data_17546 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Refined Structural Basis for the Photoconversion of A Phytochrome to the Activated FAR-RED LIGHT-ABSORBING Form ; _BMRB_accession_number 17546 _BMRB_flat_file_name bmr17546.str _Entry_type original _Submission_date 2011-03-23 _Accession_date 2011-03-23 _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 Cornilescu Claudia C. . 2 Cornilescu Gabriel . . 3 Ulijasz Andrew T. . 4 Vierstra Richard D. . 5 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 591 "13C chemical shifts" 587 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-03 original author . stop_ _Original_release_date 2011-05-03 save_ ############################# # Citation for this entry # ############################# save_Pfr _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the photoconversion of a phytochrome to the activated Pfr form' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20075921 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ulijasz Andrew T. . 2 Cornilescu Gabriel . . 3 Cornilescu Claudia C. . 4 Zhang Junrui . . 5 Rivera Mario . . 6 Markley John L. . 7 Vierstra Richard D. . stop_ _Journal_abbreviation Nature _Journal_volume 463 _Journal_issue 7278 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 250 _Page_last 254 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Phytochrome _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Phytochrome $Phytochrome 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_Phytochrome _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Phytochrome _Molecular_mass 18968.801 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; PSRLIRQSLDQILRATVEEV RAFLGTDRVKVYRFDPEGHG TVVAEARGGERLPSLLGLTF AGDIEARRLFRLAQVRVIVD VEAQSRSISQWSARVEPLQR PVDPXHVHYLKSMGVASSLV VPLMHHQELWGLLVSHHAEP YSQEQVVLLADQVSIAIAQA ELSL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 PRO 2 13 SER 3 14 ARG 4 17 LEU 5 18 ILE 6 26 ARG 7 27 GLN 8 28 SER 9 31 LEU 10 32 ASP 11 33 GLN 12 34 ILE 13 35 LEU 14 36 ARG 15 37 ALA 16 38 THR 17 39 VAL 18 40 GLU 19 41 GLU 20 42 VAL 21 43 ARG 22 44 ALA 23 45 PHE 24 46 LEU 25 47 GLY 26 48 THR 27 49 ASP 28 50 ARG 29 51 VAL 30 52 LYS 31 53 VAL 32 54 TYR 33 55 ARG 34 56 PHE 35 57 ASP 36 58 PRO 37 59 GLU 38 60 GLY 39 61 HIS 40 62 GLY 41 63 THR 42 64 VAL 43 65 VAL 44 66 ALA 45 67 GLU 46 68 ALA 47 69 ARG 48 70 GLY 49 71 GLY 50 72 GLU 51 73 ARG 52 74 LEU 53 75 PRO 54 76 SER 55 77 LEU 56 78 LEU 57 79 GLY 58 80 LEU 59 81 THR 60 82 PHE 61 84 ALA 62 85 GLY 63 86 ASP 64 87 ILE 65 90 GLU 66 91 ALA 67 92 ARG 68 93 ARG 69 94 LEU 70 95 PHE 71 96 ARG 72 97 LEU 73 98 ALA 74 99 GLN 75 100 VAL 76 101 ARG 77 102 VAL 78 103 ILE 79 104 VAL 80 105 ASP 81 106 VAL 82 107 GLU 83 108 ALA 84 109 GLN 85 110 SER 86 111 ARG 87 112 SER 88 113 ILE 89 114 SER 90 115 GLN 91 119 TRP 92 122 SER 93 123 ALA 94 124 ARG 95 125 VAL 96 129 GLU 97 130 PRO 98 131 LEU 99 132 GLN 100 133 ARG 101 134 PRO 102 135 VAL 103 136 ASP 104 137 PRO 105 138 CYC 106 139 HIS 107 140 VAL 108 141 HIS 109 142 TYR 110 143 LEU 111 144 LYS 112 145 SER 113 146 MET 114 147 GLY 115 148 VAL 116 149 ALA 117 150 SER 118 151 SER 119 152 LEU 120 153 VAL 121 154 VAL 122 155 PRO 123 156 LEU 124 157 MET 125 158 HIS 126 159 HIS 127 160 GLN 128 161 GLU 129 162 LEU 130 163 TRP 131 164 GLY 132 165 LEU 133 166 LEU 134 167 VAL 135 168 SER 136 169 HIS 137 170 HIS 138 171 ALA 139 172 GLU 140 175 PRO 141 176 TYR 142 177 SER 143 178 GLN 144 179 GLU 145 182 GLN 146 183 VAL 147 184 VAL 148 186 LEU 149 187 LEU 150 188 ALA 151 189 ASP 152 190 GLN 153 191 VAL 154 192 SER 155 193 ILE 156 194 ALA 157 195 ILE 158 196 ALA 159 197 GLN 160 198 ALA 161 199 GLU 162 200 LEU 163 201 SER 164 202 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_CYC _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common PHYCOCYANOBILIN _BMRB_code . _PDB_code CYC _Standard_residue_derivative . _Molecular_mass 588.694 _Mol_paramagnetic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 12:21:20 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CHA CHA C . 0 . ? NA NA N . 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 . ? CHB CHB C . 0 . ? NB NB N . 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 . ? OB OB O . 0 . ? NC NC N . 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 . ? OC OC O . 0 . ? CHD CHD C . 0 . ? ND ND N . 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 . ? HHA HHA H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? H2A H2A H . 0 . ? HHB HHB H . 0 . ? HB HB H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HAB1 HAB1 H . 0 . ? HAB2 HAB2 H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HBB3 HBB3 H . 0 . ? HC HC H . 0 . ? H2C H2C H . 0 . ? H3C H3C H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HAC1 HAC1 H . 0 . ? HAC2 HAC2 H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HBC3 HBC3 H . 0 . ? HHD HHD H . 0 . ? HD HD H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? H2D H2D 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 DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? SING NA C1A ? ? DOUB NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? SING C4A CHB ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? DOUB CHB C1B ? ? SING CHB HHB ? ? SING NB C1B ? ? SING NB C4B ? ? SING NB HB ? ? SING C1B C2B ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? DOUB C4B OB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? SING CAB CBB ? ? SING CAB HAB1 ? ? SING CAB HAB2 ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING CBB HBB3 ? ? SING NC C1C ? ? SING NC C4C ? ? SING NC HC ? ? SING C1C C2C ? ? DOUB C1C OC ? ? SING C2C C3C ? ? SING C2C CMC ? ? SING C2C H2C ? ? SING C3C C4C ? ? SING C3C CAC ? ? SING C3C H3C ? ? DOUB C4C CHD ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? SING CAC CBC ? ? SING CAC HAC1 ? ? SING CAC HAC2 ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? SING CBC HBC3 ? ? SING CHD C1D ? ? SING CHD HHD ? ? SING ND C1D ? ? SING ND C4D ? ? SING ND HD ? ? DOUB C1D C2D ? ? SING C2D C3D ? ? SING C2D CMD ? ? DOUB C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Phytochrome 'Synechococcus SP' 1131 Bacteria . Synechococcus SP 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 $Phytochrome 'recombinant technology' . Escherichia coli . PGEX-4T 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Phytochrome . mM 1 2 '[U-13C; U-15N]' H2O 93 % . . 'natural abundance' D2O 7 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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' 10 1 mM pH 8.5 0.1 pH pressure 1 . atm temperature 298 0.1 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 4.773 internal indirect . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1.000000000 water N 15 protons ppm 4.773 internal 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 '3D 1H-13C NOESY' 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 Phytochrome _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 12 1 PRO C C 176.214 . . 2 12 1 PRO CA C 63.477 . . 3 12 1 PRO CB C 32.013 . . 4 13 2 SER H H 7.993 . . 5 13 2 SER C C 177.801 . . 6 13 2 SER CA C 64.627 . . 7 13 2 SER CB C 64.760 . . 8 13 2 SER N N 121.843 . . 9 14 3 ARG H H 7.522 . . 10 14 3 ARG N N 123.632 . . 11 17 4 LEU HA H 3.816 . . 12 17 4 LEU HB2 H 1.648 . . 13 17 4 LEU C C 177.942 . . 14 17 4 LEU CA C 58.148 . . 15 17 4 LEU CB C 41.845 . . 16 17 4 LEU CD1 C 25.386 . . 17 18 5 ILE H H 7.910 . . 18 18 5 ILE N N 118.063 . . 19 26 6 ARG C C 178.781 . . 20 26 6 ARG CA C 60.067 . . 21 26 6 ARG CB C 29.282 . . 22 27 7 GLN H H 8.003 . . 23 27 7 GLN C C 176.793 . . 24 27 7 GLN CA C 58.619 . . 25 27 7 GLN CB C 30.212 . . 26 27 7 GLN N N 118.920 . . 27 28 8 SER H H 8.175 . . 28 28 8 SER N N 118.066 . . 29 31 9 LEU HA H 3.906 . . 30 31 9 LEU HB2 H 1.49 . . 31 31 9 LEU HB3 H 1.42 . . 32 31 9 LEU HD1 H 0.85 . . 33 31 9 LEU HD2 H 0.62 . . 34 31 9 LEU C C 178.254 . . 35 31 9 LEU CA C 58.328 . . 36 31 9 LEU CB C 41.636 . . 37 31 9 LEU CD1 C 26.0 . . 38 31 9 LEU CD2 C 23.0 . . 39 32 10 ASP H H 8.865 . . 40 32 10 ASP HA H 4.234 . . 41 32 10 ASP HB2 H 2.694 . . 42 32 10 ASP HB3 H 2.655 . . 43 32 10 ASP C C 178.689 . . 44 32 10 ASP CA C 58.138 . . 45 32 10 ASP CB C 40.635 . . 46 32 10 ASP N N 116.668 . . 47 33 11 GLN H H 7.396 . . 48 33 11 GLN HA H 4.051 . . 49 33 11 GLN HB2 H 2.280 . . 50 33 11 GLN HG2 H 2.477 . . 51 33 11 GLN HE21 H 7.46 . . 52 33 11 GLN HE22 H 6.74 . . 53 33 11 GLN C C 178.967 . . 54 33 11 GLN CA C 58.725 . . 55 33 11 GLN CB C 28.418 . . 56 33 11 GLN CG C 33.976 . . 57 33 11 GLN N N 116.956 . . 58 33 11 GLN NE2 N 111.50 . . 59 34 12 ILE H H 7.766 . . 60 34 12 ILE HA H 3.740 . . 61 34 12 ILE C C 179.745 . . 62 34 12 ILE CA C 64.484 . . 63 34 12 ILE CB C 37.803 . . 64 34 12 ILE N N 121.822 . . 65 35 13 LEU H H 8.891 . . 66 35 13 LEU HA H 3.83 . . 67 35 13 LEU HB2 H 2.1 . . 68 35 13 LEU HD1 H 0.98 . . 69 35 13 LEU HD2 H 0.64 . . 70 35 13 LEU C C 178.424 . . 71 35 13 LEU CA C 58.389 . . 72 35 13 LEU CB C 41.283 . . 73 35 13 LEU CD1 C 26.3 . . 74 35 13 LEU CD2 C 22.1 . . 75 35 13 LEU N N 122.005 . . 76 36 14 ARG H H 7.898 . . 77 36 14 ARG HA H 3.966 . . 78 36 14 ARG HB2 H 1.93 . . 79 36 14 ARG HG2 H 1.67 . . 80 36 14 ARG HD2 H 3.305 . . 81 36 14 ARG HD3 H 3.20 . . 82 36 14 ARG C C 177.784 . . 83 36 14 ARG CA C 59.947 . . 84 36 14 ARG CB C 30.382 . . 85 36 14 ARG CG C 28.4 . . 86 36 14 ARG CD C 43.921 . . 87 36 14 ARG N N 118.516 . . 88 37 15 ALA H H 7.988 . . 89 37 15 ALA HA H 4.147 . . 90 37 15 ALA HB H 1.476 . . 91 37 15 ALA C C 180.065 . . 92 37 15 ALA CA C 54.675 . . 93 37 15 ALA CB C 18.261 . . 94 37 15 ALA N N 120.131 . . 95 38 16 THR H H 8.229 . . 96 38 16 THR HA H 3.637 . . 97 38 16 THR HB H 4.20 . . 98 38 16 THR C C 176.569 . . 99 38 16 THR CA C 68.436 . . 100 38 16 THR CB C 68.156 . . 101 38 16 THR N N 113.871 . . 102 39 17 VAL H H 8.028 . . 103 39 17 VAL HA H 3.768 . . 104 39 17 VAL HB H 1.98 . . 105 39 17 VAL HG1 H 1.12 . . 106 39 17 VAL HG2 H 0.86 . . 107 39 17 VAL C C 177.657 . . 108 39 17 VAL CA C 66.114 . . 109 39 17 VAL CB C 30.391 . . 110 39 17 VAL CG1 C 20.6 . . 111 39 17 VAL CG2 C 24.6 . . 112 39 17 VAL N N 112.859 . . 113 40 18 GLU H H 7.638 . . 114 40 18 GLU HA H 3.92 . . 115 40 18 GLU HB2 H 2.08 . . 116 40 18 GLU HG2 H 2.49 . . 117 40 18 GLU C C 179.889 . . 118 40 18 GLU CA C 59.379 . . 119 40 18 GLU CB C 29.287 . . 120 40 18 GLU CG C 36.094 . . 121 40 18 GLU N N 120.495 . . 122 41 19 GLU H H 8.454 . . 123 41 19 GLU C C 179.15 . . 124 41 19 GLU CA C 59.445 . . 125 41 19 GLU CB C 28.163 . . 126 41 19 GLU N N 119.490 . . 127 42 20 VAL H H 8.78 . . 128 42 20 VAL HA H 3.54 . . 129 42 20 VAL HB H 2.12 . . 130 42 20 VAL HG1 H 1.06 . . 131 42 20 VAL HG2 H 0.93 . . 132 42 20 VAL C C 177.267 . . 133 42 20 VAL CA C 67.3 . . 134 42 20 VAL CB C 31.6 . . 135 42 20 VAL CG1 C 25.2 . . 136 42 20 VAL CG2 C 22.9 . . 137 42 20 VAL N N 120.3 . . 138 43 21 ARG H H 8.590 . . 139 43 21 ARG C C 177.125 . . 140 43 21 ARG CA C 58.178 . . 141 43 21 ARG CB C 29.554 . . 142 43 21 ARG N N 119.197 . . 143 44 22 ALA H H 7.990 . . 144 44 22 ALA HA H 4.14 . . 145 44 22 ALA HB H 1.562 . . 146 44 22 ALA C C 179.646 . . 147 44 22 ALA CA C 54.795 . . 148 44 22 ALA CB C 18.259 . . 149 44 22 ALA N N 119.444 . . 150 45 23 PHE H H 8.094 . . 151 45 23 PHE HA H 4.34 . . 152 45 23 PHE HB2 H 3.37 . . 153 45 23 PHE HB3 H 3.06 . . 154 45 23 PHE HD1 H 7.09 . . 155 45 23 PHE HE1 H 6.96 . . 156 45 23 PHE HZ H 7.01 . . 157 45 23 PHE C C 176.946 . . 158 45 23 PHE CA C 60.428 . . 159 45 23 PHE CB C 39.937 . . 160 45 23 PHE CD1 C 130.93 . . 161 45 23 PHE CE1 C 131.5 . . 162 45 23 PHE N N 118.130 . . 163 46 24 LEU H H 8.433 . . 164 46 24 LEU HA H 3.762 . . 165 46 24 LEU HB2 H 1.86 . . 166 46 24 LEU HB3 H 1.34 . . 167 46 24 LEU HD1 H 0.86 . . 168 46 24 LEU HD2 H 0.80 . . 169 46 24 LEU C C 178.063 . . 170 46 24 LEU CA C 55.108 . . 171 46 24 LEU CB C 44.498 . . 172 46 24 LEU CD1 C 26.374 . . 173 46 24 LEU CD2 C 22.1 . . 174 46 24 LEU N N 114.838 . . 175 47 25 GLY H H 8.764 . . 176 47 25 GLY HA2 H 3.850 . . 177 47 25 GLY C C 176.061 . . 178 47 25 GLY CA C 46.445 . . 179 47 25 GLY N N 109.523 . . 180 48 26 THR H H 7.022 . . 181 48 26 THR HA H 4.782 . . 182 48 26 THR HB H 4.593 . . 183 48 26 THR C C 176.114 . . 184 48 26 THR CA C 59.007 . . 185 48 26 THR CB C 70.728 . . 186 48 26 THR N N 105.919 . . 187 49 27 ASP H H 10.302 . . 188 49 27 ASP C C 178.710 . . 189 49 27 ASP CA C 59.105 . . 190 49 27 ASP CB C 43.026 . . 191 49 27 ASP N N 120.829 . . 192 50 28 ARG H H 8.530 . . 193 50 28 ARG HA H 5.215 . . 194 50 28 ARG C C 173.302 . . 195 50 28 ARG CA C 56.940 . . 196 50 28 ARG CB C 35.928 . . 197 50 28 ARG N N 119.846 . . 198 51 29 VAL H H 9.280 . . 199 51 29 VAL HA H 5.48 . . 200 51 29 VAL HB H 1.879 . . 201 51 29 VAL HG1 H 0.908 . . 202 51 29 VAL C C 174.579 . . 203 51 29 VAL CA C 60.488 . . 204 51 29 VAL CB C 35.142 . . 205 51 29 VAL CG1 C 21.975 . . 206 51 29 VAL N N 128.401 . . 207 52 30 LYS H H 9.552 . . 208 52 30 LYS HA H 5.404 . . 209 52 30 LYS HB2 H 1.65 . . 210 52 30 LYS HB3 H 1.42 . . 211 52 30 LYS C C 176.307 . . 212 52 30 LYS CA C 54.358 . . 213 52 30 LYS CB C 35.727 . . 214 52 30 LYS CG C 23.159 . . 215 52 30 LYS N N 124.977 . . 216 53 31 VAL H H 8.278 . . 217 53 31 VAL HA H 4.79 . . 218 53 31 VAL HB H 1.79 . . 219 53 31 VAL HG1 H 0.95 . . 220 53 31 VAL HG2 H 0.88 . . 221 53 31 VAL C C 173.174 . . 222 53 31 VAL CA C 62.449 . . 223 53 31 VAL CB C 33.336 . . 224 53 31 VAL CG1 C 22.4 . . 225 53 31 VAL CG2 C 22.049 . . 226 53 31 VAL N N 117.968 . . 227 54 32 TYR H H 9.312 . . 228 54 32 TYR HA H 4.897 . . 229 54 32 TYR HB2 H 2.58 . . 230 54 32 TYR HB3 H 2.12 . . 231 54 32 TYR HD1 H 6.11 . . 232 54 32 TYR HE1 H 6.35 . . 233 54 32 TYR C C 172.873 . . 234 54 32 TYR CA C 55.362 . . 235 54 32 TYR CB C 42.414 . . 236 54 32 TYR CD1 C 131.8 . . 237 54 32 TYR CE1 C 117.75 . . 238 54 32 TYR N N 132.372 . . 239 55 33 ARG H H 8.721 . . 240 55 33 ARG HA H 3.892 . . 241 55 33 ARG C C 175.874 . . 242 55 33 ARG CA C 54.862 . . 243 55 33 ARG CB C 34.227 . . 244 55 33 ARG CG C 26.027 . . 245 55 33 ARG N N 128.165 . . 246 56 34 PHE H H 7.790 . . 247 56 34 PHE HA H 4.564 . . 248 56 34 PHE HB2 H 3.104 . . 249 56 34 PHE HB3 H 2.469 . . 250 56 34 PHE HD1 H 7.11 . . 251 56 34 PHE HE1 H 7.35 . . 252 56 34 PHE HZ H 7.21 . . 253 56 34 PHE C C 175.508 . . 254 56 34 PHE CA C 59.736 . . 255 56 34 PHE CB C 39.931 . . 256 56 34 PHE CD1 C 131.6 . . 257 56 34 PHE CE1 C 131.27 . . 258 56 34 PHE N N 124.972 . . 259 57 35 ASP H H 9.052 . . 260 57 35 ASP HA H 4.85 . . 261 57 35 ASP HB2 H 2.35 . . 262 57 35 ASP HB3 H 2.14 . . 263 57 35 ASP CA C 52.079 . . 264 57 35 ASP CB C 41.904 . . 265 57 35 ASP N N 125.115 . . 266 58 36 PRO HA H 4.220 . . 267 58 36 PRO HB2 H 1.909 . . 268 58 36 PRO C C 177.821 . . 269 58 36 PRO CA C 65.684 . . 270 58 36 PRO CB C 31.987 . . 271 59 37 GLU H H 8.745 . . 272 59 37 GLU HA H 4.186 . . 273 59 37 GLU HB2 H 2.129 . . 274 59 37 GLU HB3 H 2.036 . . 275 59 37 GLU HG2 H 2.313 . . 276 59 37 GLU C C 177.245 . . 277 59 37 GLU CA C 57.241 . . 278 59 37 GLU CB C 29.846 . . 279 59 37 GLU CG C 37.264 . . 280 59 37 GLU N N 115.083 . . 281 60 38 GLY H H 8.128 . . 282 60 38 GLY HA2 H 4.40 . . 283 60 38 GLY HA3 H 3.57 . . 284 60 38 GLY C C 176.181 . . 285 60 38 GLY CA C 45.543 . . 286 60 38 GLY N N 106.213 . . 287 61 39 HIS H H 7.518 . . 288 61 39 HIS HA H 4.74 . . 289 61 39 HIS HB2 H 3.425 . . 290 61 39 HIS HB3 H 3.14 . . 291 61 39 HIS HD2 H 7.05 . . 292 61 39 HIS C C 173.292 . . 293 61 39 HIS CA C 56.195 . . 294 61 39 HIS CB C 30.491 . . 295 61 39 HIS N N 121.201 . . 296 62 40 GLY H H 8.568 . . 297 62 40 GLY HA2 H 4.692 . . 298 62 40 GLY HA3 H 2.708 . . 299 62 40 GLY C C 171.820 . . 300 62 40 GLY CA C 45.833 . . 301 62 40 GLY N N 108.190 . . 302 63 41 THR H H 7.585 . . 303 63 41 THR HA H 5.372 . . 304 63 41 THR HB H 3.420 . . 305 63 41 THR HG2 H 0.887 . . 306 63 41 THR C C 174.273 . . 307 63 41 THR CA C 60.465 . . 308 63 41 THR CB C 72.356 . . 309 63 41 THR CG2 C 22.15 . . 310 63 41 THR N N 113.619 . . 311 64 42 VAL H H 8.594 . . 312 64 42 VAL C C 175.834 . . 313 64 42 VAL CA C 63.278 . . 314 64 42 VAL CB C 30.604 . . 315 64 42 VAL N N 126.787 . . 316 65 43 VAL H H 8.351 . . 317 65 43 VAL HA H 4.577 . . 318 65 43 VAL HB H 2.416 . . 319 65 43 VAL HG1 H 0.78 . . 320 65 43 VAL HG2 H 0.74 . . 321 65 43 VAL C C 175.360 . . 322 65 43 VAL CA C 61.256 . . 323 65 43 VAL CB C 32.532 . . 324 65 43 VAL CG1 C 21.9 . . 325 65 43 VAL CG2 C 19.00 . . 326 65 43 VAL N N 122.033 . . 327 66 44 ALA H H 7.650 . . 328 66 44 ALA HA H 4.570 . . 329 66 44 ALA HB H 1.264 . . 330 66 44 ALA C C 175.019 . . 331 66 44 ALA CA C 52.030 . . 332 66 44 ALA CB C 22.078 . . 333 66 44 ALA N N 121.958 . . 334 67 45 GLU H H 9.410 . . 335 67 45 GLU HA H 3.875 . . 336 67 45 GLU C C 172.842 . . 337 67 45 GLU CA C 55.961 . . 338 67 45 GLU CB C 36.522 . . 339 67 45 GLU N N 123.801 . . 340 68 46 ALA H H 9.350 . . 341 68 46 ALA HA H 4.886 . . 342 68 46 ALA HB H 1.264 . . 343 68 46 ALA C C 175.801 . . 344 68 46 ALA CA C 50.881 . . 345 68 46 ALA CB C 22.412 . . 346 68 46 ALA N N 128.998 . . 347 69 47 ARG H H 9.046 . . 348 69 47 ARG HA H 5.36 . . 349 69 47 ARG HB2 H 2.14 . . 350 69 47 ARG HB3 H 1.91 . . 351 69 47 ARG HG2 H 1.89 . . 352 69 47 ARG HD2 H 3.31 . . 353 69 47 ARG C C 176.317 . . 354 69 47 ARG CA C 54.700 . . 355 69 47 ARG CB C 35.2 . . 356 69 47 ARG CD C 43.8 . . 357 69 47 ARG N N 120.897 . . 358 70 48 GLY H H 8.577 . . 359 70 48 GLY HA2 H 4.352 . . 360 70 48 GLY C C 173.656 . . 361 70 48 GLY CA C 45.044 . . 362 70 48 GLY N N 109.508 . . 363 71 49 GLY H H 7.889 . . 364 71 49 GLY CA C 45.13 . . 365 71 49 GLY N N 110.267 . . 366 72 50 GLU HA H 4.588 . . 367 72 50 GLU HB2 H 2.951 . . 368 72 50 GLU HB3 H 2.272 . . 369 72 50 GLU HG2 H 2.106 . . 370 72 50 GLU HG3 H 2.969 . . 371 72 50 GLU C C 176.927 . . 372 72 50 GLU CA C 55.139 . . 373 72 50 GLU CB C 30.082 . . 374 72 50 GLU CG C 35.753 . . 375 73 51 ARG H H 8.056 . . 376 73 51 ARG HA H 4.238 . . 377 73 51 ARG HB2 H 1.880 . . 378 73 51 ARG HB3 H 1.726 . . 379 73 51 ARG HG2 H 1.549 . . 380 73 51 ARG HD2 H 3.157 . . 381 73 51 ARG C C 176.801 . . 382 73 51 ARG CA C 60.223 . . 383 73 51 ARG CB C 30.546 . . 384 73 51 ARG CG C 27.08 . . 385 73 51 ARG CD C 43.767 . . 386 73 51 ARG N N 120.661 . . 387 74 52 LEU H H 8.038 . . 388 74 52 LEU CA C 50.647 . . 389 74 52 LEU CB C 43.673 . . 390 74 52 LEU N N 115.178 . . 391 75 53 PRO HA H 4.450 . . 392 75 53 PRO C C 175.476 . . 393 75 53 PRO CA C 61.995 . . 394 75 53 PRO CB C 32.943 . . 395 75 53 PRO CG C 27.151 . . 396 76 54 SER H H 8.676 . . 397 76 54 SER C C 176.742 . . 398 76 54 SER CA C 57.063 . . 399 76 54 SER CB C 64.063 . . 400 76 54 SER N N 112.225 . . 401 77 55 LEU H H 11.568 . . 402 77 55 LEU HA H 4.780 . . 403 77 55 LEU HB2 H 0.937 . . 404 77 55 LEU C C 176.208 . . 405 77 55 LEU CA C 53.012 . . 406 77 55 LEU CB C 43.258 . . 407 77 55 LEU CD1 C 25.967 . . 408 77 55 LEU N N 132.467 . . 409 78 56 LEU H H 7.525 . . 410 78 56 LEU HA H 3.567 . . 411 78 56 LEU HB2 H 1.68 . . 412 78 56 LEU HB3 H 1.29 . . 413 78 56 LEU HG H 1.48 . . 414 78 56 LEU HD1 H 0.934 . . 415 78 56 LEU HD2 H 0.725 . . 416 78 56 LEU C C 177.708 . . 417 78 56 LEU CA C 57.341 . . 418 78 56 LEU CB C 41.650 . . 419 78 56 LEU CG C 26.2 . . 420 78 56 LEU CD1 C 25.990 . . 421 78 56 LEU CD2 C 22.7 . . 422 78 56 LEU N N 121.087 . . 423 79 57 GLY H H 8.863 . . 424 79 57 GLY HA2 H 3.616 . . 425 79 57 GLY HA3 H 4.236 . . 426 79 57 GLY C C 173.992 . . 427 79 57 GLY CA C 45.039 . . 428 79 57 GLY N N 114.348 . . 429 80 58 LEU H H 8.154 . . 430 80 58 LEU HA H 4.37 . . 431 80 58 LEU HB2 H 2.01 . . 432 80 58 LEU HB3 H 1.16 . . 433 80 58 LEU HG H 1.44 . . 434 80 58 LEU HD1 H 0.94 . . 435 80 58 LEU HD2 H 0.78 . . 436 80 58 LEU C C 176.045 . . 437 80 58 LEU CA C 55.238 . . 438 80 58 LEU CB C 42.243 . . 439 80 58 LEU CG C 27.37 . . 440 80 58 LEU CD1 C 25.715 . . 441 80 58 LEU CD2 C 22.548 . . 442 80 58 LEU N N 121.504 . . 443 81 59 THR H H 7.965 . . 444 81 59 THR HA H 5.65 . . 445 81 59 THR HB H 3.776 . . 446 81 59 THR HG2 H 1.117 . . 447 81 59 THR C C 174.184 . . 448 81 59 THR CA C 60.441 . . 449 81 59 THR CB C 71.393 . . 450 81 59 THR CG2 C 21.605 . . 451 81 59 THR N N 115.963 . . 452 82 60 PHE H H 9.479 . . 453 82 60 PHE HD1 H 7.53 . . 454 82 60 PHE HE1 H 7.28 . . 455 82 60 PHE HZ H 7.22 . . 456 82 60 PHE CA C 55.279 . . 457 82 60 PHE CB C 39.237 . . 458 82 60 PHE CD1 C 132.7 . . 459 82 60 PHE CE1 C 130.8 . . 460 82 60 PHE N N 126.356 . . 461 84 61 ALA HA H 3.83 . . 462 84 61 ALA HB H 1.24 . . 463 84 61 ALA C C 180.663 . . 464 84 61 ALA CA C 54.748 . . 465 84 61 ALA CB C 18.430 . . 466 85 62 GLY H H 8.450 . . 467 85 62 GLY HA2 H 3.705 . . 468 85 62 GLY C C 173.497 . . 469 85 62 GLY CA C 45.975 . . 470 85 62 GLY N N 134.155 . . 471 86 63 ASP H H 7.353 . . 472 86 63 ASP HA H 4.055 . . 473 86 63 ASP HB2 H 2.70 . . 474 86 63 ASP HB3 H 2.575 . . 475 86 63 ASP C C 175.980 . . 476 86 63 ASP CA C 56.648 . . 477 86 63 ASP CB C 39.576 . . 478 86 63 ASP N N 120.142 . . 479 87 64 ILE H H 7.285 . . 480 87 64 ILE HA H 3.72 . . 481 87 64 ILE HB H 1.75 . . 482 87 64 ILE HG2 H 0.76 . . 483 87 64 ILE CA C 58.002 . . 484 87 64 ILE CB C 38.146 . . 485 87 64 ILE N N 114.934 . . 486 90 65 GLU HA H 3.907 . . 487 90 65 GLU HB2 H 1.837 . . 488 90 65 GLU HG2 H 2.341 . . 489 90 65 GLU HG3 H 2.221 . . 490 90 65 GLU C C 178.475 . . 491 90 65 GLU CA C 60.267 . . 492 90 65 GLU CB C 28.499 . . 493 90 65 GLU CG C 36.147 . . 494 91 66 ALA H H 6.907 . . 495 91 66 ALA HA H 3.902 . . 496 91 66 ALA HB H 1.122 . . 497 91 66 ALA C C 180.248 . . 498 91 66 ALA CA C 54.019 . . 499 91 66 ALA CB C 17.372 . . 500 91 66 ALA N N 119.987 . . 501 92 67 ARG H H 7.571 . . 502 92 67 ARG C C 177.723 . . 503 92 67 ARG CA C 60.818 . . 504 92 67 ARG CB C 29.593 . . 505 92 67 ARG N N 118.368 . . 506 93 68 ARG H H 8.610 . . 507 93 68 ARG HA H 3.902 . . 508 93 68 ARG HB2 H 1.823 . . 509 93 68 ARG HG2 H 1.666 . . 510 93 68 ARG HD2 H 3.187 . . 511 93 68 ARG C C 177.892 . . 512 93 68 ARG CA C 59.763 . . 513 93 68 ARG CB C 30.212 . . 514 93 68 ARG CG C 27.841 . . 515 93 68 ARG CD C 43.306 . . 516 93 68 ARG N N 119.538 . . 517 94 69 LEU H H 7.438 . . 518 94 69 LEU HA H 4.046 . . 519 94 69 LEU HB2 H 1.51 . . 520 94 69 LEU HB3 H 1.36 . . 521 94 69 LEU HD1 H 0.753 . . 522 94 69 LEU HD2 H 0.67 . . 523 94 69 LEU C C 180.697 . . 524 94 69 LEU CA C 57.805 . . 525 94 69 LEU CB C 41.436 . . 526 94 69 LEU CD1 C 24.2 . . 527 94 69 LEU CD2 C 24.75 . . 528 94 69 LEU N N 118.965 . . 529 95 70 PHE H H 7.709 . . 530 95 70 PHE HA H 4.45 . . 531 95 70 PHE HB2 H 3.33 . . 532 95 70 PHE HB3 H 3.07 . . 533 95 70 PHE HD1 H 7.43 . . 534 95 70 PHE HE1 H 7.22 . . 535 95 70 PHE C C 176.838 . . 536 95 70 PHE CA C 60.908 . . 537 95 70 PHE CB C 40.278 . . 538 95 70 PHE CD1 C 132.45 . . 539 95 70 PHE CE1 C 130.8 . . 540 95 70 PHE N N 116.956 . . 541 96 71 ARG H H 8.209 . . 542 96 71 ARG HA H 3.988 . . 543 96 71 ARG HB2 H 1.944 . . 544 96 71 ARG HB3 H 1.686 . . 545 96 71 ARG HD2 H 3.402 . . 546 96 71 ARG C C 177.304 . . 547 96 71 ARG CA C 59.685 . . 548 96 71 ARG CB C 31.851 . . 549 96 71 ARG CG C 28.457 . . 550 96 71 ARG CD C 43.550 . . 551 96 71 ARG N N 116.384 . . 552 97 72 LEU H H 8.775 . . 553 97 72 LEU HA H 4.42 . . 554 97 72 LEU HB2 H 1.800 . . 555 97 72 LEU HB3 H 1.51 . . 556 97 72 LEU HG H 1.74 . . 557 97 72 LEU HD1 H 0.89 . . 558 97 72 LEU C C 178.442 . . 559 97 72 LEU CA C 56.420 . . 560 97 72 LEU CB C 42.846 . . 561 97 72 LEU CG C 27.3 . . 562 97 72 LEU CD1 C 25.093 . . 563 97 72 LEU N N 115.154 . . 564 98 73 ALA H H 7.567 . . 565 98 73 ALA HA H 4.75 . . 566 98 73 ALA HB H 1.406 . . 567 98 73 ALA C C 175.228 . . 568 98 73 ALA CA C 51.267 . . 569 98 73 ALA CB C 21.405 . . 570 98 73 ALA N N 118.296 . . 571 99 74 GLN H H 7.700 . . 572 99 74 GLN HA H 4.366 . . 573 99 74 GLN HG2 H 2.589 . . 574 99 74 GLN HG3 H 2.316 . . 575 99 74 GLN HE21 H 7.42 . . 576 99 74 GLN HE22 H 6.85 . . 577 99 74 GLN C C 175.116 . . 578 99 74 GLN CA C 57.718 . . 579 99 74 GLN CB C 26.801 . . 580 99 74 GLN CG C 35.926 . . 581 99 74 GLN N N 114.199 . . 582 99 74 GLN NE2 N 111.7 . . 583 100 75 VAL H H 6.460 . . 584 100 75 VAL HA H 4.27 . . 585 100 75 VAL HB H 1.83 . . 586 100 75 VAL HG1 H 0.71 . . 587 100 75 VAL HG2 H 0.60 . . 588 100 75 VAL C C 173.294 . . 589 100 75 VAL CA C 61.684 . . 590 100 75 VAL CB C 32.238 . . 591 100 75 VAL CG1 C 23.0 . . 592 100 75 VAL CG2 C 20.1 . . 593 100 75 VAL N N 107.978 . . 594 101 76 ARG H H 8.414 . . 595 101 76 ARG HA H 5.334 . . 596 101 76 ARG C C 177.183 . . 597 101 76 ARG CA C 56.026 . . 598 101 76 ARG CB C 26.707 . . 599 101 76 ARG N N 116.572 . . 600 102 77 VAL H H 8.776 . . 601 102 77 VAL HA H 4.71 . . 602 102 77 VAL HB H 1.96 . . 603 102 77 VAL HG1 H 0.84 . . 604 102 77 VAL HG2 H 0.82 . . 605 102 77 VAL C C 175.819 . . 606 102 77 VAL CA C 61.739 . . 607 102 77 VAL CB C 34.848 . . 608 102 77 VAL CG1 C 21.7 . . 609 102 77 VAL N N 121.380 . . 610 103 78 ILE H H 9.291 . . 611 103 78 ILE HA H 5.380 . . 612 103 78 ILE HB H 1.78 . . 613 103 78 ILE HG12 H 1.51 . . 614 103 78 ILE HG13 H 0.77 . . 615 103 78 ILE HG2 H 1.05 . . 616 103 78 ILE HD1 H 0.94 . . 617 103 78 ILE C C 176.095 . . 618 103 78 ILE CA C 59.927 . . 619 103 78 ILE CB C 40.881 . . 620 103 78 ILE CG1 C 29.3 . . 621 103 78 ILE CG2 C 18.095 . . 622 103 78 ILE CD1 C 15.2 . . 623 103 78 ILE N N 131.190 . . 624 104 79 VAL H H 9.637 . . 625 104 79 VAL HA H 4.877 . . 626 104 79 VAL HB H 1.78 . . 627 104 79 VAL HG1 H 1.09 . . 628 104 79 VAL HG2 H 0.62 . . 629 104 79 VAL C C 175.065 . . 630 104 79 VAL CA C 61.418 . . 631 104 79 VAL CB C 34.870 . . 632 104 79 VAL CG1 C 23.3 . . 633 104 79 VAL CG2 C 21.4 . . 634 104 79 VAL N N 128.432 . . 635 105 80 ASP H H 8.545 . . 636 105 80 ASP HA H 4.950 . . 637 105 80 ASP HB2 H 3.03 . . 638 105 80 ASP HB3 H 2.51 . . 639 105 80 ASP C C 176.413 . . 640 105 80 ASP CA C 52.702 . . 641 105 80 ASP CB C 42.089 . . 642 105 80 ASP N N 128.919 . . 643 106 81 VAL H H 7.915 . . 644 106 81 VAL HA H 3.15 . . 645 106 81 VAL HB H 1.967 . . 646 106 81 VAL HG1 H 0.84 . . 647 106 81 VAL HG2 H 0.78 . . 648 106 81 VAL C C 177.274 . . 649 106 81 VAL CA C 67.173 . . 650 106 81 VAL CB C 32.694 . . 651 106 81 VAL CG1 C 21.4 . . 652 106 81 VAL CG2 C 23.6 . . 653 106 81 VAL N N 124.337 . . 654 107 82 GLU H H 8.533 . . 655 107 82 GLU HA H 4.010 . . 656 107 82 GLU HB2 H 2.043 . . 657 107 82 GLU HB3 H 2.297 . . 658 107 82 GLU HG2 H 2.297 . . 659 107 82 GLU HG3 H 2.221 . . 660 107 82 GLU C C 178.426 . . 661 107 82 GLU CA C 59.222 . . 662 107 82 GLU CB C 29.242 . . 663 107 82 GLU CG C 36.207 . . 664 107 82 GLU N N 120.478 . . 665 108 83 ALA H H 7.901 . . 666 108 83 ALA HA H 4.20 . . 667 108 83 ALA HB H 1.25 . . 668 108 83 ALA C C 176.434 . . 669 108 83 ALA CA C 51.866 . . 670 108 83 ALA CB C 18.750 . . 671 108 83 ALA N N 119.431 . . 672 109 84 GLN H H 7.873 . . 673 109 84 GLN HA H 3.381 . . 674 109 84 GLN HG2 H 2.264 . . 675 109 84 GLN C C 175.190 . . 676 109 84 GLN CA C 56.731 . . 677 109 84 GLN CB C 25.903 . . 678 109 84 GLN N N 115.320 . . 679 110 85 SER H H 8.164 . . 680 110 85 SER HA H 4.97 . . 681 110 85 SER HB2 H 3.51 . . 682 110 85 SER HB3 H 3.60 . . 683 110 85 SER C C 174.692 . . 684 110 85 SER CA C 56.908 . . 685 110 85 SER CB C 66.513 . . 686 110 85 SER N N 112.422 . . 687 111 86 ARG H H 9.133 . . 688 111 86 ARG HA H 5.404 . . 689 111 86 ARG C C 175.423 . . 690 111 86 ARG CA C 53.543 . . 691 111 86 ARG CB C 33.584 . . 692 111 86 ARG N N 126.065 . . 693 112 87 SER H H 9.625 . . 694 112 87 SER HA H 5.83 . . 695 112 87 SER HB2 H 3.94 . . 696 112 87 SER HB3 H 3.81 . . 697 112 87 SER C C 173.801 . . 698 112 87 SER CA C 57.026 . . 699 112 87 SER CB C 65.479 . . 700 112 87 SER N N 123.168 . . 701 113 88 ILE H H 8.596 . . 702 113 88 ILE HA H 5.81 . . 703 113 88 ILE HB H 1.65 . . 704 113 88 ILE HG12 H 1.47 . . 705 113 88 ILE HG13 H 1.22 . . 706 113 88 ILE HG2 H 0.82 . . 707 113 88 ILE HD1 H 0.67 . . 708 113 88 ILE C C 174.613 . . 709 113 88 ILE CA C 58.725 . . 710 113 88 ILE CB C 43.070 . . 711 113 88 ILE CG1 C 33.6 . . 712 113 88 ILE CG2 C 18.753 . . 713 113 88 ILE CD1 C 14.84 . . 714 113 88 ILE N N 117.091 . . 715 114 89 SER H H 7.889 . . 716 114 89 SER HA H 4.019 . . 717 114 89 SER C C 173.234 . . 718 114 89 SER CA C 57.378 . . 719 114 89 SER CB C 65.585 . . 720 114 89 SER N N 110.222 . . 721 115 90 GLN H H 8.966 . . 722 115 90 GLN CA C 54.067 . . 723 115 90 GLN CB C 30.620 . . 724 115 90 GLN N N 120.288 . . 725 119 91 TRP C C 176.238 . . 726 122 92 SER C C 179.005 . . 727 122 92 SER CA C 61.388 . . 728 123 93 ALA H H 7.990 . . 729 123 93 ALA HA H 4.261 . . 730 123 93 ALA HB H 1.326 . . 731 123 93 ALA C C 176.944 . . 732 123 93 ALA CA C 54.816 . . 733 123 93 ALA CB C 18.955 . . 734 123 93 ALA N N 119.257 . . 735 124 94 ARG H H 7.990 . . 736 124 94 ARG HA H 4.278 . . 737 124 94 ARG HB2 H 1.565 . . 738 124 94 ARG HB3 H 1.734 . . 739 124 94 ARG HG2 H 1.471 . . 740 124 94 ARG HD2 H 2.920 . . 741 124 94 ARG HD3 H 2.86 . . 742 124 94 ARG C C 176.296 . . 743 124 94 ARG CA C 55.812 . . 744 124 94 ARG CB C 31.270 . . 745 124 94 ARG CG C 27.098 . . 746 124 94 ARG CD C 43.2 . . 747 124 94 ARG N N 120.101 . . 748 125 95 VAL H H 7.948 . . 749 125 95 VAL CA C 60.043 . . 750 125 95 VAL CB C 32.616 . . 751 125 95 VAL N N 121.410 . . 752 129 96 GLU CA C 60.04 . . 753 129 96 GLU CB C 32.62 . . 754 130 97 PRO HA H 4.440 . . 755 130 97 PRO C C 177.063 . . 756 130 97 PRO CA C 62.417 . . 757 130 97 PRO CB C 32.278 . . 758 130 97 PRO CG C 27.544 . . 759 131 98 LEU H H 8.542 . . 760 131 98 LEU HA H 4.10 . . 761 131 98 LEU HB2 H 1.79 . . 762 131 98 LEU HG H 1.85 . . 763 131 98 LEU HD1 H 1.02 . . 764 131 98 LEU HD2 H 0.89 . . 765 131 98 LEU C C 177.152 . . 766 131 98 LEU CA C 57.239 . . 767 131 98 LEU CB C 41.153 . . 768 131 98 LEU CG C 27.3 . . 769 131 98 LEU CD1 C 25.364 . . 770 131 98 LEU CD2 C 22.599 . . 771 131 98 LEU N N 121.804 . . 772 132 99 GLN H H 7.574 . . 773 132 99 GLN HA H 5.54 . . 774 132 99 GLN HB2 H 1.96 . . 775 132 99 GLN HG2 H 2.29 . . 776 132 99 GLN HG3 H 2.27 . . 777 132 99 GLN HE21 H 7.45 . . 778 132 99 GLN HE22 H 6.81 . . 779 132 99 GLN C C 174.589 . . 780 132 99 GLN CA C 54.592 . . 781 132 99 GLN CB C 32.085 . . 782 132 99 GLN CG C 34.2 . . 783 132 99 GLN N N 115.305 . . 784 132 99 GLN NE2 N 111.42 . . 785 133 100 ARG H H 8.460 . . 786 133 100 ARG CA C 55.066 . . 787 133 100 ARG CB C 28.593 . . 788 133 100 ARG N N 119.661 . . 789 134 101 PRO HA H 5.098 . . 790 134 101 PRO HB2 H 2.57 . . 791 134 101 PRO HB3 H 1.78 . . 792 134 101 PRO HD2 H 4.59 . . 793 134 101 PRO C C 177.271 . . 794 134 101 PRO CA C 62.638 . . 795 134 101 PRO CB C 32.483 . . 796 134 101 PRO CG C 28.117 . . 797 134 101 PRO CD C 52.0 . . 798 135 102 VAL H H 7.658 . . 799 135 102 VAL HA H 3.89 . . 800 135 102 VAL HB H 1.33 . . 801 135 102 VAL HG1 H 1.047 . . 802 135 102 VAL HG2 H 0.977 . . 803 135 102 VAL C C 174.227 . . 804 135 102 VAL CA C 60.410 . . 805 135 102 VAL CB C 33.630 . . 806 135 102 VAL CG1 C 24.977 . . 807 135 102 VAL CG2 C 22.800 . . 808 135 102 VAL N N 124.938 . . 809 136 103 ASP H H 9.338 . . 810 136 103 ASP HA H 4.73 . . 811 136 103 ASP HB2 H 2.88 . . 812 136 103 ASP HB3 H 2.47 . . 813 136 103 ASP CA C 53.818 . . 814 136 103 ASP N N 128.979 . . 815 137 104 PRO HA H 4.112 . . 816 137 104 PRO HB2 H 2.42 . . 817 137 104 PRO HB3 H 1.98 . . 818 137 104 PRO HG2 H 2.12 . . 819 137 104 PRO HD2 H 4.02 . . 820 137 104 PRO HD3 H 3.70 . . 821 137 104 PRO C C 178.188 . . 822 137 104 PRO CA C 65.516 . . 823 137 104 PRO CB C 32.612 . . 824 137 104 PRO CG C 27.542 . . 825 137 104 PRO CD C 51.6 . . 826 138 105 CYC C C 177.356 . . 827 138 105 CYC CA C 58.566 . . 828 138 105 CYC CB C 35.352 . . 829 138 105 CYC H H 9.261 . . 830 138 105 CYC HA H 4.18 . . 831 138 105 CYC HB2 H 3.397 . . 832 138 105 CYC HB3 H 2.84 . . 833 138 105 CYC N N 117.937 . . 834 139 106 HIS H H 7.373 . . 835 139 106 HIS HA H 4.588 . . 836 139 106 HIS HB2 H 2.72 . . 837 139 106 HIS HB3 H 1.66 . . 838 139 106 HIS HD2 H 6.59 . . 839 139 106 HIS C C 176.287 . . 840 139 106 HIS CA C 57.093 . . 841 139 106 HIS CB C 32.5 . . 842 139 106 HIS CD2 C 119.0 . . 843 139 106 HIS N N 117.702 . . 844 140 107 VAL H H 7.414 . . 845 140 107 VAL HA H 3.140 . . 846 140 107 VAL HG1 H 0.804 . . 847 140 107 VAL C C 176.965 . . 848 140 107 VAL CA C 67.554 . . 849 140 107 VAL CB C 31.653 . . 850 140 107 VAL CG1 C 21.248 . . 851 140 107 VAL N N 118.374 . . 852 141 108 HIS H H 7.791 . . 853 141 108 HIS HB2 H 3.125 . . 854 141 108 HIS HD2 H 7.00 . . 855 141 108 HIS HE1 H 6.97 . . 856 141 108 HIS C C 177.711 . . 857 141 108 HIS CA C 60.097 . . 858 141 108 HIS CB C 30.256 . . 859 141 108 HIS N N 117.380 . . 860 142 109 TYR H H 8.120 . . 861 142 109 TYR HA H 3.936 . . 862 142 109 TYR HB2 H 3.31 . . 863 142 109 TYR HB3 H 3.16 . . 864 142 109 TYR HD1 H 6.82 . . 865 142 109 TYR HE1 H 6.53 . . 866 142 109 TYR C C 178.204 . . 867 142 109 TYR CA C 61.511 . . 868 142 109 TYR CB C 39.487 . . 869 142 109 TYR CD1 C 133.6 . . 870 142 109 TYR CE1 C 119.7 . . 871 142 109 TYR N N 122.628 . . 872 143 110 LEU H H 7.771 . . 873 143 110 LEU HA H 3.735 . . 874 143 110 LEU HB2 H 1.46 . . 875 143 110 LEU HB3 H 0.84 . . 876 143 110 LEU HG H 1.12 . . 877 143 110 LEU HD1 H 0.23 . . 878 143 110 LEU HD2 H 0.43 . . 879 143 110 LEU C C 179.636 . . 880 143 110 LEU CA C 57.304 . . 881 143 110 LEU CB C 41.634 . . 882 143 110 LEU CG C 26.8 . . 883 143 110 LEU CD1 C 26.1 . . 884 143 110 LEU CD2 C 20.8 . . 885 143 110 LEU N N 118.050 . . 886 144 111 LYS H H 8.665 . . 887 144 111 LYS HA H 3.903 . . 888 144 111 LYS HB2 H 1.718 . . 889 144 111 LYS HG2 H 1.283 . . 890 144 111 LYS HG3 H 1.43 . . 891 144 111 LYS HD2 H 1.523 . . 892 144 111 LYS HE2 H 2.795 . . 893 144 111 LYS C C 181.884 . . 894 144 111 LYS CA C 60.195 . . 895 144 111 LYS CB C 32.310 . . 896 144 111 LYS CG C 25.534 . . 897 144 111 LYS CD C 29.372 . . 898 144 111 LYS N N 121.247 . . 899 145 112 SER H H 8.447 . . 900 145 112 SER HA H 4.070 . . 901 145 112 SER HB2 H 3.80 . . 902 145 112 SER HB3 H 3.68 . . 903 145 112 SER C C 174.977 . . 904 145 112 SER CA C 61.6 . . 905 145 112 SER CB C 62.6 . . 906 145 112 SER N N 116.491 . . 907 146 113 MET H H 7.037 . . 908 146 113 MET HA H 4.20 . . 909 146 113 MET HB2 H 1.98 . . 910 146 113 MET HG2 H 2.41 . . 911 146 113 MET HG3 H 2.242 . . 912 146 113 MET C C 176.478 . . 913 146 113 MET CA C 56.637 . . 914 146 113 MET CB C 34.907 . . 915 146 113 MET CG C 32.860 . . 916 146 113 MET N N 118.550 . . 917 147 114 GLY H H 7.979 . . 918 147 114 GLY HA2 H 3.672 . . 919 147 114 GLY HA3 H 4.008 . . 920 147 114 GLY C C 173.482 . . 921 147 114 GLY CA C 45.328 . . 922 147 114 GLY N N 108.910 . . 923 148 115 VAL H H 7.436 . . 924 148 115 VAL HA H 3.38 . . 925 148 115 VAL HB H 1.52 . . 926 148 115 VAL HG1 H 0.38 . . 927 148 115 VAL C C 174.128 . . 928 148 115 VAL CA C 62.958 . . 929 148 115 VAL CB C 32.926 . . 930 148 115 VAL CG1 C 23.0 . . 931 148 115 VAL N N 119.776 . . 932 149 116 ALA H H 8.560 . . 933 149 116 ALA HA H 4.47 . . 934 149 116 ALA HB H 1.008 . . 935 149 116 ALA C C 177.603 . . 936 149 116 ALA CA C 51.670 . . 937 149 116 ALA CB C 20.424 . . 938 149 116 ALA N N 126.401 . . 939 150 117 SER H H 7.770 . . 940 150 117 SER HA H 5.29 . . 941 150 117 SER HB2 H 4.06 . . 942 150 117 SER HB3 H 3.77 . . 943 150 117 SER C C 173.163 . . 944 150 117 SER CA C 56.097 . . 945 150 117 SER CB C 64.731 . . 946 150 117 SER N N 114.567 . . 947 151 118 SER H H 8.658 . . 948 151 118 SER HA H 5.68 . . 949 151 118 SER HB2 H 3.76 . . 950 151 118 SER HB3 H 3.28 . . 951 151 118 SER C C 171.263 . . 952 151 118 SER CA C 56.3 . . 953 151 118 SER CB C 65.589 . . 954 151 118 SER N N 122.341 . . 955 152 119 LEU H H 9.057 . . 956 152 119 LEU HA H 5.27 . . 957 152 119 LEU HB2 H 1.53 . . 958 152 119 LEU HB3 H 1.02 . . 959 152 119 LEU HG H 1.14 . . 960 152 119 LEU HD1 H 0.30 . . 961 152 119 LEU HD2 H 0.39 . . 962 152 119 LEU C C 174.384 . . 963 152 119 LEU CA C 54.042 . . 964 152 119 LEU CB C 43.879 . . 965 152 119 LEU CG C 28.0 . . 966 152 119 LEU CD1 C 25.1 . . 967 152 119 LEU CD2 C 23.43 . . 968 152 119 LEU N N 131.142 . . 969 153 120 VAL H H 8.747 . . 970 153 120 VAL HA H 5.068 . . 971 153 120 VAL HB H 2.06 . . 972 153 120 VAL HG1 H 0.90 . . 973 153 120 VAL HG2 H 1.30 . . 974 153 120 VAL C C 173.936 . . 975 153 120 VAL CA C 61.036 . . 976 153 120 VAL CB C 35.516 . . 977 153 120 VAL CG1 C 26.184 . . 978 153 120 VAL CG2 C 23.1 . . 979 153 120 VAL N N 125.053 . . 980 154 121 VAL H H 8.985 . . 981 154 121 VAL HA H 4.74 . . 982 154 121 VAL HB H 1.88 . . 983 154 121 VAL HG1 H 0.93 . . 984 154 121 VAL HG2 H 0.74 . . 985 154 121 VAL CA C 58.294 . . 986 154 121 VAL CB C 36.152 . . 987 154 121 VAL CG1 C 20.0 . . 988 154 121 VAL CG2 C 20.5 . . 989 154 121 VAL N N 126.490 . . 990 155 122 PRO HA H 4.408 . . 991 155 122 PRO HB2 H 1.863 . . 992 155 122 PRO C C 173.808 . . 993 155 122 PRO CA C 63.223 . . 994 155 122 PRO CB C 32.722 . . 995 155 122 PRO CG C 27.230 . . 996 156 123 LEU H H 8.324 . . 997 156 123 LEU HA H 4.676 . . 998 156 123 LEU HD1 H 0.823 . . 999 156 123 LEU C C 175.314 . . 1000 156 123 LEU CA C 52.768 . . 1001 156 123 LEU CB C 43.432 . . 1002 156 123 LEU CD1 C 23.035 . . 1003 156 123 LEU N N 119.029 . . 1004 157 124 MET H H 8.609 . . 1005 157 124 MET C C 175.711 . . 1006 157 124 MET CA C 52.590 . . 1007 157 124 MET CB C 31.975 . . 1008 157 124 MET N N 121.890 . . 1009 158 125 HIS H H 9.039 . . 1010 158 125 HIS HD2 H 7.29 . . 1011 158 125 HIS HE1 H 7.28 . . 1012 158 125 HIS CA C 52.908 . . 1013 158 125 HIS CB C 31.930 . . 1014 158 125 HIS N N 119.531 . . 1015 159 126 HIS C C 179.872 . . 1016 160 127 GLN HA H 4.395 . . 1017 160 127 GLN HB2 H 2.330 . . 1018 160 127 GLN HE21 H 7.59 . . 1019 160 127 GLN HE22 H 6.88 . . 1020 160 127 GLN C C 175.439 . . 1021 160 127 GLN CA C 56.540 . . 1022 160 127 GLN CB C 28.662 . . 1023 160 127 GLN CG C 34.840 . . 1024 160 127 GLN NE2 N 112.6 . . 1025 161 128 GLU H H 8.289 . . 1026 161 128 GLU HA H 4.451 . . 1027 161 128 GLU HB2 H 2.115 . . 1028 161 128 GLU HG2 H 2.366 . . 1029 161 128 GLU HG3 H 2.285 . . 1030 161 128 GLU C C 175.329 . . 1031 161 128 GLU CA C 54.708 . . 1032 161 128 GLU CB C 31.318 . . 1033 161 128 GLU CG C 36.123 . . 1034 161 128 GLU N N 119.617 . . 1035 162 129 LEU H H 8.900 . . 1036 162 129 LEU HA H 4.832 . . 1037 162 129 LEU C C 174.234 . . 1038 162 129 LEU CA C 54.572 . . 1039 162 129 LEU CB C 42.786 . . 1040 162 129 LEU N N 124.672 . . 1041 163 130 TRP H H 9.180 . . 1042 163 130 TRP HA H 4.526 . . 1043 163 130 TRP HB2 H 3.121 . . 1044 163 130 TRP HD1 H 7.22 . . 1045 163 130 TRP HE1 H 10.37 . . 1046 163 130 TRP HE3 H 7.55 . . 1047 163 130 TRP HZ2 H 7.43 . . 1048 163 130 TRP HZ3 H 7.17 . . 1049 163 130 TRP HH2 H 7.09 . . 1050 163 130 TRP C C 177.781 . . 1051 163 130 TRP CA C 60.172 . . 1052 163 130 TRP CB C 31.918 . . 1053 163 130 TRP CD1 C 127.09 . . 1054 163 130 TRP CE3 C 120.84 . . 1055 163 130 TRP CZ2 C 114.59 . . 1056 163 130 TRP CZ3 C 124.65 . . 1057 163 130 TRP CH2 C 121.95 . . 1058 163 130 TRP N N 132.733 . . 1059 163 130 TRP NE1 N 131.38 . . 1060 164 131 GLY H H 8.698 . . 1061 164 131 GLY HA2 H 4.40 . . 1062 164 131 GLY HA3 H 4.16 . . 1063 164 131 GLY C C 170.527 . . 1064 164 131 GLY CA C 47.380 . . 1065 164 131 GLY N N 104.544 . . 1066 165 132 LEU H H 9.584 . . 1067 165 132 LEU HA H 4.891 . . 1068 165 132 LEU C C 174.098 . . 1069 165 132 LEU CA C 53.431 . . 1070 165 132 LEU CB C 46.553 . . 1071 165 132 LEU CG C 26.241 . . 1072 165 132 LEU N N 117.358 . . 1073 166 133 LEU H H 9.580 . . 1074 166 133 LEU HA H 5.04 . . 1075 166 133 LEU HB2 H 1.89 . . 1076 166 133 LEU HB3 H 1.15 . . 1077 166 133 LEU HG H 1.36 . . 1078 166 133 LEU HD1 H 0.68 . . 1079 166 133 LEU HD2 H 0.70 . . 1080 166 133 LEU C C 172.103 . . 1081 166 133 LEU CA C 54.073 . . 1082 166 133 LEU CB C 44.154 . . 1083 166 133 LEU CG C 27.8 . . 1084 166 133 LEU CD1 C 25.9 . . 1085 166 133 LEU CD2 C 24.1 . . 1086 166 133 LEU N N 126.488 . . 1087 167 134 VAL H H 9.118 . . 1088 167 134 VAL HA H 4.99 . . 1089 167 134 VAL HB H 1.56 . . 1090 167 134 VAL HG1 H 0.56 . . 1091 167 134 VAL HG2 H 0.48 . . 1092 167 134 VAL C C 175.183 . . 1093 167 134 VAL CA C 60.885 . . 1094 167 134 VAL CB C 36.002 . . 1095 167 134 VAL CG1 C 20.1 . . 1096 167 134 VAL CG2 C 20.5 . . 1097 167 134 VAL N N 126.011 . . 1098 168 135 SER H H 9.632 . . 1099 168 135 SER HA H 5.42 . . 1100 168 135 SER HB2 H 3.98 . . 1101 168 135 SER HB3 H 3.31 . . 1102 168 135 SER C C 174.618 . . 1103 168 135 SER CA C 56.013 . . 1104 168 135 SER CB C 64.2 . . 1105 168 135 SER N N 120.154 . . 1106 169 136 HIS H H 10.172 . . 1107 169 136 HIS HA H 5.95 . . 1108 169 136 HIS HB2 H 3.08 . . 1109 169 136 HIS HB3 H 3.00 . . 1110 169 136 HIS HD2 H 7.34 . . 1111 169 136 HIS HE1 H 7.28 . . 1112 169 136 HIS HE2 H 10.07 . . 1113 169 136 HIS C C 173.171 . . 1114 169 136 HIS CA C 52.529 . . 1115 169 136 HIS CB C 38.030 . . 1116 169 136 HIS CD2 C 131.19 . . 1117 169 136 HIS N N 131.426 . . 1118 170 137 HIS H H 8.766 . . 1119 170 137 HIS HA H 5.56 . . 1120 170 137 HIS HB2 H 3.61 . . 1121 170 137 HIS HB3 H 2.95 . . 1122 170 137 HIS C C 176.203 . . 1123 170 137 HIS CA C 55.470 . . 1124 170 137 HIS CB C 36.954 . . 1125 170 137 HIS N N 119.877 . . 1126 171 138 ALA H H 9.619 . . 1127 171 138 ALA HA H 4.53 . . 1128 171 138 ALA HB H 1.317 . . 1129 171 138 ALA C C 174.639 . . 1130 171 138 ALA CA C 53.693 . . 1131 171 138 ALA CB C 19.394 . . 1132 171 138 ALA N N 129.645 . . 1133 172 139 GLU H H 6.937 . . 1134 172 139 GLU CA C 53.230 . . 1135 172 139 GLU CB C 31.705 . . 1136 172 139 GLU N N 115.955 . . 1137 175 140 PRO C C 176.114 . . 1138 175 140 PRO CA C 62.117 . . 1139 175 140 PRO CB C 32.280 . . 1140 176 141 TYR H H 8.748 . . 1141 176 141 TYR HA H 4.694 . . 1142 176 141 TYR HB2 H 2.72 . . 1143 176 141 TYR HB3 H 2.65 . . 1144 176 141 TYR HD1 H 6.94 . . 1145 176 141 TYR HE1 H 6.52 . . 1146 176 141 TYR C C 175.825 . . 1147 176 141 TYR CA C 57.572 . . 1148 176 141 TYR CB C 41.27 . . 1149 176 141 TYR CD1 C 133.2 . . 1150 176 141 TYR CE1 C 118.0 . . 1151 176 141 TYR N N 118.810 . . 1152 177 142 SER H H 9.176 . . 1153 177 142 SER CA C 56.158 . . 1154 177 142 SER CB C 65.972 . . 1155 177 142 SER N N 120.202 . . 1156 178 143 GLN C C 178.823 . . 1157 178 143 GLN CA C 60.029 . . 1158 178 143 GLN CB C 29.416 . . 1159 179 144 GLU H H 8.003 . . 1160 179 144 GLU CA C 59.878 . . 1161 179 144 GLU CB C 30.192 . . 1162 179 144 GLU N N 118.920 . . 1163 182 145 GLN C C 180.324 . . 1164 182 145 GLN CA C 58.966 . . 1165 182 145 GLN CB C 29.309 . . 1166 183 146 VAL H H 8.837 . . 1167 183 146 VAL HA H 3.544 . . 1168 183 146 VAL HG1 H 1.066 . . 1169 183 146 VAL C C 177.165 . . 1170 183 146 VAL CA C 67.340 . . 1171 183 146 VAL CB C 31.625 . . 1172 183 146 VAL N N 119.232 . . 1173 184 147 VAL H H 8.409 . . 1174 184 147 VAL CA C 61.341 . . 1175 184 147 VAL CB C 28.751 . . 1176 184 147 VAL N N 120.147 . . 1177 186 148 LEU HA H 4.191 . . 1178 186 148 LEU C C 180.853 . . 1179 186 148 LEU CA C 58.152 . . 1180 186 148 LEU CB C 41.715 . . 1181 186 148 LEU CD1 C 25.795 . . 1182 187 149 LEU H H 7.939 . . 1183 187 149 LEU HA H 3.98 . . 1184 187 149 LEU HB2 H 1.83 . . 1185 187 149 LEU HB3 H 1.22 . . 1186 187 149 LEU HG H 1.71 . . 1187 187 149 LEU HD1 H 0.65 . . 1188 187 149 LEU HD2 H 0.72 . . 1189 187 149 LEU C C 178.745 . . 1190 187 149 LEU CA C 58.116 . . 1191 187 149 LEU CB C 41.002 . . 1192 187 149 LEU CG C 27.0 . . 1193 187 149 LEU CD1 C 25.3 . . 1194 187 149 LEU CD2 C 23.7 . . 1195 187 149 LEU N N 119.902 . . 1196 188 150 ALA H H 8.777 . . 1197 188 150 ALA HA H 3.69 . . 1198 188 150 ALA HB H 1.40 . . 1199 188 150 ALA C C 179.733 . . 1200 188 150 ALA CA C 55.766 . . 1201 188 150 ALA CB C 17.727 . . 1202 188 150 ALA N N 124.067 . . 1203 189 151 ASP H H 8.889 . . 1204 189 151 ASP HA H 4.32 . . 1205 189 151 ASP HB2 H 2.98 . . 1206 189 151 ASP HB3 H 2.66 . . 1207 189 151 ASP C C 179.743 . . 1208 189 151 ASP CA C 57.377 . . 1209 189 151 ASP CB C 39.810 . . 1210 189 151 ASP N N 119.061 . . 1211 190 152 GLN H H 7.576 . . 1212 190 152 GLN C C 178.667 . . 1213 190 152 GLN CA C 58.050 . . 1214 190 152 GLN CB C 27.939 . . 1215 190 152 GLN N N 118.340 . . 1216 191 153 VAL H H 8.290 . . 1217 191 153 VAL HA H 3.29 . . 1218 191 153 VAL HB H 2.18 . . 1219 191 153 VAL HG1 H 0.89 . . 1220 191 153 VAL HG2 H 0.61 . . 1221 191 153 VAL C C 177.167 . . 1222 191 153 VAL CA C 67.008 . . 1223 191 153 VAL CB C 30.358 . . 1224 191 153 VAL CG1 C 24.6 . . 1225 191 153 VAL CG2 C 22.6 . . 1226 191 153 VAL N N 121.704 . . 1227 192 154 SER H H 8.341 . . 1228 192 154 SER C C 177.103 . . 1229 192 154 SER CA C 62.670 . . 1230 192 154 SER CB C 62.891 . . 1231 192 154 SER N N 115.695 . . 1232 193 155 ILE H H 7.450 . . 1233 193 155 ILE HA H 3.673 . . 1234 193 155 ILE HB H 1.95 . . 1235 193 155 ILE HG12 H 1.73 . . 1236 193 155 ILE HG13 H 1.06 . . 1237 193 155 ILE HG2 H 0.85 . . 1238 193 155 ILE HD1 H 0.82 . . 1239 193 155 ILE C C 178.014 . . 1240 193 155 ILE CA C 65.094 . . 1241 193 155 ILE CB C 38.141 . . 1242 193 155 ILE CG1 C 29.4 . . 1243 193 155 ILE CG2 C 17.207 . . 1244 193 155 ILE CD1 C 13.17 . . 1245 193 155 ILE N N 122.736 . . 1246 194 156 ALA H H 7.791 . . 1247 194 156 ALA HA H 3.96 . . 1248 194 156 ALA HB H 1.41 . . 1249 194 156 ALA C C 180.381 . . 1250 194 156 ALA CA C 55.044 . . 1251 194 156 ALA CB C 18.360 . . 1252 194 156 ALA N N 123.462 . . 1253 195 157 ILE H H 8.636 . . 1254 195 157 ILE HA H 3.07 . . 1255 195 157 ILE HB H 1.39 . . 1256 195 157 ILE HG12 H 1.15 . . 1257 195 157 ILE HG13 H -0.48 . . 1258 195 157 ILE HG2 H -0.28 . . 1259 195 157 ILE HD1 H -0.48 . . 1260 195 157 ILE C C 177.629 . . 1261 195 157 ILE CA C 65.53 . . 1262 195 157 ILE CB C 37.874 . . 1263 195 157 ILE CG1 C 29.3 . . 1264 195 157 ILE CG2 C 15.9 . . 1265 195 157 ILE CD1 C 13.7 . . 1266 195 157 ILE N N 120.302 . . 1267 196 158 ALA H H 7.346 . . 1268 196 158 ALA HA H 3.865 . . 1269 196 158 ALA HB H 1.42 . . 1270 196 158 ALA C C 180.451 . . 1271 196 158 ALA CA C 54.611 . . 1272 196 158 ALA CB C 17.878 . . 1273 196 158 ALA N N 120.110 . . 1274 197 159 GLN H H 8.098 . . 1275 197 159 GLN HA H 4.082 . . 1276 197 159 GLN HB2 H 2.096 . . 1277 197 159 GLN HG2 H 2.443 . . 1278 197 159 GLN HE21 H 6.92 . . 1279 197 159 GLN HE22 H 7.69 . . 1280 197 159 GLN C C 178.018 . . 1281 197 159 GLN CA C 57.945 . . 1282 197 159 GLN CB C 28.715 . . 1283 197 159 GLN CG C 34.147 . . 1284 197 159 GLN N N 116.894 . . 1285 197 159 GLN NE2 N 112.67 . . 1286 198 160 ALA H H 8.106 . . 1287 198 160 ALA HA H 4.19 . . 1288 198 160 ALA HB H 1.486 . . 1289 198 160 ALA C C 179.652 . . 1290 198 160 ALA CA C 54.389 . . 1291 198 160 ALA CB C 19.042 . . 1292 198 160 ALA N N 122.979 . . 1293 199 161 GLU H H 7.941 . . 1294 199 161 GLU HA H 4.184 . . 1295 199 161 GLU HB2 H 2.200 . . 1296 199 161 GLU HB3 H 1.939 . . 1297 199 161 GLU HG2 H 2.287 . . 1298 199 161 GLU HG3 H 2.130 . . 1299 199 161 GLU C C 177.836 . . 1300 199 161 GLU CA C 57.937 . . 1301 199 161 GLU CB C 29.871 . . 1302 199 161 GLU CG C 36.173 . . 1303 199 161 GLU N N 117.777 . . 1304 200 162 LEU H H 7.763 . . 1305 200 162 LEU HA H 4.28 . . 1306 200 162 LEU HB2 H 1.798 . . 1307 200 162 LEU HB3 H 1.654 . . 1308 200 162 LEU HD1 H 0.95 . . 1309 200 162 LEU HD2 H 0.91 . . 1310 200 162 LEU C C 178.382 . . 1311 200 162 LEU CA C 56.315 . . 1312 200 162 LEU CB C 42.194 . . 1313 200 162 LEU CD1 C 26.9 . . 1314 200 162 LEU CD2 C 25.0 . . 1315 200 162 LEU N N 120.195 . . 1316 201 163 SER H H 8.014 . . 1317 201 163 SER HA H 4.343 . . 1318 201 163 SER HB2 H 3.927 . . 1319 201 163 SER C C 175.038 . . 1320 201 163 SER CA C 59.410 . . 1321 201 163 SER CB C 63.518 . . 1322 201 163 SER N N 114.513 . . 1323 202 164 LEU H H 7.893 . . 1324 202 164 LEU CA C 55.87 . . 1325 202 164 LEU CB C 42.19 . . 1326 202 164 LEU N N 122.426 . . stop_ save_