 H 1.980 0.020 2 6 287 3 MET C C 176.456 0.400 1 7 287 3 MET CA C 55.062 0.400 1 8 287 3 MET CB C 33.474 0.400 1 9 287 3 MET CG C 32.089 0.400 1 10 288 4 GLY H H 8.314 0.020 1 11 288 4 GLY HA2 H 4.550 0.020 2 12 288 4 GLY HA3 H 4.550 0.020 2 13 288 4 GLY N N 109.239 0.400 1 14 289 5 PRO HA H 4.436 0.020 1 15 289 5 PRO HB2 H 2.332 0.020 2 16 289 5 PRO HB3 H 2.332 0.020 2 17 289 5 PRO HG2 H 2.086 0.020 2 18 289 5 PRO HG3 H 2.086 0.020 2 19 289 5 PRO HD2 H 3.660 0.020 2 20 289 5 PRO HD3 H 3.660 0.020 2 21 289 5 PRO C C 177.731 0.400 1 22 289 5 PRO CA C 64.156 0.400 1 23 289 5 PRO CB C 31.993 0.400 1 24 289 5 PRO CG C 27.360 0.400 1 25 289 5 PRO CD C 49.606 0.400 1 26 290 6 GLY H H 8.583 0.020 1 27 290 6 GLY HA2 H 4.204 0.020 2 28 290 6 GLY HA3 H 3.791 0.020 2 29 290 6 GLY C C 174.892 0.400 1 30 290 6 GLY CA C 45.065 0.400 1 31 290 6 GLY N N 108.144 0.400 1 32 291 7 GLY H H 8.090 0.020 1 33 291 7 GLY HA2 H 3.935 0.020 2 34 291 7 GLY HA3 H 3.935 0.020 2 35 291 7 GLY C C 173.451 0.400 1 36 291 7 GLY CA C 45.477 0.400 1 37 291 7 GLY N N 107.784 0.400 1 38 292 8 LEU H H 7.330 0.020 1 39 292 8 LEU HA H 4.518 0.020 1 40 292 8 LEU HB2 H 1.263 0.020 2 41 292 8 LEU HB3 H 1.263 0.020 2 42 292 8 LEU HG H 1.491 0.020 1 43 292 8 LEU HD1 H 0.906 0.020 2 44 292 8 LEU HD2 H 0.837 0.020 2 45 292 8 LEU C C 175.298 0.400 1 46 292 8 LEU CA C 53.589 0.400 1 47 292 8 LEU CB C 44.648 0.400 1 48 292 8 LEU CG C 26.927 0.400 1 49 292 8 LEU CD1 C 26.197 0.400 1 50 292 8 LEU CD2 C 23.533 0.400 1 51 292 8 LEU N N 119.139 0.400 1 52 293 9 ASP H H 8.783 0.020 1 53 293 9 ASP HA H 5.052 0.020 1 54 293 9 ASP HB2 H 2.678 0.020 2 55 293 9 ASP HB3 H 2.898 0.020 2 56 293 9 ASP CA C 51.068 0.400 1 57 293 9 ASP CB C 42.859 0.400 1 58 293 9 ASP N N 124.712 0.400 1 59 294 10 PRO HA H 4.224 0.020 1 60 294 10 PRO HB2 H 2.185 0.020 2 61 294 10 PRO HB3 H 2.185 0.020 2 62 294 10 PRO HG2 H 1.994 0.020 2 63 294 10 PRO HG3 H 1.994 0.020 2 64 294 10 PRO HD2 H 4.216 0.020 2 65 294 10 PRO HD3 H 4.080 0.020 2 66 294 10 PRO C C 178.508 0.400 1 67 294 10 PRO CA C 65.058 0.400 1 68 294 10 PRO CB C 31.792 0.400 1 69 294 10 PRO CG C 27.371 0.400 1 70 294 10 PRO CD C 51.178 0.400 1 71 295 11 VAL H H 8.215 0.020 1 72 295 11 VAL HA H 3.711 0.020 1 73 295 11 VAL HB H 2.194 0.020 1 74 295 11 VAL HG1 H 0.929 0.020 2 75 295 11 VAL HG2 H 0.980 0.020 2 76 295 11 VAL C C 177.860 0.400 1 77 295 11 VAL CA C 66.648 0.400 1 78 295 11 VAL CB C 31.221 0.400 1 79 295 11 VAL CG1 C 21.145 0.400 1 80 295 11 VAL CG2 C 22.670 0.400 1 81 295 11 VAL N N 121.762 0.400 1 82 296 12 GLU H H 7.195 0.020 1 83 296 12 GLU HA H 4.063 0.020 1 84 296 12 GLU HB2 H 2.201 0.020 2 85 296 12 GLU HB3 H 2.201 0.020 2 86 296 12 GLU HG2 H 2.400 0.020 2 87 296 12 GLU HG3 H 2.400 0.020 2 88 296 12 GLU C C 180.463 0.400 1 89 296 12 GLU CA C 58.987 0.400 1 90 296 12 GLU CB C 29.507 0.400 1 91 296 12 GLU CG C 36.476 0.400 1 92 296 12 GLU N N 120.347 0.400 1 93 297 13 VAL H H 8.286 0.020 1 94 297 13 VAL HA H 3.531 0.020 1 95 297 13 VAL HB H 2.033 0.020 1 96 297 13 VAL HG1 H 0.736 0.020 2 97 297 13 VAL HG2 H 0.972 0.020 2 98 297 13 VAL C C 179.235 0.400 1 99 297 13 VAL CA C 66.709 0.400 1 100 297 13 VAL CB C 31.356 0.400 1 101 297 13 VAL CG1 C 22.171 0.400 1 102 297 13 VAL CG2 C 23.851 0.400 1 103 297 13 VAL N N 118.204 0.400 1 104 298 14 TYR H H 8.623 0.020 1 105 298 14 TYR HA H 3.762 0.020 1 106 298 14 TYR HB2 H 3.213 0.020 2 107 298 14 TYR HB3 H 3.019 0.020 2 108 298 14 TYR HD1 H 6.840 0.020 1 109 298 14 TYR HE1 H 6.892 0.020 1 110 298 14 TYR C C 177.844 0.400 1 111 298 14 TYR CA C 62.198 0.400 1 112 298 14 TYR CB C 38.322 0.400 1 113 298 14 TYR CD1 C 132.605 0.400 1 114 298 14 TYR CE1 C 119.380 0.400 1 115 298 14 TYR N N 122.586 0.400 1 116 299 15 GLU H H 8.292 0.020 1 117 299 15 GLU HA H 3.785 0.020 1 118 299 15 GLU HB2 H 2.119 0.020 2 119 299 15 GLU HB3 H 2.119 0.020 2 120 299 15 GLU HG2 H 2.675 0.020 2 121 299 15 GLU HG3 H 2.436 0.020 2 122 299 15 GLU C C 176.636 0.400 1 123 299 15 GLU CA C 58.718 0.400 1 124 299 15 GLU CB C 29.580 0.400 1 125 299 15 GLU CG C 36.918 0.400 1 126 299 15 GLU N N 116.485 0.400 1 127 300 16 SER H H 7.728 0.020 1 128 300 16 SER HA H 4.549 0.020 1 129 300 16 SER HB2 H 4.259 0.020 2 130 300 16 SER HB3 H 3.981 0.020 2 131 300 16 SER C C 173.963 0.400 1 132 300 16 SER CA C 58.502 0.400 1 133 300 16 SER CB C 64.845 0.400 1 134 300 16 SER N N 113.046 0.400 1 135 301 17 LEU H H 7.326 0.020 1 136 301 17 LEU HA H 4.138 0.020 1 137 301 17 LEU HB2 H 1.024 0.020 2 138 301 17 LEU HB3 H 1.670 0.020 2 139 301 17 LEU HD1 H 0.649 0.020 2 140 301 17 LEU HD2 H 0.680 0.020 2 141 301 17 LEU CA C 53.047 0.400 1 142 301 17 LEU CB C 41.865 0.400 1 143 301 17 LEU CD1 C 26.440 0.400 1 144 301 17 LEU CD2 C 22.522 0.400 1 145 301 17 LEU N N 124.535 0.400 1 146 302 18 PRO HA H 4.415 0.020 1 147 302 18 PRO HB2 H 1.804 0.020 2 148 302 18 PRO HB3 H 2.466 0.020 2 149 302 18 PRO HG2 H 1.659 0.020 2 150 302 18 PRO HG3 H 1.940 0.020 2 151 302 18 PRO HD2 H 2.833 0.020 2 152 302 18 PRO HD3 H 2.441 0.020 2 153 302 18 PRO C C 178.093 0.400 1 154 302 18 PRO CA C 62.171 0.400 1 155 302 18 PRO CB C 32.242 0.400 1 156 302 18 PRO CG C 27.904 0.400 1 157 302 18 PRO CD C 49.001 0.400 1 158 303 19 GLU H H 9.001 0.020 1 159 303 19 GLU HA H 3.871 0.020 1 160 303 19 GLU HB2 H 2.087 0.020 2 161 303 19 GLU HB3 H 1.955 0.020 2 162 303 19 GLU HG2 H 2.316 0.020 2 163 303 19 GLU HG3 H 2.228 0.020 2 164 303 19 GLU C C 177.628 0.400 1 165 303 19 GLU CA C 60.070 0.400 1 166 303 19 GLU CB C 29.615 0.400 1 167 303 19 GLU CG C 36.285 0.400 1 168 303 19 GLU N N 126.240 0.400 1 169 304 20 GLU H H 9.375 0.020 1 170 304 20 GLU HA H 3.942 0.020 1 171 304 20 GLU HG2 H 2.267 0.020 2 172 304 20 GLU HG3 H 2.267 0.020 2 173 304 20 GLU C C 178.946 0.400 1 174 304 20 GLU CA C 59.812 0.400 1 175 304 20 GLU CB C 29.161 0.400 1 176 304 20 GLU CG C 36.550 0.400 1 177 304 20 GLU N N 116.356 0.400 1 178 305 21 LEU H H 7.164 0.020 1 179 305 21 LEU HA H 4.272 0.020 1 180 305 21 LEU HB2 H 1.695 0.020 2 181 305 21 LEU HB3 H 1.695 0.020 2 182 305 21 LEU HG H 1.585 0.020 1 183 305 21 LEU HD1 H 0.761 0.020 2 184 305 21 LEU HD2 H 0.744 0.020 2 185 305 21 LEU C C 178.593 0.400 1 186 305 21 LEU CA C 57.030 0.400 1 187 305 21 LEU CB C 42.471 0.400 1 188 305 21 LEU CG C 27.715 0.400 1 189 305 21 LEU CD1 C 25.209 0.400 1 190 305 21 LEU CD2 C 23.477 0.400 1 191 305 21 LEU N N 115.292 0.400 1 192 306 22 GLN H H 7.994 0.020 1 193 306 22 GLN HA H 3.668 0.020 1 194 306 22 GLN HB2 H 2.132 0.020 2 195 306 22 GLN HB3 H 2.132 0.020 2 196 306 22 GLN HG2 H 1.312 0.020 2 197 306 22 GLN HG3 H 1.955 0.020 2 198 306 22 GLN HE21 H 7.022 0.020 2 199 306 22 GLN HE22 H 6.573 0.020 2 200 306 22 GLN C C 178.274 0.400 1 201 306 22 GLN CA C 60.371 0.400 1 202 306 22 GLN CB C 28.158 0.400 1 203 306 22 GLN CG C 34.238 0.400 1 204 306 22 GLN N N 119.809 0.400 1 205 306 22 GLN NE2 N 111.950 0.400 1 206 307 23 LYS H H 7.858 0.020 1 207 307 23 LYS HA H 4.195 0.020 1 208 307 23 LYS HB2 H 1.889 0.020 2 209 307 23 LYS HB3 H 1.889 0.020 2 210 307 23 LYS HG2 H 1.683 0.020 2 211 307 23 LYS HG3 H 1.573 0.020 2 212 307 23 LYS HE2 H 2.944 0.020 2 213 307 23 LYS HE3 H 2.944 0.020 2 214 307 23 LYS C C 178.946 0.400 1 215 307 23 LYS CA C 58.932 0.400 1 216 307 23 LYS CB C 32.208 0.400 1 217 307 23 LYS CG C 24.972 0.400 1 218 307 23 LYS CD C 29.060 0.400 1 219 307 23 LYS CE C 42.242 0.400 1 220 307 23 LYS N N 114.630 0.400 1 221 308 24 CYS H H 7.178 0.020 1 222 308 24 CYS HA H 4.211 0.020 1 223 308 24 CYS HB2 H 3.011 0.020 2 224 308 24 CYS HB3 H 2.402 0.020 2 225 308 24 CYS C C 177.040 0.400 1 226 308 24 CYS CA C 62.139 0.400 1 227 308 24 CYS CB C 27.478 0.400 1 228 308 24 CYS N N 115.186 0.400 1 229 309 25 PHE H H 7.712 0.020 1 230 309 25 PHE HA H 4.138 0.020 1 231 309 25 PHE HB2 H 3.427 0.020 2 232 309 25 PHE HB3 H 3.075 0.020 2 233 309 25 PHE HD2 H 7.258 0.020 1 234 309 25 PHE HE2 H 7.116 0.020 1 235 309 25 PHE HZ H 6.991 0.020 1 236 309 25 PHE C C 178.096 0.400 1 237 309 25 PHE CA C 61.808 0.400 1 238 309 25 PHE CB C 38.406 0.400 1 239 309 25 PHE CD2 C 131.387 0.400 1 240 309 25 PHE CE2 C 131.420 0.400 1 241 309 25 PHE CZ C 129.706 0.400 1 242 309 25 PHE N N 118.312 0.400 1 243 310 26 ASP H H 8.468 0.020 1 244 310 26 ASP HA H 4.430 0.020 1 245 310 26 ASP HB2 H 2.932 0.020 2 246 310 26 ASP HB3 H 2.781 0.020 2 247 310 26 ASP C C 177.822 0.400 1 248 310 26 ASP CA C 57.319 0.400 1 249 310 26 ASP CB C 40.507 0.400 1 250 310 26 ASP N N 121.804 0.400 1 251 311 27 VAL H H 7.298 0.020 1 252 311 27 VAL HA H 4.323 0.020 1 253 311 27 VAL HB H 2.384 0.020 1 254 311 27 VAL HG1 H 0.990 0.020 2 255 311 27 VAL HG2 H 1.041 0.020 2 256 311 27 VAL C C 175.273 0.400 1 257 311 27 VAL CA C 61.382 0.400 1 258 311 27 VAL CB C 32.135 0.400 1 259 311 27 VAL CG1 C 21.732 0.400 1 260 311 27 VAL CG2 C 19.959 0.400 1 261 311 27 VAL N N 110.647 0.400 1 262 312 28 LYS H H 7.774 0.020 1 263 312 28 LYS HA H 3.718 0.020 1 264 312 28 LYS HB2 H 2.017 0.020 2 265 312 28 LYS HB3 H 1.882 0.020 2 266 312 28 LYS HG2 H 1.313 0.020 2 267 312 28 LYS HG3 H 1.313 0.020 2 268 312 28 LYS HD2 H 1.630 0.020 2 269 312 28 LYS HD3 H 1.630 0.020 2 270 312 28 LYS HE2 H 2.935 0.020 2 271 312 28 LYS HE3 H 2.935 0.020 2 272 312 28 LYS C C 174.686 0.400 1 273 312 28 LYS CA C 57.173 0.400 1 274 312 28 LYS CB C 29.674 0.400 1 275 312 28 LYS N N 119.155 0.400 1 276 313 29 ASP H H 7.352 0.020 1 277 313 29 ASP HA H 4.965 0.020 1 278 313 29 ASP C C 176.401 0.400 1 279 313 29 ASP CA C 53.037 0.400 1 280 313 29 ASP CB C 43.255 0.400 1 281 313 29 ASP N N 118.801 0.400 1 282 314 30 VAL H H 8.594 0.020 1 283 314 30 VAL HA H 3.762 0.020 1 284 314 30 VAL HB H 2.193 0.020 1 285 314 30 VAL HG1 H 1.024 0.020 2 286 314 30 VAL HG2 H 1.110 0.020 2 287 314 30 VAL C C 177.537 0.400 1 288 314 30 VAL CA C 65.129 0.400 1 289 314 30 VAL CB C 31.749 0.400 1 290 314 30 VAL CG1 C 21.430 0.400 1 291 314 30 VAL CG2 C 21.677 0.400 1 292 314 30 VAL N N 124.253 0.400 1 293 315 31 GLN H H 8.210 0.020 1 294 315 31 GLN HA H 4.071 0.020 1 295 315 31 GLN HB2 H 2.181 0.020 2 296 315 31 GLN HB3 H 2.181 0.020 2 297 315 31 GLN HG2 H 2.400 0.020 2 298 315 31 GLN HG3 H 2.400 0.020 2 299 315 31 GLN HE21 H 7.676 0.020 2 300 315 31 GLN HE22 H 6.836 0.020 2 301 315 31 GLN C C 178.413 0.400 1 302 315 31 GLN CA C 58.831 0.400 1 303 315 31 GLN CB C 28.023 0.400 1 304 315 31 GLN CG C 34.226 0.400 1 305 315 31 GLN N N 122.826 0.400 1 306 315 31 GLN NE2 N 113.621 0.400 1 307 316 32 MET H H 8.177 0.020 1 308 316 32 MET HA H 4.038 0.020 1 309 316 32 MET HB2 H 2.164 0.020 2 310 316 32 MET HB3 H 2.026 0.020 2 311 316 32 MET HG2 H 2.589 0.020 2 312 316 32 MET HG3 H 2.589 0.020 2 313 316 32 MET HE H 1.736 0.020 1 314 316 32 MET C C 179.022 0.400 1 315 316 32 MET CA C 58.718 0.400 1 316 316 32 MET CB C 33.348 0.400 1 317 316 32 MET CG C 32.137 0.400 1 318 316 32 MET CE C 16.494 0.400 1 319 316 32 MET N N 120.940 0.400 1 320 317 33 LEU H H 7.605 0.020 1 321 317 33 LEU HA H 4.275 0.020 1 322 317 33 LEU HB2 H 1.106 0.020 2 323 317 33 LEU HB3 H 1.777 0.020 2 324 317 33 LEU HG H 1.161 0.020 1 325 317 33 LEU HD1 H 0.488 0.020 2 326 317 33 LEU HD2 H 0.080 0.020 2 327 317 33 LEU C C 177.453 0.400 1 328 317 33 LEU CA C 58.369 0.400 1 329 317 33 LEU CB C 41.908 0.400 1 330 317 33 LEU CG C 26.790 0.400 1 331 317 33 LEU CD1 C 23.649 0.400 1 332 317 33 LEU CD2 C 25.155 0.400 1 333 317 33 LEU N N 120.571 0.400 1 334 318 34 GLN H H 7.978 0.020 1 335 318 34 GLN HA H 3.864 0.020 1 336 318 34 GLN HB2 H 2.160 0.020 2 337 318 34 GLN HB3 H 2.160 0.020 2 338 318 34 GLN HG2 H 2.510 0.020 2 339 318 34 GLN HG3 H 2.405 0.020 2 340 318 34 GLN HE21 H 7.235 0.020 2 341 318 34 GLN HE22 H 6.797 0.020 2 342 318 34 GLN C C 179.153 0.400 1 343 318 34 GLN CA C 59.006 0.400 1 344 318 34 GLN CB C 28.267 0.400 1 345 318 34 GLN CG C 34.112 0.400 1 346 318 34 GLN N N 117.590 0.400 1 347 318 34 GLN NE2 N 110.618 0.400 1 348 319 35 ASP H H 8.171 0.020 1 349 319 35 ASP HA H 4.332 0.020 1 350 319 35 ASP HB2 H 2.732 0.020 2 351 319 35 ASP HB3 H 2.619 0.020 2 352 319 35 ASP C C 178.540 0.400 1 353 319 35 ASP CA C 57.313 0.400 1 354 319 35 ASP CB C 40.661 0.400 1 355 319 35 ASP N N 120.422 0.400 1 356 320 36 ALA H H 8.243 0.020 1 357 320 36 ALA HA H 4.013 0.020 1 358 320 36 ALA HB H 1.335 0.020 1 359 320 36 ALA C C 181.582 0.400 1 360 320 36 ALA CA C 55.366 0.400 1 361 320 36 ALA CB C 18.527 0.400 1 362 320 36 ALA N N 123.057 0.400 1 363 321 37 ILE H H 8.543 0.020 1 364 321 37 ILE HA H 3.819 0.020 1 365 321 37 ILE HB H 1.992 0.020 1 366 321 37 ILE HG12 H 1.595 0.020 2 367 321 37 ILE HG13 H 1.322 0.020 2 368 321 37 ILE HG2 H 0.935 0.020 1 369 321 37 ILE HD1 H 0.809 0.020 1 370 321 37 ILE C C 178.972 0.400 1 371 321 37 ILE CA C 64.051 0.400 1 372 321 37 ILE CB C 37.500 0.400 1 373 321 37 ILE CG1 C 28.707 0.400 1 374 321 37 ILE CG2 C 17.552 0.400 1 375 321 37 ILE CD1 C 12.676 0.400 1 376 321 37 ILE N N 118.131 0.400 1 377 322 38 SER H H 7.869 0.020 1 378 322 38 SER HA H 4.311 0.020 1 379 322 38 SER HB2 H 4.075 0.020 2 380 322 38 SER HB3 H 4.075 0.020 2 381 322 38 SER C C 174.802 0.400 1 382 322 38 SER CA C 61.156 0.400 1 383 322 38 SER CB C 63.299 0.400 1 384 322 38 SER N N 115.590 0.400 1 385 323 39 LYS H H 7.111 0.020 1 386 323 39 LYS HA H 4.402 0.020 1 387 323 39 LYS HB2 H 2.043 0.020 2 388 323 39 LYS HB3 H 2.043 0.020 2 389 323 39 LYS HG2 H 1.455 0.020 2 390 323 39 LYS HG3 H 1.455 0.020 2 391 323 39 LYS HD2 H 1.724 0.020 2 392 323 39 LYS HD3 H 1.588 0.020 2 393 323 39 LYS HE2 H 2.929 0.020 2 394 323 39 LYS HE3 H 2.929 0.020 2 395 323 39 LYS C C 176.687 0.400 1 396 323 39 LYS CA C 56.341 0.400 1 397 323 39 LYS CB C 33.405 0.400 1 398 323 39 LYS CG C 25.074 0.400 1 399 323 39 LYS CD C 29.104 0.400 1 400 323 39 LYS CE C 42.283 0.400 1 401 323 39 LYS N N 119.262 0.400 1 402 324 40 MET H H 7.363 0.020 1 403 324 40 MET HA H 4.430 0.020 1 404 324 40 MET HB2 H 2.325 0.020 2 405 324 40 MET HB3 H 2.163 0.020 2 406 324 40 MET HG2 H 2.916 0.020 2 407 324 40 MET HG3 H 2.674 0.020 2 408 324 40 MET C C 175.908 0.400 1 409 324 40 MET CA C 55.476 0.400 1 410 324 40 MET CB C 35.709 0.400 1 411 324 40 MET CG C 32.278 0.400 1 412 324 40 MET N N 118.953 0.400 1 413 325 41 ASP H H 8.985 0.020 1 414 325 41 ASP HB2 H 2.801 0.020 2 415 325 41 ASP HB3 H 2.801 0.020 2 416 325 41 ASP CB C 42.242 0.400 1 417 325 41 ASP N N 124.530 0.400 1 418 326 42 PRO HA H 4.382 0.020 1 419 326 42 PRO HB2 H 2.423 0.020 2 420 326 42 PRO HB3 H 2.423 0.020 2 421 326 42 PRO HG2 H 2.159 0.020 2 422 326 42 PRO HG3 H 2.061 0.020 2 423 326 42 PRO HD2 H 4.007 0.020 2 424 326 42 PRO HD3 H 3.874 0.020 2 425 326 42 PRO C C 179.207 0.400 1 426 326 42 PRO CA C 65.516 0.400 1 427 326 42 PRO CB C 32.456 0.400 1 428 326 42 PRO CG C 27.698 0.400 1 429 326 42 PRO CD C 51.151 0.400 1 430 327 43 THR H H 8.450 0.020 1 431 327 43 THR HA H 3.997 0.020 1 432 327 43 THR HB H 4.264 0.020 1 433 327 43 THR HG2 H 1.251 0.020 1 434 327 43 THR C C 176.843 0.400 1 435 327 43 THR CA C 66.473 0.400 1 436 327 43 THR CB C 68.070 0.400 1 437 327 43 THR CG2 C 22.133 0.400 1 438 327 43 THR N N 115.440 0.400 1 439 328 44 ASP H H 7.756 0.020 1 440 328 44 ASP HA H 4.526 0.020 1 441 328 44 ASP HB2 H 2.926 0.020 2 442 328 44 ASP HB3 H 2.833 0.020 2 443 328 44 ASP C C 177.647 0.400 1 444 328 44 ASP CA C 57.149 0.400 1 445 328 44 ASP CB C 40.920 0.400 1 446 328 44 ASP N N 124.544 0.400 1 447 329 45 ALA H H 8.715 0.020 1 448 329 45 ALA HA H 4.095 0.020 1 449 329 45 ALA HB H 1.557 0.020 1 450 329 45 ALA C C 179.243 0.400 1 451 329 45 ALA CA C 55.933 0.400 1 452 329 45 ALA CB C 19.428 0.400 1 453 329 45 ALA N N 121.237 0.400 1 454 330 46 LYS H H 7.876 0.020 1 455 330 46 LYS HA H 4.002 0.020 1 456 330 46 LYS HB2 H 1.947 0.020 2 457 330 46 LYS HB3 H 1.947 0.020 2 458 330 46 LYS HG2 H 1.621 0.020 2 459 330 46 LYS HG3 H 1.499 0.020 2 460 330 46 LYS HD2 H 1.732 0.020 2 461 330 46 LYS HD3 H 1.732 0.020 2 462 330 46 LYS HE2 H 3.000 0.020 2 463 330 46 LYS HE3 H 3.000 0.020 2 464 330 46 LYS C C 178.390 0.400 1 465 330 46 LYS CA C 59.634 0.400 1 466 330 46 LYS CB C 32.530 0.400 1 467 330 46 LYS CG C 25.040 0.400 1 468 330 46 LYS CD C 29.469 0.400 1 469 330 46 LYS CE C 42.211 0.400 1 470 330 46 LYS N N 116.644 0.400 1 471 331 47 TYR H H 7.557 0.020 1 472 331 47 TYR HA H 4.172 0.020 1 473 331 47 TYR HB2 H 3.152 0.020 2 474 331 47 TYR HB3 H 3.003 0.020 2 475 331 47 TYR HD1 H 6.425 0.020 1 476 331 47 TYR HD2 H 7.999 0.020 1 477 331 47 TYR HE1 H 6.646 0.020 1 478 331 47 TYR HE2 H 6.960 0.020 1 479 331 47 TYR C C 177.952 0.400 1 480 331 47 TYR CA C 61.009 0.400 1 481 331 47 TYR CB C 38.258 0.400 1 482 331 47 TYR CD1 C 133.247 0.400 1 483 331 47 TYR CD2 C 139.472 0.400 1 484 331 47 TYR CE1 C 118.014 0.400 1 485 331 47 TYR N N 119.783 0.400 1 486 332 48 HIS H H 8.215 0.020 1 487 332 48 HIS HA H 4.228 0.020 1 488 332 48 HIS HB2 H 2.791 0.020 2 489 332 48 HIS HB3 H 2.791 0.020 2 490 332 48 HIS C C 179.155 0.400 1 491 332 48 HIS CA C 59.991 0.400 1 492 332 48 HIS CB C 31.214 0.400 1 493 332 48 HIS N N 116.793 0.400 1 494 333 49 MET H H 8.967 0.020 1 495 333 49 MET HA H 4.415 0.020 1 496 333 49 MET HB2 H 2.235 0.020 2 497 333 49 MET HB3 H 2.086 0.020 2 498 333 49 MET HG2 H 2.578 0.020 2 499 333 49 MET HG3 H 2.578 0.020 2 500 333 49 MET HE H 2.089 0.020 1 501 333 49 MET C C 178.846 0.400 1 502 333 49 MET CA C 58.202 0.400 1 503 333 49 MET CB C 31.228 0.400 1 504 333 49 MET CG C 32.145 0.400 1 505 333 49 MET CE C 16.911 0.400 1 506 333 49 MET N N 118.382 0.400 1 507 334 50 GLN H H 8.243 0.020 1 508 334 50 GLN HA H 3.923 0.020 1 509 334 50 GLN HB2 H 2.154 0.020 2 510 334 50 GLN HB3 H 2.154 0.020 2 511 334 50 GLN HG2 H 2.476 0.020 2 512 334 50 GLN HG3 H 2.367 0.020 2 513 334 50 GLN HE21 H 7.996 0.020 2 514 334 50 GLN HE22 H 6.829 0.020 2 515 334 50 GLN C C 178.366 0.400 1 516 334 50 GLN CA C 58.777 0.400 1 517 334 50 GLN CB C 27.854 0.400 1 518 334 50 GLN CG C 33.575 0.400 1 519 334 50 GLN N N 118.773 0.400 1 520 334 50 GLN NE2 N 115.257 0.400 1 521 335 51 ARG H H 7.171 0.020 1 522 335 51 ARG HA H 3.993 0.020 1 523 335 51 ARG HB2 H 1.766 0.020 2 524 335 51 ARG HB3 H 1.766 0.020 2 525 335 51 ARG HG2 H 1.541 0.020 2 526 335 51 ARG HG3 H 1.312 0.020 2 527 335 51 ARG HD2 H 2.703 0.020 2 528 335 51 ARG HD3 H 2.703 0.020 2 529 335 51 ARG C C 180.309 0.400 1 530 335 51 ARG CA C 59.572 0.400 1 531 335 51 ARG CB C 30.014 0.400 1 532 335 51 ARG CD C 42.868 0.400 1 533 335 51 ARG N N 118.007 0.400 1 534 336 52 CYS H H 8.413 0.020 1 535 336 52 CYS HA H 3.986 0.020 1 536 336 52 CYS HB2 H 2.778 0.020 2 537 336 52 CYS HB3 H 3.628 0.020 2 538 336 52 CYS C C 176.477 0.400 1 539 336 52 CYS CA C 65.132 0.400 1 540 336 52 CYS CB C 26.911 0.400 1 541 336 52 CYS N N 120.801 0.400 1 542 337 53 ILE H H 8.384 0.020 1 543 337 53 ILE HA H 4.245 0.020 1 544 337 53 ILE HB H 1.934 0.020 1 545 337 53 ILE HG12 H 1.021 0.020 2 546 337 53 ILE HG13 H 1.021 0.020 2 547 337 53 ILE HG2 H 0.972 0.020 1 548 337 53 ILE HD1 H 0.823 0.020 1 549 337 53 ILE C C 180.573 0.400 1 550 337 53 ILE CA C 64.660 0.400 1 551 337 53 ILE CB C 38.682 0.400 1 552 337 53 ILE CG1 C 29.716 0.400 1 553 337 53 ILE CG2 C 16.986 0.400 1 554 337 53 ILE CD1 C 13.638 0.400 1 555 337 53 ILE N N 122.594 0.400 1 556 338 54 ASP H H 9.059 0.020 1 557 338 54 ASP HA H 4.446 0.020 1 558 338 54 ASP HB2 H 2.736 0.020 2 559 338 54 ASP HB3 H 2.545 0.020 2 560 338 54 ASP C C 178.176 0.400 1 561 338 54 ASP CA C 57.438 0.400 1 562 338 54 ASP CB C 40.648 0.400 1 563 338 54 ASP N N 121.683 0.400 1 564 339 55 SER H H 7.755 0.020 1 565 339 55 SER HA H 4.584 0.020 1 566 339 55 SER HB2 H 3.716 0.020 2 567 339 55 SER HB3 H 3.639 0.020 2 568 339 55 SER C C 174.949 0.400 1 569 339 55 SER CA C 58.648 0.400 1 570 339 55 SER CB C 65.489 0.400 1 571 339 55 SER N N 110.406 0.400 1 572 340 56 GLY H H 7.728 0.020 1 573 340 56 GLY HA2 H 4.202 0.020 2 574 340 56 GLY HA3 H 3.786 0.020 2 575 340 56 GLY C C 173.630 0.400 1 576 340 56 GLY CA C 45.450 0.400 1 577 340 56 GLY N N 110.203 0.400 1 578 341 57 LEU H H 8.034 0.020 1 579 341 57 LEU HA H 4.115 0.020 1 580 341 57 LEU HB2 H 1.505 0.020 2 581 341 57 LEU HB3 H 1.403 0.020 2 582 341 57 LEU HG H 1.426 0.020 1 583 341 57 LEU HD1 H 0.722 0.020 2 584 341 57 LEU HD2 H 0.667 0.020 2 585 341 57 LEU C C 176.398 0.400 1 586 341 57 LEU CA C 57.189 0.400 1 587 341 57 LEU CB C 43.075 0.400 1 588 341 57 LEU CG C 26.831 0.400 1 589 341 57 LEU CD1 C 24.542 0.400 1 590 341 57 LEU CD2 C 24.935 0.400 1 591 341 57 LEU N N 122.062 0.400 1 592 342 58 TRP H H 7.433 0.020 1 593 342 58 TRP HA H 4.964 0.020 1 594 342 58 TRP HB2 H 3.023 0.020 2 595 342 58 TRP HB3 H 2.947 0.020 2 596 342 58 TRP HD1 H 7.132 0.020 1 597 342 58 TRP HE1 H 10.195 0.020 1 598 342 58 TRP HE3 H 7.484 0.020 1 599 342 58 TRP HZ2 H 7.348 0.020 1 600 342 58 TRP HZ3 H 6.921 0.020 1 601 342 58 TRP HH2 H 7.038 0.020 1 602 342 58 TRP C C 173.573 0.400 1 603 342 58 TRP CA C 55.522 0.400 1 604 342 58 TRP CB C 32.786 0.400 1 605 342 58 TRP CD1 C 125.791 0.400 1 606 342 58 TRP CE3 C 120.547 0.400 1 607 342 58 TRP CZ2 C 114.178 0.400 1 608 342 58 TRP CZ3 C 121.359 0.400 1 609 342 58 TRP CH2 C 124.197 0.400 1 610 342 58 TRP N N 116.259 0.400 1 611 342 58 TRP NE1 N 129.132 0.400 1 612 343 59 VAL H H 7.896 0.020 1 613 343 59 VAL HA H 4.218 0.020 1 614 343 59 VAL HB H 1.894 0.020 1 615 343 59 VAL HG1 H 0.823 0.020 2 616 343 59 VAL HG2 H 0.831 0.020 2 617 343 59 VAL CG1 C 21.135 0.400 1 618 343 59 VAL CG2 C 20.239 0.400 1 619 343 59 VAL N N 126.451 0.400 1 620 344 60 PRO HD2 H 3.172 0.020 2 621 344 60 PRO HD3 H 3.461 0.020 2 622 344 60 PRO CD C 50.546 0.400 1 623 345 61 ASN HA H 4.646 0.020 1 624 345 61 ASN HB2 H 2.810 0.020 2 625 345 61 ASN HB3 H 2.767 0.020 2 626 345 61 ASN HD21 H 7.602 0.020 2 627 345 61 ASN HD22 H 6.896 0.020 2 628 345 61 ASN CA C 53.794 0.400 1 629 345 61 ASN CB C 38.725 0.400 1 630 345 61 ASN ND2 N 112.543 0.400 1 631 348 64 ALA H H 8.637 0.020 1 632 348 64 ALA HA H 4.320 0.020 1 633 348 64 ALA HB H 1.422 0.020 1 634 348 64 ALA C C 178.059 0.400 1 635 348 64 ALA CA C 52.867 0.400 1 636 348 64 ALA CB C 19.128 0.400 1 637 348 64 ALA N N 124.716 0.400 1 638 349 65 SER H H 8.229 0.020 1 639 349 65 SER HA H 4.426 0.020 1 640 349 65 SER HB2 H 3.887 0.020 2 641 349 65 SER HB3 H 3.887 0.020 2 642 349 65 SER C C 174.628 0.400 1 643 349 65 SER CA C 58.569 0.400 1 644 349 65 SER CB C 63.827 0.400 1 645 349 65 SER N N 114.746 0.400 1 646 350 66 GLU H H 8.308 0.020 1 647 350 66 GLU HA H 4.314 0.020 1 648 350 66 GLU HB2 H 2.077 0.020 2 649 350 66 GLU HB3 H 1.934 0.020 2 650 350 66 GLU HG2 H 2.265 0.020 2 651 350 66 GLU HG3 H 2.265 0.020 2 652 350 66 GLU C C 176.101 0.400 1 653 350 66 GLU CA C 56.415 0.400 1 654 350 66 GLU CB C 30.314 0.400 1 655 350 66 GLU CG C 36.319 0.400 1 656 350 66 GLU N N 122.713 0.400 1 657 351 67 ALA H H 8.217 0.020 1 658 351 67 ALA HA H 4.303 0.020 1 659 351 67 ALA HB H 1.379 0.020 1 660 351 67 ALA C C 177.536 0.400 1 661 351 67 ALA CA C 52.389 0.400 1 662 351 67 ALA CB C 19.258 0.400 1 663 351 67 ALA N N 125.143 0.400 1 664 352 68 LYS H H 8.322 0.020 1 665 352 68 LYS HA H 4.339 0.020 1 666 352 68 LYS HB2 H 1.739 0.020 2 667 352 68 LYS HB3 H 1.739 0.020 2 668 352 68 LYS HG2 H 1.438 0.020 2 669 352 68 LYS HG3 H 1.438 0.020 2 670 352 68 LYS HD2 H 1.689 0.020 2 671 352 68 LYS HD3 H 1.689 0.020 2 672 352 68 LYS HE2 H 3.023 0.020 2 673 352 68 LYS HE3 H 3.023 0.020 2 674 352 68 LYS C C 176.588 0.400 1 675 352 68 LYS CA C 56.052 0.400 1 676 352 68 LYS CB C 33.241 0.400 1 677 352 68 LYS CG C 24.606 0.400 1 678 352 68 LYS CD C 29.076 0.400 1 679 352 68 LYS CE C 42.178 0.400 1 680 352 68 LYS N N 121.415 0.400 1 681 353 69 GLU H H 8.489 0.020 1 682 353 69 GLU HA H 4.277 0.020 1 683 353 69 GLU HB2 H 2.016 0.020 2 684 353 69 GLU HB3 H 1.974 0.020 2 685 353 69 GLU HG2 H 2.269 0.020 2 686 353 69 GLU HG3 H 2.269 0.020 2 687 353 69 GLU C C 177.075 0.400 1 688 353 69 GLU CA C 56.934 0.400 1 689 353 69 GLU CB C 30.224 0.400 1 690 353 69 GLU CG C 36.237 0.400 1 691 353 69 GLU N N 122.517 0.400 1 692 354 70 GLY H H 8.515 0.020 1 693 354 70 GLY HA2 H 4.009 0.020 2 694 354 70 GLY HA3 H 3.954 0.020 2 695 354 70 GLY C C 174.220 0.400 1 696 354 70 GLY CA C 45.345 0.400 1 697 354 70 GLY N N 110.658 0.400 1 698 355 71 GLU H H 8.181 0.020 1 699 355 71 GLU HA H 4.324 0.020 1 700 355 71 GLU HB2 H 2.066 0.020 2 701 355 71 GLU HB3 H 1.925 0.020 2 702 355 71 GLU HG2 H 2.233 0.020 2 703 355 71 GLU HG3 H 2.233 0.020 2 704 355 71 GLU C C 176.604 0.400 1 705 355 71 GLU CA C 56.393 0.400 1 706 355 71 GLU CB C 30.469 0.400 1 707 355 71 GLU CG C 36.334 0.400 1 708 355 71 GLU N N 120.448 0.400 1 709 356 72 GLU H H 8.526 0.020 1 710 356 72 GLU HA H 4.274 0.020 1 711 356 72 GLU HB2 H 2.061 0.020 2 712 356 72 GLU HB3 H 1.942 0.020 2 713 356 72 GLU HG2 H 2.266 0.020 2 714 356 72 GLU HG3 H 2.266 0.020 2 715 356 72 GLU C C 176.172 0.400 1 716 356 72 GLU CA C 56.549 0.400 1 717 356 72 GLU CB C 30.260 0.400 1 718 356 72 GLU CG C 36.234 0.400 1 719 356 72 GLU N N 122.099 0.400 1 720 357 73 ALA H H 8.345 0.020 1 721 357 73 ALA HA H 4.370 0.020 1 722 357 73 ALA HB H 1.408 0.020 1 723 357 73 ALA C C 177.938 0.400 1 724 357 73 ALA CA C 52.506 0.400 1 725 357 73 ALA CB C 19.585 0.400 1 726 357 73 ALA N N 125.548 0.400 1 727 358 74 GLY H H 8.262 0.020 1 728 358 74 GLY HA2 H 4.209 0.020 2 729 358 74 GLY HA3 H 4.209 0.020 2 730 358 74 GLY CA C 44.729 0.400 1 731 358 74 GLY N N 108.542 0.400 1 732 359 75 PRO HA H 4.438 0.020 1 733 359 75 PRO HB2 H 2.290 0.020 2 734 359 75 PRO HB3 H 2.290 0.020 2 735 359 75 PRO HG2 H 2.018 0.020 2 736 359 75 PRO HG3 H 2.018 0.020 2 737 359 75 PRO HD2 H 3.659 0.020 2 738 359 75 PRO HD3 H 3.659 0.020 2 739 359 75 PRO C C 177.625 0.400 1 740 359 75 PRO CA C 63.793 0.400 1 741 359 75 PRO CB C 32.217 0.400 1 742 359 75 PRO CG C 27.129 0.400 1 743 359 75 PRO CD C 49.732 0.400 1 744 360 76 GLY H H 8.422 0.020 1 745 360 76 GLY HA2 H 3.923 0.020 2 746 360 76 GLY HA3 H 3.923 0.020 2 747 360 76 GLY C C 173.455 0.400 1 748 360 76 GLY CA C 44.893 0.400 1 749 360 76 GLY N N 109.322 0.400 1 750 361 77 ASP H H 8.132 0.020 1 751 361 77 ASP HB2 H 2.540 0.020 2 752 361 77 ASP HB3 H 2.540 0.020 2 753 361 77 ASP N N 121.888 0.400 1 754 362 78 PRO HA H 4.399 0.020 1 755 362 78 PRO HB2 H 2.294 0.020 2 756 362 78 PRO HB3 H 2.294 0.020 2 757 362 78 PRO HG2 H 2.012 0.020 2 758 362 78 PRO HG3 H 1.910 0.020 2 759 362 78 PRO HD2 H 3.840 0.020 2 760 362 78 PRO HD3 H 3.840 0.020 2 761 362 78 PRO C C 177.280 0.400 1 762 362 78 PRO CA C 63.756 0.400 1 763 362 78 PRO CB C 32.219 0.400 1 764 362 78 PRO CG C 27.248 0.400 1 765 362 78 PRO CD C 50.928 0.400 1 766 363 79 LEU H H 8.370 0.020 1 767 363 79 LEU HA H 4.284 0.020 1 768 363 79 LEU HB2 H 1.595 0.020 2 769 363 79 LEU HB3 H 1.595 0.020 2 770 363 79 LEU HG H 1.643 0.020 1 771 363 79 LEU HD1 H 0.889 0.020 2 772 363 79 LEU HD2 H 0.853 0.020 2 773 363 79 LEU C C 177.647 0.400 1 774 363 79 LEU CA C 55.500 0.400 1 775 363 79 LEU CB C 41.776 0.400 1 776 363 79 LEU CG C 27.156 0.400 1 777 363 79 LEU CD1 C 25.023 0.400 1 778 363 79 LEU CD2 C 23.465 0.400 1 779 363 79 LEU N N 120.709 0.400 1 780 364 80 LEU H H 7.903 0.020 1 781 364 80 LEU HA H 4.340 0.020 1 782 364 80 LEU HB2 H 1.621 0.020 2 783 364 80 LEU HB3 H 1.621 0.020 2 784 364 80 LEU HG H 1.630 0.020 1 785 364 80 LEU HD1 H 0.927 0.020 2 786 364 80 LEU HD2 H 0.878 0.020 2 787 364 80 LEU C C 177.360 0.400 1 788 364 80 LEU CA C 55.198 0.400 1 789 364 80 LEU CB C 42.367 0.400 1 790 364 80 LEU CG C 26.940 0.400 1 791 364 80 LEU CD1 C 25.033 0.400 1 792 364 80 LEU CD2 C 23.490 0.400 1 793 364 80 LEU N N 121.784 0.400 1 794 365 81 GLU H H 8.104 0.020 1 795 365 81 GLU HA H 4.270 0.020 1 796 365 81 GLU HB2 H 2.046 0.020 2 797 365 81 GLU HB3 H 1.903 0.020 2 798 365 81 GLU HG2 H 2.242 0.020 2 799 365 81 GLU HG3 H 2.242 0.020 2 800 365 81 GLU C C 175.954 0.400 1 801 365 81 GLU CA C 56.486 0.400 1 802 365 81 GLU CB C 30.425 0.400 1 803 365 81 GLU CG C 36.348 0.400 1 804 365 81 GLU N N 121.066 0.400 1 805 366 82 ALA H H 8.155 0.020 1 806 366 82 ALA HA H 4.328 0.020 1 807 366 82 ALA HB H 1.361 0.020 1 808 366 82 ALA C C 177.335 0.400 1 809 366 82 ALA CA C 52.361 0.400 1 810 366 82 ALA CB C 19.323 0.400 1 811 366 82 ALA N N 124.942 0.400 1 812 367 83 VAL H H 8.016 0.020 1 813 367 83 VAL HA H 4.379 0.020 1 814 367 83 VAL HG1 H 0.934 0.020 2 815 367 83 VAL HG2 H 0.954 0.020 2 816 367 83 VAL CA C 59.851 0.400 1 817 367 83 VAL CG1 C 21.398 0.400 1 818 367 83 VAL CG2 C 20.588 0.400 1 819 367 83 VAL N N 120.970 0.400 1 820 368 84 PRO HA H 4.365 0.020 1 821 368 84 PRO HB2 H 2.289 0.020 2 822 368 84 PRO HB3 H 2.289 0.020 2 823 368 84 PRO HG2 H 2.021 0.020 2 824 368 84 PRO HG3 H 1.868 0.020 2 825 368 84 PRO HD2 H 3.879 0.020 2 826 368 84 PRO HD3 H 3.681 0.020 2 827 368 84 PRO C C 176.737 0.400 1 828 368 84 PRO CA C 63.297 0.400 1 829 368 84 PRO CB C 32.241 0.400 1 830 368 84 PRO CG C 27.483 0.400 1 831 368 84 PRO CD C 51.050 0.400 1 832 369 85 LYS H H 8.469 0.020 1 833 369 85 LYS HA H 4.415 0.020 1 834 369 85 LYS HB2 H 1.812 0.020 2 835 369 85 LYS HB3 H 1.812 0.020 2 836 369 85 LYS HG2 H 1.486 0.020 2 837 369 85 LYS HG3 H 1.486 0.020 2 838 369 85 LYS HD2 H 1.704 0.020 2 839 369 85 LYS HD3 H 1.704 0.020 2 840 369 85 LYS HE2 H 3.017 0.020 2 841 369 85 LYS HE3 H 3.017 0.020 2 842 369 85 LYS C C 177.024 0.400 1 843 369 85 LYS CA C 56.111 0.400 1 844 369 85 LYS CB C 33.187 0.400 1 845 369 85 LYS CG C 24.697 0.400 1 846 369 85 LYS CD C 29.084 0.400 1 847 369 85 LYS CE C 42.221 0.400 1 848 369 85 LYS N N 122.406 0.400 1 849 370 86 THR H H 8.358 0.020 1 850 370 86 THR HA H 4.389 0.020 1 851 370 86 THR HB H 4.248 0.020 1 852 370 86 THR HG2 H 1.209 0.020 1 853 370 86 THR C C 175.159 0.400 1 854 370 86 THR CA C 61.871 0.400 1 855 370 86 THR CB C 70.171 0.400 1 856 370 86 THR CG2 C 21.599 0.400 1 857 370 86 THR N N 115.455 0.400 1 858 371 87 GLY H H 8.543 0.020 1 859 371 87 GLY HA2 H 4.012 0.020 2 860 371 87 GLY HA3 H 4.012 0.020 2 861 371 87 GLY C C 173.914 0.400 1 862 371 87 GLY CA C 45.398 0.400 1 863 371 87 GLY N N 111.361 0.400 1 864 372 88 ASP H H 8.270 0.020 1 865 372 88 ASP HA H 4.630 0.020 1 866 372 88 ASP HB2 H 2.671 0.020 2 867 372 88 ASP HB3 H 2.599 0.020 2 868 372 88 ASP C C 176.463 0.400 1 869 372 88 ASP CA C 54.334 0.400 1 870 372 88 ASP CB C 41.165 0.400 1 871 372 88 ASP N N 120.708 0.400 1 872 373 89 GLU H H 8.517 0.020 1 873 373 89 GLU HA H 4.251 0.020 1 874 373 89 GLU HB2 H 2.027 0.020 2 875 373 89 GLU HB3 H 1.982 0.020 2 876 373 89 GLU HG2 H 2.279 0.020 2 877 373 89 GLU HG3 H 2.279 0.020 2 878 373 89 GLU C C 176.596 0.400 1 879 373 89 GLU CA C 57.102 0.400 1 880 373 89 GLU CB C 29.934 0.400 1 881 373 89 GLU CG C 36.345 0.400 1 882 373 89 GLU N N 121.392 0.400 1 883 374 90 LYS H H 8.286 0.020 1 884 374 90 LYS HA H 4.285 0.020 1 885 374 90 LYS HB2 H 1.783 0.020 2 886 374 90 LYS HB3 H 1.783 0.020 2 887 374 90 LYS HG2 H 1.391 0.020 2 888 374 90 LYS HG3 H 1.391 0.020 2 889 374 90 LYS HD2 H 1.677 0.020 2 890 374 90 LYS HD3 H 1.677 0.020 2 891 374 90 LYS HE2 H 3.005 0.020 2 892 374 90 LYS HE3 H 3.005 0.020 2 893 374 90 LYS C C 176.229 0.400 1 894 374 90 LYS CA C 56.391 0.400 1 895 374 90 LYS CB C 33.069 0.400 1 896 374 90 LYS CG C 24.521 0.400 1 897 374 90 LYS CD C 29.072 0.400 1 898 374 90 LYS CE C 42.167 0.400 1 899 374 90 LYS N N 121.569 0.400 1 900 375 91 ASP H H 8.308 0.020 1 901 375 91 ASP HA H 4.629 0.020 1 902 375 91 ASP HB2 H 2.734 0.020 2 903 375 91 ASP HB3 H 2.628 0.020 2 904 375 91 ASP C C 176.127 0.400 1 905 375 91 ASP CA C 54.434 0.400 1 906 375 91 ASP CB C 40.918 0.400 1 907 375 91 ASP N N 121.544 0.400 1 908 376 92 VAL H H 8.015 0.020 1 909 376 92 VAL HA H 4.029 0.020 1 910 376 92 VAL HB H 2.127 0.020 1 911 376 92 VAL HG1 H 0.978 0.020 2 912 376 92 VAL HG2 H 0.916 0.020 2 913 376 92 VAL C C 176.114 0.400 1 914 376 92 VAL CA C 61.988 0.400 1 915 376 92 VAL CB C 32.737 0.400 1 916 376 92 VAL CG1 C 21.112 0.400 1 917 376 92 VAL CG2 C 20.130 0.400 1 918 376 92 VAL N N 119.657 0.400 1 919 377 93 SER H H 8.416 0.020 1 920 377 93 SER HA H 4.515 0.020 1 921 377 93 SER HB2 H 3.866 0.020 2 922 377 93 SER HB3 H 3.866 0.020 2 923 377 93 SER C C 173.607 0.400 1 924 377 93 SER CA C 58.450 0.400 1 925 377 93 SER CB C 63.987 0.400 1 926 377 93 SER N N 120.254 0.400 1 927 378 94 VAL H H 7.709 0.020 1 928 378 94 VAL HG1 H 0.906 0.020 2 929 378 94 VAL HG2 H 0.875 0.020 2 930 378 94 VAL CG1 C 21.678 0.400 1 931 378 94 VAL CG2 C 20.110 0.400 1 932 378 94 VAL N N 125.790 0.400 1 stop_ save_