data_18763 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; FGFR3tm ; _BMRB_accession_number 18763 _BMRB_flat_file_name bmr18763.str _Entry_type original _Submission_date 2012-10-04 _Accession_date 2012-10-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'dimer of transmembrane domain of human fibroblast growth factor receptor 3' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lesovoy Dmitry M. . 2 Bocharov Eduard V. . 3 Goncharuk Sergey A. . 4 Arseniev Alexander S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 248 "13C chemical shifts" 189 "15N chemical shifts" 47 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2013-10-24 update author 'update entry citation' 2013-10-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of FGFR3 transmembrane domain dimer: implications for signaling and human pathologies.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24120763 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bocharov Eduard V. . 2 Lesovoy Dmitry M. . 3 Goncharuk Sergey A. . 4 Goncharuk Marina V. . 5 Hristova Kalina . . 6 Arseniev Alexander S. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 21 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2087 _Page_last 2093 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FGFR3tm _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FGFR3tm_1 $FGFR3tm FGFR3tm_2 $FGFR3tm 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_FGFR3tm _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FGFR3tm _Molecular_mass 4604.369 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; LPAEEELVEADEAGSVYAGI LSYGVGFFLFILVVAAVTLC RLR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 357 LEU 2 358 PRO 3 359 ALA 4 360 GLU 5 361 GLU 6 362 GLU 7 363 LEU 8 364 VAL 9 365 GLU 10 366 ALA 11 367 ASP 12 368 GLU 13 369 ALA 14 370 GLY 15 371 SER 16 372 VAL 17 373 TYR 18 374 ALA 19 375 GLY 20 376 ILE 21 377 LEU 22 378 SER 23 379 TYR 24 380 GLY 25 381 VAL 26 382 GLY 27 383 PHE 28 384 PHE 29 385 LEU 30 386 PHE 31 387 ILE 32 388 LEU 33 389 VAL 34 390 VAL 35 391 ALA 36 392 ALA 37 393 VAL 38 394 THR 39 395 LEU 40 396 CYS 41 397 ARG 42 398 LEU 43 399 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LZL Fgfr3tm 100.00 43 100.00 100.00 2.51e-19 DBJ BAD92678 "fibroblast growth factor receptor 3 isoform 1 precursor variant [Homo sapiens]" 100.00 879 100.00 100.00 5.72e-19 DBJ BAI45440 "fibroblast growth factor receptor 3 [synthetic construct]" 100.00 792 100.00 100.00 5.20e-19 DBJ BAI45449 "fibroblast growth factor receptor 3 [synthetic construct]" 100.00 806 100.00 100.00 5.30e-19 GB AAA52450 "fibroblast growth factor receptor [Homo sapiens]" 100.00 806 100.00 100.00 5.30e-19 GB AAA58470 "growth factor receptor, partial [Homo sapiens]" 100.00 731 97.67 100.00 1.34e-18 GB AAB33323 "fibroblast growth factor receptor 3, partial [Homo sapiens]" 90.70 55 97.44 97.44 1.77e-15 GB AAI21176 "FGFR3 protein, partial [Homo sapiens]" 100.00 480 100.00 100.00 3.14e-19 GB AAI28611 "FGFR3 protein, partial [Homo sapiens]" 100.00 480 100.00 100.00 3.14e-19 REF NP_000133 "fibroblast growth factor receptor 3 isoform 1 precursor [Homo sapiens]" 100.00 806 100.00 100.00 5.30e-19 REF NP_001156685 "fibroblast growth factor receptor 3 isoform 3 precursor [Homo sapiens]" 95.35 808 100.00 100.00 3.03e-17 REF XP_001101108 "PREDICTED: fibroblast growth factor receptor 3 isoform 3 [Macaca mulatta]" 100.00 806 100.00 100.00 5.30e-19 REF XP_002802213 "PREDICTED: fibroblast growth factor receptor 3 [Macaca mulatta]" 95.35 808 100.00 100.00 3.37e-17 REF XP_003310269 "PREDICTED: fibroblast growth factor receptor 3 isoform X5 [Pan troglodytes]" 95.35 808 100.00 100.00 3.18e-17 SP P22607 "RecName: Full=Fibroblast growth factor receptor 3; Short=FGFR-3; AltName: CD_antigen=CD333; Flags: Precursor" 100.00 806 100.00 100.00 5.30e-19 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FGFR3tm 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 $FGFR3tm 'recombinant technology' . Escherichia coli . pGEMEX-1/(TRX-tmFGFR3) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR3tm 0.75 mM '[U-99% 13C; U-99% 15N]' $FGFR3tm 0.75 mM 'natural abundance' DPC 88 mM '[U-99% 2H]' SDS 10 mM '[U-99% 2H]' 'sodium azide' 0.3 mM 'natural abundance' TCEP 6 mM 'natural abundance' 'citric acid' 5 mM 'natural abundance' Na2HPO4 15 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' 'Institute of Biophysical Chemistry and the Frankfurt Institute of Advanced Studies (FIAS) of the Goethe University Frankfurt am Main' http://www.cyana.org/wiki/index.php/Main_Page stop_ loop_ _Task 'structure solution' stop_ _Details 'Linux version' save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' ; Institute of Molecular Biology and Biophysics, ETH Z rich rkeller@nmr.ch ; http://cara.nmr.ch/doku.php stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Linux version' save_ save_Mathematica _Saveframe_category software _Name Mathematica _Version . loop_ _Vendor _Address _Electronic_address 'Wolfram Research' . http://www.wolfram.com/mathematica/ stop_ loop_ _Task 'data analysis' stop_ _Details 'Linux version' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_2D_1H-13C_constant_time_HSQC_aliphatic_3 _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_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C constant time HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_15N,13C-F1-filtered/F3-edited-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 15N,13C-F1-filtered/F3-edited-NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 5.7 . pH pressure 1 . atm temperature 313 . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-15N TROSY' '2D 1H-13C constant time HSQC aliphatic' '2D 1H-13C constant time HSQC aromatic' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNHA' '3D HNHB' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FGFR3tm_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 1 357 1 LEU HA H 4.232 0.020 1 2 357 1 LEU HB2 H 1.839 0.020 1 3 357 1 LEU HB3 H 1.839 0.020 1 4 357 1 LEU HG H 1.832 0.020 1 5 357 1 LEU HD1 H 1.080 0.020 1 6 357 1 LEU HD2 H 1.071 0.020 1 7 357 1 LEU CA C 56.339 0.400 1 8 357 1 LEU CB C 41.272 0.400 1 9 357 1 LEU CG C 25.957 0.400 1 10 357 1 LEU CD1 C 23.155 0.400 1 11 357 1 LEU CD2 C 24.739 0.400 1 12 358 2 PRO HA H 4.497 0.020 1 13 358 2 PRO HB2 H 2.353 0.020 1 14 358 2 PRO HB3 H 1.870 0.020 1 15 358 2 PRO HG2 H 2.092 0.020 1 16 358 2 PRO HG3 H 2.092 0.020 1 17 358 2 PRO HD2 H 3.797 0.020 1 18 358 2 PRO HD3 H 3.487 0.020 1 19 358 2 PRO C C 175.369 0.400 1 20 358 2 PRO CA C 62.556 0.400 1 21 358 2 PRO CB C 31.352 0.400 1 22 358 2 PRO CG C 26.985 0.400 1 23 358 2 PRO CD C 49.867 0.400 1 24 359 3 ALA H H 8.342 0.020 1 25 359 3 ALA HA H 4.247 0.020 1 26 359 3 ALA HB H 1.483 0.020 1 27 359 3 ALA C C 177.476 0.400 1 28 359 3 ALA CA C 52.308 0.400 1 29 359 3 ALA CB C 18.465 0.400 1 30 359 3 ALA N N 123.676 0.400 1 31 360 4 GLU H H 8.401 0.020 1 32 360 4 GLU HA H 4.150 0.020 1 33 360 4 GLU HB2 H 1.962 0.020 1 34 360 4 GLU HB3 H 2.039 0.020 1 35 360 4 GLU HG2 H 2.251 0.020 1 36 360 4 GLU HG3 H 2.211 0.020 1 37 360 4 GLU C C 176.229 0.400 1 38 360 4 GLU CA C 56.903 0.400 1 39 360 4 GLU CB C 28.168 0.400 1 40 360 4 GLU CG C 33.793 0.400 1 41 360 4 GLU N N 119.142 0.400 1 42 361 5 GLU H H 8.303 0.020 1 43 361 5 GLU HA H 4.181 0.020 1 44 361 5 GLU HB2 H 2.031 0.020 1 45 361 5 GLU HB3 H 1.914 0.020 1 46 361 5 GLU HG2 H 2.342 0.020 1 47 361 5 GLU HG3 H 2.342 0.020 1 48 361 5 GLU C C 175.868 0.400 1 49 361 5 GLU CA C 56.465 0.400 1 50 361 5 GLU CB C 28.033 0.400 1 51 361 5 GLU CG C 34.440 0.400 1 52 361 5 GLU N N 119.676 0.400 1 53 362 6 GLU H H 8.058 0.020 1 54 362 6 GLU HA H 4.201 0.020 1 55 362 6 GLU HB2 H 2.054 0.020 1 56 362 6 GLU HB3 H 2.054 0.020 1 57 362 6 GLU HG2 H 2.336 0.020 1 58 362 6 GLU HG3 H 2.336 0.020 1 59 362 6 GLU C C 175.757 0.400 1 60 362 6 GLU CA C 56.222 0.400 1 61 362 6 GLU CB C 28.458 0.400 1 62 362 6 GLU CG C 34.446 0.400 1 63 362 6 GLU N N 120.421 0.400 1 64 363 7 LEU H H 8.013 0.020 1 65 363 7 LEU HA H 4.234 0.020 1 66 363 7 LEU HB2 H 1.764 0.020 1 67 363 7 LEU HB3 H 1.764 0.020 1 68 363 7 LEU HG H 1.832 0.020 1 69 363 7 LEU HD1 H 1.063 0.020 1 70 363 7 LEU HD2 H 1.072 0.020 1 71 363 7 LEU C C 176.450 0.400 1 72 363 7 LEU CA C 56.201 0.400 1 73 363 7 LEU CB C 41.301 0.400 1 74 363 7 LEU CG C 25.897 0.400 1 75 363 7 LEU CD1 C 24.739 0.400 1 76 363 7 LEU CD2 C 23.155 0.400 1 77 363 7 LEU N N 122.513 0.400 1 78 364 8 VAL H H 7.888 0.020 1 79 364 8 VAL HA H 4.075 0.020 1 80 364 8 VAL HB H 2.067 0.020 1 81 364 8 VAL HG1 H 1.022 0.020 1 82 364 8 VAL HG2 H 1.020 0.020 1 83 364 8 VAL C C 175.503 0.400 1 84 364 8 VAL CA C 61.769 0.400 1 85 364 8 VAL CB C 32.058 0.400 1 86 364 8 VAL CG1 C 20.693 0.400 1 87 364 8 VAL CG2 C 20.667 0.400 1 88 364 8 VAL N N 119.958 0.400 1 89 365 9 GLU H H 8.243 0.020 1 90 365 9 GLU HA H 4.221 0.020 1 91 365 9 GLU HB2 H 2.039 0.020 1 92 365 9 GLU HB3 H 1.906 0.020 1 93 365 9 GLU HG2 H 2.378 0.020 1 94 365 9 GLU HG3 H 2.378 0.020 1 95 365 9 GLU C C 175.586 0.400 1 96 365 9 GLU CA C 55.814 0.400 1 97 365 9 GLU CB C 28.917 0.400 1 98 365 9 GLU CG C 33.862 0.400 1 99 365 9 GLU N N 123.770 0.400 1 100 366 10 ALA H H 8.172 0.020 1 101 366 10 ALA HA H 4.251 0.020 1 102 366 10 ALA HB H 1.454 0.020 1 103 366 10 ALA C C 176.891 0.400 1 104 366 10 ALA CA C 52.288 0.400 1 105 366 10 ALA CB C 17.273 0.400 1 106 366 10 ALA N N 124.860 0.400 1 107 367 11 ASP H H 8.227 0.020 1 108 367 11 ASP HA H 4.541 0.020 1 109 367 11 ASP HB2 H 2.853 0.020 1 110 367 11 ASP HB3 H 2.762 0.020 1 111 367 11 ASP C C 175.854 0.400 1 112 367 11 ASP CA C 54.038 0.400 1 113 367 11 ASP CB C 38.722 0.400 1 114 367 11 ASP N N 119.351 0.400 1 115 368 12 GLU H H 8.240 0.020 1 116 368 12 GLU HA H 4.221 0.020 1 117 368 12 GLU HB2 H 2.058 0.020 1 118 368 12 GLU HB3 H 1.934 0.020 1 119 368 12 GLU HG2 H 2.498 0.020 1 120 368 12 GLU HG3 H 2.403 0.020 1 121 368 12 GLU C C 175.871 0.400 1 122 368 12 GLU CA C 56.153 0.400 1 123 368 12 GLU CB C 28.058 0.400 1 124 368 12 GLU CG C 33.349 0.400 1 125 368 12 GLU N N 120.898 0.400 1 126 369 13 ALA H H 8.211 0.020 1 127 369 13 ALA HA H 4.200 0.020 1 128 369 13 ALA HB H 1.506 0.020 1 129 369 13 ALA C C 177.710 0.400 1 130 369 13 ALA CA C 53.025 0.400 1 131 369 13 ALA CB C 18.297 0.400 1 132 369 13 ALA N N 124.052 0.400 1 133 370 14 GLY H H 8.260 0.020 1 134 370 14 GLY HA2 H 4.035 0.020 1 135 370 14 GLY HA3 H 4.035 0.020 1 136 370 14 GLY C C 173.797 0.400 1 137 370 14 GLY CA C 44.925 0.400 1 138 370 14 GLY N N 106.939 0.400 1 139 371 15 SER H H 8.031 0.020 1 140 371 15 SER HA H 4.410 0.020 1 141 371 15 SER HB2 H 3.990 0.020 1 142 371 15 SER HB3 H 3.874 0.020 1 143 371 15 SER C C 175.503 0.400 1 144 371 15 SER CA C 58.354 0.400 1 145 371 15 SER CB C 63.073 0.400 1 146 371 15 SER N N 115.674 0.400 1 147 372 16 VAL H H 8.395 0.020 1 148 372 16 VAL HA H 3.888 0.020 1 149 372 16 VAL HB H 2.040 0.020 1 150 372 16 VAL HG1 H 0.848 0.020 1 151 372 16 VAL HG2 H 0.966 0.020 1 152 372 16 VAL C C 175.837 0.400 1 153 372 16 VAL CA C 63.667 0.400 1 154 372 16 VAL CB C 31.136 0.400 1 155 372 16 VAL CG1 C 20.396 0.400 1 156 372 16 VAL CG2 C 20.825 0.400 1 157 372 16 VAL N N 122.743 0.400 1 158 373 17 TYR H H 7.873 0.020 1 159 373 17 TYR HA H 4.360 0.020 1 160 373 17 TYR HB2 H 3.062 0.020 1 161 373 17 TYR HB3 H 2.931 0.020 1 162 373 17 TYR HD1 H 7.095 0.020 1 163 373 17 TYR HD2 H 7.095 0.020 1 164 373 17 TYR HE1 H 6.849 0.020 1 165 373 17 TYR HE2 H 6.849 0.020 1 166 373 17 TYR C C 175.419 0.400 1 167 373 17 TYR CA C 58.684 0.400 1 168 373 17 TYR CB C 37.783 0.400 1 169 373 17 TYR CD1 C 131.957 0.400 1 170 373 17 TYR CE1 C 117.793 0.400 1 171 373 17 TYR N N 118.772 0.400 1 172 374 18 ALA H H 7.783 0.020 1 173 374 18 ALA HA H 4.033 0.020 1 174 374 18 ALA HB H 1.544 0.020 1 175 374 18 ALA C C 178.546 0.400 1 176 374 18 ALA CA C 53.955 0.400 1 177 374 18 ALA CB C 18.175 0.400 1 178 374 18 ALA N N 121.455 0.400 1 179 375 19 GLY H H 8.163 0.020 1 180 375 19 GLY HA2 H 4.016 0.020 1 181 375 19 GLY HA3 H 4.016 0.020 1 182 375 19 GLY C C 174.516 0.400 1 183 375 19 GLY CA C 45.756 0.400 1 184 375 19 GLY N N 106.616 0.400 1 185 376 20 ILE H H 7.982 0.020 1 186 376 20 ILE HA H 4.056 0.020 1 187 376 20 ILE HB H 1.999 0.020 1 188 376 20 ILE HG12 H 1.713 0.020 1 189 376 20 ILE HG13 H 1.185 0.020 1 190 376 20 ILE HG2 H 1.019 0.020 1 191 376 20 ILE HD1 H 0.954 0.020 1 192 376 20 ILE C C 176.004 0.400 1 193 376 20 ILE CA C 62.911 0.400 1 194 376 20 ILE CB C 37.656 0.400 1 195 376 20 ILE CG1 C 28.140 0.400 1 196 376 20 ILE CG2 C 17.209 0.400 1 197 376 20 ILE CD1 C 13.374 0.400 1 198 376 20 ILE N N 119.238 0.400 1 199 377 21 LEU H H 7.983 0.020 1 200 377 21 LEU HA H 4.084 0.020 1 201 377 21 LEU HB2 H 1.813 0.020 1 202 377 21 LEU HB3 H 1.576 0.020 1 203 377 21 LEU HG H 1.700 0.020 1 204 377 21 LEU HD1 H 0.928 0.020 1 205 377 21 LEU HD2 H 0.928 0.020 1 206 377 21 LEU C C 177.108 0.400 1 207 377 21 LEU CA C 56.865 0.400 1 208 377 21 LEU CB C 41.424 0.400 1 209 377 21 LEU CG C 26.450 0.400 1 210 377 21 LEU CD1 C 24.499 0.400 1 211 377 21 LEU CD2 C 23.177 0.400 1 212 377 21 LEU N N 119.788 0.400 1 213 378 22 SER H H 7.838 0.020 1 214 378 22 SER HA H 4.142 0.020 1 215 378 22 SER HB2 H 3.708 0.020 1 216 378 22 SER HB3 H 3.834 0.020 1 217 378 22 SER C C 174.985 0.400 1 218 378 22 SER CA C 60.562 0.400 1 219 378 22 SER CB C 62.572 0.400 1 220 378 22 SER N N 113.794 0.400 1 221 379 23 TYR H H 7.798 0.020 1 222 379 23 TYR HA H 4.298 0.020 1 223 379 23 TYR HB2 H 2.997 0.020 1 224 379 23 TYR HB3 H 2.974 0.020 1 225 379 23 TYR HD1 H 7.134 0.020 1 226 379 23 TYR HD2 H 7.134 0.020 1 227 379 23 TYR HE1 H 6.795 0.020 1 228 379 23 TYR HE2 H 6.795 0.020 1 229 379 23 TYR C C 176.968 0.400 1 230 379 23 TYR CA C 59.807 0.400 1 231 379 23 TYR CB C 37.722 0.400 1 232 379 23 TYR CD1 C 131.947 0.400 1 233 379 23 TYR CE1 C 117.452 0.400 1 234 379 23 TYR N N 119.434 0.400 1 235 380 24 GLY H H 8.423 0.020 1 236 380 24 GLY HA2 H 3.791 0.020 1 237 380 24 GLY HA3 H 3.791 0.020 1 238 380 24 GLY C C 174.065 0.400 1 239 380 24 GLY CA C 47.252 0.400 1 240 380 24 GLY N N 106.495 0.400 1 241 381 25 VAL H H 8.408 0.020 1 242 381 25 VAL HA H 3.760 0.020 1 243 381 25 VAL HB H 2.217 0.020 1 244 381 25 VAL HG1 H 1.080 0.020 1 245 381 25 VAL HG2 H 1.187 0.020 1 246 381 25 VAL C C 177.040 0.400 1 247 381 25 VAL CA C 66.109 0.400 1 248 381 25 VAL CB C 30.894 0.400 1 249 381 25 VAL CG1 C 20.963 0.400 1 250 381 25 VAL CG2 C 22.665 0.400 1 251 381 25 VAL N N 120.614 0.400 1 252 382 26 GLY H H 8.394 0.020 1 253 382 26 GLY HA2 H 3.951 0.020 1 254 382 26 GLY HA3 H 3.951 0.020 1 255 382 26 GLY C C 173.547 0.400 1 256 382 26 GLY CA C 46.933 0.400 1 257 382 26 GLY N N 106.490 0.400 1 258 383 27 PHE H H 8.500 0.020 1 259 383 27 PHE HA H 4.282 0.020 1 260 383 27 PHE HB2 H 3.299 0.020 1 261 383 27 PHE HB3 H 3.299 0.020 1 262 383 27 PHE HD1 H 7.112 0.020 1 263 383 27 PHE HD2 H 7.112 0.020 1 264 383 27 PHE HE1 H 7.134 0.020 1 265 383 27 PHE HE2 H 7.134 0.020 1 266 383 27 PHE HZ H 7.008 0.020 1 267 383 27 PHE C C 175.861 0.400 1 268 383 27 PHE CA C 60.779 0.400 1 269 383 27 PHE CB C 38.669 0.400 1 270 383 27 PHE CD2 C 131.004 0.400 1 271 383 27 PHE CE2 C 129.948 0.400 1 272 383 27 PHE CZ C 128.219 0.400 1 273 383 27 PHE N N 120.502 0.400 1 274 384 28 PHE H H 8.211 0.020 1 275 384 28 PHE HA H 4.068 0.020 1 276 384 28 PHE HB2 H 3.227 0.020 1 277 384 28 PHE HB3 H 3.194 0.020 1 278 384 28 PHE HD1 H 7.197 0.020 1 279 384 28 PHE HD2 H 7.197 0.020 1 280 384 28 PHE HE1 H 7.172 0.020 1 281 384 28 PHE HE2 H 7.172 0.020 1 282 384 28 PHE HZ H 7.109 0.020 1 283 384 28 PHE C C 175.991 0.400 1 284 384 28 PHE CA C 60.974 0.400 1 285 384 28 PHE CB C 38.513 0.400 1 286 384 28 PHE CD2 C 130.910 0.400 1 287 384 28 PHE CE2 C 129.892 0.400 1 288 384 28 PHE CZ C 128.372 0.400 1 289 384 28 PHE N N 118.012 0.400 1 290 385 29 LEU H H 8.428 0.020 1 291 385 29 LEU HA H 3.841 0.020 1 292 385 29 LEU HB2 H 1.914 0.020 1 293 385 29 LEU HB3 H 1.435 0.020 1 294 385 29 LEU HG H 1.917 0.020 1 295 385 29 LEU HD1 H 0.913 0.020 1 296 385 29 LEU HD2 H 0.888 0.020 1 297 385 29 LEU C C 177.069 0.400 1 298 385 29 LEU CA C 57.403 0.400 1 299 385 29 LEU CB C 40.946 0.400 1 300 385 29 LEU CG C 26.246 0.400 1 301 385 29 LEU CD1 C 24.596 0.400 1 302 385 29 LEU CD2 C 22.740 0.400 1 303 385 29 LEU N N 117.459 0.400 1 304 386 30 PHE H H 8.149 0.020 1 305 386 30 PHE HA H 3.986 0.020 1 306 386 30 PHE HB2 H 3.236 0.020 1 307 386 30 PHE HB3 H 3.041 0.020 1 308 386 30 PHE HD1 H 7.000 0.020 1 309 386 30 PHE HD2 H 7.000 0.020 1 310 386 30 PHE HE1 H 7.047 0.020 1 311 386 30 PHE HE2 H 7.047 0.020 1 312 386 30 PHE HZ H 6.904 0.020 1 313 386 30 PHE C C 175.574 0.400 1 314 386 30 PHE CA C 60.974 0.400 1 315 386 30 PHE CB C 38.339 0.400 1 316 386 30 PHE CD2 C 130.957 0.400 1 317 386 30 PHE CE2 C 129.705 0.400 1 318 386 30 PHE CZ C 127.995 0.400 1 319 386 30 PHE N N 118.179 0.400 1 320 387 31 ILE H H 7.951 0.020 1 321 387 31 ILE HA H 3.246 0.020 1 322 387 31 ILE HB H 1.842 0.020 1 323 387 31 ILE HG12 H 1.288 0.020 1 324 387 31 ILE HG13 H 1.012 0.020 1 325 387 31 ILE HG2 H 0.743 0.020 1 326 387 31 ILE HD1 H 0.634 0.020 1 327 387 31 ILE C C 175.905 0.400 1 328 387 31 ILE CA C 63.373 0.400 1 329 387 31 ILE CB C 35.754 0.400 1 330 387 31 ILE CG1 C 27.515 0.400 1 331 387 31 ILE CG2 C 16.796 0.400 1 332 387 31 ILE CD1 C 11.264 0.400 1 333 387 31 ILE N N 117.287 0.400 1 334 388 32 LEU H H 7.875 0.020 1 335 388 32 LEU HA H 3.765 0.020 1 336 388 32 LEU HB2 H 1.635 0.020 1 337 388 32 LEU HB3 H 1.409 0.020 1 338 388 32 LEU HG H 1.501 0.020 1 339 388 32 LEU HD1 H 0.737 0.020 1 340 388 32 LEU HD2 H 0.730 0.020 1 341 388 32 LEU C C 177.687 0.400 1 342 388 32 LEU CA C 57.785 0.400 1 343 388 32 LEU CB C 40.930 0.400 1 344 388 32 LEU CG C 25.969 0.400 1 345 388 32 LEU CD1 C 23.121 0.400 1 346 388 32 LEU CD2 C 24.265 0.400 1 347 388 32 LEU N N 119.643 0.400 1 348 389 33 VAL H H 8.040 0.020 1 349 389 33 VAL HA H 3.421 0.020 1 350 389 33 VAL HB H 2.111 0.020 1 351 389 33 VAL HG1 H 0.879 0.020 1 352 389 33 VAL HG2 H 1.065 0.020 1 353 389 33 VAL C C 176.896 0.400 1 354 389 33 VAL CA C 66.705 0.400 1 355 389 33 VAL CB C 30.482 0.400 1 356 389 33 VAL CG1 C 20.929 0.400 1 357 389 33 VAL CG2 C 22.535 0.400 1 358 389 33 VAL N N 117.991 0.400 1 359 390 34 VAL H H 8.091 0.020 1 360 390 34 VAL HA H 3.265 0.020 1 361 390 34 VAL HB H 1.810 0.020 1 362 390 34 VAL HG1 H 0.755 0.020 1 363 390 34 VAL HG2 H 0.499 0.020 1 364 390 34 VAL C C 178.707 0.400 1 365 390 34 VAL CA C 66.509 0.400 1 366 390 34 VAL CB C 30.439 0.400 1 367 390 34 VAL CG1 C 20.998 0.400 1 368 390 34 VAL CG2 C 22.375 0.400 1 369 390 34 VAL N N 118.708 0.400 1 370 391 35 ALA H H 8.801 0.020 1 371 391 35 ALA HA H 3.806 0.020 1 372 391 35 ALA HB H 1.465 0.020 1 373 391 35 ALA C C 177.586 0.400 1 374 391 35 ALA CA C 55.067 0.400 1 375 391 35 ALA CB C 17.264 0.400 1 376 391 35 ALA N N 123.870 0.400 1 377 392 36 ALA H H 8.491 0.020 1 378 392 36 ALA HA H 3.922 0.020 1 379 392 36 ALA HB H 1.514 0.020 1 380 392 36 ALA C C 178.808 0.400 1 381 392 36 ALA CA C 55.169 0.400 1 382 392 36 ALA CB C 18.021 0.400 1 383 392 36 ALA N N 119.704 0.400 1 384 393 37 VAL H H 8.479 0.020 1 385 393 37 VAL HA H 3.519 0.020 1 386 393 37 VAL HB H 2.065 0.020 1 387 393 37 VAL HG1 H 0.937 0.020 1 388 393 37 VAL HG2 H 1.085 0.020 1 389 393 37 VAL C C 174.066 0.400 1 390 393 37 VAL CA C 66.113 0.400 1 391 393 37 VAL CB C 31.613 0.400 1 392 393 37 VAL CG1 C 21.084 0.400 1 393 393 37 VAL CG2 C 22.493 0.400 1 394 393 37 VAL N N 116.061 0.400 1 395 394 38 THR H H 8.414 0.020 1 396 394 38 THR HA H 3.698 0.020 1 397 394 38 THR HB H 4.195 0.020 1 398 394 38 THR HG2 H 1.265 0.020 1 399 394 38 THR C C 175.868 0.400 1 400 394 38 THR CA C 67.307 0.400 1 401 394 38 THR CB C 67.335 0.400 1 402 394 38 THR CG2 C 20.966 0.400 1 403 394 38 THR N N 120.638 0.400 1 404 395 39 LEU H H 8.356 0.020 1 405 395 39 LEU HA H 4.008 0.020 1 406 395 39 LEU HB2 H 1.895 0.020 1 407 395 39 LEU HB3 H 1.536 0.020 1 408 395 39 LEU HG H 1.823 0.020 1 409 395 39 LEU HD1 H 0.949 0.020 1 410 395 39 LEU HD2 H 0.981 0.020 1 411 395 39 LEU C C 178.210 0.400 1 412 395 39 LEU CA C 57.298 0.400 1 413 395 39 LEU CB C 41.349 0.400 1 414 395 39 LEU CG C 26.633 0.400 1 415 395 39 LEU CD1 C 23.256 0.400 1 416 395 39 LEU CD2 C 24.586 0.400 1 417 395 39 LEU N N 119.786 0.400 1 418 396 40 CYS H H 7.907 0.020 1 419 396 40 CYS HA H 4.185 0.020 1 420 396 40 CYS HB2 H 3.065 0.020 1 421 396 40 CYS HB3 H 2.904 0.020 1 422 396 40 CYS C C 175.397 0.400 1 423 396 40 CYS CA C 62.032 0.400 1 424 396 40 CYS CB C 26.660 0.400 1 425 396 40 CYS N N 114.171 0.400 1 426 397 41 ARG H H 7.851 0.020 1 427 397 41 ARG HA H 4.327 0.020 1 428 397 41 ARG HB2 H 1.913 0.020 1 429 397 41 ARG HB3 H 2.025 0.020 1 430 397 41 ARG HG2 H 1.814 0.020 1 431 397 41 ARG HG3 H 1.814 0.020 1 432 397 41 ARG HD2 H 3.218 0.020 1 433 397 41 ARG HD3 H 3.124 0.020 1 434 397 41 ARG HE H 7.578 0.020 1 435 397 41 ARG HH11 H 6.886 0.020 1 436 397 41 ARG HH12 H 6.886 0.020 1 437 397 41 ARG HH21 H 6.908 0.020 1 438 397 41 ARG HH22 H 6.908 0.020 1 439 397 41 ARG C C 176.077 0.400 1 440 397 41 ARG CA C 55.841 0.400 1 441 397 41 ARG CB C 29.749 0.400 1 442 397 41 ARG CG C 26.752 0.400 1 443 397 41 ARG CD C 42.095 0.400 1 444 397 41 ARG CZ C 159.350 0.400 1 445 397 41 ARG N N 117.060 0.400 1 446 397 41 ARG NE N 84.170 0.400 1 447 397 41 ARG NH1 N 72.241 0.400 1 448 397 41 ARG NH2 N 72.244 0.400 1 449 398 42 LEU H H 7.745 0.020 1 450 398 42 LEU HA H 4.332 0.020 1 451 398 42 LEU HB2 H 1.787 0.020 1 452 398 42 LEU HB3 H 1.612 0.020 1 453 398 42 LEU HG H 1.661 0.020 1 454 398 42 LEU HD1 H 0.975 0.020 1 455 398 42 LEU HD2 H 0.952 0.020 1 456 398 42 LEU C C 175.424 0.400 1 457 398 42 LEU CA C 54.871 0.400 1 458 398 42 LEU CB C 42.004 0.400 1 459 398 42 LEU CG C 26.842 0.400 1 460 398 42 LEU CD1 C 25.205 0.400 1 461 398 42 LEU CD2 C 22.702 0.400 1 462 398 42 LEU N N 118.975 0.400 1 463 399 43 ARG H H 7.337 0.020 1 464 399 43 ARG HA H 4.140 0.020 1 465 399 43 ARG HB2 H 1.894 0.020 1 466 399 43 ARG HB3 H 1.787 0.020 1 467 399 43 ARG HG2 H 1.666 0.020 1 468 399 43 ARG HG3 H 1.571 0.020 1 469 399 43 ARG HD2 H 3.269 0.020 1 470 399 43 ARG HD3 H 3.269 0.020 1 471 399 43 ARG HE H 7.468 0.020 1 472 399 43 ARG HH11 H 6.814 0.020 1 473 399 43 ARG HH12 H 6.814 0.020 1 474 399 43 ARG HH21 H 6.835 0.020 1 475 399 43 ARG HH22 H 6.835 0.020 1 476 399 43 ARG CA C 56.291 0.400 1 477 399 43 ARG CB C 30.597 0.400 1 478 399 43 ARG CG C 26.694 0.400 1 479 399 43 ARG CD C 42.869 0.400 1 480 399 43 ARG CZ C 159.267 0.400 1 481 399 43 ARG N N 123.154 0.400 1 482 399 43 ARG NE N 84.927 0.400 1 483 399 43 ARG NH1 N 72.266 0.400 1 484 399 43 ARG NH2 N 72.302 0.400 1 stop_ save_