data_27284 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain resonance assignment of the H-NOX domain from Shewanella woodyi in the Fe(II)CO ligation state ; _BMRB_accession_number 27284 _BMRB_flat_file_name bmr27284.str _Entry_type original _Submission_date 2017-10-16 _Accession_date 2017-10-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Montfort William R. . 2 Chen Cheng-Yu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 961 "13C chemical shifts" 657 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2018-01-29 original author 'original release' stop_ _Original_release_date 2017-10-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Discovery of stimulator binding to a conserved pocket in the heme domain of soluble guanylyl cyclase. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29222330 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wales Jessica A. . 2 Chen Cheng-Yu Y. . 3 Breci Linda . . 4 Weichsel Andrzej . . 5 Bernier Sylvie G. . 6 Sheppeck James E. . 7 Solinga Robert . . 8 Nakai Takashi . . 9 Renhowe Paul A. . 10 Jung Joon . . 11 Montfort William R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 293 _Journal_issue 5 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1850 _Page_last 1864 _Year 2018 _Details . loop_ _Keyword NMR sGC 'stimulator binding' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SWHNOX-HEME-CO _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SWHNOX $SWHNOX HEME $entity_HEM CO $entity_CMO stop_ _System_molecular_weight 23544 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SWHNOX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SWHNOX _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; MMGMVFTGLMELIEDEFGYE TLDTLLESCELQSEGIYTSV GSYDHQELLQLVVKLSEVSS VPVTELVRLFGKKLFVELIE GHPEIANEMKDSFDLLSKID SFIHVEVYKLYPQAELPKFT CDRLGDNDIRLHYQSKRPFA SFAEGLLDGCAEYFKEDFTI SRTPETQDSETDVIFNITRA PRGAENLYFQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 GLY 4 MET 5 VAL 6 PHE 7 THR 8 GLY 9 LEU 10 MET 11 GLU 12 LEU 13 ILE 14 GLU 15 ASP 16 GLU 17 PHE 18 GLY 19 TYR 20 GLU 21 THR 22 LEU 23 ASP 24 THR 25 LEU 26 LEU 27 GLU 28 SER 29 CYS 30 GLU 31 LEU 32 GLN 33 SER 34 GLU 35 GLY 36 ILE 37 TYR 38 THR 39 SER 40 VAL 41 GLY 42 SER 43 TYR 44 ASP 45 HIS 46 GLN 47 GLU 48 LEU 49 LEU 50 GLN 51 LEU 52 VAL 53 VAL 54 LYS 55 LEU 56 SER 57 GLU 58 VAL 59 SER 60 SER 61 VAL 62 PRO 63 VAL 64 THR 65 GLU 66 LEU 67 VAL 68 ARG 69 LEU 70 PHE 71 GLY 72 LYS 73 LYS 74 LEU 75 PHE 76 VAL 77 GLU 78 LEU 79 ILE 80 GLU 81 GLY 82 HIS 83 PRO 84 GLU 85 ILE 86 ALA 87 ASN 88 GLU 89 MET 90 LYS 91 ASP 92 SER 93 PHE 94 ASP 95 LEU 96 LEU 97 SER 98 LYS 99 ILE 100 ASP 101 SER 102 PHE 103 ILE 104 HIS 105 VAL 106 GLU 107 VAL 108 TYR 109 LYS 110 LEU 111 TYR 112 PRO 113 GLN 114 ALA 115 GLU 116 LEU 117 PRO 118 LYS 119 PHE 120 THR 121 CYS 122 ASP 123 ARG 124 LEU 125 GLY 126 ASP 127 ASN 128 ASP 129 ILE 130 ARG 131 LEU 132 HIS 133 TYR 134 GLN 135 SER 136 LYS 137 ARG 138 PRO 139 PHE 140 ALA 141 SER 142 PHE 143 ALA 144 GLU 145 GLY 146 LEU 147 LEU 148 ASP 149 GLY 150 CYS 151 ALA 152 GLU 153 TYR 154 PHE 155 LYS 156 GLU 157 ASP 158 PHE 159 THR 160 ILE 161 SER 162 ARG 163 THR 164 PRO 165 GLU 166 THR 167 GLN 168 ASP 169 SER 170 GLU 171 THR 172 ASP 173 VAL 174 ILE 175 PHE 176 ASN 177 ILE 178 THR 179 ARG 180 ALA 181 PRO 182 ARG 183 GLY 184 ALA 185 GLU 186 ASN 187 LEU 188 TYR 189 PHE 190 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_HEM _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_HEM (PROTOPORPHYRIN IX CONTAINING FE)" _BMRB_code HEM _PDB_code HEM _Molecular_mass 616.487 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? NA NA N . 0 . ? NB NB N . 0 . ? NC NC N . 0 . ? ND ND N . 0 . ? FE FE FE . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA HMA H . 0 . ? HMAA HMAA H . 0 . ? HMAB HMAB H . 0 . ? HAA HAA H . 0 . ? HAAA HAAA H . 0 . ? HBA HBA H . 0 . ? HBAA HBAA H . 0 . ? HMB HMB H . 0 . ? HMBA HMBA H . 0 . ? HMBB HMBB H . 0 . ? HAB HAB H . 0 . ? HBB HBB H . 0 . ? HBBA HBBA H . 0 . ? HMC HMC H . 0 . ? HMCA HMCA H . 0 . ? HMCB HMCB H . 0 . ? HAC HAC H . 0 . ? HBC HBC H . 0 . ? HBCA HBCA H . 0 . ? HMD HMD H . 0 . ? HMDA HMDA H . 0 . ? HMDB HMDB H . 0 . ? HAD HAD H . 0 . ? HADA HADA H . 0 . ? HBD HBD H . 0 . ? HBDA HBDA H . 0 . ? H2A H2A H . 0 . ? H2D H2D H . 0 . ? HHA HHA H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING CHA C1A ? ? DOUB CHA C4D ? ? SING CHA HHA ? ? SING CHB C4A ? ? DOUB CHB C1B ? ? SING CHB HHB ? ? SING CHC C4B ? ? DOUB CHC C1C ? ? SING CHC HHC ? ? DOUB CHD C4C ? ? SING CHD C1D ? ? SING CHD HHD ? ? DOUB C1A C2A ? ? SING C1A NA ? ? SING C2A C3A ? ? SING C2A CAA ? ? DOUB C3A C4A ? ? SING C3A CMA ? ? SING C4A NA ? ? SING CMA HMA ? ? SING CMA HMAA ? ? SING CMA HMAB ? ? SING CAA CBA ? ? SING CAA HAA ? ? SING CAA HAAA ? ? SING CBA CGA ? ? SING CBA HBA ? ? SING CBA HBAA ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING C1B C2B ? ? SING C1B NB ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? DOUB C4B NB ? ? SING CMB HMB ? ? SING CMB HMBA ? ? SING CMB HMBB ? ? DOUB CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB ? ? SING CBB HBBA ? ? SING C1C C2C ? ? SING C1C NC ? ? DOUB C2C C3C ? ? SING C2C CMC ? ? SING C3C C4C ? ? SING C3C CAC ? ? SING C4C NC ? ? SING CMC HMC ? ? SING CMC HMCA ? ? SING CMC HMCB ? ? DOUB CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC ? ? SING CBC HBCA ? ? SING C1D C2D ? ? DOUB C1D ND ? ? DOUB C2D C3D ? ? SING C2D CMD ? ? SING C3D C4D ? ? SING C3D CAD ? ? SING C4D ND ? ? SING CMD HMD ? ? SING CMD HMDA ? ? SING CMD HMDB ? ? SING CAD CBD ? ? SING CAD HAD ? ? SING CAD HADA ? ? SING CBD CGD ? ? SING CBD HBD ? ? SING CBD HBDA ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2A H2A ? ? SING O2D H2D ? ? SING FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_CMO _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CMO (CARBON MONOXIDE)" _BMRB_code CMO _PDB_code CMO _Molecular_mass 28.010 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . -1 . ? O O O . 1 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name TRIP C O ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SWHNOX 'Shewanella woodyi' 60961 Bacteria . Shewanella woodyi 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 $SWHNOX 'recombinant technology' . Escherichia coli Tuner(DE3)-pLysS pET21b+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Sample was reduced by dithionite and saturated with CO' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $SWHNOX 0.9 mM 0.8 1 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 4.0 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 8.9 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 3.131 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details 'NMRFAM-SPARKY 1.41' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 800 _Details 'with triple resonance Cold probe' 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-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Sample was saturated with CO and NMR tube was sealed.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 293.15 . 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 water C 13 protons ppm 4.84 internal direct . . . . water H 1 protons ppm 4.84 internal direct . . . 1 water N 15 protons ppm 4.84 internal direct . . . . 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_ _Software_label $VNMRJ $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D HCCH-COSY' 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 SWHNOX _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 2 2 MET HA H 5.467 0.02 . 2 2 2 MET HB2 H 2.995 0.01 . 3 2 2 MET HB3 H 2.833 0.01 . 4 2 2 MET CA C 56.938 0.09 . 5 2 2 MET CB C 35.773 0.00 . 6 3 3 GLY H H 8.998 0.00 . 7 3 3 GLY HA2 H 3.776 0.01 . 8 3 3 GLY HA3 H 4.917 0.02 . 9 3 3 GLY C C 175.646 0.00 . 10 3 3 GLY CA C 48.549 0.05 . 11 3 3 GLY N N 109.190 0.03 . 12 4 4 MET H H 9.076 0.00 . 13 4 4 MET HA H 4.342 0.01 . 14 4 4 MET HB2 H 1.864 0.01 . 15 4 4 MET HB3 H 2.269 0.02 . 16 4 4 MET HG2 H 2.623 0.00 . 17 4 4 MET HG3 H 1.928 0.00 . 18 4 4 MET C C 177.720 0.01 . 19 4 4 MET CA C 58.089 0.09 . 20 4 4 MET CB C 31.994 0.09 . 21 4 4 MET N N 116.252 0.02 . 22 5 5 VAL H H 7.908 0.01 . 23 5 5 VAL HA H 3.374 0.01 . 24 5 5 VAL HB H 2.066 0.02 . 25 5 5 VAL HG1 H 0.881 0.01 . 26 5 5 VAL HG2 H 0.514 0.00 . 27 5 5 VAL C C 177.032 0.01 . 28 5 5 VAL CA C 66.530 0.05 . 29 5 5 VAL CB C 31.559 0.15 . 30 5 5 VAL N N 122.716 0.02 . 31 6 6 PHE H H 6.792 0.02 . 32 6 6 PHE HA H 3.314 0.02 . 33 6 6 PHE HB2 H 2.323 0.02 . 34 6 6 PHE HB3 H 1.612 0.01 . 35 6 6 PHE HD1 H 7.189 0.02 . 36 6 6 PHE HD2 H 7.189 0.02 . 37 6 6 PHE HE1 H 7.450 0.00 . 38 6 6 PHE HE2 H 7.450 0.00 . 39 6 6 PHE C C 178.572 0.02 . 40 6 6 PHE CA C 62.161 0.09 . 41 6 6 PHE CB C 38.188 0.08 . 42 6 6 PHE CD1 C 131.533 0.19 . 43 6 6 PHE CD2 C 131.533 0.19 . 44 6 6 PHE CE1 C 131.929 0.00 . 45 6 6 PHE CE2 C 131.929 0.00 . 46 6 6 PHE N N 118.285 0.02 . 47 7 7 THR H H 8.872 0.01 . 48 7 7 THR HA H 3.772 0.01 . 49 7 7 THR HB H 4.022 0.01 . 50 7 7 THR HG2 H 1.140 0.00 . 51 7 7 THR C C 177.191 0.02 . 52 7 7 THR CA C 66.472 0.09 . 53 7 7 THR CB C 67.805 0.06 . 54 7 7 THR N N 113.966 0.02 . 55 8 8 GLY H H 7.548 0.01 . 56 8 8 GLY HA2 H 3.943 0.01 . 57 8 8 GLY HA3 H 3.428 0.01 . 58 8 8 GLY C C 175.804 0.00 . 59 8 8 GLY CA C 47.100 0.05 . 60 8 8 GLY N N 109.219 0.02 . 61 9 9 LEU H H 7.727 0.01 . 62 9 9 LEU HA H 4.384 0.02 . 63 9 9 LEU HB2 H 1.484 0.02 . 64 9 9 LEU HD1 H -0.049 0.01 . 65 9 9 LEU HD2 H 0.305 0.02 . 66 9 9 LEU C C 177.935 0.01 . 67 9 9 LEU CA C 57.494 0.03 . 68 9 9 LEU CB C 39.713 0.01 . 69 9 9 LEU CG C 27.044 0.00 . 70 9 9 LEU CD1 C 14.381 0.11 . 71 9 9 LEU N N 125.018 0.02 . 72 10 10 MET H H 8.330 0.01 . 73 10 10 MET HA H 3.777 0.01 . 74 10 10 MET HB2 H 2.264 0.00 . 75 10 10 MET HB3 H 2.048 0.01 . 76 10 10 MET HG2 H 2.854 0.00 . 77 10 10 MET C C 178.543 0.00 . 78 10 10 MET CA C 59.710 0.08 . 79 10 10 MET CB C 32.418 0.11 . 80 10 10 MET N N 118.197 0.08 . 81 11 11 GLU H H 7.947 0.01 . 82 11 11 GLU HA H 3.990 0.01 . 83 11 11 GLU HB2 H 2.052 0.01 . 84 11 11 GLU HB3 H 1.976 0.02 . 85 11 11 GLU HG2 H 2.423 0.01 . 86 11 11 GLU HG3 H 2.126 0.01 . 87 11 11 GLU C C 178.105 0.02 . 88 11 11 GLU CA C 59.368 0.07 . 89 11 11 GLU CB C 29.486 0.08 . 90 11 11 GLU CG C 36.520 0.00 . 91 11 11 GLU N N 119.060 0.03 . 92 12 12 LEU H H 7.497 0.00 . 93 12 12 LEU HA H 4.214 0.01 . 94 12 12 LEU HB2 H 1.586 0.02 . 95 12 12 LEU HB3 H 2.077 0.01 . 96 12 12 LEU HG H -0.071 0.00 . 97 12 12 LEU HD1 H 0.921 0.01 . 98 12 12 LEU HD2 H 0.777 0.01 . 99 12 12 LEU C C 178.594 0.01 . 100 12 12 LEU CA C 58.239 0.05 . 101 12 12 LEU CB C 41.453 0.07 . 102 12 12 LEU N N 120.521 0.02 . 103 13 13 ILE H H 8.561 0.01 . 104 13 13 ILE HA H 3.589 0.01 . 105 13 13 ILE HB H 1.869 0.01 . 106 13 13 ILE HG12 H 1.949 0.00 . 107 13 13 ILE HG13 H 1.949 0.00 . 108 13 13 ILE HG2 H 0.738 0.00 . 109 13 13 ILE HD1 H 0.527 0.00 . 110 13 13 ILE C C 177.870 0.02 . 111 13 13 ILE CA C 66.224 0.10 . 112 13 13 ILE CB C 37.468 0.08 . 113 13 13 ILE CG2 C 17.737 0.01 . 114 13 13 ILE CD1 C 13.808 0.07 . 115 13 13 ILE N N 118.226 0.06 . 116 14 14 GLU H H 8.159 0.01 . 117 14 14 GLU HA H 3.458 0.01 . 118 14 14 GLU HB2 H 1.693 0.00 . 119 14 14 GLU HB3 H 2.020 0.01 . 120 14 14 GLU HG2 H 2.216 0.00 . 121 14 14 GLU HG3 H 2.171 0.01 . 122 14 14 GLU C C 178.264 0.01 . 123 14 14 GLU CA C 60.227 0.07 . 124 14 14 GLU CB C 29.448 0.05 . 125 14 14 GLU CG C 36.359 0.19 . 126 14 14 GLU N N 119.713 0.02 . 127 15 15 ASP H H 8.289 0.01 . 128 15 15 ASP HA H 4.271 0.01 . 129 15 15 ASP HB2 H 2.762 0.01 . 130 15 15 ASP HB3 H 2.586 0.01 . 131 15 15 ASP C C 177.979 0.02 . 132 15 15 ASP CA C 57.368 0.09 . 133 15 15 ASP CB C 41.306 0.10 . 134 15 15 ASP N N 118.412 0.03 . 135 16 16 GLU H H 8.611 0.00 . 136 16 16 GLU HA H 3.957 0.01 . 137 16 16 GLU HB2 H 1.558 0.01 . 138 16 16 GLU HB3 H 1.237 0.00 . 139 16 16 GLU HG2 H 1.973 0.01 . 140 16 16 GLU HG3 H 1.625 0.00 . 141 16 16 GLU C C 177.602 0.02 . 142 16 16 GLU CA C 57.474 0.06 . 143 16 16 GLU CB C 30.284 0.03 . 144 16 16 GLU CG C 35.624 0.05 . 145 16 16 GLU N N 115.649 0.02 . 146 17 17 PHE H H 8.409 0.00 . 147 17 17 PHE HA H 4.701 0.01 . 148 17 17 PHE HB2 H 3.297 0.01 . 149 17 17 PHE HB3 H 2.924 0.01 . 150 17 17 PHE HD1 H 7.317 0.00 . 151 17 17 PHE HD2 H 7.317 0.00 . 152 17 17 PHE C C 176.781 0.03 . 153 17 17 PHE CA C 58.141 0.10 . 154 17 17 PHE CB C 40.125 0.06 . 155 17 17 PHE CD1 C 131.231 0.00 . 156 17 17 PHE CD2 C 131.231 0.00 . 157 17 17 PHE N N 114.340 0.02 . 158 18 18 GLY H H 7.778 0.01 . 159 18 18 GLY HA2 H 4.621 0.01 . 160 18 18 GLY HA3 H 4.064 0.01 . 161 18 18 GLY C C 174.504 0.00 . 162 18 18 GLY CA C 44.756 0.05 . 163 18 18 GLY N N 111.584 0.02 . 164 19 19 TYR H H 8.748 0.00 . 165 19 19 TYR HA H 3.937 0.01 . 166 19 19 TYR HB2 H 3.159 0.01 . 167 19 19 TYR HB3 H 2.966 0.01 . 168 19 19 TYR HD1 H 7.077 0.01 . 169 19 19 TYR HD2 H 7.077 0.01 . 170 19 19 TYR HE1 H 6.769 0.00 . 171 19 19 TYR HE2 H 6.769 0.00 . 172 19 19 TYR C C 176.815 0.05 . 173 19 19 TYR CA C 61.695 0.06 . 174 19 19 TYR CB C 37.776 0.07 . 175 19 19 TYR N N 121.486 0.02 . 176 20 20 GLU H H 8.868 0.01 . 177 20 20 GLU HA H 3.913 0.01 . 178 20 20 GLU HB2 H 1.926 0.01 . 179 20 20 GLU HB3 H 1.922 0.02 . 180 20 20 GLU HG2 H 2.109 0.01 . 181 20 20 GLU HG3 H 2.215 0.01 . 182 20 20 GLU C C 179.388 0.02 . 183 20 20 GLU CA C 59.669 0.15 . 184 20 20 GLU CB C 28.691 0.10 . 185 20 20 GLU CG C 36.668 0.08 . 186 20 20 GLU N N 119.668 0.02 . 187 21 21 THR H H 7.537 0.00 . 188 21 21 THR HA H 3.728 0.01 . 189 21 21 THR HB H 3.925 0.01 . 190 21 21 THR HG2 H 0.805 0.00 . 191 21 21 THR C C 175.322 0.00 . 192 21 21 THR CA C 66.550 0.08 . 193 21 21 THR CB C 67.596 0.08 . 194 21 21 THR N N 117.066 0.03 . 195 22 22 LEU H H 7.159 0.01 . 196 22 22 LEU HA H 3.812 0.02 . 197 22 22 LEU HB2 H 1.964 0.01 . 198 22 22 LEU HB3 H 1.080 0.01 . 199 22 22 LEU HD1 H 0.942 0.01 . 200 22 22 LEU HD2 H 0.736 0.01 . 201 22 22 LEU C C 176.994 0.00 . 202 22 22 LEU CA C 58.651 0.04 . 203 22 22 LEU CB C 41.167 0.09 . 204 22 22 LEU N N 122.002 0.03 . 205 23 23 ASP H H 8.352 0.01 . 206 23 23 ASP HA H 4.197 0.01 . 207 23 23 ASP HB2 H 2.463 0.01 . 208 23 23 ASP HB3 H 2.526 0.01 . 209 23 23 ASP C C 178.838 0.02 . 210 23 23 ASP CA C 57.701 0.06 . 211 23 23 ASP CB C 40.842 0.07 . 212 23 23 ASP N N 118.287 0.01 . 213 24 24 THR H H 7.856 0.00 . 214 24 24 THR HA H 3.891 0.03 . 215 24 24 THR HB H 4.213 0.01 . 216 24 24 THR HG2 H 1.157 0.00 . 217 24 24 THR C C 176.992 0.02 . 218 24 24 THR CA C 66.207 0.12 . 219 24 24 THR CB C 68.373 0.36 . 220 24 24 THR N N 115.039 0.01 . 221 25 25 LEU H H 8.157 0.01 . 222 25 25 LEU HA H 3.327 0.01 . 223 25 25 LEU HB2 H 1.498 0.01 . 224 25 25 LEU HB3 H 1.740 0.00 . 225 25 25 LEU HG H 1.045 0.01 . 226 25 25 LEU HD1 H -0.066 0.00 . 227 25 25 LEU HD2 H 0.326 0.00 . 228 25 25 LEU C C 178.922 0.01 . 229 25 25 LEU CA C 58.568 0.01 . 230 25 25 LEU CB C 41.822 0.03 . 231 25 25 LEU CG C 25.324 0.07 . 232 25 25 LEU CD1 C 20.935 0.07 . 233 25 25 LEU CD2 C 26.722 0.07 . 234 25 25 LEU N N 124.049 0.02 . 235 26 26 LEU H H 8.326 0.01 . 236 26 26 LEU HA H 3.843 0.01 . 237 26 26 LEU HB2 H 1.868 0.01 . 238 26 26 LEU HB3 H 1.389 0.01 . 239 26 26 LEU HG H 1.779 0.00 . 240 26 26 LEU HD1 H 0.868 0.01 . 241 26 26 LEU HD2 H 0.754 0.01 . 242 26 26 LEU C C 179.438 0.02 . 243 26 26 LEU CA C 57.933 0.08 . 244 26 26 LEU CB C 40.835 0.11 . 245 26 26 LEU N N 118.267 0.03 . 246 27 27 GLU H H 7.737 0.00 . 247 27 27 GLU HA H 4.095 0.01 . 248 27 27 GLU HB2 H 2.053 0.01 . 249 27 27 GLU HB3 H 2.053 0.01 . 250 27 27 GLU HG2 H 2.295 0.01 . 251 27 27 GLU HG3 H 2.244 0.00 . 252 27 27 GLU C C 178.098 0.02 . 253 27 27 GLU CA C 58.084 0.09 . 254 27 27 GLU CB C 29.827 0.14 . 255 27 27 GLU CG C 36.061 0.02 . 256 27 27 GLU N N 116.795 0.02 . 257 28 28 SER H H 7.740 0.01 . 258 28 28 SER HA H 4.434 0.01 . 259 28 28 SER HB2 H 3.933 0.01 . 260 28 28 SER HB3 H 3.917 0.00 . 261 28 28 SER C C 174.793 0.02 . 262 28 28 SER CA C 59.710 0.10 . 263 28 28 SER CB C 64.300 0.05 . 264 28 28 SER N N 112.315 0.02 . 265 29 29 CYS H H 7.537 0.01 . 266 29 29 CYS HA H 4.421 0.02 . 267 29 29 CYS HB3 H 2.627 0.01 . 268 29 29 CYS C C 173.007 0.01 . 269 29 29 CYS CA C 58.275 0.17 . 270 29 29 CYS CB C 29.159 0.16 . 271 29 29 CYS N N 119.003 0.02 . 272 30 30 GLU H H 8.488 0.01 . 273 30 30 GLU HA H 4.259 0.02 . 274 30 30 GLU HB2 H 1.944 0.01 . 275 30 30 GLU HB3 H 1.892 0.02 . 276 30 30 GLU HG2 H 2.091 0.01 . 277 30 30 GLU HG3 H 2.195 0.00 . 278 30 30 GLU C C 175.158 0.00 . 279 30 30 GLU CA C 56.022 0.28 . 280 30 30 GLU CB C 28.934 0.09 . 281 30 30 GLU N N 122.621 0.02 . 282 31 31 LEU H H 8.412 0.01 . 283 31 31 LEU HA H 4.496 0.01 . 284 31 31 LEU HB2 H 1.446 0.00 . 285 31 31 LEU HB3 H 1.401 0.01 . 286 31 31 LEU HD1 H 0.758 0.01 . 287 31 31 LEU HD2 H -3.242 0.00 . 288 31 31 LEU C C 178.572 0.06 . 289 31 31 LEU CA C 53.298 0.06 . 290 31 31 LEU CB C 42.516 0.03 . 291 31 31 LEU N N 124.463 0.04 . 292 32 32 GLN H H 9.307 0.00 . 293 32 32 GLN HA H 4.063 0.01 . 294 32 32 GLN HB2 H 2.192 0.01 . 295 32 32 GLN HB3 H 2.464 0.01 . 296 32 32 GLN HG2 H 2.459 0.00 . 297 32 32 GLN HG3 H 2.181 0.01 . 298 32 32 GLN C C 177.618 0.00 . 299 32 32 GLN CA C 58.665 0.07 . 300 32 32 GLN CB C 28.436 0.06 . 301 32 32 GLN CG C 34.043 0.09 . 302 32 32 GLN N N 127.404 0.02 . 303 33 33 SER H H 8.798 0.01 . 304 33 33 SER HA H 4.227 0.02 . 305 33 33 SER HB2 H 3.721 0.03 . 306 33 33 SER HB3 H 3.782 0.00 . 307 33 33 SER C C 175.969 0.02 . 308 33 33 SER CA C 58.918 0.12 . 309 33 33 SER CB C 63.326 0.02 . 310 33 33 SER N N 114.132 0.02 . 311 34 34 GLU H H 7.871 0.00 . 312 34 34 GLU HA H 3.819 0.01 . 313 34 34 GLU HB2 H 2.135 0.01 . 314 34 34 GLU HB3 H 2.105 0.01 . 315 34 34 GLU HG2 H 2.858 0.01 . 316 34 34 GLU HG3 H 2.858 0.01 . 317 34 34 GLU C C 175.500 0.07 . 318 34 34 GLU CA C 57.492 0.11 . 319 34 34 GLU CB C 27.986 0.04 . 320 34 34 GLU CG C 36.645 0.05 . 321 34 34 GLU N N 116.357 0.02 . 322 35 35 GLY H H 8.181 0.01 . 323 35 35 GLY HA2 H 3.662 0.02 . 324 35 35 GLY HA3 H 3.128 0.01 . 325 35 35 GLY C C 172.617 0.00 . 326 35 35 GLY CA C 45.496 0.11 . 327 35 35 GLY N N 106.278 0.02 . 328 36 36 ILE H H 6.635 0.01 . 329 36 36 ILE HA H 3.783 0.01 . 330 36 36 ILE HB H 1.651 0.01 . 331 36 36 ILE HG12 H 1.231 0.01 . 332 36 36 ILE HG13 H 0.861 0.01 . 333 36 36 ILE HG2 H 0.676 0.00 . 334 36 36 ILE HD1 H 0.650 0.01 . 335 36 36 ILE C C 174.322 0.03 . 336 36 36 ILE CA C 59.737 0.08 . 337 36 36 ILE CB C 37.346 0.06 . 338 36 36 ILE CG2 C 12.164 0.07 . 339 36 36 ILE CD1 C 17.056 0.00 . 340 36 36 ILE N N 120.302 0.02 . 341 37 37 TYR H H 8.097 0.01 . 342 37 37 TYR HA H 4.391 0.02 . 343 37 37 TYR HB2 H 2.237 0.00 . 344 37 37 TYR HB3 H 2.359 0.01 . 345 37 37 TYR HD1 H 6.850 0.01 . 346 37 37 TYR HD2 H 6.850 0.01 . 347 37 37 TYR C C 176.136 0.01 . 348 37 37 TYR CA C 56.382 0.06 . 349 37 37 TYR CB C 40.519 0.08 . 350 37 37 TYR N N 125.098 0.03 . 351 38 38 THR H H 8.739 0.00 . 352 38 38 THR HA H 4.860 0.02 . 353 38 38 THR HB H 4.347 0.00 . 354 38 38 THR HG2 H 1.244 0.00 . 355 38 38 THR C C 176.469 0.00 . 356 38 38 THR CA C 60.649 0.02 . 357 38 38 THR CB C 69.929 0.05 . 358 38 38 THR N N 116.747 0.03 . 359 39 39 SER H H 9.036 0.02 . 360 39 39 SER HA H 4.136 0.02 . 361 39 39 SER HB2 H 4.024 0.00 . 362 39 39 SER HB3 H 3.986 0.01 . 363 39 39 SER C C 175.904 0.00 . 364 39 39 SER CA C 61.714 0.09 . 365 39 39 SER CB C 63.153 0.06 . 366 39 39 SER N N 121.568 0.02 . 367 40 40 VAL H H 7.479 0.01 . 368 40 40 VAL HA H 4.790 0.02 . 369 40 40 VAL HB H 2.464 0.02 . 370 40 40 VAL HG1 H 1.040 0.01 . 371 40 40 VAL HG2 H 0.915 0.01 . 372 40 40 VAL C C 177.555 0.02 . 373 40 40 VAL CA C 60.361 0.07 . 374 40 40 VAL CB C 31.282 0.06 . 375 40 40 VAL CG1 C 21.500 0.03 . 376 40 40 VAL CG2 C 18.089 0.06 . 377 40 40 VAL N N 107.864 0.02 . 378 41 41 GLY H H 7.871 0.00 . 379 41 41 GLY HA2 H 4.006 0.01 . 380 41 41 GLY HA3 H 3.648 0.01 . 381 41 41 GLY C C 171.981 0.00 . 382 41 41 GLY CA C 44.969 0.05 . 383 41 41 GLY N N 111.025 0.02 . 384 42 42 SER H H 7.828 0.00 . 385 42 42 SER HA H 4.841 0.01 . 386 42 42 SER HB2 H 3.619 0.01 . 387 42 42 SER HB3 H 3.582 0.01 . 388 42 42 SER C C 173.245 0.02 . 389 42 42 SER CA C 57.061 0.07 . 390 42 42 SER CB C 64.732 0.11 . 391 42 42 SER N N 113.625 0.02 . 392 43 43 TYR H H 9.340 0.01 . 393 43 43 TYR HA H 4.618 0.01 . 394 43 43 TYR HB2 H 2.906 0.01 . 395 43 43 TYR HB3 H 2.637 0.01 . 396 43 43 TYR HD1 H 7.096 0.00 . 397 43 43 TYR HD2 H 7.096 0.00 . 398 43 43 TYR C C 174.924 0.02 . 399 43 43 TYR CA C 56.582 0.08 . 400 43 43 TYR CB C 41.864 0.09 . 401 43 43 TYR N N 124.763 0.03 . 402 44 44 ASP H H 9.069 0.00 . 403 44 44 ASP HA H 4.716 0.01 . 404 44 44 ASP HB2 H 2.656 0.01 . 405 44 44 ASP HB3 H 2.596 0.00 . 406 44 44 ASP C C 179.302 0.00 . 407 44 44 ASP CA C 54.795 0.12 . 408 44 44 ASP CB C 41.654 0.11 . 409 44 44 ASP N N 123.139 0.03 . 410 45 45 HIS H H 9.913 0.01 . 411 45 45 HIS HA H 4.594 0.01 . 412 45 45 HIS C C 177.251 0.00 . 413 45 45 HIS CA C 60.377 0.03 . 414 45 45 HIS N N 127.215 0.02 . 415 46 46 GLN H H 8.705 0.01 . 416 46 46 GLN HA H 3.681 0.01 . 417 46 46 GLN HB2 H 2.125 0.01 . 418 46 46 GLN HG2 H 1.867 0.00 . 419 46 46 GLN HG3 H 2.011 0.00 . 420 46 46 GLN C C 179.005 0.03 . 421 46 46 GLN CA C 58.778 0.09 . 422 46 46 GLN CB C 28.142 0.02 . 423 46 46 GLN N N 119.999 0.02 . 424 47 47 GLU H H 8.219 0.00 . 425 47 47 GLU HA H 4.113 0.01 . 426 47 47 GLU HB3 H 2.431 0.01 . 427 47 47 GLU HG2 H 2.640 0.00 . 428 47 47 GLU HG3 H 2.416 0.00 . 429 47 47 GLU C C 178.018 0.00 . 430 47 47 GLU CA C 60.272 0.09 . 431 47 47 GLU CB C 29.737 0.08 . 432 47 47 GLU N N 119.691 0.03 . 433 48 48 LEU H H 7.096 0.01 . 434 48 48 LEU HA H 3.689 0.01 . 435 48 48 LEU HB2 H 1.817 0.01 . 436 48 48 LEU HB3 H 1.091 0.01 . 437 48 48 LEU HD1 H 0.393 0.01 . 438 48 48 LEU HD2 H 0.011 0.01 . 439 48 48 LEU C C 178.873 0.01 . 440 48 48 LEU CA C 58.649 0.06 . 441 48 48 LEU CB C 41.232 0.06 . 442 48 48 LEU CD1 C 25.065 0.07 . 443 48 48 LEU CD2 C 25.212 0.08 . 444 48 48 LEU N N 120.238 0.02 . 445 49 49 LEU H H 7.319 0.01 . 446 49 49 LEU HA H 3.949 0.01 . 447 49 49 LEU HB2 H 1.854 0.02 . 448 49 49 LEU HB3 H 1.528 0.01 . 449 49 49 LEU HG H 0.846 0.00 . 450 49 49 LEU HD1 H 0.729 0.00 . 451 49 49 LEU C C 178.187 0.00 . 452 49 49 LEU CA C 57.561 0.07 . 453 49 49 LEU CB C 40.716 0.14 . 454 49 49 LEU N N 115.750 0.02 . 455 50 50 GLN H H 8.159 0.01 . 456 50 50 GLN HA H 3.925 0.01 . 457 50 50 GLN HB2 H 2.245 0.01 . 458 50 50 GLN HB3 H 2.130 0.01 . 459 50 50 GLN HG2 H 2.528 0.01 . 460 50 50 GLN HG3 H 2.316 0.01 . 461 50 50 GLN C C 178.817 0.00 . 462 50 50 GLN CA C 59.298 0.11 . 463 50 50 GLN CB C 28.724 0.03 . 464 50 50 GLN CG C 34.461 0.08 . 465 50 50 GLN N N 118.406 0.03 . 466 51 51 LEU H H 7.656 0.01 . 467 51 51 LEU HA H 3.965 0.01 . 468 51 51 LEU HB2 H 2.044 0.01 . 469 51 51 LEU HB3 H 1.036 0.01 . 470 51 51 LEU HG H 1.205 0.01 . 471 51 51 LEU HD1 H 0.395 0.01 . 472 51 51 LEU HD2 H 0.015 0.01 . 473 51 51 LEU C C 178.624 0.01 . 474 51 51 LEU CA C 58.357 0.13 . 475 51 51 LEU CB C 42.856 0.05 . 476 51 51 LEU CG C 27.075 0.09 . 477 51 51 LEU N N 119.277 0.02 . 478 52 52 VAL H H 7.878 0.00 . 479 52 52 VAL HA H 3.485 0.01 . 480 52 52 VAL HB H 2.017 0.01 . 481 52 52 VAL HG1 H 0.878 0.01 . 482 52 52 VAL HG2 H 0.859 0.01 . 483 52 52 VAL C C 177.685 0.02 . 484 52 52 VAL CA C 66.607 0.07 . 485 52 52 VAL CB C 31.314 0.02 . 486 52 52 VAL N N 115.569 0.03 . 487 53 53 VAL H H 8.728 0.00 . 488 53 53 VAL HA H 3.495 0.01 . 489 53 53 VAL HB H 2.080 0.01 . 490 53 53 VAL HG1 H 1.046 0.01 . 491 53 53 VAL C C 179.298 0.01 . 492 53 53 VAL CA C 67.107 0.11 . 493 53 53 VAL CB C 31.436 0.05 . 494 53 53 VAL N N 122.598 0.02 . 495 54 54 LYS H H 7.898 0.01 . 496 54 54 LYS HA H 4.114 0.01 . 497 54 54 LYS HB2 H 1.662 0.02 . 498 54 54 LYS HB3 H 1.753 0.01 . 499 54 54 LYS HG2 H 0.728 0.01 . 500 54 54 LYS C C 178.607 0.00 . 501 54 54 LYS CA C 57.599 0.06 . 502 54 54 LYS CB C 30.414 0.05 . 503 54 54 LYS CG C 24.770 0.00 . 504 54 54 LYS N N 120.663 0.03 . 505 55 55 LEU H H 8.430 0.01 . 506 55 55 LEU HA H 3.834 0.01 . 507 55 55 LEU HB2 H 1.937 0.01 . 508 55 55 LEU HB3 H 1.291 0.03 . 509 55 55 LEU HG H 1.143 0.01 . 510 55 55 LEU HD1 H 0.532 0.00 . 511 55 55 LEU HD2 H 0.218 0.00 . 512 55 55 LEU C C 179.958 0.02 . 513 55 55 LEU CA C 56.993 0.07 . 514 55 55 LEU CB C 40.748 0.05 . 515 55 55 LEU N N 120.687 0.04 . 516 56 56 SER H H 8.652 0.00 . 517 56 56 SER HA H 4.244 0.00 . 518 56 56 SER HB2 H 4.047 0.01 . 519 56 56 SER HB3 H 3.879 0.01 . 520 56 56 SER C C 177.235 0.02 . 521 56 56 SER CA C 60.662 0.03 . 522 56 56 SER CB C 63.922 0.00 . 523 56 56 SER N N 118.996 0.03 . 524 57 57 GLU H H 7.701 0.01 . 525 57 57 GLU HA H 3.943 0.02 . 526 57 57 GLU HB2 H 2.227 0.01 . 527 57 57 GLU HB3 H 2.132 0.01 . 528 57 57 GLU HG2 H 2.205 0.01 . 529 57 57 GLU HG3 H 2.435 0.01 . 530 57 57 GLU C C 179.299 0.01 . 531 57 57 GLU CA C 59.308 0.07 . 532 57 57 GLU CB C 29.601 0.09 . 533 57 57 GLU CG C 36.028 0.08 . 534 57 57 GLU N N 120.491 0.03 . 535 58 58 VAL H H 7.863 0.00 . 536 58 58 VAL HA H 3.924 0.01 . 537 58 58 VAL HB H 2.033 0.02 . 538 58 58 VAL HG1 H 0.609 0.01 . 539 58 58 VAL HG2 H 0.895 0.02 . 540 58 58 VAL C C 177.486 0.03 . 541 58 58 VAL CA C 64.436 0.06 . 542 58 58 VAL CB C 32.451 0.08 . 543 58 58 VAL CG1 C 21.047 0.09 . 544 58 58 VAL CG2 C 21.047 0.09 . 545 58 58 VAL N N 114.672 0.02 . 546 59 59 SER H H 8.303 0.01 . 547 59 59 SER HA H 4.393 0.02 . 548 59 59 SER HB2 H 3.920 0.01 . 549 59 59 SER HB3 H 3.322 0.00 . 550 59 59 SER C C 175.477 0.01 . 551 59 59 SER CA C 59.878 0.08 . 552 59 59 SER CB C 66.567 0.05 . 553 59 59 SER N N 114.232 0.03 . 554 60 60 SER H H 8.002 0.01 . 555 60 60 SER HA H 4.113 0.01 . 556 60 60 SER HB2 H 1.695 0.00 . 557 60 60 SER HB3 H 1.695 0.00 . 558 60 60 SER C C 173.142 0.04 . 559 60 60 SER CA C 60.708 0.04 . 560 60 60 SER CB C 62.015 0.00 . 561 60 60 SER N N 115.883 0.02 . 562 61 61 VAL H H 7.820 0.00 . 563 61 61 VAL HB H 1.832 0.00 . 564 61 61 VAL HG1 H 0.621 0.00 . 565 61 61 VAL HG2 H 0.950 0.00 . 566 61 61 VAL C C 174.498 0.00 . 567 61 61 VAL CA C 60.135 0.00 . 568 61 61 VAL CB C 33.571 0.00 . 569 61 61 VAL N N 125.344 0.02 . 570 62 62 PRO HA H 4.294 0.01 . 571 62 62 PRO HB2 H 2.489 0.01 . 572 62 62 PRO HB3 H 1.746 0.01 . 573 62 62 PRO HG2 H 1.961 0.00 . 574 62 62 PRO HG3 H 1.961 0.00 . 575 62 62 PRO HD2 H 3.806 0.01 . 576 62 62 PRO C C 176.902 0.00 . 577 62 62 PRO CA C 63.319 0.10 . 578 62 62 PRO CB C 33.195 0.12 . 579 63 63 VAL H H 8.629 0.00 . 580 63 63 VAL HA H 3.386 0.01 . 581 63 63 VAL HB H 2.077 0.02 . 582 63 63 VAL HG1 H 1.133 0.00 . 583 63 63 VAL HG2 H 0.893 0.00 . 584 63 63 VAL C C 177.368 0.01 . 585 63 63 VAL CA C 67.516 0.06 . 586 63 63 VAL CB C 32.266 0.03 . 587 63 63 VAL N N 123.761 0.02 . 588 64 64 THR H H 8.119 0.00 . 589 64 64 THR HA H 3.847 0.01 . 590 64 64 THR HB H 4.215 0.01 . 591 64 64 THR HG2 H 1.261 0.00 . 592 64 64 THR C C 176.334 0.02 . 593 64 64 THR CA C 65.250 0.05 . 594 64 64 THR CB C 67.948 0.04 . 595 64 64 THR N N 108.292 0.01 . 596 65 65 GLU H H 6.694 0.01 . 597 65 65 GLU HA H 4.077 0.01 . 598 65 65 GLU HB2 H 2.012 0.01 . 599 65 65 GLU HB3 H 2.012 0.01 . 600 65 65 GLU HG2 H 2.232 0.01 . 601 65 65 GLU C C 179.338 0.02 . 602 65 65 GLU CA C 58.647 0.03 . 603 65 65 GLU CB C 29.461 0.05 . 604 65 65 GLU CG C 36.077 0.00 . 605 65 65 GLU N N 119.639 0.02 . 606 66 66 LEU H H 7.886 0.01 . 607 66 66 LEU HA H 3.970 0.01 . 608 66 66 LEU HB2 H 2.051 0.00 . 609 66 66 LEU HB3 H 1.606 0.00 . 610 66 66 LEU HD1 H 1.028 0.02 . 611 66 66 LEU HD2 H 0.738 0.01 . 612 66 66 LEU C C 178.572 0.02 . 613 66 66 LEU CA C 57.841 0.06 . 614 66 66 LEU CB C 42.928 0.07 . 615 66 66 LEU N N 121.215 0.03 . 616 67 67 VAL H H 8.355 0.01 . 617 67 67 VAL HA H 3.620 0.01 . 618 67 67 VAL HB H 2.050 0.00 . 619 67 67 VAL HG1 H 1.033 0.00 . 620 67 67 VAL C C 176.127 0.00 . 621 67 67 VAL CA C 66.951 0.04 . 622 67 67 VAL CB C 31.312 0.00 . 623 67 67 VAL N N 116.574 0.02 . 624 68 68 ARG H H 7.378 0.00 . 625 68 68 ARG HA H 4.070 0.01 . 626 68 68 ARG HB2 H 1.849 0.01 . 627 68 68 ARG HB3 H 2.007 0.00 . 628 68 68 ARG CA C 59.943 0.01 . 629 68 68 ARG CB C 30.634 0.18 . 630 68 68 ARG N N 120.649 0.05 . 631 69 69 LEU H H 8.036 0.01 . 632 69 69 LEU HA H 3.936 0.01 . 633 69 69 LEU HB2 H 1.736 0.01 . 634 69 69 LEU HB3 H 1.859 0.02 . 635 69 69 LEU HG H 0.804 0.00 . 636 69 69 LEU HD1 H 1.586 0.01 . 637 69 69 LEU HD2 H 0.852 0.02 . 638 69 69 LEU C C 178.900 0.00 . 639 69 69 LEU CA C 57.987 0.11 . 640 69 69 LEU CB C 41.951 0.08 . 641 69 69 LEU N N 121.314 0.03 . 642 70 70 PHE H H 8.077 0.01 . 643 70 70 PHE HA H 4.358 0.02 . 644 70 70 PHE HB2 H 3.185 0.01 . 645 70 70 PHE HB3 H 3.005 0.01 . 646 70 70 PHE HD1 H 6.810 0.02 . 647 70 70 PHE HD2 H 6.810 0.02 . 648 70 70 PHE HE1 H 6.924 0.00 . 649 70 70 PHE HE2 H 6.924 0.00 . 650 70 70 PHE C C 176.436 0.02 . 651 70 70 PHE CA C 58.223 0.15 . 652 70 70 PHE CB C 38.030 0.07 . 653 70 70 PHE N N 117.738 0.03 . 654 71 71 GLY H H 8.327 0.00 . 655 71 71 GLY HA2 H 2.859 0.01 . 656 71 71 GLY HA3 H 2.290 0.02 . 657 71 71 GLY C C 172.723 0.00 . 658 71 71 GLY CA C 47.487 0.07 . 659 71 71 GLY N N 106.143 0.02 . 660 72 72 LYS H H 7.381 0.00 . 661 72 72 LYS HA H 3.379 0.01 . 662 72 72 LYS HB2 H 1.730 0.02 . 663 72 72 LYS HB3 H 1.846 0.00 . 664 72 72 LYS C C 178.444 0.01 . 665 72 72 LYS CA C 59.883 0.10 . 666 72 72 LYS CB C 32.260 0.23 . 667 72 72 LYS N N 120.286 0.02 . 668 73 73 LYS H H 7.194 0.01 . 669 73 73 LYS HA H 3.863 0.02 . 670 73 73 LYS HB2 H 1.824 0.03 . 671 73 73 LYS HB3 H 1.859 0.01 . 672 73 73 LYS HG2 H 1.433 0.00 . 673 73 73 LYS HG3 H 1.240 0.00 . 674 73 73 LYS HD2 H 1.578 0.00 . 675 73 73 LYS HD3 H 1.578 0.00 . 676 73 73 LYS C C 178.320 0.01 . 677 73 73 LYS CA C 57.877 0.01 . 678 73 73 LYS CB C 32.618 0.05 . 679 73 73 LYS CG C 24.762 0.00 . 680 73 73 LYS N N 118.168 0.02 . 681 74 74 LEU H H 7.867 0.01 . 682 74 74 LEU HA H 3.382 0.01 . 683 74 74 LEU HB2 H 0.294 0.01 . 684 74 74 LEU HB3 H 0.206 0.01 . 685 74 74 LEU HG H -0.419 0.00 . 686 74 74 LEU HD1 H -1.624 0.00 . 687 74 74 LEU HD2 H -3.093 0.00 . 688 74 74 LEU C C 177.212 0.02 . 689 74 74 LEU CA C 55.828 0.06 . 690 74 74 LEU CB C 40.777 0.06 . 691 74 74 LEU CG C 25.439 0.12 . 692 74 74 LEU CD1 C 22.182 0.08 . 693 74 74 LEU N N 118.681 0.02 . 694 75 75 PHE H H 6.993 0.02 . 695 75 75 PHE HB2 H 2.630 0.00 . 696 75 75 PHE HB3 H 2.500 0.00 . 697 75 75 PHE HE1 H 6.482 0.02 . 698 75 75 PHE HE2 H 6.482 0.02 . 699 75 75 PHE C C 175.308 0.00 . 700 75 75 PHE CA C 63.189 0.02 . 701 75 75 PHE CB C 39.113 0.05 . 702 75 75 PHE N N 115.651 0.03 . 703 76 76 VAL H H 7.301 0.01 . 704 76 76 VAL HA H 3.143 0.01 . 705 76 76 VAL HB H 2.005 0.01 . 706 76 76 VAL HG1 H 1.050 0.01 . 707 76 76 VAL HG2 H 0.868 0.01 . 708 76 76 VAL C C 176.326 0.02 . 709 76 76 VAL CA C 65.241 0.06 . 710 76 76 VAL CB C 31.392 0.06 . 711 76 76 VAL N N 114.518 0.02 . 712 77 77 GLU H H 6.615 0.01 . 713 77 77 GLU HA H 3.854 0.01 . 714 77 77 GLU HB2 H 1.638 0.00 . 715 77 77 GLU HB3 H 1.765 0.01 . 716 77 77 GLU C C 180.863 0.02 . 717 77 77 GLU CA C 58.265 0.11 . 718 77 77 GLU CB C 28.755 0.04 . 719 77 77 GLU N N 118.720 0.02 . 720 78 78 LEU H H 7.688 0.01 . 721 78 78 LEU HA H 3.970 0.02 . 722 78 78 LEU HB2 H 2.690 0.00 . 723 78 78 LEU HB3 H 0.826 0.01 . 724 78 78 LEU HG H 0.573 0.02 . 725 78 78 LEU HD1 H -2.380 0.00 . 726 78 78 LEU HD2 H 0.234 0.01 . 727 78 78 LEU C C 179.806 0.03 . 728 78 78 LEU CA C 57.639 0.07 . 729 78 78 LEU CB C 40.428 0.07 . 730 78 78 LEU CG C 25.805 0.05 . 731 78 78 LEU CD1 C 23.914 0.07 . 732 78 78 LEU CD2 C 21.267 0.10 . 733 78 78 LEU N N 120.362 0.04 . 734 79 79 ILE H H 7.587 0.02 . 735 79 79 ILE HA H 3.833 0.01 . 736 79 79 ILE HB H 1.207 0.01 . 737 79 79 ILE HG12 H 0.753 0.01 . 738 79 79 ILE HG13 H 0.721 0.01 . 739 79 79 ILE HG2 H 0.373 0.01 . 740 79 79 ILE HD1 H 0.617 0.01 . 741 79 79 ILE C C 178.627 0.01 . 742 79 79 ILE CA C 62.206 0.07 . 743 79 79 ILE CB C 36.541 0.08 . 744 79 79 ILE CG1 C 27.916 0.09 . 745 79 79 ILE CG2 C 17.828 0.04 . 746 79 79 ILE CD1 C 11.142 0.09 . 747 79 79 ILE N N 120.163 0.08 . 748 80 80 GLU H H 8.246 0.01 . 749 80 80 GLU HA H 3.942 0.02 . 750 80 80 GLU HB2 H 1.949 0.00 . 751 80 80 GLU HB3 H 1.904 0.02 . 752 80 80 GLU HG2 H 2.477 0.01 . 753 80 80 GLU HG3 H 2.156 0.01 . 754 80 80 GLU C C 178.815 0.02 . 755 80 80 GLU CA C 58.773 0.02 . 756 80 80 GLU CB C 28.846 0.20 . 757 80 80 GLU CG C 37.307 0.07 . 758 80 80 GLU N N 119.583 0.02 . 759 81 81 GLY H H 7.562 0.01 . 760 81 81 GLY HA2 H 4.031 0.03 . 761 81 81 GLY HA3 H 3.649 0.01 . 762 81 81 GLY C C 173.236 0.00 . 763 81 81 GLY CA C 44.911 0.04 . 764 81 81 GLY N N 103.555 0.03 . 765 82 82 HIS H H 7.231 0.01 . 766 82 82 HIS HA H 5.175 0.01 . 767 82 82 HIS HB2 H 3.502 0.01 . 768 82 82 HIS HB3 H 3.224 0.01 . 769 82 82 HIS HD2 H 7.423 0.00 . 770 82 82 HIS HE1 H 5.063 0.00 . 771 82 82 HIS C C 172.699 0.00 . 772 82 82 HIS CA C 55.085 0.08 . 773 82 82 HIS CB C 29.479 0.08 . 774 82 82 HIS CE1 C 130.072 0.03 . 775 82 82 HIS N N 116.408 0.03 . 776 83 83 PRO HA H 4.462 0.01 . 777 83 83 PRO HB2 H 2.039 0.01 . 778 83 83 PRO HB3 H 2.387 0.01 . 779 83 83 PRO HD2 H 3.402 0.00 . 780 83 83 PRO C C 177.891 0.00 . 781 83 83 PRO CA C 65.354 0.06 . 782 83 83 PRO CB C 31.503 0.05 . 783 83 83 PRO CD C 43.184 0.00 . 784 84 84 GLU H H 9.306 0.01 . 785 84 84 GLU HA H 4.146 0.01 . 786 84 84 GLU HB2 H 2.099 0.01 . 787 84 84 GLU HB3 H 2.230 0.00 . 788 84 84 GLU HG2 H 2.419 0.01 . 789 84 84 GLU HG3 H 3.391 0.00 . 790 84 84 GLU C C 179.357 0.01 . 791 84 84 GLU CA C 59.687 0.08 . 792 84 84 GLU CB C 28.572 0.09 . 793 84 84 GLU CG C 36.885 0.12 . 794 84 84 GLU N N 116.823 0.02 . 795 85 85 ILE H H 7.570 0.01 . 796 85 85 ILE HA H 4.213 0.00 . 797 85 85 ILE HB H 0.958 0.00 . 798 85 85 ILE HG12 H 1.337 0.00 . 799 85 85 ILE HG13 H 1.337 0.00 . 800 85 85 ILE HG2 H 2.162 0.01 . 801 85 85 ILE HD1 H 0.778 0.00 . 802 85 85 ILE C C 177.061 0.03 . 803 85 85 ILE CA C 64.237 0.03 . 804 85 85 ILE CB C 39.366 0.05 . 805 85 85 ILE CD1 C 12.513 0.00 . 806 85 85 ILE N N 118.634 0.04 . 807 86 86 ALA H H 8.185 0.01 . 808 86 86 ALA HA H 4.025 0.01 . 809 86 86 ALA HB H 1.597 0.01 . 810 86 86 ALA C C 180.227 0.02 . 811 86 86 ALA CA C 55.377 0.08 . 812 86 86 ALA CB C 20.230 0.07 . 813 86 86 ALA N N 120.131 0.07 . 814 87 87 ASN H H 8.578 0.00 . 815 87 87 ASN HA H 4.543 0.01 . 816 87 87 ASN HB2 H 2.958 0.01 . 817 87 87 ASN HB3 H 2.867 0.01 . 818 87 87 ASN C C 176.144 0.02 . 819 87 87 ASN CA C 55.395 0.08 . 820 87 87 ASN CB C 38.477 0.10 . 821 87 87 ASN N N 113.595 0.02 . 822 88 88 GLU H H 7.559 0.00 . 823 88 88 GLU HA H 4.259 0.02 . 824 88 88 GLU HB2 H 2.091 0.03 . 825 88 88 GLU HB3 H 1.854 0.01 . 826 88 88 GLU HG2 H 2.301 0.01 . 827 88 88 GLU HG3 H 2.301 0.01 . 828 88 88 GLU C C 176.161 0.02 . 829 88 88 GLU CA C 55.923 0.05 . 830 88 88 GLU CB C 30.016 0.08 . 831 88 88 GLU CG C 35.635 0.00 . 832 88 88 GLU N N 115.440 0.02 . 833 89 89 MET H H 7.625 0.01 . 834 89 89 MET HA H 4.872 0.01 . 835 89 89 MET HB2 H 2.690 0.01 . 836 89 89 MET HB3 H 2.690 0.01 . 837 89 89 MET HG2 H 2.832 0.01 . 838 89 89 MET HG3 H 2.787 0.01 . 839 89 89 MET C C 176.241 0.03 . 840 89 89 MET CA C 53.682 0.14 . 841 89 89 MET CB C 33.839 0.03 . 842 89 89 MET CG C 32.446 0.07 . 843 89 89 MET N N 117.191 0.01 . 844 90 90 LYS H H 9.562 0.00 . 845 90 90 LYS HA H 4.435 0.01 . 846 90 90 LYS HB2 H 1.928 0.01 . 847 90 90 LYS HB3 H 1.646 0.01 . 848 90 90 LYS HG2 H 1.462 0.01 . 849 90 90 LYS HG3 H 1.372 0.01 . 850 90 90 LYS HD2 H 1.595 0.00 . 851 90 90 LYS HD3 H 1.610 0.01 . 852 90 90 LYS HE2 H 2.954 0.01 . 853 90 90 LYS HE3 H 2.954 0.01 . 854 90 90 LYS C C 175.808 0.01 . 855 90 90 LYS CA C 56.929 0.06 . 856 90 90 LYS CB C 33.471 0.08 . 857 90 90 LYS CG C 24.765 0.08 . 858 90 90 LYS CD C 28.535 0.05 . 859 90 90 LYS N N 123.073 0.03 . 860 91 91 ASP H H 7.508 0.00 . 861 91 91 ASP HA H 4.288 0.01 . 862 91 91 ASP HB2 H 2.945 0.01 . 863 91 91 ASP HB3 H 2.801 0.01 . 864 91 91 ASP C C 175.092 0.01 . 865 91 91 ASP CA C 52.582 0.04 . 866 91 91 ASP CB C 42.597 0.06 . 867 91 91 ASP N N 115.736 0.02 . 868 92 92 SER H H 9.140 0.00 . 869 92 92 SER HA H 3.118 0.01 . 870 92 92 SER HB2 H 3.745 0.00 . 871 92 92 SER HB3 H 3.474 0.01 . 872 92 92 SER C C 175.718 0.00 . 873 92 92 SER CA C 61.333 0.07 . 874 92 92 SER CB C 62.276 0.05 . 875 92 92 SER N N 120.090 0.02 . 876 93 93 PHE H H 7.545 0.01 . 877 93 93 PHE HA H 4.379 0.01 . 878 93 93 PHE HB2 H 3.172 0.01 . 879 93 93 PHE HB3 H 2.776 0.01 . 880 93 93 PHE HD1 H 6.946 0.01 . 881 93 93 PHE HE1 H 6.551 0.00 . 882 93 93 PHE HE2 H 6.551 0.00 . 883 93 93 PHE C C 178.755 0.00 . 884 93 93 PHE CA C 58.865 0.04 . 885 93 93 PHE CB C 36.610 0.11 . 886 93 93 PHE N N 124.347 0.03 . 887 94 94 ASP H H 8.414 0.01 . 888 94 94 ASP HA H 4.354 0.01 . 889 94 94 ASP HB2 H 2.815 0.01 . 890 94 94 ASP HB3 H 2.738 0.02 . 891 94 94 ASP C C 178.430 0.00 . 892 94 94 ASP CA C 57.619 0.05 . 893 94 94 ASP CB C 42.582 0.06 . 894 94 94 ASP N N 124.519 0.03 . 895 95 95 LEU H H 7.775 0.01 . 896 95 95 LEU HA H 4.362 0.02 . 897 95 95 LEU C C 180.095 0.01 . 898 95 95 LEU CA C 60.687 0.06 . 899 95 95 LEU CB C 41.340 0.01 . 900 95 95 LEU N N 119.315 0.02 . 901 96 96 LEU H H 8.452 0.01 . 902 96 96 LEU HA H 3.864 0.01 . 903 96 96 LEU HG H 2.278 0.01 . 904 96 96 LEU HD1 H 0.895 0.00 . 905 96 96 LEU HD2 H 0.689 0.00 . 906 96 96 LEU C C 178.689 0.01 . 907 96 96 LEU CA C 57.854 0.06 . 908 96 96 LEU CB C 41.287 0.06 . 909 96 96 LEU CD1 C 24.606 0.00 . 910 96 96 LEU N N 117.851 0.02 . 911 97 97 SER H H 7.972 0.00 . 912 97 97 SER HA H 4.398 0.01 . 913 97 97 SER HB2 H 4.065 0.01 . 914 97 97 SER HB3 H 3.908 0.01 . 915 97 97 SER C C 175.120 0.01 . 916 97 97 SER CA C 60.495 0.09 . 917 97 97 SER CB C 63.383 0.03 . 918 97 97 SER N N 111.634 0.04 . 919 98 98 LYS H H 7.794 0.01 . 920 98 98 LYS HA H 4.555 0.01 . 921 98 98 LYS HB2 H 1.878 0.02 . 922 98 98 LYS HD2 H 1.325 0.01 . 923 98 98 LYS HD3 H 1.557 0.00 . 924 98 98 LYS HE2 H 2.678 0.00 . 925 98 98 LYS HE3 H 2.601 0.00 . 926 98 98 LYS C C 177.699 0.01 . 927 98 98 LYS CA C 56.142 0.06 . 928 98 98 LYS CB C 35.194 0.09 . 929 98 98 LYS CD C 28.555 0.12 . 930 98 98 LYS N N 121.868 0.03 . 931 99 99 ILE H H 7.326 0.00 . 932 99 99 ILE HA H 2.693 0.01 . 933 99 99 ILE HB H 1.081 0.01 . 934 99 99 ILE HG12 H 0.959 0.00 . 935 99 99 ILE HG13 H 0.215 0.00 . 936 99 99 ILE HG2 H 0.410 0.01 . 937 99 99 ILE HD1 H -1.324 0.01 . 938 99 99 ILE C C 175.168 0.02 . 939 99 99 ILE CA C 65.745 0.02 . 940 99 99 ILE CB C 37.996 0.03 . 941 99 99 ILE CG2 C 14.289 0.07 . 942 99 99 ILE CD1 C 16.907 0.07 . 943 99 99 ILE N N 124.722 0.03 . 944 100 100 ASP H H 7.776 0.00 . 945 100 100 ASP HA H 3.954 0.01 . 946 100 100 ASP HB2 H 2.884 0.01 . 947 100 100 ASP HB3 H 2.468 0.00 . 948 100 100 ASP C C 177.235 0.01 . 949 100 100 ASP CA C 56.833 0.05 . 950 100 100 ASP CB C 45.849 0.12 . 951 100 100 ASP N N 116.018 0.02 . 952 101 101 SER H H 7.906 0.00 . 953 101 101 SER HA H 4.105 0.01 . 954 101 101 SER HB2 H 3.849 0.01 . 955 101 101 SER HB3 H 3.849 0.01 . 956 101 101 SER C C 174.967 0.02 . 957 101 101 SER CA C 58.972 0.03 . 958 101 101 SER CB C 63.609 0.04 . 959 101 101 SER N N 107.647 0.02 . 960 102 102 PHE H H 7.567 0.01 . 961 102 102 PHE HA H 4.713 0.01 . 962 102 102 PHE HB2 H 2.989 0.02 . 963 102 102 PHE HB3 H 3.131 0.01 . 964 102 102 PHE HD1 H 7.132 0.01 . 965 102 102 PHE HD2 H 7.132 0.01 . 966 102 102 PHE C C 174.082 0.01 . 967 102 102 PHE CA C 60.221 0.07 . 968 102 102 PHE CB C 42.078 0.16 . 969 102 102 PHE N N 120.363 0.03 . 970 103 103 ILE H H 8.431 0.01 . 971 103 103 ILE HA H 2.727 0.01 . 972 103 103 ILE HB H 1.599 0.01 . 973 103 103 ILE HG12 H 1.103 0.01 . 974 103 103 ILE HG13 H 1.068 0.01 . 975 103 103 ILE HG2 H 0.878 0.01 . 976 103 103 ILE HD1 H -0.136 0.00 . 977 103 103 ILE C C 176.811 0.00 . 978 103 103 ILE CA C 66.120 0.06 . 979 103 103 ILE CB C 36.882 0.03 . 980 103 103 ILE CG1 C 13.406 0.05 . 981 103 103 ILE CG2 C 13.847 0.06 . 982 103 103 ILE CD1 C 15.630 0.07 . 983 103 103 ILE N N 120.210 0.02 . 984 104 104 HIS H H 8.050 0.00 . 985 104 104 HIS HA H 3.061 0.01 . 986 104 104 HIS HB2 H 2.205 0.01 . 987 104 104 HIS HB3 H 1.789 0.02 . 988 104 104 HIS HE1 H 7.761 0.01 . 989 104 104 HIS C C 176.889 0.03 . 990 104 104 HIS CA C 55.440 0.07 . 991 104 104 HIS CB C 27.501 0.08 . 992 104 104 HIS N N 112.749 0.02 . 993 105 105 VAL H H 5.711 0.00 . 994 105 105 VAL HA H 3.404 0.02 . 995 105 105 VAL HG1 H 0.762 0.00 . 996 105 105 VAL C C 177.763 0.03 . 997 105 105 VAL CA C 66.117 0.07 . 998 105 105 VAL CB C 32.373 0.02 . 999 105 105 VAL N N 120.140 0.03 . 1000 106 106 GLU H H 7.948 0.01 . 1001 106 106 GLU HA H 3.645 0.01 . 1002 106 106 GLU HB2 H 1.524 0.00 . 1003 106 106 GLU HB3 H 2.644 0.01 . 1004 106 106 GLU HG2 H 1.746 0.00 . 1005 106 106 GLU HG3 H 1.431 0.00 . 1006 106 106 GLU C C 177.782 0.00 . 1007 106 106 GLU CA C 58.656 0.03 . 1008 106 106 GLU CB C 28.940 0.11 . 1009 106 106 GLU N N 120.349 0.03 . 1010 107 107 VAL H H 7.837 0.01 . 1011 107 107 VAL HA H 3.621 0.02 . 1012 107 107 VAL HB H 1.829 0.01 . 1013 107 107 VAL C C 176.175 0.01 . 1014 107 107 VAL CA C 66.582 0.17 . 1015 107 107 VAL CB C 31.691 0.15 . 1016 107 107 VAL N N 119.229 0.03 . 1017 108 108 TYR H H 7.327 0.02 . 1018 108 108 TYR HA H 4.231 0.01 . 1019 108 108 TYR HB2 H 3.393 0.00 . 1020 108 108 TYR HB3 H 3.499 0.02 . 1021 108 108 TYR HD1 H 6.981 0.00 . 1022 108 108 TYR HD2 H 6.981 0.00 . 1023 108 108 TYR C C 176.940 0.02 . 1024 108 108 TYR CA C 58.858 0.07 . 1025 108 108 TYR CB C 37.821 0.11 . 1026 108 108 TYR N N 120.901 0.02 . 1027 109 109 LYS H H 7.230 0.01 . 1028 109 109 LYS HA H 3.703 0.01 . 1029 109 109 LYS HB2 H 1.730 0.01 . 1030 109 109 LYS HB3 H 1.535 0.01 . 1031 109 109 LYS HG2 H 1.404 0.00 . 1032 109 109 LYS HG3 H 1.262 0.01 . 1033 109 109 LYS HD2 H 1.562 0.01 . 1034 109 109 LYS HD3 H 1.429 0.01 . 1035 109 109 LYS HE2 H 2.796 0.01 . 1036 109 109 LYS HE3 H 2.655 0.01 . 1037 109 109 LYS C C 178.793 0.02 . 1038 109 109 LYS CA C 58.890 0.06 . 1039 109 109 LYS CB C 32.629 0.10 . 1040 109 109 LYS CD C 29.603 0.10 . 1041 109 109 LYS N N 115.333 0.02 . 1042 110 110 LEU H H 7.063 0.02 . 1043 110 110 LEU HA H 3.829 0.01 . 1044 110 110 LEU HB2 H 1.373 0.02 . 1045 110 110 LEU HB3 H 0.531 0.01 . 1046 110 110 LEU HG H 0.971 0.01 . 1047 110 110 LEU HD1 H 0.961 0.01 . 1048 110 110 LEU HD2 H 0.777 0.01 . 1049 110 110 LEU C C 177.372 0.00 . 1050 110 110 LEU CA C 56.711 0.12 . 1051 110 110 LEU CB C 42.514 0.05 . 1052 110 110 LEU N N 118.165 0.02 . 1053 111 111 TYR H H 8.329 0.01 . 1054 111 111 TYR HA H 5.190 0.01 . 1055 111 111 TYR HB2 H 3.054 0.01 . 1056 111 111 TYR HB3 H 2.882 0.02 . 1057 111 111 TYR HE1 H 6.708 0.02 . 1058 111 111 TYR C C 172.396 0.00 . 1059 111 111 TYR CA C 52.837 0.01 . 1060 111 111 TYR CB C 38.737 0.08 . 1061 111 111 TYR CE1 C 130.012 0.07 . 1062 111 111 TYR N N 117.867 0.03 . 1063 112 112 PRO HA H 4.081 0.01 . 1064 112 112 PRO HB2 H 1.840 0.00 . 1065 112 112 PRO HB3 H 2.140 0.01 . 1066 112 112 PRO HD2 H 3.312 0.00 . 1067 112 112 PRO C C 177.146 0.00 . 1068 112 112 PRO CA C 64.183 0.09 . 1069 112 112 PRO CB C 31.396 0.01 . 1070 112 112 PRO CD C 47.618 0.00 . 1071 113 113 GLN H H 9.741 0.01 . 1072 113 113 GLN HA H 4.497 0.02 . 1073 113 113 GLN HB2 H 2.223 0.01 . 1074 113 113 GLN HB3 H 2.896 0.00 . 1075 113 113 GLN HG2 H 2.257 0.03 . 1076 113 113 GLN HG3 H 2.486 0.01 . 1077 113 113 GLN C C 176.317 0.02 . 1078 113 113 GLN CA C 55.504 0.09 . 1079 113 113 GLN CB C 28.178 0.13 . 1080 113 113 GLN CG C 33.886 0.17 . 1081 113 113 GLN N N 117.268 0.04 . 1082 114 114 ALA H H 8.787 0.00 . 1083 114 114 ALA HA H 4.569 0.01 . 1084 114 114 ALA HB H 1.709 0.02 . 1085 114 114 ALA C C 177.245 0.03 . 1086 114 114 ALA CA C 53.060 0.05 . 1087 114 114 ALA CB C 19.823 0.08 . 1088 114 114 ALA N N 127.911 0.03 . 1089 115 115 GLU H H 10.895 0.01 . 1090 115 115 GLU HA H 4.409 0.02 . 1091 115 115 GLU HB2 H 2.299 0.02 . 1092 115 115 GLU HB3 H 2.178 0.00 . 1093 115 115 GLU C C 174.177 0.00 . 1094 115 115 GLU CA C 55.997 0.10 . 1095 115 115 GLU CB C 29.992 0.08 . 1096 115 115 GLU N N 127.264 0.04 . 1097 116 116 LEU H H 7.770 0.00 . 1098 116 116 LEU HA H 4.227 0.01 . 1099 116 116 LEU HB2 H 2.914 0.01 . 1100 116 116 LEU HG H -0.044 0.01 . 1101 116 116 LEU HD1 H -1.179 0.00 . 1102 116 116 LEU HD2 H 0.851 0.01 . 1103 116 116 LEU C C 174.586 0.00 . 1104 116 116 LEU CA C 50.876 0.04 . 1105 116 116 LEU CB C 41.824 0.00 . 1106 116 116 LEU CG C 25.697 0.00 . 1107 116 116 LEU CD1 C 21.621 0.12 . 1108 116 116 LEU N N 122.663 0.02 . 1109 117 117 PRO HA H 4.391 0.01 . 1110 117 117 PRO C C 174.205 0.00 . 1111 117 117 PRO CA C 61.815 0.07 . 1112 117 117 PRO CB C 30.338 0.02 . 1113 118 118 LYS H H 8.241 0.00 . 1114 118 118 LYS HA H 4.366 0.01 . 1115 118 118 LYS HB2 H 1.337 0.01 . 1116 118 118 LYS HB3 H 1.533 0.01 . 1117 118 118 LYS HG2 H 1.091 0.00 . 1118 118 118 LYS HG3 H 1.091 0.00 . 1119 118 118 LYS HE2 H 2.687 0.00 . 1120 118 118 LYS HE3 H 2.613 0.01 . 1121 118 118 LYS C C 173.957 0.00 . 1122 118 118 LYS CA C 54.594 0.06 . 1123 118 118 LYS CB C 34.506 0.11 . 1124 118 118 LYS N N 121.475 0.03 . 1125 119 119 PHE H H 7.884 0.01 . 1126 119 119 PHE HA H 5.706 0.01 . 1127 119 119 PHE HB2 H 2.848 0.01 . 1128 119 119 PHE HB3 H 2.416 0.01 . 1129 119 119 PHE C C 176.137 0.03 . 1130 119 119 PHE CA C 56.761 0.06 . 1131 119 119 PHE CB C 44.695 0.08 . 1132 119 119 PHE N N 121.647 0.05 . 1133 120 120 THR H H 8.275 0.01 . 1134 120 120 THR HA H 4.838 0.01 . 1135 120 120 THR HB H 4.646 0.00 . 1136 120 120 THR HG2 H 0.865 0.00 . 1137 120 120 THR C C 180.604 0.00 . 1138 120 120 THR CA C 61.877 0.06 . 1139 120 120 THR CB C 70.717 0.05 . 1140 120 120 THR N N 113.588 0.04 . 1141 121 121 CYS HA H 5.234 0.01 . 1142 121 121 CYS HB2 H 2.909 0.02 . 1143 121 121 CYS HB3 H 2.472 0.01 . 1144 121 121 CYS C C 172.596 0.00 . 1145 121 121 CYS CA C 57.356 0.07 . 1146 121 121 CYS CB C 29.099 0.09 . 1147 122 122 ASP H H 9.152 0.01 . 1148 122 122 ASP HA H 4.968 0.01 . 1149 122 122 ASP HB2 H 2.554 0.02 . 1150 122 122 ASP HB3 H 2.492 0.01 . 1151 122 122 ASP C C 174.080 0.02 . 1152 122 122 ASP CA C 53.183 0.07 . 1153 122 122 ASP CB C 43.709 0.06 . 1154 122 122 ASP N N 128.657 0.03 . 1155 123 123 ARG H H 9.063 0.00 . 1156 123 123 ARG HA H 4.438 0.01 . 1157 123 123 ARG HB2 H 2.103 0.02 . 1158 123 123 ARG HB3 H 1.605 0.00 . 1159 123 123 ARG C C 175.188 0.03 . 1160 123 123 ARG CA C 55.678 0.08 . 1161 123 123 ARG CB C 30.194 0.10 . 1162 123 123 ARG N N 125.905 0.02 . 1163 124 124 LEU H H 8.023 0.02 . 1164 124 124 LEU HA H 4.373 0.01 . 1165 124 124 LEU HB2 H 1.571 0.01 . 1166 124 124 LEU HB3 H 1.353 0.02 . 1167 124 124 LEU HG H 1.500 0.03 . 1168 124 124 LEU HD1 H 0.760 0.01 . 1169 124 124 LEU HD2 H 0.694 0.02 . 1170 124 124 LEU C C 176.855 0.01 . 1171 124 124 LEU CA C 55.346 0.11 . 1172 124 124 LEU CB C 42.158 0.09 . 1173 124 124 LEU CG C 27.378 0.11 . 1174 124 124 LEU CD1 C 22.574 0.12 . 1175 124 124 LEU CD2 C 22.724 0.01 . 1176 124 124 LEU N N 129.501 0.04 . 1177 125 125 GLY H H 8.152 0.00 . 1178 125 125 GLY HA2 H 4.141 0.00 . 1179 125 125 GLY HA3 H 4.244 0.00 . 1180 125 125 GLY C C 173.911 0.00 . 1181 125 125 GLY CA C 44.900 0.14 . 1182 125 125 GLY N N 106.655 0.03 . 1183 126 126 ASP H H 8.293 0.00 . 1184 126 126 ASP HA H 4.348 0.01 . 1185 126 126 ASP HB2 H 2.573 0.01 . 1186 126 126 ASP HB3 H 2.462 0.02 . 1187 126 126 ASP C C 177.496 0.03 . 1188 126 126 ASP CA C 57.627 0.75 . 1189 126 126 ASP CB C 40.922 0.04 . 1190 126 126 ASP N N 121.991 0.01 . 1191 127 127 ASN H H 9.142 0.02 . 1192 127 127 ASN HA H 4.832 0.02 . 1193 127 127 ASN HB2 H 3.524 0.00 . 1194 127 127 ASN HB3 H 2.552 0.02 . 1195 127 127 ASN HD21 H 6.544 0.00 . 1196 127 127 ASN HD22 H 6.544 0.00 . 1197 127 127 ASN C C 173.182 0.02 . 1198 127 127 ASN CA C 52.607 0.07 . 1199 127 127 ASN CB C 40.452 0.12 . 1200 127 127 ASN N N 112.694 0.02 . 1201 128 128 ASP H H 7.002 0.02 . 1202 128 128 ASP HA H 5.926 0.01 . 1203 128 128 ASP HB2 H 2.453 0.01 . 1204 128 128 ASP HB3 H 2.282 0.01 . 1205 128 128 ASP C C 173.582 0.02 . 1206 128 128 ASP CA C 53.768 0.06 . 1207 128 128 ASP CB C 45.724 0.07 . 1208 128 128 ASP N N 117.952 0.02 . 1209 129 129 ILE H H 9.330 0.02 . 1210 129 129 ILE HA H 4.650 0.01 . 1211 129 129 ILE HB H 0.875 0.01 . 1212 129 129 ILE HG12 H 1.168 0.01 . 1213 129 129 ILE HG13 H 0.633 0.01 . 1214 129 129 ILE HG2 H 0.274 0.01 . 1215 129 129 ILE HD1 H -0.057 0.00 . 1216 129 129 ILE C C 172.200 0.02 . 1217 129 129 ILE CA C 60.063 0.03 . 1218 129 129 ILE CB C 43.926 0.06 . 1219 129 129 ILE CG1 C 30.322 0.07 . 1220 129 129 ILE CG2 C 18.168 0.03 . 1221 129 129 ILE CD1 C 14.369 0.05 . 1222 129 129 ILE N N 124.786 0.02 . 1223 130 130 ARG H H 8.775 0.02 . 1224 130 130 ARG HA H 5.418 0.01 . 1225 130 130 ARG HB2 H 1.798 0.01 . 1226 130 130 ARG HB3 H 1.751 0.01 . 1227 130 130 ARG HG2 H 1.395 0.00 . 1228 130 130 ARG HG3 H 1.507 0.01 . 1229 130 130 ARG HD2 H 3.137 0.00 . 1230 130 130 ARG HD3 H 3.137 0.00 . 1231 130 130 ARG C C 174.773 0.01 . 1232 130 130 ARG CA C 54.626 0.05 . 1233 130 130 ARG CB C 33.582 0.04 . 1234 130 130 ARG CD C 43.796 0.10 . 1235 130 130 ARG N N 128.124 0.04 . 1236 131 131 LEU H H 9.534 0.02 . 1237 131 131 LEU HA H 5.419 0.01 . 1238 131 131 LEU HB2 H 2.106 0.01 . 1239 131 131 LEU HB3 H 1.560 0.01 . 1240 131 131 LEU HG H 1.726 0.02 . 1241 131 131 LEU HD1 H 1.161 0.00 . 1242 131 131 LEU HD2 H 0.838 0.01 . 1243 131 131 LEU C C 174.082 0.03 . 1244 131 131 LEU CA C 53.055 0.08 . 1245 131 131 LEU CB C 47.053 0.07 . 1246 131 131 LEU CG C 17.966 0.01 . 1247 131 131 LEU N N 128.531 0.02 . 1248 132 132 HIS H H 9.500 0.01 . 1249 132 132 HIS HA H 5.534 0.01 . 1250 132 132 HIS HB2 H 2.828 0.01 . 1251 132 132 HIS HB3 H 3.466 0.01 . 1252 132 132 HIS HD2 H 7.114 0.01 . 1253 132 132 HIS C C 174.163 0.06 . 1254 132 132 HIS CA C 53.080 0.08 . 1255 132 132 HIS CB C 31.936 0.13 . 1256 132 132 HIS N N 126.133 0.05 . 1257 133 133 TYR H H 9.870 0.01 . 1258 133 133 TYR HA H 4.260 0.01 . 1259 133 133 TYR HB2 H 3.229 0.01 . 1260 133 133 TYR HB3 H 3.013 0.02 . 1261 133 133 TYR HD1 H 6.987 0.00 . 1262 133 133 TYR HD2 H 6.987 0.00 . 1263 133 133 TYR HE1 H 6.618 0.01 . 1264 133 133 TYR HE2 H 6.618 0.01 . 1265 133 133 TYR C C 172.740 0.03 . 1266 133 133 TYR CA C 56.792 0.19 . 1267 133 133 TYR CB C 41.371 0.04 . 1268 133 133 TYR N N 131.679 0.03 . 1269 134 134 GLN H H 8.014 0.01 . 1270 134 134 GLN HA H 4.737 0.02 . 1271 134 134 GLN HB2 H 1.331 0.02 . 1272 134 134 GLN HB3 H 1.562 0.01 . 1273 134 134 GLN HG2 H 1.878 0.01 . 1274 134 134 GLN C C 174.342 0.01 . 1275 134 134 GLN CA C 54.437 0.14 . 1276 134 134 GLN CB C 33.812 0.16 . 1277 134 134 GLN CG C 35.268 0.03 . 1278 134 134 GLN N N 124.774 0.05 . 1279 135 135 SER H H 8.744 0.00 . 1280 135 135 SER HA H 4.373 0.01 . 1281 135 135 SER HB2 H 3.548 0.00 . 1282 135 135 SER HB3 H 3.548 0.00 . 1283 135 135 SER C C 174.026 0.03 . 1284 135 135 SER CA C 56.287 0.04 . 1285 135 135 SER CB C 64.037 0.10 . 1286 135 135 SER N N 118.113 0.02 . 1287 136 136 LYS H H 7.689 0.00 . 1288 136 136 LYS HA H 4.280 0.01 . 1289 136 136 LYS HB2 H 1.813 0.01 . 1290 136 136 LYS HB3 H 1.646 0.01 . 1291 136 136 LYS HG2 H 1.420 0.00 . 1292 136 136 LYS HG3 H 1.420 0.00 . 1293 136 136 LYS HD2 H 1.425 0.00 . 1294 136 136 LYS HD3 H 1.425 0.00 . 1295 136 136 LYS C C 177.229 0.01 . 1296 136 136 LYS CA C 56.721 0.04 . 1297 136 136 LYS CB C 33.063 0.10 . 1298 136 136 LYS CG C 24.919 0.09 . 1299 136 136 LYS CE C 47.099 0.00 . 1300 136 136 LYS N N 120.721 0.04 . 1301 137 137 ARG H H 8.996 0.01 . 1302 137 137 ARG C C 173.610 0.00 . 1303 137 137 ARG CA C 52.267 0.01 . 1304 137 137 ARG CB C 31.634 0.00 . 1305 137 137 ARG N N 121.925 0.03 . 1306 138 138 PRO HA H 4.866 0.01 . 1307 138 138 PRO C C 175.748 0.00 . 1308 138 138 PRO CA C 61.570 0.04 . 1309 138 138 PRO CB C 28.390 0.03 . 1310 139 139 PHE H H 8.816 0.01 . 1311 139 139 PHE HA H 5.371 0.01 . 1312 139 139 PHE HB2 H 4.374 0.02 . 1313 139 139 PHE HB3 H 3.623 0.01 . 1314 139 139 PHE HD1 H 7.117 0.01 . 1315 139 139 PHE HD2 H 7.117 0.01 . 1316 139 139 PHE HE1 H 6.645 0.03 . 1317 139 139 PHE HE2 H 6.645 0.03 . 1318 139 139 PHE C C 177.396 0.01 . 1319 139 139 PHE CA C 57.651 0.09 . 1320 139 139 PHE CB C 40.159 0.05 . 1321 139 139 PHE N N 121.365 0.02 . 1322 140 140 ALA H H 9.087 0.01 . 1323 140 140 ALA HA H 3.451 0.01 . 1324 140 140 ALA HB H 1.483 0.01 . 1325 140 140 ALA C C 180.251 0.01 . 1326 140 140 ALA CA C 56.959 0.06 . 1327 140 140 ALA CB C 19.690 0.06 . 1328 140 140 ALA N N 124.569 0.02 . 1329 141 141 SER H H 9.361 0.01 . 1330 141 141 SER HA H 4.491 0.00 . 1331 141 141 SER HB2 H 4.043 0.01 . 1332 141 141 SER HB3 H 4.043 0.01 . 1333 141 141 SER C C 175.596 0.00 . 1334 141 141 SER CA C 62.758 0.22 . 1335 141 141 SER N N 112.836 0.03 . 1336 142 142 PHE H H 7.262 0.02 . 1337 142 142 PHE HA H 3.940 0.00 . 1338 142 142 PHE HB2 H 3.800 0.01 . 1339 142 142 PHE HB3 H 2.833 0.00 . 1340 142 142 PHE HD1 H 6.665 0.01 . 1341 142 142 PHE HD2 H 6.665 0.01 . 1342 142 142 PHE C C 176.783 0.02 . 1343 142 142 PHE CA C 59.166 0.01 . 1344 142 142 PHE CB C 39.611 0.14 . 1345 142 142 PHE N N 123.330 0.02 . 1346 143 143 ALA H H 8.196 0.02 . 1347 143 143 ALA HA H 4.261 0.01 . 1348 143 143 ALA HB H 2.067 0.01 . 1349 143 143 ALA C C 178.510 0.03 . 1350 143 143 ALA CA C 55.689 0.04 . 1351 143 143 ALA CB C 17.421 0.05 . 1352 143 143 ALA N N 120.337 0.04 . 1353 144 144 GLU H H 8.106 0.01 . 1354 144 144 GLU HA H 3.391 0.01 . 1355 144 144 GLU HB2 H 2.449 0.01 . 1356 144 144 GLU HB3 H 1.834 0.01 . 1357 144 144 GLU HG2 H 2.437 0.00 . 1358 144 144 GLU HG3 H 2.437 0.00 . 1359 144 144 GLU C C 177.882 0.02 . 1360 144 144 GLU CA C 60.564 0.04 . 1361 144 144 GLU CB C 29.768 0.03 . 1362 144 144 GLU N N 115.891 0.02 . 1363 145 145 GLY H H 7.553 0.01 . 1364 145 145 GLY HA2 H 4.311 0.01 . 1365 145 145 GLY HA3 H 3.733 0.02 . 1366 145 145 GLY C C 175.184 0.00 . 1367 145 145 GLY CA C 48.196 0.03 . 1368 145 145 GLY N N 105.549 0.03 . 1369 146 146 LEU H H 7.733 0.01 . 1370 146 146 LEU HA H 3.093 0.01 . 1371 146 146 LEU HB2 H 0.123 0.01 . 1372 146 146 LEU HB3 H 1.247 0.01 . 1373 146 146 LEU HG H -0.624 0.00 . 1374 146 146 LEU HD1 H -3.095 0.00 . 1375 146 146 LEU HD2 H -1.621 0.00 . 1376 146 146 LEU C C 179.050 0.00 . 1377 146 146 LEU CA C 58.037 0.07 . 1378 146 146 LEU CB C 41.312 0.09 . 1379 146 146 LEU CG C 25.719 0.01 . 1380 146 146 LEU CD1 C 24.749 0.09 . 1381 146 146 LEU N N 124.432 0.02 . 1382 147 147 LEU H H 8.043 0.00 . 1383 147 147 LEU HA H 3.822 0.02 . 1384 147 147 LEU HB2 H 2.026 0.02 . 1385 147 147 LEU HB3 H 2.272 0.00 . 1386 147 147 LEU HG H 0.841 0.00 . 1387 147 147 LEU HD1 H 1.140 0.00 . 1388 147 147 LEU HD2 H 0.340 0.00 . 1389 147 147 LEU C C 178.117 0.02 . 1390 147 147 LEU CA C 58.291 0.14 . 1391 147 147 LEU CB C 41.971 0.06 . 1392 147 147 LEU N N 118.366 0.03 . 1393 148 148 ASP H H 7.784 0.01 . 1394 148 148 ASP HA H 4.228 0.01 . 1395 148 148 ASP HB2 H 2.911 0.01 . 1396 148 148 ASP HB3 H 2.423 0.02 . 1397 148 148 ASP C C 180.303 0.01 . 1398 148 148 ASP CA C 57.039 0.19 . 1399 148 148 ASP CB C 40.740 0.09 . 1400 148 148 ASP N N 120.002 0.02 . 1401 149 149 GLY H H 8.598 0.01 . 1402 149 149 GLY HA2 H 3.543 0.01 . 1403 149 149 GLY HA3 H 3.396 0.01 . 1404 149 149 GLY C C 174.557 0.00 . 1405 149 149 GLY CA C 47.154 0.07 . 1406 149 149 GLY N N 109.194 0.03 . 1407 150 150 CYS H H 8.086 0.01 . 1408 150 150 CYS HA H 3.147 0.01 . 1409 150 150 CYS HB2 H 2.122 0.01 . 1410 150 150 CYS HB3 H 2.122 0.01 . 1411 150 150 CYS C C 175.248 0.01 . 1412 150 150 CYS CA C 61.529 0.06 . 1413 150 150 CYS CB C 25.964 0.05 . 1414 150 150 CYS N N 126.041 0.02 . 1415 151 151 ALA H H 7.651 0.02 . 1416 151 151 ALA HA H 3.147 0.01 . 1417 151 151 ALA HB H 0.499 0.01 . 1418 151 151 ALA C C 179.480 0.02 . 1419 151 151 ALA CA C 56.103 0.06 . 1420 151 151 ALA CB C 16.763 0.06 . 1421 151 151 ALA N N 121.521 0.02 . 1422 152 152 GLU H H 7.486 0.00 . 1423 152 152 GLU HA H 3.930 0.01 . 1424 152 152 GLU HB2 H 2.027 0.01 . 1425 152 152 GLU HB3 H 2.191 0.00 . 1426 152 152 GLU HG2 H 3.455 0.00 . 1427 152 152 GLU C C 180.003 0.02 . 1428 152 152 GLU CA C 59.226 0.09 . 1429 152 152 GLU CB C 29.480 0.11 . 1430 152 152 GLU CG C 36.106 0.00 . 1431 152 152 GLU N N 115.662 0.02 . 1432 153 153 TYR H H 8.366 0.01 . 1433 153 153 TYR HA H 4.026 0.02 . 1434 153 153 TYR HB2 H 3.109 0.03 . 1435 153 153 TYR HB3 H 3.076 0.02 . 1436 153 153 TYR HD1 H 6.452 0.01 . 1437 153 153 TYR HD2 H 6.452 0.01 . 1438 153 153 TYR C C 177.079 0.00 . 1439 153 153 TYR CA C 61.443 0.04 . 1440 153 153 TYR CB C 39.271 0.11 . 1441 153 153 TYR CD1 C 132.949 0.03 . 1442 153 153 TYR CD2 C 132.949 0.03 . 1443 153 153 TYR N N 122.454 0.03 . 1444 154 154 PHE H H 7.809 0.01 . 1445 154 154 PHE HA H 4.278 0.01 . 1446 154 154 PHE HB2 H 3.647 0.01 . 1447 154 154 PHE HB3 H 2.630 0.01 . 1448 154 154 PHE HD1 H 7.749 0.02 . 1449 154 154 PHE HD2 H 7.749 0.02 . 1450 154 154 PHE HE1 H 7.436 0.03 . 1451 154 154 PHE HE2 H 7.436 0.03 . 1452 154 154 PHE HZ H 7.205 0.03 . 1453 154 154 PHE C C 173.602 0.02 . 1454 154 154 PHE CA C 59.499 0.08 . 1455 154 154 PHE CB C 39.128 0.06 . 1456 154 154 PHE CD1 C 133.199 0.04 . 1457 154 154 PHE CD2 C 133.199 0.04 . 1458 154 154 PHE CE1 C 131.027 0.07 . 1459 154 154 PHE CE2 C 131.027 0.07 . 1460 154 154 PHE N N 114.586 0.02 . 1461 155 155 LYS H H 7.950 0.01 . 1462 155 155 LYS HA H 3.748 0.01 . 1463 155 155 LYS HB2 H 2.122 0.01 . 1464 155 155 LYS HB3 H 1.793 0.01 . 1465 155 155 LYS HG2 H 1.293 0.04 . 1466 155 155 LYS HG3 H 1.259 0.00 . 1467 155 155 LYS C C 175.296 0.01 . 1468 155 155 LYS CA C 57.057 0.08 . 1469 155 155 LYS CB C 28.522 0.04 . 1470 155 155 LYS CG C 24.969 0.11 . 1471 155 155 LYS CE C 41.589 0.00 . 1472 155 155 LYS N N 117.824 0.02 . 1473 156 156 GLU H H 8.543 0.01 . 1474 156 156 GLU HA H 4.584 0.01 . 1475 156 156 GLU HB2 H 1.814 0.02 . 1476 156 156 GLU HB3 H 1.624 0.02 . 1477 156 156 GLU HG2 H 1.596 0.00 . 1478 156 156 GLU HG3 H 2.281 0.00 . 1479 156 156 GLU C C 174.540 0.01 . 1480 156 156 GLU CA C 54.479 0.08 . 1481 156 156 GLU CB C 34.381 0.02 . 1482 156 156 GLU CG C 35.829 0.00 . 1483 156 156 GLU N N 118.472 0.03 . 1484 157 157 ASP H H 8.684 0.01 . 1485 157 157 ASP HA H 4.885 0.01 . 1486 157 157 ASP HB2 H 2.593 0.01 . 1487 157 157 ASP HB3 H 2.417 0.01 . 1488 157 157 ASP C C 176.202 0.03 . 1489 157 157 ASP CA C 53.303 0.07 . 1490 157 157 ASP CB C 42.562 0.07 . 1491 157 157 ASP N N 118.843 0.03 . 1492 158 158 PHE H H 8.954 0.01 . 1493 158 158 PHE HA H 5.792 0.01 . 1494 158 158 PHE HB2 H 3.232 0.01 . 1495 158 158 PHE HB3 H 2.920 0.01 . 1496 158 158 PHE HD1 H 6.932 0.02 . 1497 158 158 PHE HD2 H 6.932 0.02 . 1498 158 158 PHE HE1 H 7.402 0.02 . 1499 158 158 PHE HE2 H 7.402 0.02 . 1500 158 158 PHE C C 176.761 0.03 . 1501 158 158 PHE CA C 52.721 0.06 . 1502 158 158 PHE CB C 39.706 0.17 . 1503 158 158 PHE CD1 C 129.533 0.03 . 1504 158 158 PHE CD2 C 129.533 0.03 . 1505 158 158 PHE N N 123.347 0.02 . 1506 159 159 THR H H 9.132 0.01 . 1507 159 159 THR HA H 4.498 0.01 . 1508 159 159 THR HB H 4.038 0.01 . 1509 159 159 THR HG1 H 1.200 0.01 . 1510 159 159 THR HG2 H 1.180 0.01 . 1511 159 159 THR C C 173.812 0.00 . 1512 159 159 THR CA C 62.610 0.06 . 1513 159 159 THR CB C 69.679 0.28 . 1514 159 159 THR N N 119.070 0.02 . 1515 160 160 ILE H H 9.136 0.01 . 1516 160 160 ILE HA H 4.836 0.01 . 1517 160 160 ILE HB H 1.834 0.01 . 1518 160 160 ILE HG2 H 0.854 0.00 . 1519 160 160 ILE HD1 H 0.951 0.01 . 1520 160 160 ILE C C 175.375 0.03 . 1521 160 160 ILE CA C 60.790 0.05 . 1522 160 160 ILE CB C 40.451 0.09 . 1523 160 160 ILE CG1 C 27.897 0.00 . 1524 160 160 ILE CG2 C 17.989 0.01 . 1525 160 160 ILE N N 128.725 0.03 . 1526 161 161 SER H H 9.075 0.01 . 1527 161 161 SER HA H 5.001 0.01 . 1528 161 161 SER HB2 H 3.887 0.01 . 1529 161 161 SER HB3 H 3.887 0.01 . 1530 161 161 SER C C 173.606 0.01 . 1531 161 161 SER CA C 56.563 0.06 . 1532 161 161 SER CB C 65.706 0.07 . 1533 161 161 SER N N 122.058 0.03 . 1534 162 162 ARG H H 8.985 0.01 . 1535 162 162 ARG HA H 5.301 0.01 . 1536 162 162 ARG HB2 H 1.559 0.02 . 1537 162 162 ARG HB3 H 1.948 0.00 . 1538 162 162 ARG HG2 H 1.258 0.00 . 1539 162 162 ARG HG3 H 1.258 0.00 . 1540 162 162 ARG C C 178.282 0.01 . 1541 162 162 ARG CA C 54.862 0.08 . 1542 162 162 ARG CB C 31.739 0.05 . 1543 162 162 ARG N N 122.750 0.02 . 1544 163 163 THR H H 8.372 0.00 . 1545 163 163 THR HA H 4.431 0.01 . 1546 163 163 THR HB H 1.705 0.00 . 1547 163 163 THR HG2 H 1.200 0.00 . 1548 163 163 THR C C 174.150 0.00 . 1549 163 163 THR CA C 60.048 0.07 . 1550 163 163 THR CB C 67.677 0.00 . 1551 163 163 THR N N 114.711 0.02 . 1552 164 164 PRO HA H 4.259 0.01 . 1553 164 164 PRO HB2 H 2.351 0.02 . 1554 164 164 PRO HB3 H 1.902 0.01 . 1555 164 164 PRO HD2 H 4.106 0.00 . 1556 164 164 PRO HD3 H 4.106 0.00 . 1557 164 164 PRO C C 179.370 0.00 . 1558 164 164 PRO CA C 65.387 0.06 . 1559 164 164 PRO CB C 31.578 0.02 . 1560 164 164 PRO CG C 28.178 0.00 . 1561 165 165 GLU H H 8.937 0.00 . 1562 165 165 GLU HA H 4.235 0.01 . 1563 165 165 GLU HB2 H 2.063 0.01 . 1564 165 165 GLU HB3 H 2.174 0.00 . 1565 165 165 GLU C C 177.409 0.03 . 1566 165 165 GLU CA C 58.791 0.04 . 1567 165 165 GLU CB C 28.346 0.02 . 1568 165 165 GLU N N 113.712 0.01 . 1569 166 166 THR H H 7.867 0.01 . 1570 166 166 THR HA H 4.711 0.01 . 1571 166 166 THR HB H 5.167 0.01 . 1572 166 166 THR HG2 H 0.986 0.01 . 1573 166 166 THR C C 174.858 0.02 . 1574 166 166 THR CA C 61.313 0.07 . 1575 166 166 THR CB C 69.853 0.02 . 1576 166 166 THR N N 108.164 0.02 . 1577 167 167 GLN H H 7.161 0.01 . 1578 167 167 GLN HA H 3.824 0.01 . 1579 167 167 GLN HB2 H 2.120 0.00 . 1580 167 167 GLN HB3 H 1.967 0.01 . 1581 167 167 GLN HG2 H 2.481 0.01 . 1582 167 167 GLN HG3 H 2.356 0.01 . 1583 167 167 GLN C C 176.262 0.02 . 1584 167 167 GLN CA C 58.580 0.08 . 1585 167 167 GLN CB C 28.806 0.05 . 1586 167 167 GLN CG C 32.864 0.06 . 1587 167 167 GLN N N 119.267 0.03 . 1588 168 168 ASP H H 8.307 0.01 . 1589 168 168 ASP HA H 4.687 0.01 . 1590 168 168 ASP HB2 H 2.770 0.01 . 1591 168 168 ASP HB3 H 2.559 0.01 . 1592 168 168 ASP C C 175.612 0.02 . 1593 168 168 ASP CA C 54.057 0.07 . 1594 168 168 ASP CB C 40.761 0.10 . 1595 168 168 ASP N N 115.447 0.02 . 1596 169 169 SER H H 7.343 0.01 . 1597 169 169 SER HA H 4.455 0.01 . 1598 169 169 SER HB2 H 3.862 0.01 . 1599 169 169 SER C C 173.580 0.02 . 1600 169 169 SER CA C 56.992 0.03 . 1601 169 169 SER CB C 64.479 0.03 . 1602 169 169 SER N N 114.725 0.01 . 1603 170 170 GLU H H 8.585 0.00 . 1604 170 170 GLU HA H 4.900 0.02 . 1605 170 170 GLU HB2 H 2.476 0.02 . 1606 170 170 GLU HB3 H 2.404 0.00 . 1607 170 170 GLU HG2 H 2.437 0.00 . 1608 170 170 GLU C C 175.767 0.02 . 1609 170 170 GLU CA C 54.879 0.08 . 1610 170 170 GLU CB C 32.315 0.02 . 1611 170 170 GLU CG C 36.248 0.00 . 1612 170 170 GLU N N 118.807 0.03 . 1613 171 171 THR H H 8.474 0.01 . 1614 171 171 THR HA H 5.761 0.00 . 1615 171 171 THR HB H 6.306 0.00 . 1616 171 171 THR HG2 H 0.956 0.00 . 1617 171 171 THR C C 174.375 0.00 . 1618 171 171 THR CA C 61.989 0.00 . 1619 171 171 THR CB C 70.789 0.00 . 1620 171 171 THR N N 108.061 0.03 . 1621 172 172 ASP H H 7.824 0.01 . 1622 172 172 ASP HA H 5.510 0.01 . 1623 172 172 ASP HB2 H 2.846 0.01 . 1624 172 172 ASP HB3 H 2.361 0.01 . 1625 172 172 ASP C C 175.112 0.00 . 1626 172 172 ASP CA C 53.949 0.08 . 1627 172 172 ASP CB C 40.921 0.05 . 1628 172 172 ASP N N 125.370 0.03 . 1629 173 173 VAL H H 8.939 0.01 . 1630 173 173 VAL HA H 4.211 0.01 . 1631 173 173 VAL HB H 1.413 0.01 . 1632 173 173 VAL HG1 H -0.032 0.01 . 1633 173 173 VAL HG2 H 0.854 0.01 . 1634 173 173 VAL C C 173.698 0.01 . 1635 173 173 VAL CA C 61.220 0.05 . 1636 173 173 VAL CB C 38.064 0.01 . 1637 173 173 VAL CG1 C 21.283 0.07 . 1638 173 173 VAL N N 120.876 0.03 . 1639 174 174 ILE H H 7.910 0.01 . 1640 174 174 ILE HA H 4.431 0.01 . 1641 174 174 ILE HB H 1.695 0.02 . 1642 174 174 ILE HG12 H 0.431 0.00 . 1643 174 174 ILE HG13 H 1.195 0.00 . 1644 174 174 ILE HG2 H 0.533 0.00 . 1645 174 174 ILE HD1 H 0.060 0.00 . 1646 174 174 ILE C C 173.740 0.03 . 1647 174 174 ILE CA C 60.733 0.06 . 1648 174 174 ILE CB C 37.388 0.14 . 1649 174 174 ILE CG1 C 13.426 0.05 . 1650 174 174 ILE CG2 C 18.180 0.07 . 1651 174 174 ILE N N 127.189 0.02 . 1652 175 175 PHE H H 9.290 0.02 . 1653 175 175 PHE HA H 5.303 0.01 . 1654 175 175 PHE HB2 H 3.130 0.01 . 1655 175 175 PHE HB3 H 2.800 0.02 . 1656 175 175 PHE HD1 H 7.156 0.01 . 1657 175 175 PHE HD2 H 7.156 0.01 . 1658 175 175 PHE HE1 H 6.528 0.02 . 1659 175 175 PHE HE2 H 6.528 0.02 . 1660 175 175 PHE C C 175.607 0.03 . 1661 175 175 PHE CA C 56.096 0.04 . 1662 175 175 PHE CB C 41.291 0.07 . 1663 175 175 PHE N N 123.610 0.03 . 1664 176 176 ASN H H 9.440 0.01 . 1665 176 176 ASN HA H 5.207 0.01 . 1666 176 176 ASN HB2 H 2.700 0.01 . 1667 176 176 ASN HB3 H 2.660 0.01 . 1668 176 176 ASN C C 174.632 0.03 . 1669 176 176 ASN CA C 53.148 0.08 . 1670 176 176 ASN CB C 39.908 0.04 . 1671 176 176 ASN N N 122.178 0.03 . 1672 177 177 ILE H H 9.015 0.02 . 1673 177 177 ILE HA H 4.990 0.01 . 1674 177 177 ILE HB H 1.383 0.01 . 1675 177 177 ILE HG12 H 1.417 0.01 . 1676 177 177 ILE HG13 H 1.417 0.01 . 1677 177 177 ILE HG2 H 0.141 0.01 . 1678 177 177 ILE HD1 H 0.687 0.01 . 1679 177 177 ILE C C 174.832 0.00 . 1680 177 177 ILE CA C 60.464 0.06 . 1681 177 177 ILE CB C 40.560 0.09 . 1682 177 177 ILE CG1 C 28.079 0.00 . 1683 177 177 ILE CG2 C 17.329 0.05 . 1684 177 177 ILE N N 124.699 0.02 . 1685 178 178 THR H H 8.464 0.01 . 1686 178 178 THR HA H 5.618 0.01 . 1687 178 178 THR HB H 3.785 0.01 . 1688 178 178 THR HG2 H 1.220 0.01 . 1689 178 178 THR C C 173.786 0.04 . 1690 178 178 THR CA C 60.435 0.05 . 1691 178 178 THR CB C 71.943 0.10 . 1692 178 178 THR N N 123.220 0.04 . 1693 179 179 ARG H H 8.656 0.01 . 1694 179 179 ARG HA H 5.585 0.01 . 1695 179 179 ARG HB2 H 1.545 0.02 . 1696 179 179 ARG HB3 H 1.422 0.01 . 1697 179 179 ARG C C 173.832 0.03 . 1698 179 179 ARG CA C 53.375 0.08 . 1699 179 179 ARG CB C 33.515 0.13 . 1700 179 179 ARG CG C 25.176 0.00 . 1701 179 179 ARG N N 123.451 0.02 . 1702 180 180 ALA H H 8.386 0.01 . 1703 180 180 ALA HA H 4.683 0.00 . 1704 180 180 ALA HB H 1.370 0.00 . 1705 180 180 ALA C C 174.516 0.00 . 1706 180 180 ALA CA C 49.898 0.01 . 1707 180 180 ALA CB C 19.990 0.00 . 1708 180 180 ALA N N 125.117 0.03 . 1709 181 181 PRO HA H 4.423 0.01 . 1710 181 181 PRO HB2 H 2.302 0.01 . 1711 181 181 PRO HB3 H 1.851 0.01 . 1712 181 181 PRO HG2 H 1.932 0.00 . 1713 181 181 PRO HG3 H 2.017 0.00 . 1714 181 181 PRO HD2 H 3.723 0.00 . 1715 181 181 PRO HD3 H 3.596 0.01 . 1716 181 181 PRO C C 176.968 0.00 . 1717 181 181 PRO CA C 62.754 0.04 . 1718 181 181 PRO CB C 32.015 0.05 . 1719 181 181 PRO CG C 27.440 0.00 . 1720 182 182 ARG H H 8.460 0.00 . 1721 182 182 ARG HA H 4.245 0.01 . 1722 182 182 ARG HB2 H 1.734 0.01 . 1723 182 182 ARG HB3 H 1.574 0.01 . 1724 182 182 ARG HG2 H 2.083 0.00 . 1725 182 182 ARG HG3 H 2.083 0.00 . 1726 182 182 ARG HD2 H 3.060 0.01 . 1727 182 182 ARG HD3 H 3.262 0.00 . 1728 182 182 ARG HE H 6.552 0.01 . 1729 182 182 ARG C C 177.184 0.00 . 1730 182 182 ARG CA C 56.453 0.09 . 1731 182 182 ARG CB C 30.762 0.07 . 1732 182 182 ARG CG C 27.371 0.00 . 1733 182 182 ARG CD C 43.549 0.09 . 1734 182 182 ARG N N 122.609 0.02 . 1735 183 183 GLY H H 8.602 0.01 . 1736 183 183 GLY HA2 H 3.958 0.01 . 1737 183 183 GLY HA3 H 3.862 0.02 . 1738 183 183 GLY C C 173.815 0.02 . 1739 183 183 GLY CA C 45.116 0.09 . 1740 183 183 GLY N N 110.971 0.01 . 1741 184 184 ALA H H 8.227 0.01 . 1742 184 184 ALA HA H 4.249 0.01 . 1743 184 184 ALA HB H 1.344 0.01 . 1744 184 184 ALA C C 177.812 0.02 . 1745 184 184 ALA CA C 52.562 0.02 . 1746 184 184 ALA CB C 19.303 0.08 . 1747 184 184 ALA N N 123.848 0.01 . 1748 185 185 GLU H H 8.547 0.01 . 1749 185 185 GLU HA H 4.153 0.03 . 1750 185 185 GLU HB2 H 1.971 0.01 . 1751 185 185 GLU HB3 H 1.867 0.02 . 1752 185 185 GLU HG2 H 2.221 0.01 . 1753 185 185 GLU HG3 H 2.184 0.01 . 1754 185 185 GLU C C 176.109 0.00 . 1755 185 185 GLU CA C 56.649 0.07 . 1756 185 185 GLU CB C 30.050 0.06 . 1757 185 185 GLU CG C 36.217 0.00 . 1758 185 185 GLU N N 119.617 0.02 . 1759 186 186 ASN H H 8.370 0.01 . 1760 186 186 ASN HA H 4.610 0.01 . 1761 186 186 ASN HB2 H 2.670 0.01 . 1762 186 186 ASN HB3 H 2.632 0.02 . 1763 186 186 ASN C C 174.611 0.01 . 1764 186 186 ASN CA C 53.125 0.01 . 1765 186 186 ASN CB C 38.751 0.09 . 1766 186 186 ASN N N 119.175 0.02 . 1767 187 187 LEU H H 8.086 0.01 . 1768 187 187 LEU HA H 4.210 0.01 . 1769 187 187 LEU HB2 H 1.369 0.02 . 1770 187 187 LEU HB3 H 1.420 0.02 . 1771 187 187 LEU HD1 H 0.820 0.01 . 1772 187 187 LEU HD2 H 0.736 0.00 . 1773 187 187 LEU C C 175.962 0.02 . 1774 187 187 LEU CA C 55.113 0.09 . 1775 187 187 LEU CB C 42.261 0.07 . 1776 187 187 LEU CG C 26.726 0.00 . 1777 187 187 LEU CD1 C 24.898 0.05 . 1778 187 187 LEU CD2 C 23.056 0.05 . 1779 187 187 LEU N N 122.628 0.03 . 1780 188 188 TYR H H 7.569 0.01 . 1781 188 188 TYR HA H 4.331 0.00 . 1782 188 188 TYR HB2 H 3.046 0.02 . 1783 188 188 TYR HB3 H 2.802 0.01 . 1784 188 188 TYR HD1 H 7.039 0.03 . 1785 188 188 TYR HD2 H 7.039 0.03 . 1786 188 188 TYR HE1 H 7.132 0.02 . 1787 188 188 TYR HE2 H 7.132 0.02 . 1788 188 188 TYR C C 180.397 0.00 . 1789 188 188 TYR CA C 58.776 0.05 . 1790 188 188 TYR CB C 39.339 0.07 . 1791 188 188 TYR CD1 C 133.208 0.04 . 1792 188 188 TYR CD2 C 133.208 0.04 . 1793 188 188 TYR CE1 C 133.425 0.04 . 1794 188 188 TYR CE2 C 133.425 0.04 . 1795 188 188 TYR N N 124.641 0.02 . 1796 189 189 PHE H H 8.217 0.00 . 1797 189 189 PHE N N 119.720 0.00 . stop_ save_