data_18547 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12 ; _BMRB_accession_number 18547 _BMRB_flat_file_name bmr18547.str _Entry_type original _Submission_date 2012-06-22 _Accession_date 2012-06-22 _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 Ramelot Theresa A. . 2 Yang Yunhuang . . 3 Lee Hsiau-Wei . . 4 Pederson Kari . . 5 Lee Dan . . 6 Kohan Eitan . . 7 Janjua Haleema . . 8 Xiao Rong . . 9 Acton Thomas B. . 10 Everett John K. . 11 Wrobel Russel L. . 12 Bingman Craig A. . 13 Singh Shanteri . . 14 Thorson Jon S. . 15 Prestegard James H. . 16 Montelione Gaetano T. . 17 'Phillips Jr.' George N. . 18 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1064 "13C chemical shifts" 783 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-27 original author . stop_ _Original_release_date 2012-08-27 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Yang Yunhuang . . 3 Lee Hsiau-Wei . . 4 Pederson Kari . . 5 Lee Dan . . 6 Kohan Eitan . . 7 Janjua Haleema . . 8 Xiao Rong . . 9 Acton Thomas B. . 10 Everett John K. . 11 Wrobel Russel L. . 12 Bingman Craig A. . 13 Singh Shanteri . . 14 Thorson Jon S. . 15 Prestegard James H. . 16 Montelione Gaetano T. . 17 'Phillips Jr.' George N. . 18 Kennedy Michael A. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MiR12 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MiR12 $MiR12 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_MiR12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MiR12 _Molecular_mass 21347.8 _Mol_thiol_state 'all free' loop_ _Biological_function 'calicheamicin synthesis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; MGHHHHHHSHMASGQATERA LGRRTIPAGEARSIIIRQRY DAPVDEVWSACTDPNRINRW FIEPKGDLREGGNFALQGNA SGDILRCEPPRRLTISWVYE GKPDSEVELRLSEEGDGTLL ELEHATTSEQMLVEVGVGWE MALDFLGMFIRGDLPGGPVP EDAAEEFEPSPEMMRISQER GEAWAALVHSGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -10 MET 2 -9 GLY 3 -8 HIS 4 -7 HIS 5 -6 HIS 6 -5 HIS 7 -4 HIS 8 -3 HIS 9 -2 SER 10 -1 HIS 11 1 MET 12 2 ALA 13 3 SER 14 4 GLY 15 5 GLN 16 6 ALA 17 7 THR 18 8 GLU 19 9 ARG 20 10 ALA 21 11 LEU 22 12 GLY 23 13 ARG 24 14 ARG 25 15 THR 26 16 ILE 27 17 PRO 28 18 ALA 29 19 GLY 30 20 GLU 31 21 ALA 32 22 ARG 33 23 SER 34 24 ILE 35 25 ILE 36 26 ILE 37 27 ARG 38 28 GLN 39 29 ARG 40 30 TYR 41 31 ASP 42 32 ALA 43 33 PRO 44 34 VAL 45 35 ASP 46 36 GLU 47 37 VAL 48 38 TRP 49 39 SER 50 40 ALA 51 41 CYS 52 42 THR 53 43 ASP 54 44 PRO 55 45 ASN 56 46 ARG 57 47 ILE 58 48 ASN 59 49 ARG 60 50 TRP 61 51 PHE 62 52 ILE 63 53 GLU 64 54 PRO 65 55 LYS 66 56 GLY 67 57 ASP 68 58 LEU 69 59 ARG 70 60 GLU 71 61 GLY 72 62 GLY 73 63 ASN 74 64 PHE 75 65 ALA 76 66 LEU 77 67 GLN 78 68 GLY 79 69 ASN 80 70 ALA 81 71 SER 82 72 GLY 83 73 ASP 84 74 ILE 85 75 LEU 86 76 ARG 87 77 CYS 88 78 GLU 89 79 PRO 90 80 PRO 91 81 ARG 92 82 ARG 93 83 LEU 94 84 THR 95 85 ILE 96 86 SER 97 87 TRP 98 88 VAL 99 89 TYR 100 90 GLU 101 91 GLY 102 92 LYS 103 93 PRO 104 94 ASP 105 95 SER 106 96 GLU 107 97 VAL 108 98 GLU 109 99 LEU 110 100 ARG 111 101 LEU 112 102 SER 113 103 GLU 114 104 GLU 115 105 GLY 116 106 ASP 117 107 GLY 118 108 THR 119 109 LEU 120 110 LEU 121 111 GLU 122 112 LEU 123 113 GLU 124 114 HIS 125 115 ALA 126 116 THR 127 117 THR 128 118 SER 129 119 GLU 130 120 GLN 131 121 MET 132 122 LEU 133 123 VAL 134 124 GLU 135 125 VAL 136 126 GLY 137 127 VAL 138 128 GLY 139 129 TRP 140 130 GLU 141 131 MET 142 132 ALA 143 133 LEU 144 134 ASP 145 135 PHE 146 136 LEU 147 137 GLY 148 138 MET 149 139 PHE 150 140 ILE 151 141 ARG 152 142 GLY 153 143 ASP 154 144 LEU 155 145 PRO 156 146 GLY 157 147 GLY 158 148 PRO 159 149 VAL 160 150 PRO 161 151 GLU 162 152 ASP 163 153 ALA 164 154 ALA 165 155 GLU 166 156 GLU 167 157 PHE 168 158 GLU 169 159 PRO 170 160 SER 171 161 PRO 172 162 GLU 173 163 MET 174 164 MET 175 165 ARG 176 166 ILE 177 167 SER 178 168 GLN 179 169 GLU 180 170 ARG 181 171 GLY 182 172 GLU 183 173 ALA 184 174 TRP 185 175 ALA 186 176 ALA 187 177 LEU 188 178 VAL 189 179 HIS 190 180 SER 191 181 GLY 192 182 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LUZ "Solution Nmr Structure Of Calu16 From Micromonospora Echinospora, Northeast Structural Genomics Consortium (nesg) Target Mir12" 100.00 192 100.00 100.00 2.90e-136 PDB 4FPW "Crystal Structure Of Calu16 From Micromonospora Echinospora. Northeast Structural Genomics Consortium Target Mir12" 94.27 181 97.24 97.24 3.19e-121 GB AAM70339 "CalU16 [Micromonospora echinospora]" 94.79 182 100.00 100.00 2.62e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MiR12 'high GC Gram+' 1877 Bacteria . Micromonospora echinospora 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 $MiR12 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_mir12.006 _Saveframe_category sample _Sample_type solution _Details '0.89 mM mir12.006, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MiR12 0.9 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_mir12.006_d2o _Saveframe_category sample _Sample_type solution _Details '0.9 mM mir12.006, 100%' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MiR12 0.9 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 100 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ save_mir12.011 _Saveframe_category sample _Sample_type solution _Details '0.9 mM mir12.011, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MiR12 0.9 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_mir12.008_NC5 _Saveframe_category sample _Sample_type solution _Details '0.9 mM mir12.008, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MiR12 0.9 mM '[U-100% 15N], 5% 13C stereo' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version ASDP-1.0 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version '2008 linux9' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '2.1.4 and 3.1' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version '1.1 D' loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'PALES (Zweckstetter, Bax)' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_FMCGUI _Saveframe_category software _Name FMCGUI _Version . loop_ _Vendor _Address _Electronic_address 'Alex Lemak, Cheryl Arrowsmith, University of Toronto' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $mir12.006 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $mir12.006 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $mir12.006 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $mir12.006 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $mir12.006 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $mir12.006 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $mir12.006 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $mir12.006 save_ save_3D_(H)CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $mir12.006_d2o save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $mir12.008_NC5 save_ save_4D_CC-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _Sample_label $mir12.006_d2o save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $mir12.006 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $mir12.006 save_ save_3D_C(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $mir12.006 save_ save_3D_H(CCO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $mir12.006 save_ save_NUS_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'NUS 3D 1H-13C NOESY aliphatic' _Sample_label $mir12.011 save_ save_NUS_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'NUS 3D 1H-15N NOESY' _Sample_label $mir12.011 save_ save_3D_1H-15N_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $mir12.006 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $mir12.006 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MiR12 _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 1 11 MET HA H 4.38 0.02 1 2 1 11 MET HB2 H 2.02 0.02 2 3 1 11 MET HB3 H 1.90 0.02 2 4 1 11 MET HG2 H 2.44 0.02 2 5 1 11 MET HG3 H 2.44 0.02 2 6 1 11 MET HE H 2.01 0.02 1 7 1 11 MET C C 175.6 0.2 1 8 1 11 MET CA C 55.4 0.2 1 9 1 11 MET CB C 33.3 0.2 1 10 1 11 MET CG C 31.9 0.2 1 11 1 11 MET CE C 17.1 0.2 1 12 2 12 ALA H H 8.38 0.02 1 13 2 12 ALA HA H 4.30 0.02 1 14 2 12 ALA HB H 1.37 0.02 1 15 2 12 ALA C C 177.6 0.2 1 16 2 12 ALA CA C 52.6 0.2 1 17 2 12 ALA CB C 19.2 0.2 1 18 2 12 ALA N N 125.6 0.2 1 19 3 13 SER H H 8.25 0.02 1 20 3 13 SER HA H 4.39 0.02 1 21 3 13 SER HB2 H 3.84 0.02 2 22 3 13 SER HB3 H 3.84 0.02 2 23 3 13 SER C C 175.1 0.2 1 24 3 13 SER CA C 58.5 0.2 1 25 3 13 SER CB C 63.8 0.2 1 26 3 13 SER N N 115.0 0.2 1 27 4 14 GLY H H 8.39 0.02 1 28 4 14 GLY HA2 H 3.94 0.02 2 29 4 14 GLY HA3 H 3.94 0.02 2 30 4 14 GLY C C 174.0 0.2 1 31 4 14 GLY CA C 45.4 0.2 1 32 4 14 GLY N N 110.7 0.2 1 33 5 15 GLN H H 8.19 0.02 1 34 5 15 GLN HA H 4.31 0.02 1 35 5 15 GLN HB2 H 2.02 0.02 2 36 5 15 GLN HB3 H 1.90 0.02 2 37 5 15 GLN HG2 H 2.23 0.02 2 38 5 15 GLN HG3 H 2.23 0.02 2 39 5 15 GLN HE21 H 6.66 0.02 1 40 5 15 GLN HE22 H 7.37 0.02 1 41 5 15 GLN C C 175.5 0.2 1 42 5 15 GLN CA C 55.6 0.2 1 43 5 15 GLN CB C 29.7 0.2 1 44 5 15 GLN CG C 33.8 0.2 1 45 5 15 GLN CD C 180.1 0.2 1 46 5 15 GLN N N 120.1 0.2 1 47 5 15 GLN NE2 N 111.9 0.2 1 48 6 16 ALA H H 8.40 0.02 1 49 6 16 ALA HA H 4.36 0.02 1 50 6 16 ALA HB H 1.36 0.02 1 51 6 16 ALA C C 177.3 0.2 1 52 6 16 ALA CA C 52.3 0.2 1 53 6 16 ALA CB C 19.2 0.2 1 54 6 16 ALA N N 126.0 0.2 1 55 7 17 THR H H 8.18 0.02 1 56 7 17 THR HA H 4.37 0.02 1 57 7 17 THR HB H 3.85 0.02 1 58 7 17 THR HG2 H 1.13 0.02 1 59 7 17 THR C C 173.6 0.2 1 60 7 17 THR CA C 63.2 0.2 1 61 7 17 THR CB C 70.6 0.2 1 62 7 17 THR CG2 C 23.4 0.2 1 63 7 17 THR N N 119.2 0.2 1 64 8 18 GLU H H 8.81 0.02 1 65 8 18 GLU HA H 4.54 0.02 1 66 8 18 GLU HB2 H 2.04 0.02 2 67 8 18 GLU HB3 H 1.89 0.02 2 68 8 18 GLU HG2 H 2.29 0.02 2 69 8 18 GLU HG3 H 2.09 0.02 2 70 8 18 GLU C C 174.2 0.2 1 71 8 18 GLU CA C 55.1 0.2 1 72 8 18 GLU CB C 31.9 0.2 1 73 8 18 GLU CG C 36.2 0.2 1 74 8 18 GLU N N 127.5 0.2 1 75 9 19 ARG H H 8.07 0.02 1 76 9 19 ARG HA H 5.06 0.02 1 77 9 19 ARG HB2 H 0.96 0.02 2 78 9 19 ARG HB3 H 0.37 0.02 2 79 9 19 ARG HG2 H 1.14 0.02 2 80 9 19 ARG HG3 H 0.83 0.02 2 81 9 19 ARG HD2 H 2.18 0.02 2 82 9 19 ARG HD3 H 0.72 0.02 2 83 9 19 ARG HE H 8.91 0.02 1 84 9 19 ARG C C 175.0 0.2 1 85 9 19 ARG CA C 54.8 0.2 1 86 9 19 ARG CB C 31.6 0.2 1 87 9 19 ARG CG C 28.7 0.2 1 88 9 19 ARG CD C 41.3 0.2 1 89 9 19 ARG N N 122.1 0.2 1 90 9 19 ARG NE N 86.4 0.2 1 91 10 20 ALA H H 9.39 0.02 1 92 10 20 ALA HA H 4.64 0.02 1 93 10 20 ALA HB H 1.37 0.02 1 94 10 20 ALA C C 173.8 0.2 1 95 10 20 ALA CA C 51.1 0.2 1 96 10 20 ALA CB C 22.8 0.2 1 97 10 20 ALA N N 126.3 0.2 1 98 11 21 LEU H H 8.28 0.02 1 99 11 21 LEU HA H 5.79 0.02 1 100 11 21 LEU HB2 H 1.84 0.02 2 101 11 21 LEU HB3 H 1.75 0.02 2 102 11 21 LEU HG H 1.80 0.02 1 103 11 21 LEU HD1 H 0.98 0.02 1 104 11 21 LEU HD2 H 1.18 0.02 1 105 11 21 LEU C C 178.1 0.2 1 106 11 21 LEU CA C 53.1 0.2 1 107 11 21 LEU CB C 45.4 0.2 1 108 11 21 LEU CG C 27.6 0.2 1 109 11 21 LEU CD1 C 26.6 0.2 1 110 11 21 LEU CD2 C 24.5 0.2 1 111 11 21 LEU N N 117.5 0.2 1 112 12 22 GLY H H 8.83 0.02 1 113 12 22 GLY HA2 H 4.51 0.02 2 114 12 22 GLY HA3 H 3.61 0.02 2 115 12 22 GLY C C 174.8 0.2 1 116 12 22 GLY CA C 44.5 0.2 1 117 12 22 GLY N N 113.4 0.2 1 118 13 23 ARG H H 8.16 0.02 1 119 13 23 ARG HA H 5.04 0.02 1 120 13 23 ARG HB2 H 1.81 0.02 2 121 13 23 ARG HB3 H 1.73 0.02 2 122 13 23 ARG HG2 H 1.76 0.02 2 123 13 23 ARG HG3 H 1.59 0.02 2 124 13 23 ARG HD2 H 3.19 0.02 2 125 13 23 ARG HD3 H 3.13 0.02 2 126 13 23 ARG HE H 7.35 0.02 1 127 13 23 ARG C C 174.9 0.2 1 128 13 23 ARG CA C 55.8 0.2 1 129 13 23 ARG CB C 33.6 0.2 1 130 13 23 ARG CG C 27.5 0.2 1 131 13 23 ARG CD C 43.3 0.2 1 132 13 23 ARG N N 119.6 0.2 1 133 13 23 ARG NE N 84.7 0.2 1 134 14 24 ARG H H 8.78 0.02 1 135 14 24 ARG HA H 4.53 0.02 1 136 14 24 ARG HB2 H 1.66 0.02 2 137 14 24 ARG HB3 H 1.44 0.02 2 138 14 24 ARG HG2 H 1.40 0.02 2 139 14 24 ARG HG3 H 1.35 0.02 2 140 14 24 ARG HD2 H 2.90 0.02 2 141 14 24 ARG HD3 H 2.91 0.02 2 142 14 24 ARG HE H 7.36 0.02 1 143 14 24 ARG C C 174.0 0.2 1 144 14 24 ARG CA C 55.2 0.2 1 145 14 24 ARG CB C 34.7 0.2 1 146 14 24 ARG CG C 26.9 0.2 1 147 14 24 ARG CD C 43.4 0.2 1 148 14 24 ARG N N 121.9 0.2 1 149 14 24 ARG NE N 84.3 0.2 1 150 15 25 THR H H 8.80 0.02 1 151 15 25 THR HA H 4.42 0.02 1 152 15 25 THR HB H 3.93 0.02 1 153 15 25 THR HG2 H 1.11 0.02 1 154 15 25 THR C C 173.7 0.2 1 155 15 25 THR CA C 63.6 0.2 1 156 15 25 THR CB C 68.6 0.2 1 157 15 25 THR CG2 C 22.4 0.2 1 158 15 25 THR N N 121.7 0.2 1 159 16 26 ILE H H 8.42 0.02 1 160 16 26 ILE HA H 4.94 0.02 1 161 16 26 ILE HB H 2.26 0.02 1 162 16 26 ILE HG12 H 1.34 0.02 2 163 16 26 ILE HG13 H 1.34 0.02 2 164 16 26 ILE HG2 H 0.69 0.02 1 165 16 26 ILE HD1 H 0.89 0.02 1 166 16 26 ILE CA C 59.3 0.2 1 167 16 26 ILE CB C 38.2 0.2 1 168 16 26 ILE CG1 C 25.3 0.2 1 169 16 26 ILE CG2 C 18.5 0.2 1 170 16 26 ILE CD1 C 14.4 0.2 1 171 16 26 ILE N N 124.2 0.2 1 172 17 27 PRO HA H 4.18 0.02 1 173 17 27 PRO HB2 H 1.99 0.02 2 174 17 27 PRO HB3 H 2.38 0.02 2 175 17 27 PRO HG2 H 2.28 0.02 2 176 17 27 PRO HG3 H 2.28 0.02 2 177 17 27 PRO HD2 H 3.89 0.02 2 178 17 27 PRO HD3 H 3.76 0.02 2 179 17 27 PRO C C 178.1 0.2 1 180 17 27 PRO CA C 67.2 0.2 1 181 17 27 PRO CB C 30.7 0.2 1 182 17 27 PRO CG C 28.1 0.2 1 183 17 27 PRO CD C 50.9 0.2 1 184 18 28 ALA H H 8.06 0.02 1 185 18 28 ALA HA H 4.27 0.02 1 186 18 28 ALA HB H 1.48 0.02 1 187 18 28 ALA C C 177.0 0.2 1 188 18 28 ALA CA C 53.1 0.2 1 189 18 28 ALA CB C 19.5 0.2 1 190 18 28 ALA N N 114.8 0.2 1 191 19 29 GLY H H 8.14 0.02 1 192 19 29 GLY HA2 H 4.51 0.02 2 193 19 29 GLY HA3 H 3.79 0.02 2 194 19 29 GLY C C 171.9 0.2 1 195 19 29 GLY CA C 44.0 0.2 1 196 19 29 GLY N N 107.1 0.2 1 197 20 30 GLU H H 8.38 0.02 1 198 20 30 GLU HA H 4.32 0.02 1 199 20 30 GLU HB2 H 1.95 0.02 2 200 20 30 GLU HB3 H 1.95 0.02 2 201 20 30 GLU HG2 H 2.25 0.02 2 202 20 30 GLU HG3 H 2.25 0.02 2 203 20 30 GLU C C 175.6 0.2 1 204 20 30 GLU CA C 57.3 0.2 1 205 20 30 GLU CB C 29.1 0.2 1 206 20 30 GLU CG C 35.8 0.2 1 207 20 30 GLU N N 120.0 0.2 1 208 21 31 ALA H H 8.66 0.02 1 209 21 31 ALA HA H 4.61 0.02 1 210 21 31 ALA HB H 1.32 0.02 1 211 21 31 ALA C C 177.2 0.2 1 212 21 31 ALA CA C 51.2 0.2 1 213 21 31 ALA CB C 22.5 0.2 1 214 21 31 ALA N N 129.5 0.2 1 215 22 32 ARG H H 8.09 0.02 1 216 22 32 ARG HA H 4.95 0.02 1 217 22 32 ARG HB2 H 2.00 0.02 2 218 22 32 ARG HB3 H 2.00 0.02 2 219 22 32 ARG HG2 H 2.04 0.02 2 220 22 32 ARG HG3 H 1.75 0.02 2 221 22 32 ARG HD2 H 3.33 0.02 2 222 22 32 ARG HD3 H 3.28 0.02 2 223 22 32 ARG HE H 7.56 0.02 1 224 22 32 ARG C C 173.4 0.2 1 225 22 32 ARG CA C 55.5 0.2 1 226 22 32 ARG CB C 32.5 0.2 1 227 22 32 ARG CG C 27.5 0.2 1 228 22 32 ARG CD C 44.2 0.2 1 229 22 32 ARG N N 120.4 0.2 1 230 22 32 ARG NE N 83.7 0.2 1 231 23 33 SER H H 8.08 0.02 1 232 23 33 SER HA H 5.56 0.02 1 233 23 33 SER HB2 H 3.66 0.02 2 234 23 33 SER HB3 H 3.31 0.02 2 235 23 33 SER HG H 6.18 0.02 1 236 23 33 SER C C 174.5 0.2 1 237 23 33 SER CA C 55.6 0.2 1 238 23 33 SER CB C 67.3 0.2 1 239 23 33 SER N N 113.8 0.2 1 240 24 34 ILE H H 7.98 0.02 1 241 24 34 ILE HA H 4.95 0.02 1 242 24 34 ILE HB H 1.65 0.02 1 243 24 34 ILE HG12 H 1.57 0.02 2 244 24 34 ILE HG13 H 0.76 0.02 2 245 24 34 ILE HG2 H 0.50 0.02 1 246 24 34 ILE HD1 H 0.61 0.02 1 247 24 34 ILE C C 175.4 0.2 1 248 24 34 ILE CA C 58.3 0.2 1 249 24 34 ILE CB C 39.9 0.2 1 250 24 34 ILE CG1 C 27.2 0.2 1 251 24 34 ILE CG2 C 23.3 0.2 1 252 24 34 ILE CD1 C 15.7 0.2 1 253 24 34 ILE N N 112.7 0.2 1 254 25 35 ILE H H 8.96 0.02 1 255 25 35 ILE HA H 4.96 0.02 1 256 25 35 ILE HB H 1.37 0.02 1 257 25 35 ILE HG12 H 1.38 0.02 2 258 25 35 ILE HG13 H 0.48 0.02 2 259 25 35 ILE HG2 H 0.61 0.02 1 260 25 35 ILE HD1 H 0.54 0.02 1 261 25 35 ILE C C 174.8 0.2 1 262 25 35 ILE CA C 60.7 0.2 1 263 25 35 ILE CB C 41.3 0.2 1 264 25 35 ILE CG1 C 28.3 0.2 1 265 25 35 ILE CG2 C 17.3 0.2 1 266 25 35 ILE CD1 C 14.0 0.2 1 267 25 35 ILE N N 121.8 0.2 1 268 26 36 ILE H H 9.21 0.02 1 269 26 36 ILE HA H 4.77 0.02 1 270 26 36 ILE HB H 1.54 0.02 1 271 26 36 ILE HG12 H 2.07 0.02 2 272 26 36 ILE HG13 H 1.25 0.02 2 273 26 36 ILE HG2 H 0.84 0.02 1 274 26 36 ILE HD1 H 1.11 0.02 1 275 26 36 ILE C C 175.0 0.2 1 276 26 36 ILE CA C 59.9 0.2 1 277 26 36 ILE CB C 42.1 0.2 1 278 26 36 ILE CG1 C 29.8 0.2 1 279 26 36 ILE CG2 C 18.2 0.2 1 280 26 36 ILE CD1 C 16.7 0.2 1 281 26 36 ILE N N 127.9 0.2 1 282 27 37 ARG H H 8.67 0.02 1 283 27 37 ARG HA H 5.85 0.02 1 284 27 37 ARG HB2 H 1.67 0.02 2 285 27 37 ARG HB3 H 1.67 0.02 2 286 27 37 ARG HG2 H 1.54 0.02 2 287 27 37 ARG HG3 H 1.45 0.02 2 288 27 37 ARG HD2 H 3.16 0.02 2 289 27 37 ARG HD3 H 3.07 0.02 2 290 27 37 ARG HE H 7.72 0.02 1 291 27 37 ARG C C 176.2 0.2 1 292 27 37 ARG CA C 54.1 0.2 1 293 27 37 ARG CB C 32.9 0.2 1 294 27 37 ARG CG C 28.8 0.2 1 295 27 37 ARG CD C 43.4 0.2 1 296 27 37 ARG N N 124.1 0.2 1 297 27 37 ARG NE N 85.3 0.2 1 298 28 38 GLN H H 9.31 0.02 1 299 28 38 GLN HA H 4.71 0.02 1 300 28 38 GLN HB2 H 1.85 0.02 2 301 28 38 GLN HB3 H 1.85 0.02 2 302 28 38 GLN HG2 H 2.40 0.02 2 303 28 38 GLN HG3 H 2.09 0.02 2 304 28 38 GLN HE21 H 6.64 0.02 2 305 28 38 GLN HE22 H 6.89 0.02 2 306 28 38 GLN C C 173.2 0.2 1 307 28 38 GLN CA C 54.4 0.2 1 308 28 38 GLN CB C 35.2 0.2 1 309 28 38 GLN CG C 34.4 0.2 1 310 28 38 GLN CD C 178.3 0.2 1 311 28 38 GLN N N 122.9 0.2 1 312 28 38 GLN NE2 N 109.7 0.2 1 313 29 39 ARG H H 8.51 0.02 1 314 29 39 ARG HA H 5.26 0.02 1 315 29 39 ARG HB2 H 1.72 0.02 2 316 29 39 ARG HB3 H 1.47 0.02 2 317 29 39 ARG HG2 H 1.52 0.02 2 318 29 39 ARG HG3 H 1.52 0.02 2 319 29 39 ARG HD2 H 3.01 0.02 2 320 29 39 ARG HD3 H 3.01 0.02 2 321 29 39 ARG HE H 8.09 0.02 1 322 29 39 ARG C C 175.4 0.2 1 323 29 39 ARG CA C 55.1 0.2 1 324 29 39 ARG CB C 32.5 0.2 1 325 29 39 ARG CG C 29.2 0.2 1 326 29 39 ARG CD C 43.2 0.2 1 327 29 39 ARG N N 121.4 0.2 1 328 29 39 ARG NE N 86.7 0.2 1 329 30 40 TYR H H 9.14 0.02 1 330 30 40 TYR HA H 4.60 0.02 1 331 30 40 TYR HB2 H 2.82 0.02 2 332 30 40 TYR HB3 H 2.50 0.02 2 333 30 40 TYR HD1 H 6.86 0.02 3 334 30 40 TYR HD2 H 6.86 0.02 3 335 30 40 TYR HE1 H 6.56 0.02 3 336 30 40 TYR HE2 H 6.56 0.02 3 337 30 40 TYR C C 175.6 0.2 1 338 30 40 TYR CA C 56.9 0.2 1 339 30 40 TYR CB C 42.7 0.2 1 340 30 40 TYR CD1 C 131.9 0.2 3 341 30 40 TYR CD2 C 131.9 0.2 3 342 30 40 TYR CE1 C 118.8 0.2 3 343 30 40 TYR CE2 C 118.8 0.2 3 344 30 40 TYR N N 120.0 0.2 1 345 31 41 ASP H H 9.14 0.02 1 346 31 41 ASP HA H 4.88 0.02 1 347 31 41 ASP HB2 H 2.79 0.02 2 348 31 41 ASP HB3 H 2.53 0.02 2 349 31 41 ASP C C 174.5 0.2 1 350 31 41 ASP CA C 53.2 0.2 1 351 31 41 ASP CB C 39.2 0.2 1 352 31 41 ASP N N 126.4 0.2 1 353 32 42 ALA H H 7.77 0.02 1 354 32 42 ALA HA H 4.69 0.02 1 355 32 42 ALA HB H 1.16 0.02 1 356 32 42 ALA CA C 50.1 0.2 1 357 32 42 ALA CB C 20.2 0.2 1 358 32 42 ALA N N 123.1 0.2 1 359 33 43 PRO HA H 4.65 0.02 1 360 33 43 PRO HB2 H 2.13 0.02 2 361 33 43 PRO HB3 H 2.48 0.02 2 362 33 43 PRO HG2 H 2.13 0.02 2 363 33 43 PRO HG3 H 2.04 0.02 2 364 33 43 PRO HD2 H 3.81 0.02 2 365 33 43 PRO HD3 H 3.65 0.02 2 366 33 43 PRO C C 178.1 0.2 1 367 33 43 PRO CA C 62.0 0.2 1 368 33 43 PRO CB C 33.0 0.2 1 369 33 43 PRO CG C 27.8 0.2 1 370 33 43 PRO CD C 50.4 0.2 1 371 34 44 VAL H H 8.57 0.02 1 372 34 44 VAL HA H 3.96 0.02 1 373 34 44 VAL HB H 1.96 0.02 1 374 34 44 VAL HG1 H 0.91 0.02 1 375 34 44 VAL HG2 H 0.99 0.02 1 376 34 44 VAL C C 177.5 0.2 1 377 34 44 VAL CA C 66.0 0.2 1 378 34 44 VAL CB C 32.0 0.2 1 379 34 44 VAL CG1 C 21.3 0.2 1 380 34 44 VAL CG2 C 22.7 0.2 1 381 34 44 VAL N N 123.5 0.2 1 382 35 45 ASP H H 8.52 0.02 1 383 35 45 ASP HA H 4.29 0.02 1 384 35 45 ASP HB2 H 2.67 0.02 2 385 35 45 ASP HB3 H 2.59 0.02 2 386 35 45 ASP C C 178.8 0.2 1 387 35 45 ASP CA C 57.5 0.2 1 388 35 45 ASP CB C 40.4 0.2 1 389 35 45 ASP N N 116.2 0.2 1 390 36 46 GLU H H 7.36 0.02 1 391 36 46 GLU HA H 4.26 0.02 1 392 36 46 GLU HB2 H 2.08 0.02 2 393 36 46 GLU HB3 H 2.08 0.02 2 394 36 46 GLU HG2 H 2.30 0.02 2 395 36 46 GLU HG3 H 2.20 0.02 2 396 36 46 GLU C C 179.0 0.2 1 397 36 46 GLU CA C 58.4 0.2 1 398 36 46 GLU CB C 29.7 0.2 1 399 36 46 GLU CG C 35.9 0.2 1 400 36 46 GLU N N 120.1 0.2 1 401 37 47 VAL H H 7.68 0.02 1 402 37 47 VAL HA H 3.37 0.02 1 403 37 47 VAL HB H 2.10 0.02 1 404 37 47 VAL HG1 H 0.69 0.02 1 405 37 47 VAL HG2 H 0.72 0.02 1 406 37 47 VAL C C 177.1 0.2 1 407 37 47 VAL CA C 66.9 0.2 1 408 37 47 VAL CB C 31.0 0.2 1 409 37 47 VAL CG1 C 22.8 0.2 1 410 37 47 VAL CG2 C 22.7 0.2 1 411 37 47 VAL N N 121.8 0.2 1 412 38 48 TRP H H 9.16 0.02 1 413 38 48 TRP HA H 3.99 0.02 1 414 38 48 TRP HB2 H 3.63 0.02 2 415 38 48 TRP HB3 H 3.19 0.02 2 416 38 48 TRP HD1 H 7.23 0.02 1 417 38 48 TRP HE1 H 10.30 0.02 1 418 38 48 TRP HE3 H 7.19 0.02 1 419 38 48 TRP HZ2 H 7.53 0.02 1 420 38 48 TRP HZ3 H 6.47 0.02 1 421 38 48 TRP HH2 H 7.04 0.02 1 422 38 48 TRP C C 180.7 0.2 1 423 38 48 TRP CA C 60.9 0.2 1 424 38 48 TRP CB C 29.3 0.2 1 425 38 48 TRP CD1 C 126.9 0.2 1 426 38 48 TRP CE3 C 121.5 0.2 1 427 38 48 TRP CZ2 C 113.9 0.2 1 428 38 48 TRP CZ3 C 121.5 0.2 1 429 38 48 TRP CH2 C 124.5 0.2 1 430 38 48 TRP N N 119.8 0.2 1 431 38 48 TRP NE1 N 130.9 0.2 1 432 39 49 SER H H 8.23 0.02 1 433 39 49 SER HA H 4.01 0.02 1 434 39 49 SER HB2 H 4.13 0.02 2 435 39 49 SER HB3 H 4.01 0.02 2 436 39 49 SER C C 175.7 0.2 1 437 39 49 SER CA C 62.7 0.2 1 438 39 49 SER CB C 62.7 0.2 1 439 39 49 SER N N 116.1 0.2 1 440 40 50 ALA H H 7.77 0.02 1 441 40 50 ALA HA H 4.02 0.02 1 442 40 50 ALA HB H 1.55 0.02 1 443 40 50 ALA C C 176.7 0.2 1 444 40 50 ALA CA C 55.2 0.2 1 445 40 50 ALA CB C 18.8 0.2 1 446 40 50 ALA N N 122.3 0.2 1 447 41 51 CYS H H 7.08 0.02 1 448 41 51 CYS HA H 4.51 0.02 1 449 41 51 CYS HB2 H 2.59 0.02 2 450 41 51 CYS HB3 H 2.48 0.02 2 451 41 51 CYS C C 172.2 0.2 1 452 41 51 CYS CA C 61.1 0.2 1 453 41 51 CYS CB C 29.8 0.2 1 454 41 51 CYS N N 109.4 0.2 1 455 42 52 THR H H 6.80 0.02 1 456 42 52 THR HA H 4.24 0.02 1 457 42 52 THR HB H 3.57 0.02 1 458 42 52 THR HG2 H -0.36 0.02 1 459 42 52 THR C C 173.5 0.2 1 460 42 52 THR CA C 62.2 0.2 1 461 42 52 THR CB C 71.8 0.2 1 462 42 52 THR CG2 C 19.1 0.2 1 463 42 52 THR N N 100.1 0.2 1 464 43 53 ASP H H 8.04 0.02 1 465 43 53 ASP HA H 5.08 0.02 1 466 43 53 ASP HB2 H 3.14 0.02 2 467 43 53 ASP HB3 H 2.74 0.02 2 468 43 53 ASP CA C 50.6 0.2 1 469 43 53 ASP CB C 42.0 0.2 1 470 43 53 ASP N N 123.0 0.2 1 471 44 54 PRO HA H 3.96 0.02 1 472 44 54 PRO HB2 H 2.22 0.02 2 473 44 54 PRO HB3 H 2.22 0.02 2 474 44 54 PRO HG2 H 2.14 0.02 2 475 44 54 PRO HG3 H 2.00 0.02 2 476 44 54 PRO HD2 H 4.20 0.02 2 477 44 54 PRO HD3 H 3.91 0.02 2 478 44 54 PRO C C 176.3 0.2 1 479 44 54 PRO CA C 65.9 0.2 1 480 44 54 PRO CB C 32.7 0.2 1 481 44 54 PRO CG C 27.9 0.2 1 482 44 54 PRO CD C 51.4 0.2 1 483 45 55 ASN H H 8.16 0.02 1 484 45 55 ASN HA H 4.52 0.02 1 485 45 55 ASN HB2 H 2.78 0.02 2 486 45 55 ASN HB3 H 2.78 0.02 2 487 45 55 ASN HD21 H 7.08 0.02 1 488 45 55 ASN HD22 H 8.03 0.02 1 489 45 55 ASN C C 175.9 0.2 1 490 45 55 ASN CA C 55.1 0.2 1 491 45 55 ASN CB C 38.9 0.2 1 492 45 55 ASN CG C 177.2 0.2 1 493 45 55 ASN N N 112.7 0.2 1 494 45 55 ASN ND2 N 115.4 0.2 1 495 46 56 ARG H H 7.94 0.02 1 496 46 56 ARG HA H 4.25 0.02 1 497 46 56 ARG HB2 H 2.18 0.02 2 498 46 56 ARG HB3 H 1.88 0.02 2 499 46 56 ARG HG2 H 1.71 0.02 2 500 46 56 ARG HG3 H 1.71 0.02 2 501 46 56 ARG HD2 H 3.28 0.02 2 502 46 56 ARG HD3 H 3.18 0.02 2 503 46 56 ARG HE H 7.27 0.02 1 504 46 56 ARG C C 177.1 0.2 1 505 46 56 ARG CA C 58.4 0.2 1 506 46 56 ARG CB C 31.8 0.2 1 507 46 56 ARG CG C 28.5 0.2 1 508 46 56 ARG CD C 43.5 0.2 1 509 46 56 ARG N N 117.7 0.2 1 510 46 56 ARG NE N 85.1 0.2 1 511 47 57 ILE H H 8.61 0.02 1 512 47 57 ILE HA H 3.42 0.02 1 513 47 57 ILE HB H 1.13 0.02 1 514 47 57 ILE HG12 H 1.52 0.02 2 515 47 57 ILE HG13 H 0.74 0.02 2 516 47 57 ILE HG2 H 0.60 0.02 1 517 47 57 ILE HD1 H 0.37 0.02 1 518 47 57 ILE C C 177.4 0.2 1 519 47 57 ILE CA C 64.4 0.2 1 520 47 57 ILE CB C 39.5 0.2 1 521 47 57 ILE CG1 C 28.5 0.2 1 522 47 57 ILE CG2 C 19.6 0.2 1 523 47 57 ILE CD1 C 14.5 0.2 1 524 47 57 ILE N N 120.1 0.2 1 525 48 58 ASN H H 7.44 0.02 1 526 48 58 ASN HA H 3.78 0.02 1 527 48 58 ASN HB2 H 2.99 0.02 2 528 48 58 ASN HB3 H 2.51 0.02 2 529 48 58 ASN HD21 H 6.57 0.02 1 530 48 58 ASN HD22 H 7.41 0.02 1 531 48 58 ASN C C 175.3 0.2 1 532 48 58 ASN CA C 54.4 0.2 1 533 48 58 ASN CB C 38.2 0.2 1 534 48 58 ASN CG C 174.7 0.2 1 535 48 58 ASN N N 112.1 0.2 1 536 48 58 ASN ND2 N 109.9 0.2 1 537 49 59 ARG H H 7.37 0.02 1 538 49 59 ARG HA H 4.12 0.02 1 539 49 59 ARG HB2 H 1.88 0.02 2 540 49 59 ARG HB3 H 1.76 0.02 2 541 49 59 ARG HG2 H 1.89 0.02 2 542 49 59 ARG HG3 H 1.78 0.02 2 543 49 59 ARG HD2 H 3.27 0.02 2 544 49 59 ARG HD3 H 3.27 0.02 2 545 49 59 ARG HE H 7.29 0.02 1 546 49 59 ARG C C 174.7 0.2 1 547 49 59 ARG CA C 55.9 0.2 1 548 49 59 ARG CB C 29.9 0.2 1 549 49 59 ARG CG C 26.7 0.2 1 550 49 59 ARG CD C 42.4 0.2 1 551 49 59 ARG N N 115.6 0.2 1 552 49 59 ARG NE N 84.6 0.2 1 553 50 60 TRP H H 6.86 0.02 1 554 50 60 TRP HA H 4.86 0.02 1 555 50 60 TRP HB2 H 3.65 0.02 2 556 50 60 TRP HB3 H 2.52 0.02 2 557 50 60 TRP HD1 H 6.33 0.02 1 558 50 60 TRP HE1 H 10.10 0.02 1 559 50 60 TRP HE3 H 7.74 0.02 1 560 50 60 TRP HZ2 H 7.37 0.02 1 561 50 60 TRP HZ3 H 6.67 0.02 1 562 50 60 TRP HH2 H 6.76 0.02 1 563 50 60 TRP C C 173.4 0.2 1 564 50 60 TRP CA C 55.8 0.2 1 565 50 60 TRP CB C 31.5 0.2 1 566 50 60 TRP CD1 C 127.3 0.2 1 567 50 60 TRP CE3 C 122.7 0.2 1 568 50 60 TRP CZ2 C 114.8 0.2 1 569 50 60 TRP CZ3 C 121.1 0.2 1 570 50 60 TRP CH2 C 123.6 0.2 1 571 50 60 TRP N N 112.5 0.2 1 572 50 60 TRP NE1 N 130.2 0.2 1 573 51 61 PHE H H 7.83 0.02 1 574 51 61 PHE HA H 4.69 0.02 1 575 51 61 PHE HB2 H 1.59 0.02 2 576 51 61 PHE HB3 H 1.59 0.02 2 577 51 61 PHE HD1 H 7.08 0.02 3 578 51 61 PHE HD2 H 7.08 0.02 3 579 51 61 PHE HE1 H 7.28 0.02 3 580 51 61 PHE HE2 H 7.28 0.02 3 581 51 61 PHE HZ H 7.09 0.02 1 582 51 61 PHE C C 173.0 0.2 1 583 51 61 PHE CA C 55.0 0.2 1 584 51 61 PHE CB C 37.6 0.2 1 585 51 61 PHE CD1 C 130.3 0.2 3 586 51 61 PHE CD2 C 130.3 0.2 3 587 51 61 PHE CE1 C 131.6 0.2 3 588 51 61 PHE CE2 C 131.6 0.2 3 589 51 61 PHE CZ C 129.3 0.2 1 590 51 61 PHE N N 126.4 0.2 1 591 52 62 ILE H H 6.01 0.02 1 592 52 62 ILE HA H 3.76 0.02 1 593 52 62 ILE HB H 0.66 0.02 1 594 52 62 ILE HG12 H 0.47 0.02 2 595 52 62 ILE HG13 H 0.47 0.02 2 596 52 62 ILE HG2 H 0.71 0.02 1 597 52 62 ILE HD1 H 0.34 0.02 1 598 52 62 ILE C C 172.6 0.2 1 599 52 62 ILE CA C 59.9 0.2 1 600 52 62 ILE CB C 41.6 0.2 1 601 52 62 ILE CG1 C 27.0 0.2 1 602 52 62 ILE CG2 C 18.0 0.2 1 603 52 62 ILE CD1 C 14.2 0.2 1 604 52 62 ILE N N 126.8 0.2 1 605 53 63 GLU H H 8.28 0.02 1 606 53 63 GLU HA H 3.85 0.02 1 607 53 63 GLU HB2 H 1.96 0.02 2 608 53 63 GLU HB3 H 1.96 0.02 2 609 53 63 GLU HG2 H 2.16 0.02 2 610 53 63 GLU HG3 H 2.02 0.02 2 611 53 63 GLU CA C 54.8 0.2 1 612 53 63 GLU CB C 31.7 0.2 1 613 53 63 GLU CG C 35.4 0.2 1 614 53 63 GLU N N 124.4 0.2 1 615 54 64 PRO HA H 4.92 0.02 1 616 54 64 PRO HB2 H 1.77 0.02 2 617 54 64 PRO HB3 H 1.91 0.02 2 618 54 64 PRO HG2 H 2.12 0.02 2 619 54 64 PRO HG3 H 1.84 0.02 2 620 54 64 PRO HD2 H 4.08 0.02 2 621 54 64 PRO HD3 H 3.53 0.02 2 622 54 64 PRO C C 175.5 0.2 1 623 54 64 PRO CA C 62.0 0.2 1 624 54 64 PRO CB C 31.8 0.2 1 625 54 64 PRO CG C 27.0 0.2 1 626 54 64 PRO CD C 49.9 0.2 1 627 55 65 LYS H H 8.37 0.02 1 628 55 65 LYS HA H 4.78 0.02 1 629 55 65 LYS HB2 H 1.85 0.02 2 630 55 65 LYS HB3 H 1.73 0.02 2 631 55 65 LYS HG2 H 1.42 0.02 2 632 55 65 LYS HG3 H 1.42 0.02 2 633 55 65 LYS HD2 H 1.67 0.02 2 634 55 65 LYS HD3 H 1.62 0.02 2 635 55 65 LYS HE2 H 2.85 0.02 2 636 55 65 LYS HE3 H 2.85 0.02 2 637 55 65 LYS C C 176.0 0.2 1 638 55 65 LYS CA C 54.2 0.2 1 639 55 65 LYS CB C 35.3 0.2 1 640 55 65 LYS CG C 25.1 0.2 1 641 55 65 LYS CD C 28.9 0.2 1 642 55 65 LYS CE C 42.3 0.2 1 643 55 65 LYS N N 120.2 0.2 1 644 56 66 GLY H H 8.64 0.02 1 645 56 66 GLY HA2 H 4.66 0.02 2 646 56 66 GLY HA3 H 3.69 0.02 2 647 56 66 GLY C C 171.4 0.2 1 648 56 66 GLY CA C 45.4 0.2 1 649 56 66 GLY N N 109.4 0.2 1 650 57 67 ASP H H 7.79 0.02 1 651 57 67 ASP HA H 4.90 0.02 1 652 57 67 ASP HB2 H 2.90 0.02 2 653 57 67 ASP HB3 H 2.63 0.02 2 654 57 67 ASP C C 175.6 0.2 1 655 57 67 ASP CA C 52.4 0.2 1 656 57 67 ASP CB C 40.7 0.2 1 657 57 67 ASP N N 123.8 0.2 1 658 58 68 LEU H H 8.33 0.02 1 659 58 68 LEU HA H 4.27 0.02 1 660 58 68 LEU HB2 H 2.05 0.02 2 661 58 68 LEU HB3 H 1.17 0.02 2 662 58 68 LEU HG H 1.72 0.02 1 663 58 68 LEU HD1 H 0.90 0.02 1 664 58 68 LEU HD2 H 0.74 0.02 1 665 58 68 LEU C C 173.7 0.2 1 666 58 68 LEU CA C 54.5 0.2 1 667 58 68 LEU CB C 38.3 0.2 1 668 58 68 LEU CG C 26.4 0.2 1 669 58 68 LEU CD1 C 26.0 0.2 1 670 58 68 LEU CD2 C 22.7 0.2 1 671 58 68 LEU N N 122.8 0.2 1 672 59 69 ARG H H 8.12 0.02 1 673 59 69 ARG HA H 4.71 0.02 1 674 59 69 ARG HB2 H 1.69 0.02 2 675 59 69 ARG HB3 H 1.69 0.02 2 676 59 69 ARG HG2 H 1.35 0.02 2 677 59 69 ARG HG3 H 1.16 0.02 2 678 59 69 ARG HD2 H 3.12 0.02 2 679 59 69 ARG HD3 H 3.04 0.02 2 680 59 69 ARG HE H 8.08 0.02 1 681 59 69 ARG CA C 54.1 0.2 1 682 59 69 ARG CB C 31.8 0.2 1 683 59 69 ARG CG C 25.0 0.2 1 684 59 69 ARG CD C 43.5 0.2 1 685 59 69 ARG N N 121.8 0.2 1 686 59 69 ARG NE N 87.4 0.2 1 687 60 70 GLU H H 9.13 0.02 1 688 60 70 GLU HA H 3.87 0.02 1 689 60 70 GLU HB2 H 2.18 0.02 2 690 60 70 GLU HB3 H 2.18 0.02 2 691 60 70 GLU HG2 H 2.25 0.02 2 692 60 70 GLU HG3 H 1.99 0.02 2 693 60 70 GLU C C 177.2 0.2 1 694 60 70 GLU CA C 60.0 0.2 1 695 60 70 GLU CB C 30.2 0.2 1 696 60 70 GLU CG C 38.2 0.2 1 697 60 70 GLU N N 122.8 0.2 1 698 61 71 GLY H H 8.71 0.02 1 699 61 71 GLY HA2 H 4.47 0.02 2 700 61 71 GLY HA3 H 3.98 0.02 2 701 61 71 GLY C C 174.9 0.2 1 702 61 71 GLY CA C 45.6 0.2 1 703 61 71 GLY N N 117.1 0.2 1 704 62 72 GLY H H 8.76 0.02 1 705 62 72 GLY HA2 H 4.62 0.02 2 706 62 72 GLY HA3 H 4.50 0.02 2 707 62 72 GLY C C 174.2 0.2 1 708 62 72 GLY CA C 43.4 0.2 1 709 62 72 GLY N N 110.3 0.2 1 710 63 73 ASN H H 8.89 0.02 1 711 63 73 ASN HA H 5.49 0.02 1 712 63 73 ASN HB2 H 3.13 0.02 2 713 63 73 ASN HB3 H 2.87 0.02 2 714 63 73 ASN HD21 H 6.93 0.02 1 715 63 73 ASN HD22 H 7.78 0.02 1 716 63 73 ASN C C 171.4 0.2 1 717 63 73 ASN CA C 52.9 0.2 1 718 63 73 ASN CB C 41.5 0.2 1 719 63 73 ASN CG C 177.5 0.2 1 720 63 73 ASN N N 117.8 0.2 1 721 63 73 ASN ND2 N 116.3 0.2 1 722 64 74 PHE H H 8.70 0.02 1 723 64 74 PHE HA H 5.50 0.02 1 724 64 74 PHE HB2 H 2.65 0.02 2 725 64 74 PHE HB3 H 2.65 0.02 2 726 64 74 PHE HD1 H 6.64 0.02 3 727 64 74 PHE HD2 H 6.64 0.02 3 728 64 74 PHE HE1 H 7.04 0.02 3 729 64 74 PHE HE2 H 7.04 0.02 3 730 64 74 PHE C C 173.2 0.2 1 731 64 74 PHE CA C 55.9 0.2 1 732 64 74 PHE CB C 44.6 0.2 1 733 64 74 PHE CD1 C 131.0 0.2 3 734 64 74 PHE CD2 C 131.0 0.2 3 735 64 74 PHE CE1 C 130.1 0.2 3 736 64 74 PHE CE2 C 130.1 0.2 3 737 64 74 PHE N N 113.5 0.2 1 738 65 75 ALA H H 8.69 0.02 1 739 65 75 ALA HA H 4.35 0.02 1 740 65 75 ALA HB H 1.24 0.02 1 741 65 75 ALA C C 176.0 0.2 1 742 65 75 ALA CA C 52.5 0.2 1 743 65 75 ALA CB C 21.8 0.2 1 744 65 75 ALA N N 122.2 0.2 1 745 66 76 LEU H H 8.35 0.02 1 746 66 76 LEU HA H 4.52 0.02 1 747 66 76 LEU HB2 H 2.22 0.02 2 748 66 76 LEU HB3 H 0.77 0.02 2 749 66 76 LEU HG H 1.71 0.02 1 750 66 76 LEU HD1 H 0.94 0.02 1 751 66 76 LEU HD2 H 0.60 0.02 1 752 66 76 LEU C C 175.8 0.2 1 753 66 76 LEU CA C 52.5 0.2 1 754 66 76 LEU CB C 42.4 0.2 1 755 66 76 LEU CG C 26.6 0.2 1 756 66 76 LEU CD1 C 27.1 0.2 1 757 66 76 LEU CD2 C 22.3 0.2 1 758 66 76 LEU N N 123.8 0.2 1 759 67 77 GLN H H 8.59 0.02 1 760 67 77 GLN HA H 3.90 0.02 1 761 67 77 GLN HB2 H 1.99 0.02 2 762 67 77 GLN HB3 H 1.82 0.02 2 763 67 77 GLN HG2 H 2.23 0.02 2 764 67 77 GLN HG3 H 2.23 0.02 2 765 67 77 GLN HE21 H 6.83 0.02 1 766 67 77 GLN HE22 H 7.49 0.02 1 767 67 77 GLN C C 176.6 0.2 1 768 67 77 GLN CA C 57.8 0.2 1 769 67 77 GLN CB C 28.0 0.2 1 770 67 77 GLN CG C 33.1 0.2 1 771 67 77 GLN CD C 180.0 0.2 1 772 67 77 GLN N N 127.4 0.2 1 773 67 77 GLN NE2 N 112.4 0.2 1 774 68 78 GLY H H 8.92 0.02 1 775 68 78 GLY HA2 H 3.95 0.02 2 776 68 78 GLY HA3 H 3.72 0.02 2 777 68 78 GLY C C 173.7 0.2 1 778 68 78 GLY CA C 45.7 0.2 1 779 68 78 GLY N N 114.8 0.2 1 780 69 79 ASN H H 8.36 0.02 1 781 69 79 ASN HA H 4.60 0.02 1 782 69 79 ASN HB2 H 2.54 0.02 2 783 69 79 ASN HB3 H 2.18 0.02 2 784 69 79 ASN HD21 H 7.16 0.02 1 785 69 79 ASN HD22 H 7.54 0.02 1 786 69 79 ASN C C 173.3 0.2 1 787 69 79 ASN CA C 52.9 0.2 1 788 69 79 ASN CB C 41.6 0.2 1 789 69 79 ASN CG C 177.0 0.2 1 790 69 79 ASN N N 124.0 0.2 1 791 69 79 ASN ND2 N 113.2 0.2 1 792 70 80 ALA H H 8.93 0.02 1 793 70 80 ALA HA H 4.17 0.02 1 794 70 80 ALA HB H -0.09 0.02 1 795 70 80 ALA C C 174.5 0.2 1 796 70 80 ALA CA C 52.5 0.2 1 797 70 80 ALA CB C 18.6 0.2 1 798 70 80 ALA N N 127.2 0.2 1 799 71 81 SER H H 7.98 0.02 1 800 71 81 SER HA H 4.17 0.02 1 801 71 81 SER HB2 H 3.74 0.02 2 802 71 81 SER HB3 H 3.74 0.02 2 803 71 81 SER C C 170.9 0.2 1 804 71 81 SER CA C 56.3 0.2 1 805 71 81 SER CB C 66.6 0.2 1 806 71 81 SER N N 111.0 0.2 1 807 72 82 GLY H H 6.94 0.02 1 808 72 82 GLY HA2 H 4.23 0.02 2 809 72 82 GLY HA3 H 3.57 0.02 2 810 72 82 GLY C C 171.7 0.2 1 811 72 82 GLY CA C 46.2 0.2 1 812 72 82 GLY N N 102.7 0.2 1 813 73 83 ASP H H 8.77 0.02 1 814 73 83 ASP HA H 5.43 0.02 1 815 73 83 ASP HB2 H 2.81 0.02 2 816 73 83 ASP HB3 H 2.51 0.02 2 817 73 83 ASP C C 176.1 0.2 1 818 73 83 ASP CA C 52.7 0.2 1 819 73 83 ASP CB C 43.6 0.2 1 820 73 83 ASP N N 117.9 0.2 1 821 74 84 ILE H H 8.06 0.02 1 822 74 84 ILE HA H 4.53 0.02 1 823 74 84 ILE HB H 2.11 0.02 1 824 74 84 ILE HG12 H 1.71 0.02 2 825 74 84 ILE HG13 H 0.95 0.02 2 826 74 84 ILE HG2 H 0.86 0.02 1 827 74 84 ILE HD1 H 1.07 0.02 1 828 74 84 ILE C C 175.6 0.2 1 829 74 84 ILE CA C 61.7 0.2 1 830 74 84 ILE CB C 36.7 0.2 1 831 74 84 ILE CG1 C 28.5 0.2 1 832 74 84 ILE CG2 C 18.6 0.2 1 833 74 84 ILE CD1 C 15.5 0.2 1 834 74 84 ILE N N 120.2 0.2 1 835 75 85 LEU H H 8.71 0.02 1 836 75 85 LEU HA H 4.33 0.02 1 837 75 85 LEU HB2 H 1.64 0.02 2 838 75 85 LEU HB3 H 1.51 0.02 2 839 75 85 LEU HG H 1.78 0.02 1 840 75 85 LEU HD1 H 0.93 0.02 1 841 75 85 LEU HD2 H 0.92 0.02 1 842 75 85 LEU C C 178.1 0.2 1 843 75 85 LEU CA C 57.0 0.2 1 844 75 85 LEU CB C 42.0 0.2 1 845 75 85 LEU CG C 27.5 0.2 1 846 75 85 LEU CD1 C 25.6 0.2 1 847 75 85 LEU CD2 C 23.0 0.2 1 848 75 85 LEU N N 130.4 0.2 1 849 76 86 ARG H H 8.13 0.02 1 850 76 86 ARG HA H 4.84 0.02 1 851 76 86 ARG HB2 H 1.80 0.02 2 852 76 86 ARG HB3 H 1.75 0.02 2 853 76 86 ARG HG2 H 1.54 0.02 2 854 76 86 ARG HG3 H 1.50 0.02 2 855 76 86 ARG HD2 H 3.18 0.02 2 856 76 86 ARG HD3 H 3.18 0.02 2 857 76 86 ARG HE H 7.28 0.02 1 858 76 86 ARG C C 174.9 0.2 1 859 76 86 ARG CA C 54.7 0.2 1 860 76 86 ARG CB C 33.9 0.2 1 861 76 86 ARG CG C 27.2 0.2 1 862 76 86 ARG CD C 43.3 0.2 1 863 76 86 ARG N N 115.7 0.2 1 864 76 86 ARG NE N 83.8 0.2 1 865 77 87 CYS H H 10.63 0.02 1 866 77 87 CYS HA H 5.13 0.02 1 867 77 87 CYS HB2 H 3.39 0.02 2 868 77 87 CYS HB3 H 2.90 0.02 2 869 77 87 CYS C C 171.7 0.2 1 870 77 87 CYS CA C 54.6 0.2 1 871 77 87 CYS CB C 33.0 0.2 1 872 77 87 CYS N N 127.1 0.2 1 873 78 88 GLU H H 9.46 0.02 1 874 78 88 GLU HA H 4.95 0.02 1 875 78 88 GLU HB2 H 2.07 0.02 2 876 78 88 GLU HB3 H 1.99 0.02 2 877 78 88 GLU HG2 H 2.23 0.02 2 878 78 88 GLU HG3 H 2.07 0.02 2 879 78 88 GLU CA C 52.1 0.2 1 880 78 88 GLU CB C 30.5 0.2 1 881 78 88 GLU CG C 35.5 0.2 1 882 78 88 GLU N N 128.2 0.2 1 883 79 89 PRO HA H 2.78 0.02 1 884 79 89 PRO HB2 H 1.56 0.02 2 885 79 89 PRO HB3 H 2.07 0.02 2 886 79 89 PRO HG2 H 2.13 0.02 2 887 79 89 PRO HG3 H 2.13 0.02 2 888 79 89 PRO HD2 H 3.77 0.02 2 889 79 89 PRO HD3 H 3.77 0.02 2 890 79 89 PRO CA C 60.5 0.2 1 891 79 89 PRO CB C 31.6 0.2 1 892 79 89 PRO CG C 27.5 0.2 1 893 79 89 PRO CD C 51.0 0.2 1 894 80 90 PRO HA H 2.25 0.02 1 895 80 90 PRO HB2 H 1.43 0.02 2 896 80 90 PRO HB3 H 2.22 0.02 2 897 80 90 PRO HG2 H 1.81 0.02 2 898 80 90 PRO HG3 H 1.25 0.02 2 899 80 90 PRO HD2 H 3.26 0.02 2 900 80 90 PRO HD3 H 3.05 0.02 2 901 80 90 PRO C C 171.4 0.2 1 902 80 90 PRO CA C 63.7 0.2 1 903 80 90 PRO CB C 30.5 0.2 1 904 80 90 PRO CG C 23.7 0.2 1 905 80 90 PRO CD C 48.6 0.2 1 906 81 91 ARG H H 7.64 0.02 1 907 81 91 ARG HA H 4.70 0.02 1 908 81 91 ARG HB2 H 1.80 0.02 2 909 81 91 ARG HB3 H 1.70 0.02 2 910 81 91 ARG HG2 H 1.34 0.02 2 911 81 91 ARG HG3 H 1.34 0.02 2 912 81 91 ARG HD2 H 3.19 0.02 2 913 81 91 ARG HD3 H 3.11 0.02 2 914 81 91 ARG HE H 7.35 0.02 1 915 81 91 ARG C C 176.5 0.2 1 916 81 91 ARG CA C 57.4 0.2 1 917 81 91 ARG CB C 34.2 0.2 1 918 81 91 ARG CG C 27.4 0.2 1 919 81 91 ARG CD C 42.9 0.2 1 920 81 91 ARG N N 113.7 0.2 1 921 81 91 ARG NE N 84.2 0.2 1 922 82 92 ARG H H 7.71 0.02 1 923 82 92 ARG HA H 5.70 0.02 1 924 82 92 ARG HB2 H 1.80 0.02 2 925 82 92 ARG HB3 H 1.75 0.02 2 926 82 92 ARG HG2 H 1.54 0.02 2 927 82 92 ARG HG3 H 1.35 0.02 2 928 82 92 ARG HD2 H 3.04 0.02 2 929 82 92 ARG HD3 H 3.04 0.02 2 930 82 92 ARG HE H 6.90 0.02 1 931 82 92 ARG C C 172.7 0.2 1 932 82 92 ARG CA C 55.9 0.2 1 933 82 92 ARG CB C 34.1 0.2 1 934 82 92 ARG CG C 27.2 0.2 1 935 82 92 ARG CD C 43.7 0.2 1 936 82 92 ARG N N 121.0 0.2 1 937 82 92 ARG NE N 82.4 0.2 1 938 83 93 LEU H H 9.08 0.02 1 939 83 93 LEU HA H 5.25 0.02 1 940 83 93 LEU HB2 H 1.87 0.02 2 941 83 93 LEU HB3 H 1.58 0.02 2 942 83 93 LEU HG H 1.41 0.02 1 943 83 93 LEU HD1 H 0.96 0.02 1 944 83 93 LEU HD2 H 0.56 0.02 1 945 83 93 LEU C C 174.0 0.2 1 946 83 93 LEU CA C 53.7 0.2 1 947 83 93 LEU CB C 47.1 0.2 1 948 83 93 LEU CG C 27.9 0.2 1 949 83 93 LEU CD1 C 23.8 0.2 1 950 83 93 LEU CD2 C 26.1 0.2 1 951 83 93 LEU N N 130.8 0.2 1 952 84 94 THR H H 9.31 0.02 1 953 84 94 THR HA H 5.34 0.02 1 954 84 94 THR HB H 3.79 0.02 1 955 84 94 THR HG2 H 1.33 0.02 1 956 84 94 THR C C 174.1 0.2 1 957 84 94 THR CA C 62.7 0.2 1 958 84 94 THR CB C 69.6 0.2 1 959 84 94 THR CG2 C 22.5 0.2 1 960 84 94 THR N N 124.2 0.2 1 961 85 95 ILE H H 9.70 0.02 1 962 85 95 ILE HA H 5.63 0.02 1 963 85 95 ILE HB H 2.88 0.02 1 964 85 95 ILE HG12 H 1.72 0.02 2 965 85 95 ILE HG13 H 1.11 0.02 2 966 85 95 ILE HG2 H 0.89 0.02 1 967 85 95 ILE HD1 H 0.75 0.02 1 968 85 95 ILE C C 175.0 0.2 1 969 85 95 ILE CA C 59.3 0.2 1 970 85 95 ILE CB C 40.9 0.2 1 971 85 95 ILE CG1 C 25.9 0.2 1 972 85 95 ILE CG2 C 18.6 0.2 1 973 85 95 ILE CD1 C 13.4 0.2 1 974 85 95 ILE N N 121.6 0.2 1 975 86 96 SER H H 9.29 0.02 1 976 86 96 SER HA H 5.27 0.02 1 977 86 96 SER HB2 H 4.34 0.02 2 978 86 96 SER HB3 H 4.30 0.02 2 979 86 96 SER C C 172.2 0.2 1 980 86 96 SER CA C 57.6 0.2 1 981 86 96 SER CB C 65.7 0.2 1 982 86 96 SER N N 117.9 0.2 1 983 87 97 TRP H H 7.79 0.02 1 984 87 97 TRP HA H 5.13 0.02 1 985 87 97 TRP HB2 H 3.65 0.02 2 986 87 97 TRP HB3 H 2.63 0.02 2 987 87 97 TRP HD1 H 7.10 0.02 1 988 87 97 TRP HE1 H 10.03 0.02 1 989 87 97 TRP HE3 H 7.74 0.02 1 990 87 97 TRP HZ2 H 7.38 0.02 1 991 87 97 TRP HZ3 H 6.96 0.02 1 992 87 97 TRP HH2 H 7.14 0.02 1 993 87 97 TRP C C 175.5 0.2 1 994 87 97 TRP CA C 57.9 0.2 1 995 87 97 TRP CB C 31.5 0.2 1 996 87 97 TRP CD1 C 124.4 0.2 1 997 87 97 TRP CE3 C 121.0 0.2 1 998 87 97 TRP CZ2 C 115.0 0.2 1 999 87 97 TRP CZ3 C 120.8 0.2 1 1000 87 97 TRP CH2 C 124.9 0.2 1 1001 87 97 TRP N N 120.0 0.2 1 1002 87 97 TRP NE1 N 126.7 0.2 1 1003 88 98 VAL H H 9.62 0.02 1 1004 88 98 VAL HA H 4.46 0.02 1 1005 88 98 VAL HB H 1.91 0.02 1 1006 88 98 VAL HG1 H 0.79 0.02 1 1007 88 98 VAL HG2 H 0.84 0.02 1 1008 88 98 VAL C C 175.1 0.2 1 1009 88 98 VAL CA C 62.0 0.2 1 1010 88 98 VAL CB C 32.5 0.2 1 1011 88 98 VAL CG1 C 20.6 0.2 1 1012 88 98 VAL CG2 C 19.7 0.2 1 1013 88 98 VAL N N 132.2 0.2 1 1014 89 99 TYR H H 9.67 0.02 1 1015 89 99 TYR HA H 4.44 0.02 1 1016 89 99 TYR HB2 H 2.89 0.02 2 1017 89 99 TYR HB3 H 2.44 0.02 2 1018 89 99 TYR HD1 H 6.94 0.02 3 1019 89 99 TYR HD2 H 6.94 0.02 3 1020 89 99 TYR HE1 H 6.76 0.02 3 1021 89 99 TYR HE2 H 6.76 0.02 3 1022 89 99 TYR C C 173.9 0.2 1 1023 89 99 TYR CA C 56.8 0.2 1 1024 89 99 TYR CB C 42.1 0.2 1 1025 89 99 TYR CD1 C 133.0 0.2 3 1026 89 99 TYR CD2 C 133.0 0.2 3 1027 89 99 TYR CE1 C 118.2 0.2 3 1028 89 99 TYR CE2 C 118.2 0.2 3 1029 89 99 TYR N N 130.3 0.2 1 1030 90 100 GLU H H 8.08 0.02 1 1031 90 100 GLU HA H 3.94 0.02 1 1032 90 100 GLU HB2 H 1.81 0.02 2 1033 90 100 GLU HB3 H 1.72 0.02 2 1034 90 100 GLU HG2 H 2.08 0.02 2 1035 90 100 GLU HG3 H 2.08 0.02 2 1036 90 100 GLU C C 176.7 0.2 1 1037 90 100 GLU CA C 58.3 0.2 1 1038 90 100 GLU CB C 29.2 0.2 1 1039 90 100 GLU CG C 35.5 0.2 1 1040 90 100 GLU N N 127.1 0.2 1 1041 91 101 GLY H H 8.85 0.02 1 1042 91 101 GLY HA2 H 4.22 0.02 2 1043 91 101 GLY HA3 H 3.73 0.02 2 1044 91 101 GLY C C 173.9 0.2 1 1045 91 101 GLY CA C 45.2 0.2 1 1046 91 101 GLY N N 113.1 0.2 1 1047 92 102 LYS H H 8.27 0.02 1 1048 92 102 LYS HA H 4.99 0.02 1 1049 92 102 LYS HB2 H 2.05 0.02 2 1050 92 102 LYS HB3 H 1.94 0.02 2 1051 92 102 LYS HG2 H 1.44 0.02 2 1052 92 102 LYS HG3 H 1.44 0.02 2 1053 92 102 LYS HD2 H 1.73 0.02 2 1054 92 102 LYS HD3 H 1.53 0.02 2 1055 92 102 LYS HE2 H 2.86 0.02 2 1056 92 102 LYS HE3 H 2.86 0.02 2 1057 92 102 LYS CA C 52.5 0.2 1 1058 92 102 LYS CB C 33.2 0.2 1 1059 92 102 LYS CG C 25.3 0.2 1 1060 92 102 LYS CD C 28.6 0.2 1 1061 92 102 LYS CE C 42.3 0.2 1 1062 92 102 LYS N N 120.1 0.2 1 1063 93 103 PRO HA H 4.62 0.02 1 1064 93 103 PRO HB2 H 1.97 0.02 2 1065 93 103 PRO HB3 H 2.29 0.02 2 1066 93 103 PRO HG2 H 2.12 0.02 2 1067 93 103 PRO HG3 H 2.03 0.02 2 1068 93 103 PRO HD2 H 3.86 0.02 2 1069 93 103 PRO HD3 H 3.77 0.02 2 1070 93 103 PRO C C 176.7 0.2 1 1071 93 103 PRO CA C 62.4 0.2 1 1072 93 103 PRO CB C 31.4 0.2 1 1073 93 103 PRO CG C 27.6 0.2 1 1074 93 103 PRO CD C 49.9 0.2 1 1075 94 104 ASP H H 8.85 0.02 1 1076 94 104 ASP HA H 4.86 0.02 1 1077 94 104 ASP HB2 H 2.81 0.02 2 1078 94 104 ASP HB3 H 2.72 0.02 2 1079 94 104 ASP C C 177.1 0.2 1 1080 94 104 ASP CA C 55.9 0.2 1 1081 94 104 ASP CB C 40.5 0.2 1 1082 94 104 ASP N N 124.5 0.2 1 1083 95 105 SER H H 9.26 0.02 1 1084 95 105 SER HA H 5.28 0.02 1 1085 95 105 SER HB2 H 4.99 0.02 2 1086 95 105 SER HB3 H 4.10 0.02 2 1087 95 105 SER C C 173.7 0.2 1 1088 95 105 SER CA C 57.9 0.2 1 1089 95 105 SER CB C 65.6 0.2 1 1090 95 105 SER N N 118.6 0.2 1 1091 96 106 GLU H H 8.62 0.02 1 1092 96 106 GLU HA H 5.18 0.02 1 1093 96 106 GLU HB2 H 1.98 0.02 2 1094 96 106 GLU HB3 H 1.86 0.02 2 1095 96 106 GLU HG2 H 2.28 0.02 2 1096 96 106 GLU HG3 H 1.82 0.02 2 1097 96 106 GLU C C 172.4 0.2 1 1098 96 106 GLU CA C 57.2 0.2 1 1099 96 106 GLU CB C 36.1 0.2 1 1100 96 106 GLU CG C 38.1 0.2 1 1101 96 106 GLU N N 124.1 0.2 1 1102 97 107 VAL H H 9.18 0.02 1 1103 97 107 VAL HA H 4.77 0.02 1 1104 97 107 VAL HB H 1.46 0.02 1 1105 97 107 VAL HG1 H 0.20 0.02 1 1106 97 107 VAL HG2 H -0.34 0.02 1 1107 97 107 VAL C C 173.1 0.2 1 1108 97 107 VAL CA C 60.1 0.2 1 1109 97 107 VAL CB C 34.2 0.2 1 1110 97 107 VAL CG1 C 21.0 0.2 1 1111 97 107 VAL CG2 C 20.0 0.2 1 1112 97 107 VAL N N 128.1 0.2 1 1113 98 108 GLU H H 9.30 0.02 1 1114 98 108 GLU HA H 5.58 0.02 1 1115 98 108 GLU HB2 H 1.85 0.02 2 1116 98 108 GLU HB3 H 1.85 0.02 2 1117 98 108 GLU HG2 H 2.48 0.02 2 1118 98 108 GLU HG3 H 2.48 0.02 2 1119 98 108 GLU C C 172.1 0.2 1 1120 98 108 GLU CA C 54.2 0.2 1 1121 98 108 GLU CB C 35.2 0.2 1 1122 98 108 GLU CG C 38.2 0.2 1 1123 98 108 GLU N N 126.2 0.2 1 1124 99 109 LEU H H 9.33 0.02 1 1125 99 109 LEU HA H 5.08 0.02 1 1126 99 109 LEU HB2 H 1.87 0.02 2 1127 99 109 LEU HB3 H 1.07 0.02 2 1128 99 109 LEU HG H 1.35 0.02 1 1129 99 109 LEU HD1 H 0.72 0.02 2 1130 99 109 LEU HD2 H 0.80 0.02 2 1131 99 109 LEU C C 175.1 0.2 1 1132 99 109 LEU CA C 52.7 0.2 1 1133 99 109 LEU CB C 46.4 0.2 1 1134 99 109 LEU CG C 27.6 0.2 1 1135 99 109 LEU CD1 C 25.9 0.2 2 1136 99 109 LEU CD2 C 23.3 0.2 2 1137 99 109 LEU N N 128.6 0.2 1 1138 100 110 ARG H H 9.43 0.02 1 1139 100 110 ARG HA H 5.39 0.02 1 1140 100 110 ARG HB2 H 1.90 0.02 2 1141 100 110 ARG HB3 H 1.76 0.02 2 1142 100 110 ARG HG2 H 1.53 0.02 2 1143 100 110 ARG HG3 H 1.39 0.02 2 1144 100 110 ARG HD2 H 3.48 0.02 2 1145 100 110 ARG HD3 H 3.06 0.02 2 1146 100 110 ARG HE H 7.31 0.02 1 1147 100 110 ARG C C 175.4 0.2 1 1148 100 110 ARG CA C 54.6 0.2 1 1149 100 110 ARG CB C 34.1 0.2 1 1150 100 110 ARG CG C 29.1 0.2 1 1151 100 110 ARG CD C 43.4 0.2 1 1152 100 110 ARG N N 124.7 0.2 1 1153 100 110 ARG NE N 82.7 0.2 1 1154 101 111 LEU H H 9.12 0.02 1 1155 101 111 LEU HA H 5.62 0.02 1 1156 101 111 LEU HB2 H 2.39 0.02 2 1157 101 111 LEU HB3 H 1.32 0.02 2 1158 101 111 LEU HG H 1.67 0.02 1 1159 101 111 LEU HD1 H 1.25 0.02 1 1160 101 111 LEU HD2 H 0.96 0.02 1 1161 101 111 LEU C C 177.1 0.2 1 1162 101 111 LEU CA C 53.0 0.2 1 1163 101 111 LEU CB C 44.9 0.2 1 1164 101 111 LEU CG C 27.2 0.2 1 1165 101 111 LEU CD1 C 26.4 0.2 1 1166 101 111 LEU CD2 C 24.9 0.2 1 1167 101 111 LEU N N 122.9 0.2 1 1168 102 112 SER H H 8.77 0.02 1 1169 102 112 SER HA H 4.69 0.02 1 1170 102 112 SER HB2 H 3.91 0.02 2 1171 102 112 SER HB3 H 3.81 0.02 2 1172 102 112 SER C C 172.7 0.2 1 1173 102 112 SER CA C 57.0 0.2 1 1174 102 112 SER CB C 65.7 0.2 1 1175 102 112 SER N N 113.8 0.2 1 1176 103 113 GLU H H 9.20 0.02 1 1177 103 113 GLU HA H 4.44 0.02 1 1178 103 113 GLU HB2 H 2.06 0.02 2 1179 103 113 GLU HB3 H 2.06 0.02 2 1180 103 113 GLU HG2 H 2.46 0.02 2 1181 103 113 GLU HG3 H 2.40 0.02 2 1182 103 113 GLU C C 176.6 0.2 1 1183 103 113 GLU CA C 57.5 0.2 1 1184 103 113 GLU CB C 30.2 0.2 1 1185 103 113 GLU CG C 36.8 0.2 1 1186 103 113 GLU N N 123.4 0.2 1 1187 104 114 GLU H H 8.11 0.02 1 1188 104 114 GLU HA H 4.45 0.02 1 1189 104 114 GLU HB2 H 1.80 0.02 2 1190 104 114 GLU HB3 H 1.74 0.02 2 1191 104 114 GLU HG2 H 2.09 0.02 2 1192 104 114 GLU HG3 H 2.02 0.02 2 1193 104 114 GLU C C 175.6 0.2 1 1194 104 114 GLU CA C 55.7 0.2 1 1195 104 114 GLU CB C 31.3 0.2 1 1196 104 114 GLU CG C 36.6 0.2 1 1197 104 114 GLU N N 126.5 0.2 1 1198 105 115 GLY H H 9.03 0.02 1 1199 105 115 GLY HA2 H 3.96 0.02 2 1200 105 115 GLY HA3 H 3.64 0.02 2 1201 105 115 GLY C C 174.7 0.2 1 1202 105 115 GLY CA C 47.1 0.2 1 1203 105 115 GLY N N 118.0 0.2 1 1204 106 116 ASP H H 8.80 0.02 1 1205 106 116 ASP HA H 4.75 0.02 1 1206 106 116 ASP HB2 H 2.82 0.02 2 1207 106 116 ASP HB3 H 2.62 0.02 2 1208 106 116 ASP C C 175.6 0.2 1 1209 106 116 ASP CA C 54.3 0.2 1 1210 106 116 ASP CB C 40.8 0.2 1 1211 106 116 ASP N N 126.2 0.2 1 1212 107 117 GLY H H 8.04 0.02 1 1213 107 117 GLY HA2 H 4.68 0.02 2 1214 107 117 GLY HA3 H 4.01 0.02 2 1215 107 117 GLY C C 174.4 0.2 1 1216 107 117 GLY CA C 44.8 0.2 1 1217 107 117 GLY N N 109.5 0.2 1 1218 108 118 THR H H 9.01 0.02 1 1219 108 118 THR HA H 4.97 0.02 1 1220 108 118 THR HB H 3.84 0.02 1 1221 108 118 THR HG1 H 5.60 0.02 1 1222 108 118 THR HG2 H 1.18 0.02 1 1223 108 118 THR C C 173.0 0.2 1 1224 108 118 THR CA C 63.5 0.2 1 1225 108 118 THR CB C 73.0 0.2 1 1226 108 118 THR CG2 C 22.6 0.2 1 1227 108 118 THR N N 120.4 0.2 1 1228 109 119 LEU H H 9.41 0.02 1 1229 109 119 LEU HA H 4.79 0.02 1 1230 109 119 LEU HB2 H 1.89 0.02 2 1231 109 119 LEU HB3 H 1.22 0.02 2 1232 109 119 LEU HG H 1.37 0.02 1 1233 109 119 LEU HD1 H 0.75 0.02 1 1234 109 119 LEU HD2 H 0.77 0.02 1 1235 109 119 LEU C C 173.5 0.2 1 1236 109 119 LEU CA C 54.3 0.2 1 1237 109 119 LEU CB C 42.9 0.2 1 1238 109 119 LEU CG C 27.5 0.2 1 1239 109 119 LEU CD1 C 23.5 0.2 1 1240 109 119 LEU CD2 C 25.5 0.2 1 1241 109 119 LEU N N 129.0 0.2 1 1242 110 120 LEU H H 9.43 0.02 1 1243 110 120 LEU HA H 4.82 0.02 1 1244 110 120 LEU HB2 H 1.80 0.02 2 1245 110 120 LEU HB3 H 1.36 0.02 2 1246 110 120 LEU HG H 0.56 0.02 1 1247 110 120 LEU HD1 H 1.36 0.02 1 1248 110 120 LEU HD2 H 0.64 0.02 1 1249 110 120 LEU C C 174.1 0.2 1 1250 110 120 LEU CA C 54.9 0.2 1 1251 110 120 LEU CB C 45.3 0.2 1 1252 110 120 LEU CG C 27.4 0.2 1 1253 110 120 LEU CD1 C 27.4 0.2 1 1254 110 120 LEU CD2 C 25.1 0.2 1 1255 110 120 LEU N N 132.2 0.2 1 1256 111 121 GLU H H 8.97 0.02 1 1257 111 121 GLU HA H 5.53 0.02 1 1258 111 121 GLU HB2 H 1.99 0.02 2 1259 111 121 GLU HB3 H 1.87 0.02 2 1260 111 121 GLU HG2 H 2.21 0.02 2 1261 111 121 GLU HG3 H 1.93 0.02 2 1262 111 121 GLU C C 173.5 0.2 1 1263 111 121 GLU CA C 54.5 0.2 1 1264 111 121 GLU CB C 33.1 0.2 1 1265 111 121 GLU CG C 37.8 0.2 1 1266 111 121 GLU N N 125.8 0.2 1 1267 112 122 LEU H H 8.95 0.02 1 1268 112 122 LEU HA H 5.03 0.02 1 1269 112 122 LEU HB2 H 1.31 0.02 2 1270 112 122 LEU HB3 H 1.00 0.02 2 1271 112 122 LEU HG H 0.72 0.02 1 1272 112 122 LEU HD1 H -0.18 0.02 1 1273 112 122 LEU HD2 H -0.28 0.02 1 1274 112 122 LEU C C 173.7 0.2 1 1275 112 122 LEU CA C 53.2 0.2 1 1276 112 122 LEU CB C 45.4 0.2 1 1277 112 122 LEU CG C 27.8 0.2 1 1278 112 122 LEU CD1 C 24.8 0.2 1 1279 112 122 LEU CD2 C 23.4 0.2 1 1280 112 122 LEU N N 127.3 0.2 1 1281 113 123 GLU H H 9.35 0.02 1 1282 113 123 GLU HA H 5.75 0.02 1 1283 113 123 GLU HB2 H 1.87 0.02 2 1284 113 123 GLU HB3 H 1.63 0.02 2 1285 113 123 GLU HG2 H 2.33 0.02 2 1286 113 123 GLU HG3 H 1.90 0.02 2 1287 113 123 GLU C C 174.2 0.2 1 1288 113 123 GLU CA C 52.9 0.2 1 1289 113 123 GLU CB C 33.3 0.2 1 1290 113 123 GLU CG C 35.6 0.2 1 1291 113 123 GLU N N 127.9 0.2 1 1292 114 124 HIS H H 8.77 0.02 1 1293 114 124 HIS HA H 5.24 0.02 1 1294 114 124 HIS HB2 H 3.19 0.02 2 1295 114 124 HIS HB3 H 2.35 0.02 2 1296 114 124 HIS HD2 H 6.68 0.02 1 1297 114 124 HIS HE1 H 6.31 0.02 1 1298 114 124 HIS HE2 H 11.41 0.02 1 1299 114 124 HIS C C 173.9 0.2 1 1300 114 124 HIS CA C 54.3 0.2 1 1301 114 124 HIS CB C 34.6 0.2 1 1302 114 124 HIS CD2 C 114.7 0.2 1 1303 114 124 HIS CE1 C 136.1 0.2 1 1304 114 124 HIS N N 128.2 0.2 1 1305 114 124 HIS ND1 N 255.4 0.2 1 1306 114 124 HIS NE2 N 162.4 0.2 1 1307 115 125 ALA H H 9.36 0.02 1 1308 115 125 ALA HA H 5.15 0.02 1 1309 115 125 ALA HB H 1.22 0.02 1 1310 115 125 ALA C C 175.4 0.2 1 1311 115 125 ALA CA C 50.1 0.2 1 1312 115 125 ALA CB C 22.5 0.2 1 1313 115 125 ALA N N 128.6 0.2 1 1314 116 126 THR H H 8.76 0.02 1 1315 116 126 THR HA H 4.96 0.02 1 1316 116 126 THR HB H 4.39 0.02 1 1317 116 126 THR HG2 H 1.06 0.02 1 1318 116 126 THR C C 172.2 0.2 1 1319 116 126 THR CA C 58.8 0.2 1 1320 116 126 THR CB C 69.2 0.2 1 1321 116 126 THR CG2 C 19.2 0.2 1 1322 116 126 THR N N 115.8 0.2 1 1323 117 127 THR H H 8.46 0.02 1 1324 117 127 THR HA H 4.39 0.02 1 1325 117 127 THR HB H 4.58 0.02 1 1326 117 127 THR HG2 H 1.07 0.02 1 1327 117 127 THR C C 174.4 0.2 1 1328 117 127 THR CA C 62.9 0.2 1 1329 117 127 THR CB C 68.8 0.2 1 1330 117 127 THR CG2 C 21.9 0.2 1 1331 117 127 THR N N 116.0 0.2 1 1332 118 128 SER H H 7.73 0.02 1 1333 118 128 SER HA H 4.89 0.02 1 1334 118 128 SER HB2 H 3.90 0.02 2 1335 118 128 SER HB3 H 3.68 0.02 2 1336 118 128 SER C C 174.7 0.2 1 1337 118 128 SER CA C 55.4 0.2 1 1338 118 128 SER CB C 63.0 0.2 1 1339 118 128 SER N N 116.4 0.2 1 1340 119 129 GLU H H 9.00 0.02 1 1341 119 129 GLU HA H 3.94 0.02 1 1342 119 129 GLU HB2 H 2.14 0.02 2 1343 119 129 GLU HB3 H 2.08 0.02 2 1344 119 129 GLU HG2 H 2.35 0.02 2 1345 119 129 GLU HG3 H 2.22 0.02 2 1346 119 129 GLU C C 178.4 0.2 1 1347 119 129 GLU CA C 59.9 0.2 1 1348 119 129 GLU CB C 29.7 0.2 1 1349 119 129 GLU CG C 37.1 0.2 1 1350 119 129 GLU N N 130.3 0.2 1 1351 120 130 GLN H H 8.41 0.02 1 1352 120 130 GLN HA H 4.12 0.02 1 1353 120 130 GLN HB2 H 2.09 0.02 2 1354 120 130 GLN HB3 H 1.98 0.02 2 1355 120 130 GLN HG2 H 2.44 0.02 2 1356 120 130 GLN HG3 H 2.44 0.02 2 1357 120 130 GLN HE21 H 6.95 0.02 1 1358 120 130 GLN HE22 H 7.68 0.02 1 1359 120 130 GLN C C 177.9 0.2 1 1360 120 130 GLN CA C 58.4 0.2 1 1361 120 130 GLN CB C 28.0 0.2 1 1362 120 130 GLN CG C 33.9 0.2 1 1363 120 130 GLN CD C 180.3 0.2 1 1364 120 130 GLN N N 117.3 0.2 1 1365 120 130 GLN NE2 N 112.5 0.2 1 1366 121 131 MET H H 7.64 0.02 1 1367 121 131 MET HA H 4.24 0.02 1 1368 121 131 MET HB2 H 2.23 0.02 2 1369 121 131 MET HB3 H 1.99 0.02 2 1370 121 131 MET HG2 H 2.71 0.02 2 1371 121 131 MET HG3 H 2.49 0.02 2 1372 121 131 MET HE H 2.18 0.02 1 1373 121 131 MET C C 176.4 0.2 1 1374 121 131 MET CA C 57.3 0.2 1 1375 121 131 MET CB C 32.4 0.2 1 1376 121 131 MET CG C 33.5 0.2 1 1377 121 131 MET CE C 17.5 0.2 1 1378 121 131 MET N N 118.3 0.2 1 1379 122 132 LEU H H 7.47 0.02 1 1380 122 132 LEU HA H 3.63 0.02 1 1381 122 132 LEU HB2 H 2.02 0.02 2 1382 122 132 LEU HB3 H 1.18 0.02 2 1383 122 132 LEU HG H 1.78 0.02 1 1384 122 132 LEU HD1 H 0.94 0.02 1 1385 122 132 LEU HD2 H 0.80 0.02 1 1386 122 132 LEU C C 177.1 0.2 1 1387 122 132 LEU CA C 58.3 0.2 1 1388 122 132 LEU CB C 41.9 0.2 1 1389 122 132 LEU CG C 26.8 0.2 1 1390 122 132 LEU CD1 C 26.4 0.2 1 1391 122 132 LEU CD2 C 23.3 0.2 1 1392 122 132 LEU N N 118.7 0.2 1 1393 123 133 VAL H H 7.04 0.02 1 1394 123 133 VAL HA H 3.36 0.02 1 1395 123 133 VAL HB H 2.15 0.02 1 1396 123 133 VAL HG1 H 1.11 0.02 1 1397 123 133 VAL HG2 H 1.03 0.02 1 1398 123 133 VAL C C 176.7 0.2 1 1399 123 133 VAL CA C 66.6 0.2 1 1400 123 133 VAL CB C 31.8 0.2 1 1401 123 133 VAL CG1 C 21.3 0.2 1 1402 123 133 VAL CG2 C 22.3 0.2 1 1403 123 133 VAL N N 114.6 0.2 1 1404 124 134 GLU H H 7.20 0.02 1 1405 124 134 GLU HA H 3.90 0.02 1 1406 124 134 GLU HB2 H 2.03 0.02 2 1407 124 134 GLU HB3 H 1.95 0.02 2 1408 124 134 GLU HG2 H 2.32 0.02 2 1409 124 134 GLU HG3 H 2.14 0.02 2 1410 124 134 GLU C C 180.7 0.2 1 1411 124 134 GLU CA C 59.3 0.2 1 1412 124 134 GLU CB C 29.9 0.2 1 1413 124 134 GLU CG C 36.1 0.2 1 1414 124 134 GLU N N 116.7 0.2 1 1415 125 135 VAL H H 8.62 0.02 1 1416 125 135 VAL HA H 3.93 0.02 1 1417 125 135 VAL HB H 1.92 0.02 1 1418 125 135 VAL HG1 H 0.44 0.02 1 1419 125 135 VAL HG2 H 0.53 0.02 1 1420 125 135 VAL C C 177.9 0.2 1 1421 125 135 VAL CA C 63.8 0.2 1 1422 125 135 VAL CB C 30.4 0.2 1 1423 125 135 VAL CG1 C 22.0 0.2 1 1424 125 135 VAL CG2 C 18.6 0.2 1 1425 125 135 VAL N N 114.7 0.2 1 1426 126 136 GLY H H 7.75 0.02 1 1427 126 136 GLY HA2 H 3.16 0.02 2 1428 126 136 GLY HA3 H 1.84 0.02 2 1429 126 136 GLY C C 174.8 0.2 1 1430 126 136 GLY CA C 47.2 0.2 1 1431 126 136 GLY N N 112.2 0.2 1 1432 127 137 VAL H H 7.68 0.02 1 1433 127 137 VAL HA H 3.51 0.02 1 1434 127 137 VAL HB H 2.07 0.02 1 1435 127 137 VAL HG1 H 1.04 0.02 1 1436 127 137 VAL HG2 H 1.22 0.02 1 1437 127 137 VAL C C 179.1 0.2 1 1438 127 137 VAL CA C 67.4 0.2 1 1439 127 137 VAL CB C 32.5 0.2 1 1440 127 137 VAL CG1 C 21.8 0.2 1 1441 127 137 VAL CG2 C 23.9 0.2 1 1442 127 137 VAL N N 119.1 0.2 1 1443 128 138 GLY H H 8.21 0.02 1 1444 128 138 GLY HA2 H 3.78 0.02 2 1445 128 138 GLY HA3 H 3.78 0.02 2 1446 128 138 GLY C C 177.9 0.2 1 1447 128 138 GLY CA C 47.3 0.2 1 1448 128 138 GLY N N 106.3 0.2 1 1449 129 139 TRP H H 8.88 0.02 1 1450 129 139 TRP HA H 4.89 0.02 1 1451 129 139 TRP HB2 H 3.15 0.02 2 1452 129 139 TRP HB3 H 2.95 0.02 2 1453 129 139 TRP HD1 H 6.76 0.02 1 1454 129 139 TRP HE1 H 12.94 0.02 1 1455 129 139 TRP HE3 H 7.30 0.02 1 1456 129 139 TRP HZ2 H 5.96 0.02 1 1457 129 139 TRP HZ3 H 6.31 0.02 1 1458 129 139 TRP HH2 H 6.70 0.02 1 1459 129 139 TRP C C 179.1 0.2 1 1460 129 139 TRP CA C 59.8 0.2 1 1461 129 139 TRP CB C 30.1 0.2 1 1462 129 139 TRP CD1 C 127.6 0.2 1 1463 129 139 TRP CE3 C 119.7 0.2 1 1464 129 139 TRP CZ2 C 115.1 0.2 1 1465 129 139 TRP CZ3 C 120.5 0.2 1 1466 129 139 TRP CH2 C 123.7 0.2 1 1467 129 139 TRP N N 122.5 0.2 1 1468 129 139 TRP NE1 N 137.0 0.2 1 1469 130 140 GLU H H 8.21 0.02 1 1470 130 140 GLU HA H 4.02 0.02 1 1471 130 140 GLU HB2 H 2.40 0.02 2 1472 130 140 GLU HB3 H 2.17 0.02 2 1473 130 140 GLU HG2 H 3.17 0.02 2 1474 130 140 GLU HG3 H 2.05 0.02 2 1475 130 140 GLU C C 179.3 0.2 1 1476 130 140 GLU CA C 62.9 0.2 1 1477 130 140 GLU CB C 30.6 0.2 1 1478 130 140 GLU CG C 40.5 0.2 1 1479 130 140 GLU N N 119.0 0.2 1 1480 131 141 MET H H 8.21 0.02 1 1481 131 141 MET HA H 4.33 0.02 1 1482 131 141 MET HB2 H 2.39 0.02 2 1483 131 141 MET HB3 H 2.39 0.02 2 1484 131 141 MET HG2 H 2.97 0.02 2 1485 131 141 MET HG3 H 2.83 0.02 2 1486 131 141 MET HE H 2.17 0.02 1 1487 131 141 MET C C 178.5 0.2 1 1488 131 141 MET CA C 57.7 0.2 1 1489 131 141 MET CB C 30.6 0.2 1 1490 131 141 MET CG C 31.4 0.2 1 1491 131 141 MET CE C 16.4 0.2 1 1492 131 141 MET N N 117.1 0.2 1 1493 132 142 ALA H H 7.91 0.02 1 1494 132 142 ALA HA H 4.72 0.02 1 1495 132 142 ALA HB H 1.77 0.02 1 1496 132 142 ALA C C 180.9 0.2 1 1497 132 142 ALA CA C 55.7 0.2 1 1498 132 142 ALA CB C 18.2 0.2 1 1499 132 142 ALA N N 121.4 0.2 1 1500 133 143 LEU H H 9.19 0.02 1 1501 133 143 LEU HA H 4.15 0.02 1 1502 133 143 LEU HB2 H 2.03 0.02 2 1503 133 143 LEU HB3 H 1.85 0.02 2 1504 133 143 LEU HG H 2.10 0.02 1 1505 133 143 LEU HD1 H 0.72 0.02 1 1506 133 143 LEU HD2 H 0.78 0.02 1 1507 133 143 LEU C C 180.3 0.2 1 1508 133 143 LEU CA C 57.3 0.2 1 1509 133 143 LEU CB C 40.6 0.2 1 1510 133 143 LEU CG C 27.6 0.2 1 1511 133 143 LEU CD1 C 22.6 0.2 1 1512 133 143 LEU CD2 C 25.5 0.2 1 1513 133 143 LEU N N 117.2 0.2 1 1514 134 144 ASP H H 7.93 0.02 1 1515 134 144 ASP HA H 4.58 0.02 1 1516 134 144 ASP HB2 H 3.04 0.02 2 1517 134 144 ASP HB3 H 2.40 0.02 2 1518 134 144 ASP C C 179.9 0.2 1 1519 134 144 ASP CA C 57.8 0.2 1 1520 134 144 ASP CB C 39.8 0.2 1 1521 134 144 ASP N N 122.6 0.2 1 1522 135 145 PHE H H 7.69 0.02 1 1523 135 145 PHE HA H 4.58 0.02 1 1524 135 145 PHE HB2 H 4.07 0.02 2 1525 135 145 PHE HB3 H 3.70 0.02 2 1526 135 145 PHE HD1 H 7.74 0.02 3 1527 135 145 PHE HD2 H 7.74 0.02 3 1528 135 145 PHE HE1 H 7.42 0.02 3 1529 135 145 PHE HE2 H 7.42 0.02 3 1530 135 145 PHE HZ H 7.25 0.02 1 1531 135 145 PHE C C 178.0 0.2 1 1532 135 145 PHE CA C 61.7 0.2 1 1533 135 145 PHE CB C 39.4 0.2 1 1534 135 145 PHE CD1 C 132.4 0.2 3 1535 135 145 PHE CD2 C 132.4 0.2 3 1536 135 145 PHE CE1 C 131.5 0.2 3 1537 135 145 PHE CE2 C 131.5 0.2 3 1538 135 145 PHE CZ C 129.8 0.2 1 1539 135 145 PHE N N 119.3 0.2 1 1540 136 146 LEU H H 7.93 0.02 1 1541 136 146 LEU HA H 3.20 0.02 1 1542 136 146 LEU HB2 H 1.55 0.02 2 1543 136 146 LEU HB3 H -0.30 0.02 2 1544 136 146 LEU HG H 0.72 0.02 1 1545 136 146 LEU HD1 H -0.22 0.02 1 1546 136 146 LEU HD2 H 0.09 0.02 1 1547 136 146 LEU C C 178.8 0.2 1 1548 136 146 LEU CA C 58.4 0.2 1 1549 136 146 LEU CB C 38.8 0.2 1 1550 136 146 LEU CG C 26.4 0.2 1 1551 136 146 LEU CD1 C 21.6 0.2 1 1552 136 146 LEU CD2 C 25.5 0.2 1 1553 136 146 LEU N N 124.4 0.2 1 1554 137 147 GLY H H 8.34 0.02 1 1555 137 147 GLY HA2 H 4.09 0.02 2 1556 137 147 GLY HA3 H 3.70 0.02 2 1557 137 147 GLY C C 176.1 0.2 1 1558 137 147 GLY CA C 47.9 0.2 1 1559 137 147 GLY N N 104.2 0.2 1 1560 138 148 MET H H 7.55 0.02 1 1561 138 148 MET HA H 4.09 0.02 1 1562 138 148 MET HB2 H 2.41 0.02 2 1563 138 148 MET HB3 H 2.08 0.02 2 1564 138 148 MET HG2 H 2.77 0.02 2 1565 138 148 MET HG3 H 2.64 0.02 2 1566 138 148 MET HE H 1.89 0.02 1 1567 138 148 MET C C 177.7 0.2 1 1568 138 148 MET CA C 59.4 0.2 1 1569 138 148 MET CB C 34.5 0.2 1 1570 138 148 MET CG C 32.6 0.2 1 1571 138 148 MET CE C 17.3 0.2 1 1572 138 148 MET N N 119.3 0.2 1 1573 139 149 PHE H H 8.60 0.02 1 1574 139 149 PHE HA H 4.38 0.02 1 1575 139 149 PHE HB2 H 3.34 0.02 2 1576 139 149 PHE HB3 H 3.28 0.02 2 1577 139 149 PHE HD1 H 7.14 0.02 3 1578 139 149 PHE HD2 H 7.14 0.02 3 1579 139 149 PHE HE1 H 7.42 0.02 3 1580 139 149 PHE HE2 H 7.42 0.02 3 1581 139 149 PHE HZ H 7.36 0.02 1 1582 139 149 PHE C C 179.1 0.2 1 1583 139 149 PHE CA C 60.8 0.2 1 1584 139 149 PHE CB C 39.2 0.2 1 1585 139 149 PHE CD1 C 131.5 0.2 3 1586 139 149 PHE CD2 C 131.5 0.2 3 1587 139 149 PHE CE1 C 131.4 0.2 3 1588 139 149 PHE CE2 C 131.4 0.2 3 1589 139 149 PHE CZ C 129.8 0.2 1 1590 139 149 PHE N N 120.4 0.2 1 1591 140 150 ILE H H 8.78 0.02 1 1592 140 150 ILE HA H 3.42 0.02 1 1593 140 150 ILE HB H 1.85 0.02 1 1594 140 150 ILE HG12 H 1.30 0.02 2 1595 140 150 ILE HG13 H 1.13 0.02 2 1596 140 150 ILE HG2 H 0.77 0.02 1 1597 140 150 ILE HD1 H 0.35 0.02 1 1598 140 150 ILE C C 177.5 0.2 1 1599 140 150 ILE CA C 63.1 0.2 1 1600 140 150 ILE CB C 37.1 0.2 1 1601 140 150 ILE CG1 C 28.4 0.2 1 1602 140 150 ILE CG2 C 17.5 0.2 1 1603 140 150 ILE CD1 C 11.9 0.2 1 1604 140 150 ILE N N 121.3 0.2 1 1605 141 151 ARG H H 7.73 0.02 1 1606 141 151 ARG HA H 4.22 0.02 1 1607 141 151 ARG HB2 H 1.92 0.02 2 1608 141 151 ARG HB3 H 1.87 0.02 2 1609 141 151 ARG HG2 H 1.86 0.02 2 1610 141 151 ARG HG3 H 1.67 0.02 2 1611 141 151 ARG HD2 H 3.28 0.02 2 1612 141 151 ARG HD3 H 3.18 0.02 2 1613 141 151 ARG HE H 7.62 0.02 1 1614 141 151 ARG C C 176.7 0.2 1 1615 141 151 ARG CA C 57.5 0.2 1 1616 141 151 ARG CB C 31.5 0.2 1 1617 141 151 ARG CG C 28.3 0.2 1 1618 141 151 ARG CD C 43.5 0.2 1 1619 141 151 ARG N N 116.5 0.2 1 1620 141 151 ARG NE N 84.5 0.2 1 1621 142 152 GLY H H 7.57 0.02 1 1622 142 152 GLY HA2 H 4.15 0.02 2 1623 142 152 GLY HA3 H 3.82 0.02 2 1624 142 152 GLY C C 174.9 0.2 1 1625 142 152 GLY CA C 45.7 0.2 1 1626 142 152 GLY N N 106.8 0.2 1 1627 143 153 ASP H H 8.29 0.02 1 1628 143 153 ASP HA H 4.78 0.02 1 1629 143 153 ASP HB2 H 2.86 0.02 2 1630 143 153 ASP HB3 H 2.44 0.02 2 1631 143 153 ASP C C 175.4 0.2 1 1632 143 153 ASP CA C 54.2 0.2 1 1633 143 153 ASP CB C 42.1 0.2 1 1634 143 153 ASP N N 119.4 0.2 1 1635 144 154 LEU H H 8.01 0.02 1 1636 144 154 LEU HA H 4.81 0.02 1 1637 144 154 LEU HB2 H 1.84 0.02 2 1638 144 154 LEU HB3 H 1.64 0.02 2 1639 144 154 LEU HG H 1.65 0.02 1 1640 144 154 LEU HD1 H 1.24 0.02 1 1641 144 154 LEU HD2 H 1.16 0.02 1 1642 144 154 LEU CA C 52.8 0.2 1 1643 144 154 LEU CB C 42.5 0.2 1 1644 144 154 LEU CG C 27.3 0.2 1 1645 144 154 LEU CD1 C 26.0 0.2 1 1646 144 154 LEU CD2 C 24.7 0.2 1 1647 144 154 LEU N N 121.3 0.2 1 1648 145 155 PRO HA H 4.48 0.02 1 1649 145 155 PRO HB2 H 2.03 0.02 2 1650 145 155 PRO HB3 H 2.33 0.02 2 1651 145 155 PRO HG2 H 2.06 0.02 2 1652 145 155 PRO HG3 H 2.06 0.02 2 1653 145 155 PRO HD2 H 3.86 0.02 2 1654 145 155 PRO HD3 H 3.73 0.02 2 1655 145 155 PRO C C 177.6 0.2 1 1656 145 155 PRO CA C 63.5 0.2 1 1657 145 155 PRO CB C 32.2 0.2 1 1658 145 155 PRO CG C 27.6 0.2 1 1659 145 155 PRO CD C 50.7 0.2 1 1660 146 156 GLY H H 8.53 0.02 1 1661 146 156 GLY HA2 H 4.13 0.02 2 1662 146 156 GLY HA3 H 3.96 0.02 2 1663 146 156 GLY C C 174.3 0.2 1 1664 146 156 GLY CA C 45.1 0.2 1 1665 146 156 GLY N N 108.9 0.2 1 1666 147 157 GLY H H 8.08 0.02 1 1667 147 157 GLY HA2 H 4.15 0.02 2 1668 147 157 GLY HA3 H 4.15 0.02 2 1669 147 157 GLY CA C 44.5 0.2 1 1670 147 157 GLY N N 108.8 0.2 1 1671 148 158 PRO HA H 4.44 0.02 1 1672 148 158 PRO HB2 H 1.87 0.02 2 1673 148 158 PRO HB3 H 2.18 0.02 2 1674 148 158 PRO HG2 H 1.97 0.02 2 1675 148 158 PRO HG3 H 1.97 0.02 2 1676 148 158 PRO HD2 H 3.63 0.02 2 1677 148 158 PRO HD3 H 3.58 0.02 2 1678 148 158 PRO C C 176.8 0.2 1 1679 148 158 PRO CA C 63.0 0.2 1 1680 148 158 PRO CB C 32.1 0.2 1 1681 148 158 PRO CG C 27.2 0.2 1 1682 148 158 PRO CD C 49.6 0.2 1 1683 149 159 VAL H H 8.22 0.02 1 1684 149 159 VAL HA H 4.39 0.02 1 1685 149 159 VAL HB H 2.07 0.02 1 1686 149 159 VAL HG1 H 0.94 0.02 1 1687 149 159 VAL HG2 H 0.91 0.02 1 1688 149 159 VAL CA C 59.8 0.2 1 1689 149 159 VAL CB C 32.6 0.2 1 1690 149 159 VAL CG1 C 21.1 0.2 1 1691 149 159 VAL CG2 C 20.3 0.2 1 1692 149 159 VAL N N 121.4 0.2 1 1693 150 160 PRO HA H 4.38 0.02 1 1694 150 160 PRO HB2 H 1.94 0.02 2 1695 150 160 PRO HB3 H 2.31 0.02 2 1696 150 160 PRO HG2 H 1.97 0.02 2 1697 150 160 PRO HG3 H 1.97 0.02 2 1698 150 160 PRO HD2 H 3.86 0.02 2 1699 150 160 PRO HD3 H 3.68 0.02 2 1700 150 160 PRO C C 177.2 0.2 1 1701 150 160 PRO CA C 63.3 0.2 1 1702 150 160 PRO CB C 32.1 0.2 1 1703 150 160 PRO CG C 27.7 0.2 1 1704 150 160 PRO CD C 50.9 0.2 1 1705 151 161 GLU H H 8.62 0.02 1 1706 151 161 GLU HA H 4.17 0.02 1 1707 151 161 GLU HB2 H 2.02 0.02 2 1708 151 161 GLU HB3 H 1.94 0.02 2 1709 151 161 GLU HG2 H 2.29 0.02 2 1710 151 161 GLU HG3 H 2.29 0.02 2 1711 151 161 GLU CA C 57.4 0.2 1 1712 151 161 GLU CB C 29.9 0.2 1 1713 151 161 GLU CG C 36.3 0.2 1 1714 151 161 GLU N N 120.7 0.2 1 1715 152 162 ASP H H 8.25 0.02 1 1716 152 162 ASP HA H 4.57 0.02 1 1717 152 162 ASP HB2 H 2.68 0.02 2 1718 152 162 ASP HB3 H 2.68 0.02 2 1719 152 162 ASP C C 176.0 0.2 1 1720 152 162 ASP CA C 54.2 0.2 1 1721 152 162 ASP CB C 41.0 0.2 1 1722 152 162 ASP N N 119.9 0.2 1 1723 153 163 ALA H H 8.04 0.02 1 1724 153 163 ALA HA H 4.27 0.02 1 1725 153 163 ALA HB H 1.37 0.02 1 1726 153 163 ALA C C 177.4 0.2 1 1727 153 163 ALA CA C 52.7 0.2 1 1728 153 163 ALA CB C 19.2 0.2 1 1729 153 163 ALA N N 124.0 0.2 1 1730 154 164 ALA H H 8.19 0.02 1 1731 154 164 ALA HA H 4.26 0.02 1 1732 154 164 ALA HB H 1.38 0.02 1 1733 154 164 ALA C C 177.9 0.2 1 1734 154 164 ALA CA C 52.6 0.2 1 1735 154 164 ALA CB C 19.3 0.2 1 1736 154 164 ALA N N 122.6 0.2 1 1737 155 165 GLU H H 8.19 0.02 1 1738 155 165 GLU HA H 4.22 0.02 1 1739 155 165 GLU HB2 H 1.99 0.02 2 1740 155 165 GLU HB3 H 1.91 0.02 2 1741 155 165 GLU HG2 H 2.22 0.02 2 1742 155 165 GLU HG3 H 2.22 0.02 2 1743 155 165 GLU C C 176.2 0.2 1 1744 155 165 GLU CA C 56.5 0.2 1 1745 155 165 GLU CB C 30.3 0.2 1 1746 155 165 GLU CG C 36.1 0.2 1 1747 155 165 GLU N N 119.4 0.2 1 1748 156 166 GLU H H 8.23 0.02 1 1749 156 166 GLU HA H 4.24 0.02 1 1750 156 166 GLU HB2 H 1.93 0.02 2 1751 156 166 GLU HB3 H 1.85 0.02 2 1752 156 166 GLU HG2 H 2.19 0.02 2 1753 156 166 GLU HG3 H 2.13 0.02 2 1754 156 166 GLU C C 175.8 0.2 1 1755 156 166 GLU CA C 56.3 0.2 1 1756 156 166 GLU CB C 30.3 0.2 1 1757 156 166 GLU CG C 36.0 0.2 1 1758 156 166 GLU N N 121.0 0.2 1 1759 157 167 PHE H H 8.24 0.02 1 1760 157 167 PHE HA H 4.59 0.02 1 1761 157 167 PHE HB2 H 3.04 0.02 2 1762 157 167 PHE HB3 H 2.96 0.02 2 1763 157 167 PHE HD1 H 7.16 0.02 3 1764 157 167 PHE HD2 H 7.16 0.02 3 1765 157 167 PHE HE1 H 7.28 0.02 3 1766 157 167 PHE HE2 H 7.28 0.02 3 1767 157 167 PHE C C 175.1 0.2 1 1768 157 167 PHE CA C 57.7 0.2 1 1769 157 167 PHE CB C 39.9 0.2 1 1770 157 167 PHE CD1 C 131.9 0.2 3 1771 157 167 PHE CD2 C 131.9 0.2 3 1772 157 167 PHE CE1 C 131.6 0.2 3 1773 157 167 PHE CE2 C 131.6 0.2 3 1774 157 167 PHE N N 121.4 0.2 1 1775 158 168 GLU H H 8.13 0.02 1 1776 158 168 GLU HA H 4.60 0.02 1 1777 158 168 GLU HB2 H 1.97 0.02 2 1778 158 168 GLU HB3 H 1.85 0.02 2 1779 158 168 GLU HG2 H 2.23 0.02 2 1780 158 168 GLU HG3 H 2.23 0.02 2 1781 158 168 GLU CA C 53.7 0.2 1 1782 158 168 GLU CB C 30.4 0.2 1 1783 158 168 GLU CG C 35.7 0.2 1 1784 158 168 GLU N N 124.4 0.2 1 1785 159 169 PRO HA H 4.46 0.02 1 1786 159 169 PRO HB2 H 1.91 0.02 2 1787 159 169 PRO HB3 H 2.30 0.02 2 1788 159 169 PRO HG2 H 2.04 0.02 2 1789 159 169 PRO HG3 H 2.04 0.02 2 1790 159 169 PRO HD2 H 3.67 0.02 2 1791 159 169 PRO HD3 H 3.67 0.02 2 1792 159 169 PRO C C 176.2 0.2 1 1793 159 169 PRO CA C 62.8 0.2 1 1794 159 169 PRO CB C 32.3 0.2 1 1795 159 169 PRO CG C 27.6 0.2 1 1796 159 169 PRO CD C 50.6 0.2 1 1797 160 170 SER H H 8.29 0.02 1 1798 160 170 SER HA H 4.78 0.02 1 1799 160 170 SER HB2 H 4.34 0.02 2 1800 160 170 SER HB3 H 4.00 0.02 2 1801 160 170 SER CA C 56.2 0.2 1 1802 160 170 SER CB C 63.2 0.2 1 1803 160 170 SER N N 118.6 0.2 1 1804 161 171 PRO HA H 4.35 0.02 1 1805 161 171 PRO HB2 H 1.98 0.02 2 1806 161 171 PRO HB3 H 2.43 0.02 2 1807 161 171 PRO HG2 H 2.22 0.02 2 1808 161 171 PRO HG3 H 2.06 0.02 2 1809 161 171 PRO HD2 H 3.94 0.02 2 1810 161 171 PRO HD3 H 3.94 0.02 2 1811 161 171 PRO C C 179.4 0.2 1 1812 161 171 PRO CA C 65.5 0.2 1 1813 161 171 PRO CB C 31.7 0.2 1 1814 161 171 PRO CG C 27.9 0.2 1 1815 161 171 PRO CD C 50.5 0.2 1 1816 162 172 GLU H H 8.54 0.02 1 1817 162 172 GLU HA H 4.16 0.02 1 1818 162 172 GLU HB2 H 2.07 0.02 2 1819 162 172 GLU HB3 H 1.95 0.02 2 1820 162 172 GLU HG2 H 2.36 0.02 2 1821 162 172 GLU HG3 H 2.30 0.02 2 1822 162 172 GLU C C 178.3 0.2 1 1823 162 172 GLU CA C 59.3 0.2 1 1824 162 172 GLU CB C 29.4 0.2 1 1825 162 172 GLU CG C 36.3 0.2 1 1826 162 172 GLU N N 118.3 0.2 1 1827 163 173 MET H H 7.83 0.02 1 1828 163 173 MET HA H 4.26 0.02 1 1829 163 173 MET HB2 H 2.24 0.02 2 1830 163 173 MET HB3 H 2.24 0.02 2 1831 163 173 MET HG2 H 2.69 0.02 2 1832 163 173 MET HG3 H 2.57 0.02 2 1833 163 173 MET HE H 2.16 0.02 1 1834 163 173 MET C C 179.2 0.2 1 1835 163 173 MET CA C 58.2 0.2 1 1836 163 173 MET CB C 32.5 0.2 1 1837 163 173 MET CG C 32.1 0.2 1 1838 163 173 MET CE C 16.6 0.2 1 1839 163 173 MET N N 119.4 0.2 1 1840 164 174 MET H H 8.32 0.02 1 1841 164 174 MET HA H 4.26 0.02 1 1842 164 174 MET HB2 H 2.17 0.02 2 1843 164 174 MET HB3 H 2.17 0.02 2 1844 164 174 MET HG2 H 2.68 0.02 2 1845 164 174 MET HG3 H 2.56 0.02 2 1846 164 174 MET HE H 2.08 0.02 1 1847 164 174 MET C C 178.6 0.2 1 1848 164 174 MET CA C 58.2 0.2 1 1849 164 174 MET CB C 31.9 0.2 1 1850 164 174 MET CG C 32.1 0.2 1 1851 164 174 MET CE C 16.6 0.2 1 1852 164 174 MET N N 119.3 0.2 1 1853 165 175 ARG H H 8.02 0.02 1 1854 165 175 ARG HA H 4.16 0.02 1 1855 165 175 ARG HB2 H 2.03 0.02 2 1856 165 175 ARG HB3 H 1.95 0.02 2 1857 165 175 ARG HG2 H 1.75 0.02 2 1858 165 175 ARG HG3 H 1.61 0.02 2 1859 165 175 ARG HD2 H 3.28 0.02 2 1860 165 175 ARG HD3 H 3.19 0.02 2 1861 165 175 ARG HE H 7.56 0.02 1 1862 165 175 ARG C C 178.8 0.2 1 1863 165 175 ARG CA C 59.4 0.2 1 1864 165 175 ARG CB C 29.9 0.2 1 1865 165 175 ARG CG C 27.2 0.2 1 1866 165 175 ARG CD C 43.1 0.2 1 1867 165 175 ARG N N 121.2 0.2 1 1868 165 175 ARG NE N 83.7 0.2 1 1869 166 176 ILE H H 8.11 0.02 1 1870 166 176 ILE HA H 3.92 0.02 1 1871 166 176 ILE HB H 1.94 0.02 1 1872 166 176 ILE HG12 H 1.64 0.02 2 1873 166 176 ILE HG13 H 1.24 0.02 2 1874 166 176 ILE HG2 H 0.94 0.02 1 1875 166 176 ILE HD1 H 0.85 0.02 1 1876 166 176 ILE C C 178.5 0.2 1 1877 166 176 ILE CA C 64.5 0.2 1 1878 166 176 ILE CB C 37.9 0.2 1 1879 166 176 ILE CG1 C 29.3 0.2 1 1880 166 176 ILE CG2 C 17.0 0.2 1 1881 166 176 ILE CD1 C 13.2 0.2 1 1882 166 176 ILE N N 120.5 0.2 1 1883 167 177 SER H H 8.29 0.02 1 1884 167 177 SER HA H 4.24 0.02 1 1885 167 177 SER HB2 H 4.05 0.02 2 1886 167 177 SER HB3 H 4.05 0.02 2 1887 167 177 SER C C 177.3 0.2 1 1888 167 177 SER CA C 62.5 0.2 1 1889 167 177 SER CB C 62.8 0.2 1 1890 167 177 SER N N 116.3 0.2 1 1891 168 178 GLN H H 8.08 0.02 1 1892 168 178 GLN HA H 4.11 0.02 1 1893 168 178 GLN HB2 H 2.30 0.02 2 1894 168 178 GLN HB3 H 2.28 0.02 2 1895 168 178 GLN HG2 H 2.53 0.02 2 1896 168 178 GLN HG3 H 2.43 0.02 2 1897 168 178 GLN HE21 H 6.80 0.02 1 1898 168 178 GLN HE22 H 7.66 0.02 1 1899 168 178 GLN C C 178.6 0.2 1 1900 168 178 GLN CA C 59.2 0.2 1 1901 168 178 GLN CB C 28.0 0.2 1 1902 168 178 GLN CG C 33.7 0.2 1 1903 168 178 GLN CD C 180.0 0.2 1 1904 168 178 GLN N N 123.3 0.2 1 1905 168 178 GLN NE2 N 111.8 0.2 1 1906 169 179 GLU H H 8.38 0.02 1 1907 169 179 GLU HA H 4.09 0.02 1 1908 169 179 GLU HB2 H 2.27 0.02 2 1909 169 179 GLU HB3 H 2.13 0.02 2 1910 169 179 GLU HG2 H 2.51 0.02 2 1911 169 179 GLU HG3 H 2.27 0.02 2 1912 169 179 GLU C C 180.5 0.2 1 1913 169 179 GLU CA C 59.5 0.2 1 1914 169 179 GLU CB C 29.7 0.2 1 1915 169 179 GLU CG C 36.4 0.2 1 1916 169 179 GLU N N 121.2 0.2 1 1917 170 180 ARG H H 8.67 0.02 1 1918 170 180 ARG HA H 4.01 0.02 1 1919 170 180 ARG HB2 H 2.05 0.02 2 1920 170 180 ARG HB3 H 1.98 0.02 2 1921 170 180 ARG HG2 H 2.08 0.02 2 1922 170 180 ARG HG3 H 1.98 0.02 2 1923 170 180 ARG HD2 H 3.12 0.02 2 1924 170 180 ARG HD3 H 2.92 0.02 2 1925 170 180 ARG HE H 7.00 0.02 1 1926 170 180 ARG C C 178.1 0.2 1 1927 170 180 ARG CA C 59.9 0.2 1 1928 170 180 ARG CB C 30.6 0.2 1 1929 170 180 ARG CG C 28.2 0.2 1 1930 170 180 ARG CD C 44.5 0.2 1 1931 170 180 ARG N N 120.8 0.2 1 1932 170 180 ARG NE N 85.5 0.2 1 1933 171 181 GLY H H 8.55 0.02 1 1934 171 181 GLY HA2 H 4.05 0.02 2 1935 171 181 GLY HA3 H 3.80 0.02 2 1936 171 181 GLY C C 176.6 0.2 1 1937 171 181 GLY CA C 47.8 0.2 1 1938 171 181 GLY N N 108.2 0.2 1 1939 172 182 GLU H H 8.19 0.02 1 1940 172 182 GLU HA H 4.11 0.02 1 1941 172 182 GLU HB2 H 2.20 0.02 2 1942 172 182 GLU HB3 H 2.08 0.02 2 1943 172 182 GLU HG2 H 2.55 0.02 2 1944 172 182 GLU HG3 H 2.33 0.02 2 1945 172 182 GLU C C 179.3 0.2 1 1946 172 182 GLU CA C 59.3 0.2 1 1947 172 182 GLU CB C 29.3 0.2 1 1948 172 182 GLU CG C 36.5 0.2 1 1949 172 182 GLU N N 121.9 0.2 1 1950 173 183 ALA H H 7.80 0.02 1 1951 173 183 ALA HA H 4.15 0.02 1 1952 173 183 ALA HB H 1.30 0.02 1 1953 173 183 ALA C C 181.5 0.2 1 1954 173 183 ALA CA C 55.0 0.2 1 1955 173 183 ALA CB C 17.1 0.2 1 1956 173 183 ALA N N 123.5 0.2 1 1957 174 184 TRP H H 8.40 0.02 1 1958 174 184 TRP HA H 4.54 0.02 1 1959 174 184 TRP HB2 H 3.32 0.02 2 1960 174 184 TRP HB3 H 3.32 0.02 2 1961 174 184 TRP HD1 H 7.14 0.02 1 1962 174 184 TRP HE1 H 11.37 0.02 1 1963 174 184 TRP HE3 H 7.50 0.02 1 1964 174 184 TRP HZ2 H 7.41 0.02 1 1965 174 184 TRP HZ3 H 7.25 0.02 1 1966 174 184 TRP HH2 H 7.53 0.02 1 1967 174 184 TRP C C 178.5 0.2 1 1968 174 184 TRP CA C 60.6 0.2 1 1969 174 184 TRP CB C 30.8 0.2 1 1970 174 184 TRP CD1 C 128.4 0.2 1 1971 174 184 TRP CE3 C 120.3 0.2 1 1972 174 184 TRP CZ2 C 114.0 0.2 1 1973 174 184 TRP CZ3 C 123.2 0.2 1 1974 174 184 TRP CH2 C 125.0 0.2 1 1975 174 184 TRP N N 118.1 0.2 1 1976 174 184 TRP NE1 N 131.2 0.2 1 1977 175 185 ALA H H 8.80 0.02 1 1978 175 185 ALA HA H 3.92 0.02 1 1979 175 185 ALA HB H 1.58 0.02 1 1980 175 185 ALA C C 179.6 0.2 1 1981 175 185 ALA CA C 55.6 0.2 1 1982 175 185 ALA CB C 17.9 0.2 1 1983 175 185 ALA N N 121.7 0.2 1 1984 176 186 ALA H H 7.86 0.02 1 1985 176 186 ALA HA H 4.19 0.02 1 1986 176 186 ALA HB H 1.52 0.02 1 1987 176 186 ALA C C 180.3 0.2 1 1988 176 186 ALA CA C 54.8 0.2 1 1989 176 186 ALA CB C 17.9 0.2 1 1990 176 186 ALA N N 119.0 0.2 1 1991 177 187 LEU H H 7.46 0.02 1 1992 177 187 LEU HA H 4.21 0.02 1 1993 177 187 LEU HB2 H 1.96 0.02 2 1994 177 187 LEU HB3 H 1.68 0.02 2 1995 177 187 LEU HG H 1.66 0.02 1 1996 177 187 LEU HD1 H 0.66 0.02 1 1997 177 187 LEU HD2 H 0.80 0.02 1 1998 177 187 LEU C C 179.4 0.2 1 1999 177 187 LEU CA C 57.6 0.2 1 2000 177 187 LEU CB C 42.7 0.2 1 2001 177 187 LEU CG C 27.0 0.2 1 2002 177 187 LEU CD1 C 25.2 0.2 1 2003 177 187 LEU CD2 C 24.4 0.2 1 2004 177 187 LEU N N 118.5 0.2 1 2005 178 188 VAL H H 8.64 0.02 1 2006 178 188 VAL HA H 3.66 0.02 1 2007 178 188 VAL HB H 1.99 0.02 1 2008 178 188 VAL HG1 H 0.85 0.02 1 2009 178 188 VAL HG2 H 1.11 0.02 1 2010 178 188 VAL C C 177.6 0.2 1 2011 178 188 VAL CA C 66.0 0.2 1 2012 178 188 VAL CB C 32.4 0.2 1 2013 178 188 VAL CG1 C 21.6 0.2 1 2014 178 188 VAL CG2 C 23.3 0.2 1 2015 178 188 VAL N N 118.5 0.2 1 2016 179 189 HIS H H 8.15 0.02 1 2017 179 189 HIS HA H 4.78 0.02 1 2018 179 189 HIS HB2 H 3.41 0.02 2 2019 179 189 HIS HB3 H 3.28 0.02 2 2020 179 189 HIS HD2 H 7.29 0.02 1 2021 179 189 HIS HE1 H 8.46 0.02 1 2022 179 189 HIS C C 175.3 0.2 1 2023 179 189 HIS CA C 56.2 0.2 1 2024 179 189 HIS CB C 28.5 0.2 1 2025 179 189 HIS CD2 C 120.0 0.2 1 2026 179 189 HIS CE1 C 136.6 0.2 1 2027 179 189 HIS N N 116.0 0.2 1 2028 180 190 SER H H 7.82 0.02 1 2029 180 190 SER HA H 4.48 0.02 1 2030 180 190 SER HB2 H 4.07 0.02 2 2031 180 190 SER HB3 H 4.07 0.02 2 2032 180 190 SER C C 175.1 0.2 1 2033 180 190 SER CA C 59.5 0.2 1 2034 180 190 SER CB C 64.0 0.2 1 2035 180 190 SER N N 115.0 0.2 1 2036 181 191 GLY H H 8.33 0.02 1 2037 181 191 GLY HA2 H 4.05 0.02 2 2038 181 191 GLY HA3 H 4.05 0.02 2 2039 181 191 GLY C C 173.4 0.2 1 2040 181 191 GLY CA C 45.5 0.2 1 2041 181 191 GLY N N 111.1 0.2 1 2042 182 192 SER H H 7.88 0.02 1 2043 182 192 SER HA H 4.32 0.02 1 2044 182 192 SER HB2 H 3.91 0.02 2 2045 182 192 SER HB3 H 3.87 0.02 2 2046 182 192 SER CA C 60.0 0.2 1 2047 182 192 SER CB C 64.9 0.2 1 2048 182 192 SER N N 121.2 0.2 1 stop_ save_