data_17670 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Protein AAur_3427 from Arthrobacter aurescens, Northeast Structural Genomics Consortium Target AaR96 ; _BMRB_accession_number 17670 _BMRB_flat_file_name bmr17670.str _Entry_type original _Submission_date 2011-05-27 _Accession_date 2011-05-27 _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 Eletsky Alexander . . 2 Lee Hsiau-Wei . . 3 Wang Dongyan . . 4 Ciccosanti Colleen . . 5 Janjua Haleema . . 6 Nair Rajesh . . 7 Rost Burkhard . . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Prestegard James H. . 12 Montelione Gaetano T. . 13 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 986 "13C chemical shifts" 744 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 original author . stop_ _Original_release_date 2011-06-24 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of Protein AAur_3427 from Arthrobacter aurescens, Northeast Structural Genomics Consortium Target AaR96' _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 Eletsky Alexander . . 2 Lee Hsiau-Wei . . 3 Wang Dongyan . . 4 Ciccosanti Colleen . . 5 Janjua Haleema . . 6 Nair Rajesh . . 7 Rost Burkhard . . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Prestegard James H. . 12 Montelione Gaetano T. . 13 Szyperski Thomas . . 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 AaR96 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AaR96 $AaR96 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_AaR96 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AaR96 _Molecular_mass 19625.873 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; TVVSVDKDVEALSFSIVAEF DADVKRVWAIWEDPRQLERW WGPPTWPATFETHEFTVGGK AAYYMTGPDGTKARGWWQFT TIEAPDHLEFDDGFADEHGA PVDELGVTHATVKLEPLENR TRMTIISTFESEEQMQKMAE MGMEEGMREAIEQIDAVLSE PANALEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 THR 2 VAL 3 VAL 4 SER 5 VAL 6 ASP 7 LYS 8 ASP 9 VAL 10 GLU 11 ALA 12 LEU 13 SER 14 PHE 15 SER 16 ILE 17 VAL 18 ALA 19 GLU 20 PHE 21 ASP 22 ALA 23 ASP 24 VAL 25 LYS 26 ARG 27 VAL 28 TRP 29 ALA 30 ILE 31 TRP 32 GLU 33 ASP 34 PRO 35 ARG 36 GLN 37 LEU 38 GLU 39 ARG 40 TRP 41 TRP 42 GLY 43 PRO 44 PRO 45 THR 46 TRP 47 PRO 48 ALA 49 THR 50 PHE 51 GLU 52 THR 53 HIS 54 GLU 55 PHE 56 THR 57 VAL 58 GLY 59 GLY 60 LYS 61 ALA 62 ALA 63 TYR 64 TYR 65 MET 66 THR 67 GLY 68 PRO 69 ASP 70 GLY 71 THR 72 LYS 73 ALA 74 ARG 75 GLY 76 TRP 77 TRP 78 GLN 79 PHE 80 THR 81 THR 82 ILE 83 GLU 84 ALA 85 PRO 86 ASP 87 HIS 88 LEU 89 GLU 90 PHE 91 ASP 92 ASP 93 GLY 94 PHE 95 ALA 96 ASP 97 GLU 98 HIS 99 GLY 100 ALA 101 PRO 102 VAL 103 ASP 104 GLU 105 LEU 106 GLY 107 VAL 108 THR 109 HIS 110 ALA 111 THR 112 VAL 113 LYS 114 LEU 115 GLU 116 PRO 117 LEU 118 GLU 119 ASN 120 ARG 121 THR 122 ARG 123 MET 124 THR 125 ILE 126 ILE 127 SER 128 THR 129 PHE 130 GLU 131 SER 132 GLU 133 GLU 134 GLN 135 MET 136 GLN 137 LYS 138 MET 139 ALA 140 GLU 141 MET 142 GLY 143 MET 144 GLU 145 GLU 146 GLY 147 MET 148 ARG 149 GLU 150 ALA 151 ILE 152 GLU 153 GLN 154 ILE 155 ASP 156 ALA 157 VAL 158 LEU 159 SER 160 GLU 161 PRO 162 ALA 163 ASN 164 ALA 165 LEU 166 GLU 167 HIS 168 HIS 169 HIS 170 HIS 171 HIS 172 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-05 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 2LDK "Solution Nmr Structure Of Protein Aaur_3427 From Arthrobacter Aurescens, Northeast Structural Genomics Consortium Target Aar96" 100.00 172 100.00 100.00 3.42e-121 GB ABM10196 "conserved hypothetical protein [Arthrobacter aurescens TC1]" 95.35 165 100.00 100.00 1.60e-114 GB AFR30444 "hypothetical protein ARUE_c35640 [Arthrobacter sp. Rue61a]" 95.35 165 98.17 99.39 1.40e-112 REF WP_011776048 "activator of HSP90 ATPase [Arthrobacter aurescens]" 95.35 165 100.00 100.00 1.60e-114 REF WP_014922734 "activator of HSP90 ATPase [Arthrobacter sp. Rue61a]" 95.35 165 98.17 99.39 1.40e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $AaR96 'Arthrobacter aurescens' 290340 Bacteria . Arthrobacter aurescens TC1 AAur_3427 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 $AaR96 'recombinant technology' . Escherichia coli 'BL21(DE3)+ Magic' 'pET 21-23C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Saveframe_category sample _Sample_type solution _Details '0.6 mM [U-100% 13C; U-100% 15N] AaR96, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AaR96 0.6 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_NC5 _Saveframe_category sample _Sample_type solution _Details '1.7 mM [5% 13C; U-100% 15N] AaR96, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AaR96 1.7 mM '[5% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_NC5_PEG _Saveframe_category sample _Sample_type solution _Details '1.2 mM [5% 13C; U-100% 15N] AaR96, 4% PEG/Hexanol' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AaR96 1.2 mM '[5% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'C12E5 PEG' 4 % 'natural abundance' hexanol 1.3 % 'natural abundance' H2O 80 % 'natural abundance' D2O 20 % 'natural abundance' stop_ save_ save_NC5_Phage _Saveframe_category sample _Sample_type solution _Details '1.1 mM [5% 13C; U-100% 15N] AaR96, Pf1 phage' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AaR96 1.1 mM '[5% 13C; U-100% 15N]' MES 13 mM 'natural abundance' 'sodium chloride' 70 mM 'natural abundance' 'calcium chloride' 3 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 33 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'Pf1 phage' 12.5 g/l 'natural abundance' H2O 80 % 'natural abundance' D2O 20 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinement,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 2.2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.3.0 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.2D loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 1.2009.0721.18 loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version 6.4 loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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 Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC save_ save_2D_1H-13C_CT-HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC aliphatic' _Sample_label $NC save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC save_ save_2D_1H-13C_CT-HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC aromatic' _Sample_label $NC save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $NC save_ save_3D_(H)CCH-TOCSY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY aliphatic' _Sample_label $NC save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NC save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $NC save_ save_2D_1H-15N_LR-HSQC_histidine_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N LR-HSQC histidine' _Sample_label $NC save_ save_2D_(HB)CB(CGCDCE)HDHE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HDHE' _Sample_label $NC save_ save_(4,3)D_GFT_HCCH-COSY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '(4,3)D GFT HCCH-COSY aliphatic' _Sample_label $NC save_ save_3D_HCCH-COSY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY aromatic' _Sample_label $NC save_ save_2D_1H-13C_CT-HSQC_methyl_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC methyl' _Sample_label $NC5 save_ save_1D_15N_T1_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N T1' _Sample_label $NC save_ save_1D_15N_T2_17 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N T2' _Sample_label $NC save_ save_2D_J-mod_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D J-mod 1H-15N HSQC' _Sample_label $NC5 save_ save_2D_J-mod_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D J-mod 1H-15N HSQC' _Sample_label $NC5_PEG save_ save_2D_J-mod_1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D J-mod 1H-15N HSQC' _Sample_label $NC5_Phage 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 HNCO' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' '3D HN(CA)CO' stop_ loop_ _Sample_label $NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AaR96 _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 1 THR HA H 3.965 0.02 1 2 1 1 THR HB H 3.969 0.02 1 3 1 1 THR HG2 H 1.219 0.02 1 4 1 1 THR C C 171.656 0.2 1 5 1 1 THR CA C 61.627 0.2 1 6 1 1 THR CB C 69.529 0.2 1 7 1 1 THR CG2 C 21.348 0.2 1 8 2 2 VAL H H 9.634 0.02 1 9 2 2 VAL HA H 3.816 0.02 1 10 2 2 VAL HB H 2.138 0.02 1 11 2 2 VAL HG1 H 0.845 0.02 1 12 2 2 VAL HG2 H 1.049 0.02 1 13 2 2 VAL C C 175.354 0.2 1 14 2 2 VAL CA C 64.940 0.2 1 15 2 2 VAL CB C 31.631 0.2 1 16 2 2 VAL CG1 C 21.422 0.2 1 17 2 2 VAL CG2 C 23.286 0.2 1 18 2 2 VAL N N 130.073 0.02 1 19 3 3 VAL H H 9.392 0.02 1 20 3 3 VAL HA H 4.250 0.02 1 21 3 3 VAL HB H 1.897 0.02 1 22 3 3 VAL HG1 H 0.796 0.02 1 23 3 3 VAL HG2 H 0.724 0.02 1 24 3 3 VAL C C 175.994 0.2 1 25 3 3 VAL CA C 62.697 0.2 1 26 3 3 VAL CB C 33.107 0.2 1 27 3 3 VAL CG1 C 20.825 0.2 1 28 3 3 VAL CG2 C 20.139 0.2 1 29 3 3 VAL N N 126.042 0.02 1 30 4 4 SER H H 7.836 0.02 1 31 4 4 SER HA H 4.614 0.02 1 32 4 4 SER HB2 H 3.689 0.02 2 33 4 4 SER HB3 H 3.778 0.02 2 34 4 4 SER C C 171.745 0.2 1 35 4 4 SER CA C 58.375 0.2 1 36 4 4 SER CB C 64.928 0.2 1 37 4 4 SER N N 113.665 0.02 1 38 5 5 VAL H H 8.111 0.02 1 39 5 5 VAL HA H 4.696 0.02 1 40 5 5 VAL HB H 1.990 0.02 1 41 5 5 VAL HG1 H 0.950 0.02 1 42 5 5 VAL HG2 H 0.921 0.02 1 43 5 5 VAL C C 174.863 0.2 1 44 5 5 VAL CA C 61.412 0.2 1 45 5 5 VAL CB C 34.772 0.2 1 46 5 5 VAL CG1 C 21.796 0.2 1 47 5 5 VAL CG2 C 20.801 0.2 1 48 5 5 VAL N N 121.357 0.02 1 49 6 6 ASP H H 8.972 0.02 1 50 6 6 ASP HA H 5.055 0.02 1 51 6 6 ASP HB2 H 2.417 0.02 2 52 6 6 ASP HB3 H 2.509 0.02 2 53 6 6 ASP C C 173.795 0.2 1 54 6 6 ASP CA C 53.425 0.2 1 55 6 6 ASP CB C 44.868 0.2 1 56 6 6 ASP N N 125.172 0.02 1 57 7 7 LYS H H 8.800 0.02 1 58 7 7 LYS HA H 4.944 0.02 1 59 7 7 LYS HB2 H 1.820 0.02 2 60 7 7 LYS HB3 H 2.001 0.02 2 61 7 7 LYS HG2 H 1.419 0.02 2 62 7 7 LYS HG3 H 1.347 0.02 2 63 7 7 LYS HD2 H 1.723 0.02 1 64 7 7 LYS HD3 H 1.723 0.02 1 65 7 7 LYS HE2 H 2.843 0.02 2 66 7 7 LYS HE3 H 2.896 0.02 2 67 7 7 LYS C C 174.094 0.2 1 68 7 7 LYS CA C 55.840 0.2 1 69 7 7 LYS CB C 34.836 0.2 1 70 7 7 LYS CG C 25.179 0.2 1 71 7 7 LYS CD C 29.555 0.2 1 72 7 7 LYS CE C 41.640 0.2 1 73 7 7 LYS N N 125.044 0.02 1 74 8 8 ASP H H 8.917 0.02 1 75 8 8 ASP HA H 4.990 0.02 1 76 8 8 ASP HB2 H 2.380 0.02 2 77 8 8 ASP HB3 H 3.125 0.02 2 78 8 8 ASP C C 176.379 0.2 1 79 8 8 ASP CA C 52.331 0.2 1 80 8 8 ASP CB C 42.129 0.2 1 81 8 8 ASP N N 126.671 0.02 1 82 9 9 VAL H H 8.782 0.02 1 83 9 9 VAL HA H 3.812 0.02 1 84 9 9 VAL HB H 2.170 0.02 1 85 9 9 VAL HG1 H 1.014 0.02 1 86 9 9 VAL HG2 H 1.070 0.02 1 87 9 9 VAL C C 178.087 0.2 1 88 9 9 VAL CA C 65.601 0.2 1 89 9 9 VAL CB C 31.605 0.2 1 90 9 9 VAL CG1 C 21.202 0.2 1 91 9 9 VAL CG2 C 21.340 0.2 1 92 9 9 VAL N N 123.514 0.02 1 93 10 10 GLU H H 8.244 0.02 1 94 10 10 GLU HA H 4.136 0.02 1 95 10 10 GLU HB2 H 2.156 0.02 2 96 10 10 GLU HB3 H 2.117 0.02 2 97 10 10 GLU HG2 H 2.308 0.02 2 98 10 10 GLU HG3 H 2.364 0.02 2 99 10 10 GLU C C 177.617 0.2 1 100 10 10 GLU CA C 59.060 0.2 1 101 10 10 GLU CB C 29.155 0.2 1 102 10 10 GLU CG C 36.708 0.2 1 103 10 10 GLU N N 120.677 0.02 1 104 11 11 ALA H H 7.546 0.02 1 105 11 11 ALA HA H 4.319 0.02 1 106 11 11 ALA HB H 1.303 0.02 1 107 11 11 ALA C C 176.293 0.2 1 108 11 11 ALA CA C 51.206 0.2 1 109 11 11 ALA CB C 19.038 0.2 1 110 11 11 ALA N N 119.800 0.02 1 111 12 12 LEU H H 7.918 0.02 1 112 12 12 LEU HA H 4.170 0.02 1 113 12 12 LEU HB2 H 1.554 0.02 2 114 12 12 LEU HB3 H 2.336 0.02 2 115 12 12 LEU HG H 1.592 0.02 1 116 12 12 LEU HD1 H 0.826 0.02 1 117 12 12 LEU HD2 H 0.876 0.02 1 118 12 12 LEU C C 174.692 0.2 1 119 12 12 LEU CA C 55.199 0.2 1 120 12 12 LEU CB C 39.719 0.2 1 121 12 12 LEU CG C 26.007 0.2 1 122 12 12 LEU CD1 C 25.988 0.2 1 123 12 12 LEU CD2 C 23.710 0.2 1 124 12 12 LEU N N 117.420 0.02 1 125 13 13 SER H H 8.394 0.02 1 126 13 13 SER HA H 6.043 0.02 1 127 13 13 SER HB2 H 3.601 0.02 2 128 13 13 SER HB3 H 3.671 0.02 2 129 13 13 SER C C 172.919 0.2 1 130 13 13 SER CA C 56.436 0.2 1 131 13 13 SER CB C 68.162 0.2 1 132 13 13 SER N N 109.912 0.02 1 133 14 14 PHE H H 9.212 0.02 1 134 14 14 PHE HA H 5.422 0.02 1 135 14 14 PHE HB2 H 3.169 0.02 2 136 14 14 PHE HB3 H 3.267 0.02 2 137 14 14 PHE HD1 H 7.225 0.02 1 138 14 14 PHE HD2 H 7.225 0.02 1 139 14 14 PHE HE1 H 7.330 0.02 1 140 14 14 PHE HE2 H 7.330 0.02 1 141 14 14 PHE HZ H 7.267 0.02 1 142 14 14 PHE C C 174.051 0.2 1 143 14 14 PHE CA C 56.508 0.2 1 144 14 14 PHE CB C 43.318 0.2 1 145 14 14 PHE CD1 C 131.278 0.2 1 146 14 14 PHE CD2 C 131.278 0.2 1 147 14 14 PHE CE1 C 131.275 0.2 1 148 14 14 PHE CE2 C 131.275 0.2 1 149 14 14 PHE CZ C 129.643 0.2 1 150 14 14 PHE N N 123.192 0.02 1 151 15 15 SER H H 8.924 0.02 1 152 15 15 SER HA H 5.676 0.02 1 153 15 15 SER HB2 H 3.549 0.02 2 154 15 15 SER HB3 H 3.584 0.02 2 155 15 15 SER C C 172.556 0.2 1 156 15 15 SER CA C 56.422 0.2 1 157 15 15 SER CB C 65.754 0.2 1 158 15 15 SER N N 121.521 0.02 1 159 16 16 ILE H H 8.814 0.02 1 160 16 16 ILE HA H 4.868 0.02 1 161 16 16 ILE HB H 1.618 0.02 1 162 16 16 ILE HG12 H 1.046 0.02 2 163 16 16 ILE HG13 H 1.600 0.02 2 164 16 16 ILE HG2 H 1.025 0.02 1 165 16 16 ILE HD1 H 0.965 0.02 1 166 16 16 ILE C C 173.517 0.2 1 167 16 16 ILE CA C 60.187 0.2 1 168 16 16 ILE CB C 41.620 0.2 1 169 16 16 ILE CG1 C 28.169 0.2 1 170 16 16 ILE CG2 C 17.672 0.2 1 171 16 16 ILE CD1 C 14.595 0.2 1 172 16 16 ILE N N 123.512 0.02 1 173 17 17 VAL H H 8.741 0.02 1 174 17 17 VAL HA H 4.926 0.02 1 175 17 17 VAL HB H 1.949 0.02 1 176 17 17 VAL HG1 H 0.795 0.02 1 177 17 17 VAL HG2 H 0.905 0.02 1 178 17 17 VAL C C 174.585 0.2 1 179 17 17 VAL CA C 60.831 0.2 1 180 17 17 VAL CB C 33.269 0.2 1 181 17 17 VAL CG1 C 20.870 0.2 1 182 17 17 VAL CG2 C 20.803 0.2 1 183 17 17 VAL N N 127.043 0.02 1 184 18 18 ALA H H 9.554 0.02 1 185 18 18 ALA HA H 5.224 0.02 1 186 18 18 ALA HB H 0.979 0.02 1 187 18 18 ALA C C 174.411 0.2 1 188 18 18 ALA CA C 49.852 0.2 1 189 18 18 ALA CB C 24.799 0.2 1 190 18 18 ALA N N 130.603 0.02 1 191 19 19 GLU H H 8.352 0.02 1 192 19 19 GLU HA H 5.200 0.02 1 193 19 19 GLU HB2 H 1.534 0.02 1 194 19 19 GLU HB3 H 1.669 0.02 1 195 19 19 GLU HG2 H 1.982 0.02 2 196 19 19 GLU HG3 H 2.059 0.02 2 197 19 19 GLU C C 175.119 0.2 1 198 19 19 GLU CA C 53.928 0.2 1 199 19 19 GLU CB C 33.941 0.2 1 200 19 19 GLU CG C 36.990 0.2 1 201 19 19 GLU N N 117.710 0.02 1 202 20 20 PHE H H 8.991 0.02 1 203 20 20 PHE HA H 5.134 0.02 1 204 20 20 PHE HB2 H 2.322 0.02 1 205 20 20 PHE HB3 H 3.094 0.02 1 206 20 20 PHE HD1 H 7.049 0.02 1 207 20 20 PHE HD2 H 7.049 0.02 1 208 20 20 PHE HE1 H 7.192 0.02 1 209 20 20 PHE HE2 H 7.192 0.02 1 210 20 20 PHE HZ H 6.764 0.02 1 211 20 20 PHE C C 175.546 0.2 1 212 20 20 PHE CA C 55.674 0.2 1 213 20 20 PHE CB C 44.007 0.2 1 214 20 20 PHE CD1 C 132.256 0.2 1 215 20 20 PHE CD2 C 132.256 0.2 1 216 20 20 PHE CE1 C 130.202 0.2 1 217 20 20 PHE CE2 C 130.202 0.2 1 218 20 20 PHE CZ C 129.633 0.2 1 219 20 20 PHE N N 118.224 0.02 1 220 21 21 ASP H H 9.268 0.02 1 221 21 21 ASP HA H 4.915 0.02 1 222 21 21 ASP HB2 H 2.541 0.02 2 223 21 21 ASP HB3 H 2.854 0.02 2 224 21 21 ASP C C 174.649 0.2 1 225 21 21 ASP CA C 53.126 0.2 1 226 21 21 ASP CB C 38.943 0.2 1 227 21 21 ASP N N 125.849 0.02 1 228 22 22 ALA H H 8.043 0.02 1 229 22 22 ALA HA H 4.537 0.02 1 230 22 22 ALA HB H 1.262 0.02 1 231 22 22 ALA C C 175.162 0.2 1 232 22 22 ALA CA C 51.305 0.2 1 233 22 22 ALA CB C 22.972 0.2 1 234 22 22 ALA N N 121.974 0.02 1 235 23 23 ASP H H 8.218 0.02 1 236 23 23 ASP HA H 4.548 0.02 1 237 23 23 ASP HB2 H 2.659 0.02 1 238 23 23 ASP HB3 H 3.043 0.02 1 239 23 23 ASP C C 176.251 0.2 1 240 23 23 ASP CA C 53.140 0.2 1 241 23 23 ASP CB C 42.440 0.2 1 242 23 23 ASP N N 119.324 0.02 1 243 24 24 VAL H H 8.038 0.02 1 244 24 24 VAL HA H 3.802 0.02 1 245 24 24 VAL HB H 2.039 0.02 1 246 24 24 VAL HG1 H 0.992 0.02 1 247 24 24 VAL HG2 H 1.039 0.02 1 248 24 24 VAL C C 177.297 0.2 1 249 24 24 VAL CA C 66.564 0.2 1 250 24 24 VAL CB C 32.030 0.2 1 251 24 24 VAL CG1 C 21.269 0.2 1 252 24 24 VAL CG2 C 22.553 0.2 1 253 24 24 VAL N N 119.745 0.02 1 254 25 25 LYS H H 8.058 0.02 1 255 25 25 LYS HA H 4.032 0.02 1 256 25 25 LYS HB2 H 1.857 0.02 1 257 25 25 LYS HB3 H 1.925 0.02 1 258 25 25 LYS HG2 H 1.361 0.02 2 259 25 25 LYS HG3 H 1.591 0.02 2 260 25 25 LYS HD2 H 1.712 0.02 1 261 25 25 LYS HD3 H 1.712 0.02 1 262 25 25 LYS HE2 H 2.989 0.02 1 263 25 25 LYS HE3 H 2.989 0.02 1 264 25 25 LYS C C 179.624 0.2 1 265 25 25 LYS CA C 60.015 0.2 1 266 25 25 LYS CB C 31.614 0.2 1 267 25 25 LYS CG C 26.006 0.2 1 268 25 25 LYS CD C 29.005 0.2 1 269 25 25 LYS CE C 41.648 0.2 1 270 25 25 LYS N N 117.968 0.02 1 271 26 26 ARG H H 7.812 0.02 1 272 26 26 ARG HA H 4.259 0.02 1 273 26 26 ARG HB2 H 1.940 0.02 2 274 26 26 ARG HB3 H 1.986 0.02 2 275 26 26 ARG HG2 H 1.615 0.02 2 276 26 26 ARG HG3 H 1.779 0.02 2 277 26 26 ARG HD2 H 3.220 0.02 2 278 26 26 ARG HD3 H 3.370 0.02 2 279 26 26 ARG HE H 7.519 0.02 1 280 26 26 ARG HH11 H 6.455 0.02 2 281 26 26 ARG HH12 H 7.219 0.02 2 282 26 26 ARG HH21 H 6.455 0.02 2 283 26 26 ARG HH22 H 7.219 0.02 2 284 26 26 ARG C C 178.407 0.2 1 285 26 26 ARG CA C 57.948 0.2 1 286 26 26 ARG CB C 29.303 0.2 1 287 26 26 ARG CG C 27.888 0.2 1 288 26 26 ARG CD C 42.977 0.2 1 289 26 26 ARG N N 120.298 0.02 1 290 26 26 ARG NE N 84.730 0.02 1 291 27 27 VAL H H 7.917 0.02 1 292 27 27 VAL HA H 3.535 0.02 1 293 27 27 VAL HB H 2.205 0.02 1 294 27 27 VAL HG1 H 0.934 0.02 1 295 27 27 VAL HG2 H 0.830 0.02 1 296 27 27 VAL C C 177.233 0.2 1 297 27 27 VAL CA C 65.761 0.2 1 298 27 27 VAL CB C 30.918 0.2 1 299 27 27 VAL CG1 C 23.492 0.2 1 300 27 27 VAL CG2 C 23.572 0.2 1 301 27 27 VAL N N 119.314 0.02 1 302 28 28 TRP H H 9.052 0.02 1 303 28 28 TRP HA H 4.345 0.02 1 304 28 28 TRP HB2 H 3.792 0.02 1 305 28 28 TRP HB3 H 3.327 0.02 1 306 28 28 TRP HD1 H 7.188 0.02 1 307 28 28 TRP HE1 H 10.089 0.02 1 308 28 28 TRP HE3 H 7.379 0.02 1 309 28 28 TRP HZ2 H 7.407 0.02 1 310 28 28 TRP HZ3 H 6.466 0.02 1 311 28 28 TRP HH2 H 6.916 0.02 1 312 28 28 TRP C C 177.660 0.2 1 313 28 28 TRP CA C 60.560 0.2 1 314 28 28 TRP CB C 29.296 0.2 1 315 28 28 TRP CD1 C 127.475 0.2 1 316 28 28 TRP CE3 C 121.400 0.2 1 317 28 28 TRP CZ2 C 113.192 0.2 1 318 28 28 TRP CZ3 C 120.897 0.2 1 319 28 28 TRP CH2 C 123.105 0.2 1 320 28 28 TRP N N 122.113 0.02 1 321 28 28 TRP NE1 N 128.680 0.02 1 322 29 29 ALA H H 7.243 0.02 1 323 29 29 ALA HA H 4.154 0.02 1 324 29 29 ALA HB H 1.567 0.02 1 325 29 29 ALA C C 178.001 0.2 1 326 29 29 ALA CA C 54.940 0.2 1 327 29 29 ALA CB C 18.856 0.2 1 328 29 29 ALA N N 116.341 0.02 1 329 30 30 ILE H H 7.327 0.02 1 330 30 30 ILE HA H 4.055 0.02 1 331 30 30 ILE HB H 1.851 0.02 1 332 30 30 ILE HG12 H 1.665 0.02 1 333 30 30 ILE HG13 H 0.606 0.02 1 334 30 30 ILE HG2 H 0.667 0.02 1 335 30 30 ILE HD1 H -0.258 0.02 1 336 30 30 ILE C C 174.564 0.2 1 337 30 30 ILE CA C 62.483 0.2 1 338 30 30 ILE CB C 35.586 0.2 1 339 30 30 ILE CG1 C 24.919 0.2 1 340 30 30 ILE CG2 C 17.223 0.2 1 341 30 30 ILE CD1 C 14.341 0.2 1 342 30 30 ILE N N 108.729 0.02 1 343 31 31 TRP H H 7.377 0.02 1 344 31 31 TRP HA H 4.401 0.02 1 345 31 31 TRP HB2 H 2.564 0.02 1 346 31 31 TRP HB3 H 2.699 0.02 1 347 31 31 TRP HD1 H 7.104 0.02 1 348 31 31 TRP HE1 H 8.506 0.02 1 349 31 31 TRP HE3 H 7.450 0.02 1 350 31 31 TRP HZ2 H 7.526 0.02 1 351 31 31 TRP HZ3 H 7.054 0.02 1 352 31 31 TRP HH2 H 7.442 0.02 1 353 31 31 TRP C C 175.525 0.2 1 354 31 31 TRP CA C 57.548 0.2 1 355 31 31 TRP CB C 30.099 0.2 1 356 31 31 TRP CD1 C 126.622 0.2 1 357 31 31 TRP CE3 C 119.798 0.2 1 358 31 31 TRP CZ2 C 114.585 0.2 1 359 31 31 TRP CZ3 C 123.055 0.2 1 360 31 31 TRP CH2 C 123.879 0.2 1 361 31 31 TRP N N 117.437 0.02 1 362 31 31 TRP NE1 N 122.332 0.02 1 363 32 32 GLU H H 6.897 0.02 1 364 32 32 GLU HA H 2.077 0.02 1 365 32 32 GLU HB2 H 1.148 0.02 1 366 32 32 GLU HB3 H 1.420 0.02 1 367 32 32 GLU HG2 H 1.787 0.02 2 368 32 32 GLU HG3 H 1.855 0.02 2 369 32 32 GLU C C 174.628 0.2 1 370 32 32 GLU CA C 57.478 0.2 1 371 32 32 GLU CB C 30.412 0.2 1 372 32 32 GLU CG C 36.379 0.2 1 373 32 32 GLU N N 115.864 0.02 1 374 33 33 ASP H H 7.548 0.02 1 375 33 33 ASP HA H 4.780 0.02 1 376 33 33 ASP HB2 H 2.502 0.02 2 377 33 33 ASP HB3 H 3.078 0.02 2 378 33 33 ASP C C 175.930 0.2 1 379 33 33 ASP CA C 49.283 0.2 1 380 33 33 ASP CB C 41.138 0.2 1 381 33 33 ASP N N 116.043 0.02 1 382 34 34 PRO HA H 3.294 0.02 1 383 34 34 PRO HB2 H 0.974 0.02 2 384 34 34 PRO HB3 H 1.597 0.02 2 385 34 34 PRO HG2 H 1.813 0.02 2 386 34 34 PRO HG3 H 1.913 0.02 2 387 34 34 PRO HD2 H 3.447 0.02 2 388 34 34 PRO HD3 H 4.037 0.02 2 389 34 34 PRO C C 177.080 0.2 1 390 34 34 PRO CA C 63.813 0.2 1 391 34 34 PRO CB C 30.301 0.2 1 392 34 34 PRO CG C 26.566 0.2 1 393 34 34 PRO CD C 50.407 0.2 1 394 35 35 ARG H H 7.802 0.02 1 395 35 35 ARG HA H 4.204 0.02 1 396 35 35 ARG HB2 H 1.823 0.02 2 397 35 35 ARG HB3 H 2.049 0.02 2 398 35 35 ARG HG2 H 1.614 0.02 2 399 35 35 ARG HG3 H 1.695 0.02 2 400 35 35 ARG HD2 H 3.106 0.02 2 401 35 35 ARG HD3 H 3.405 0.02 2 402 35 35 ARG HE H 8.233 0.02 1 403 35 35 ARG HH11 H 6.842 0.02 2 404 35 35 ARG HH12 H 6.747 0.02 2 405 35 35 ARG HH21 H 6.842 0.02 2 406 35 35 ARG HH22 H 6.747 0.02 2 407 35 35 ARG C C 179.710 0.2 1 408 35 35 ARG CA C 56.984 0.2 1 409 35 35 ARG CB C 31.483 0.2 1 410 35 35 ARG CG C 25.759 0.2 1 411 35 35 ARG CD C 43.830 0.2 1 412 35 35 ARG N N 114.562 0.02 1 413 35 35 ARG NE N 85.530 0.02 1 414 36 36 GLN H H 7.054 0.02 1 415 36 36 GLN HA H 4.119 0.02 1 416 36 36 GLN HB2 H 2.144 0.02 1 417 36 36 GLN HB3 H 1.940 0.02 1 418 36 36 GLN HG2 H 1.961 0.02 2 419 36 36 GLN HG3 H 2.201 0.02 2 420 36 36 GLN HE21 H 7.704 0.02 2 421 36 36 GLN HE22 H 6.492 0.02 2 422 36 36 GLN C C 177.489 0.2 1 423 36 36 GLN CA C 58.086 0.2 1 424 36 36 GLN CB C 30.114 0.2 1 425 36 36 GLN CG C 34.466 0.2 1 426 36 36 GLN N N 116.981 0.02 1 427 36 36 GLN NE2 N 111.656 0.02 1 428 37 37 LEU H H 7.721 0.02 1 429 37 37 LEU HA H 3.957 0.02 1 430 37 37 LEU HB2 H 0.629 0.02 2 431 37 37 LEU HB3 H 1.044 0.02 2 432 37 37 LEU HG H 0.089 0.02 1 433 37 37 LEU HD1 H 0.149 0.02 1 434 37 37 LEU HD2 H -0.328 0.02 1 435 37 37 LEU C C 178.877 0.2 1 436 37 37 LEU CA C 56.980 0.2 1 437 37 37 LEU CB C 42.241 0.2 1 438 37 37 LEU CG C 26.412 0.2 1 439 37 37 LEU CD1 C 22.387 0.2 1 440 37 37 LEU CD2 C 26.292 0.2 1 441 37 37 LEU N N 122.961 0.02 1 442 38 38 GLU H H 7.542 0.02 1 443 38 38 GLU HA H 3.723 0.02 1 444 38 38 GLU HB2 H 2.060 0.02 2 445 38 38 GLU HB3 H 2.176 0.02 2 446 38 38 GLU HG2 H 2.397 0.02 1 447 38 38 GLU HG3 H 2.397 0.02 1 448 38 38 GLU C C 176.251 0.2 1 449 38 38 GLU CA C 57.305 0.2 1 450 38 38 GLU CB C 29.024 0.2 1 451 38 38 GLU CG C 35.430 0.2 1 452 38 38 GLU N N 112.958 0.02 1 453 39 39 ARG H H 7.335 0.02 1 454 39 39 ARG HA H 4.214 0.02 1 455 39 39 ARG HB2 H 2.052 0.02 1 456 39 39 ARG HB3 H 2.052 0.02 1 457 39 39 ARG HG2 H 1.739 0.02 2 458 39 39 ARG HG3 H 2.100 0.02 2 459 39 39 ARG HD2 H 3.210 0.02 2 460 39 39 ARG HD3 H 3.333 0.02 2 461 39 39 ARG HE H 7.423 0.02 1 462 39 39 ARG C C 176.614 0.2 1 463 39 39 ARG CA C 57.394 0.2 1 464 39 39 ARG CB C 30.906 0.2 1 465 39 39 ARG CG C 27.109 0.2 1 466 39 39 ARG CD C 43.986 0.2 1 467 39 39 ARG N N 115.983 0.02 1 468 39 39 ARG NE N 84.255 0.02 1 469 40 40 TRP H H 7.366 0.02 1 470 40 40 TRP HA H 5.159 0.02 1 471 40 40 TRP HB2 H 3.555 0.02 1 472 40 40 TRP HB3 H 2.321 0.02 1 473 40 40 TRP HD1 H 7.056 0.02 1 474 40 40 TRP HE1 H 8.913 0.02 1 475 40 40 TRP HE3 H 7.180 0.02 1 476 40 40 TRP HZ2 H 5.019 0.02 1 477 40 40 TRP HZ3 H 6.744 0.02 1 478 40 40 TRP HH2 H 6.921 0.02 1 479 40 40 TRP C C 173.859 0.2 1 480 40 40 TRP CA C 55.308 0.2 1 481 40 40 TRP CB C 31.595 0.2 1 482 40 40 TRP CD1 C 125.521 0.2 1 483 40 40 TRP CE3 C 121.418 0.2 1 484 40 40 TRP CZ2 C 113.505 0.2 1 485 40 40 TRP CZ3 C 120.708 0.2 1 486 40 40 TRP CH2 C 124.416 0.2 1 487 40 40 TRP N N 113.940 0.02 1 488 40 40 TRP NE1 N 128.672 0.02 1 489 41 41 TRP H H 7.222 0.02 1 490 41 41 TRP HA H 3.125 0.02 1 491 41 41 TRP HB2 H 2.002 0.02 2 492 41 41 TRP HB3 H 2.139 0.02 2 493 41 41 TRP HD1 H 5.941 0.02 1 494 41 41 TRP HE3 H 7.212 0.02 1 495 41 41 TRP HZ2 H 4.128 0.02 1 496 41 41 TRP HZ3 H 6.395 0.02 1 497 41 41 TRP HH2 H 6.392 0.02 1 498 41 41 TRP CA C 60.256 0.2 1 499 41 41 TRP CB C 30.368 0.2 1 500 41 41 TRP CD1 C 125.106 0.2 1 501 41 41 TRP CE3 C 121.175 0.2 1 502 41 41 TRP CZ2 C 112.115 0.2 1 503 41 41 TRP CZ3 C 122.297 0.2 1 504 41 41 TRP CH2 C 125.244 0.2 1 505 41 41 TRP N N 119.766 0.02 1 506 42 42 GLY H H 7.680 0.02 1 507 42 42 GLY HA2 H 4.285 0.02 1 508 42 42 GLY HA3 H 3.808 0.02 1 509 42 42 GLY CA C 42.258 0.2 1 510 43 43 PRO HA H 4.328 0.02 1 511 43 43 PRO HB2 H 2.151 0.02 2 512 43 43 PRO HB3 H 2.523 0.02 2 513 43 43 PRO HG2 H 1.887 0.02 2 514 43 43 PRO HG3 H 2.012 0.02 2 515 43 43 PRO HD2 H 3.929 0.02 1 516 43 43 PRO HD3 H 3.650 0.02 1 517 43 43 PRO CA C 61.896 0.2 1 518 43 43 PRO CB C 30.406 0.2 1 519 43 43 PRO CG C 27.175 0.2 1 520 43 43 PRO CD C 49.866 0.2 1 521 44 44 PRO HA H 4.334 0.02 1 522 44 44 PRO HB2 H 1.965 0.02 2 523 44 44 PRO HB3 H 2.429 0.02 2 524 44 44 PRO HG2 H 2.259 0.02 2 525 44 44 PRO HG3 H 2.059 0.02 2 526 44 44 PRO HD2 H 3.426 0.02 2 527 44 44 PRO HD3 H 3.737 0.02 2 528 44 44 PRO CA C 65.757 0.2 1 529 44 44 PRO CB C 32.178 0.2 1 530 44 44 PRO CG C 27.675 0.2 1 531 44 44 PRO CD C 50.140 0.2 1 532 45 45 THR HA H 4.148 0.02 1 533 45 45 THR HB H 4.351 0.02 1 534 45 45 THR HG2 H 1.244 0.02 1 535 45 45 THR CA C 62.603 0.2 1 536 45 45 THR CB C 69.601 0.2 1 537 45 45 THR CG2 C 22.658 0.2 1 538 46 46 TRP HA H 4.995 0.02 1 539 46 46 TRP HB2 H 2.569 0.02 2 540 46 46 TRP HB3 H 3.465 0.02 2 541 46 46 TRP HD1 H 7.200 0.02 1 542 46 46 TRP HE1 H 10.080 0.02 1 543 46 46 TRP HE3 H 7.230 0.02 1 544 46 46 TRP HZ2 H 7.495 0.02 1 545 46 46 TRP HZ3 H 6.938 0.02 1 546 46 46 TRP HH2 H 7.144 0.02 1 547 46 46 TRP CA C 54.299 0.2 1 548 46 46 TRP CB C 30.070 0.2 1 549 46 46 TRP CD1 C 126.912 0.2 1 550 46 46 TRP CE3 C 120.309 0.2 1 551 46 46 TRP CZ2 C 114.473 0.2 1 552 46 46 TRP CZ3 C 121.688 0.2 1 553 46 46 TRP CH2 C 123.846 0.2 1 554 46 46 TRP NE1 N 128.898 0.02 1 555 47 47 PRO HA H 4.188 0.02 1 556 47 47 PRO HB2 H 1.920 0.02 2 557 47 47 PRO HB3 H 2.178 0.02 2 558 47 47 PRO HG2 H 1.873 0.02 2 559 47 47 PRO HG3 H 1.958 0.02 2 560 47 47 PRO HD2 H 3.095 0.02 2 561 47 47 PRO HD3 H 4.007 0.02 2 562 47 47 PRO C C 178.639 0.2 1 563 47 47 PRO CA C 62.746 0.2 1 564 47 47 PRO CB C 32.157 0.2 1 565 47 47 PRO CG C 28.192 0.2 1 566 47 47 PRO CD C 49.667 0.2 1 567 48 48 ALA H H 9.258 0.02 1 568 48 48 ALA HA H 5.312 0.02 1 569 48 48 ALA HB H 1.447 0.02 1 570 48 48 ALA C C 176.122 0.2 1 571 48 48 ALA CA C 50.825 0.2 1 572 48 48 ALA CB C 21.887 0.2 1 573 48 48 ALA N N 125.153 0.02 1 574 49 49 THR H H 8.750 0.02 1 575 49 49 THR HA H 4.103 0.02 1 576 49 49 THR HB H 2.323 0.02 1 577 49 49 THR HG2 H 0.874 0.02 1 578 49 49 THR C C 173.774 0.2 1 579 49 49 THR CA C 62.193 0.2 1 580 49 49 THR CB C 71.261 0.2 1 581 49 49 THR CG2 C 20.560 0.2 1 582 49 49 THR N N 115.316 0.02 1 583 50 50 PHE H H 9.994 0.02 1 584 50 50 PHE HA H 4.410 0.02 1 585 50 50 PHE HB2 H 2.352 0.02 2 586 50 50 PHE HB3 H 2.770 0.02 2 587 50 50 PHE HD1 H 6.765 0.02 1 588 50 50 PHE HD2 H 6.765 0.02 1 589 50 50 PHE HE1 H 5.567 0.02 1 590 50 50 PHE HE2 H 5.567 0.02 1 591 50 50 PHE C C 175.204 0.2 1 592 50 50 PHE CA C 57.852 0.2 1 593 50 50 PHE CB C 38.207 0.2 1 594 50 50 PHE CD1 C 129.097 0.2 1 595 50 50 PHE CD2 C 129.097 0.2 1 596 50 50 PHE CE1 C 130.421 0.2 1 597 50 50 PHE CE2 C 130.421 0.2 1 598 50 50 PHE N N 127.182 0.02 1 599 51 51 GLU H H 8.331 0.02 1 600 51 51 GLU HA H 4.246 0.02 1 601 51 51 GLU HB2 H 2.018 0.02 2 602 51 51 GLU HB3 H 2.119 0.02 2 603 51 51 GLU HG2 H 2.171 0.02 1 604 51 51 GLU HG3 H 2.259 0.02 1 605 51 51 GLU C C 176.870 0.2 1 606 51 51 GLU CA C 57.822 0.2 1 607 51 51 GLU CB C 31.784 0.2 1 608 51 51 GLU CG C 37.677 0.2 1 609 51 51 GLU N N 124.458 0.02 1 610 52 52 THR H H 7.983 0.02 1 611 52 52 THR HA H 4.600 0.02 1 612 52 52 THR HB H 4.065 0.02 1 613 52 52 THR HG2 H 1.299 0.02 1 614 52 52 THR C C 173.475 0.2 1 615 52 52 THR CA C 61.128 0.2 1 616 52 52 THR CB C 71.859 0.2 1 617 52 52 THR CG2 C 22.326 0.2 1 618 52 52 THR N N 112.263 0.02 1 619 53 53 HIS H H 9.166 0.02 1 620 53 53 HIS HA H 4.630 0.02 1 621 53 53 HIS HB2 H 2.966 0.02 2 622 53 53 HIS HB3 H 3.092 0.02 2 623 53 53 HIS HD2 H 6.266 0.02 1 624 53 53 HIS HE1 H 7.370 0.02 1 625 53 53 HIS C C 171.937 0.2 1 626 53 53 HIS CA C 58.934 0.2 1 627 53 53 HIS CB C 32.502 0.2 1 628 53 53 HIS CD2 C 115.338 0.2 1 629 53 53 HIS CE1 C 140.334 0.2 1 630 53 53 HIS N N 126.469 0.02 1 631 53 53 HIS ND1 N 254.349 0.02 1 632 53 53 HIS NE2 N 159.766 0.02 1 633 54 54 GLU H H 8.216 0.02 1 634 54 54 GLU HA H 4.649 0.02 1 635 54 54 GLU HB2 H 2.589 0.02 1 636 54 54 GLU HB3 H 2.097 0.02 1 637 54 54 GLU HG2 H 2.305 0.02 2 638 54 54 GLU HG3 H 2.417 0.02 2 639 54 54 GLU C C 174.457 0.2 1 640 54 54 GLU CA C 54.240 0.2 1 641 54 54 GLU CB C 29.045 0.2 1 642 54 54 GLU CG C 35.227 0.2 1 643 54 54 GLU N N 127.978 0.02 1 644 55 55 PHE H H 8.438 0.02 1 645 55 55 PHE HA H 3.721 0.02 1 646 55 55 PHE HB2 H 2.485 0.02 1 647 55 55 PHE HB3 H 3.280 0.02 1 648 55 55 PHE HD1 H 6.726 0.02 1 649 55 55 PHE HD2 H 6.726 0.02 1 650 55 55 PHE HE1 H 7.028 0.02 1 651 55 55 PHE HE2 H 7.028 0.02 1 652 55 55 PHE HZ H 6.411 0.02 1 653 55 55 PHE C C 173.475 0.2 1 654 55 55 PHE CA C 57.284 0.2 1 655 55 55 PHE CB C 37.260 0.2 1 656 55 55 PHE CD1 C 132.123 0.2 1 657 55 55 PHE CD2 C 132.123 0.2 1 658 55 55 PHE CE1 C 130.486 0.2 1 659 55 55 PHE CE2 C 130.486 0.2 1 660 55 55 PHE CZ C 127.992 0.2 1 661 55 55 PHE N N 126.598 0.02 1 662 56 56 THR H H 8.446 0.02 1 663 56 56 THR HA H 4.243 0.02 1 664 56 56 THR HB H 3.975 0.02 1 665 56 56 THR HG2 H 1.006 0.02 1 666 56 56 THR C C 173.731 0.2 1 667 56 56 THR CA C 59.725 0.2 1 668 56 56 THR CB C 70.682 0.2 1 669 56 56 THR CG2 C 20.251 0.2 1 670 56 56 THR N N 118.377 0.02 1 671 57 57 VAL H H 8.677 0.02 1 672 57 57 VAL HA H 3.282 0.02 1 673 57 57 VAL HB H 2.004 0.02 1 674 57 57 VAL HG1 H 0.938 0.02 1 675 57 57 VAL HG2 H 0.988 0.02 1 676 57 57 VAL C C 177.553 0.2 1 677 57 57 VAL CA C 67.306 0.2 1 678 57 57 VAL CB C 30.618 0.2 1 679 57 57 VAL CG1 C 21.362 0.2 1 680 57 57 VAL CG2 C 23.575 0.2 1 681 57 57 VAL N N 126.601 0.02 1 682 58 58 GLY H H 8.825 0.02 1 683 58 58 GLY HA2 H 3.827 0.02 2 684 58 58 GLY HA3 H 4.508 0.02 2 685 58 58 GLY C C 174.521 0.2 1 686 58 58 GLY CA C 45.197 0.2 1 687 58 58 GLY N N 118.381 0.02 1 688 59 59 GLY H H 9.085 0.02 1 689 59 59 GLY HA2 H 4.254 0.02 2 690 59 59 GLY HA3 H 4.497 0.02 2 691 59 59 GLY C C 172.215 0.2 1 692 59 59 GLY CA C 44.774 0.2 1 693 59 59 GLY N N 112.118 0.02 1 694 60 60 LYS H H 8.687 0.02 1 695 60 60 LYS HA H 5.581 0.02 1 696 60 60 LYS HB2 H 1.806 0.02 1 697 60 60 LYS HB3 H 2.072 0.02 1 698 60 60 LYS HG2 H 1.587 0.02 2 699 60 60 LYS HG3 H 1.680 0.02 2 700 60 60 LYS HD2 H 1.762 0.02 1 701 60 60 LYS HD3 H 1.762 0.02 1 702 60 60 LYS HE2 H 2.947 0.02 2 703 60 60 LYS HE3 H 2.985 0.02 2 704 60 60 LYS C C 176.763 0.2 1 705 60 60 LYS CA C 54.381 0.2 1 706 60 60 LYS CB C 36.120 0.2 1 707 60 60 LYS CG C 25.470 0.2 1 708 60 60 LYS CD C 29.009 0.2 1 709 60 60 LYS CE C 42.039 0.2 1 710 60 60 LYS N N 119.286 0.02 1 711 61 61 ALA H H 8.723 0.02 1 712 61 61 ALA HA H 5.010 0.02 1 713 61 61 ALA HB H 1.298 0.02 1 714 61 61 ALA C C 176.251 0.2 1 715 61 61 ALA CA C 50.154 0.2 1 716 61 61 ALA CB C 22.567 0.2 1 717 61 61 ALA N N 119.869 0.02 1 718 62 62 ALA H H 8.730 0.02 1 719 62 62 ALA HA H 4.961 0.02 1 720 62 62 ALA HB H 1.506 0.02 1 721 62 62 ALA C C 174.799 0.2 1 722 62 62 ALA CA C 51.771 0.2 1 723 62 62 ALA CB C 22.062 0.2 1 724 62 62 ALA N N 125.217 0.02 1 725 63 63 TYR H H 7.784 0.02 1 726 63 63 TYR HA H 5.219 0.02 1 727 63 63 TYR HB2 H 1.743 0.02 1 728 63 63 TYR HB3 H 0.520 0.02 1 729 63 63 TYR HD1 H 5.904 0.02 1 730 63 63 TYR HD2 H 5.904 0.02 1 731 63 63 TYR HE1 H 6.514 0.02 1 732 63 63 TYR HE2 H 6.514 0.02 1 733 63 63 TYR C C 173.347 0.2 1 734 63 63 TYR CA C 54.247 0.2 1 735 63 63 TYR CB C 40.781 0.2 1 736 63 63 TYR CD1 C 132.645 0.2 1 737 63 63 TYR CD2 C 132.645 0.2 1 738 63 63 TYR CE1 C 117.323 0.2 1 739 63 63 TYR CE2 C 117.323 0.2 1 740 63 63 TYR N N 118.658 0.02 1 741 64 64 TYR H H 8.492 0.02 1 742 64 64 TYR HA H 5.522 0.02 1 743 64 64 TYR HB2 H 2.758 0.02 2 744 64 64 TYR HB3 H 2.883 0.02 2 745 64 64 TYR HD1 H 6.786 0.02 1 746 64 64 TYR HD2 H 6.786 0.02 1 747 64 64 TYR HE1 H 6.698 0.02 1 748 64 64 TYR HE2 H 6.698 0.02 1 749 64 64 TYR C C 173.291 0.2 1 750 64 64 TYR CA C 55.066 0.2 1 751 64 64 TYR CB C 41.624 0.2 1 752 64 64 TYR CD1 C 133.752 0.2 1 753 64 64 TYR CD2 C 133.752 0.2 1 754 64 64 TYR CE1 C 117.719 0.2 1 755 64 64 TYR CE2 C 117.719 0.2 1 756 64 64 TYR N N 113.935 0.02 1 757 65 65 MET H H 9.417 0.02 1 758 65 65 MET HA H 5.390 0.02 1 759 65 65 MET HB2 H 2.142 0.02 2 760 65 65 MET HB3 H 2.465 0.02 2 761 65 65 MET HG2 H 2.735 0.02 1 762 65 65 MET HG3 H 2.542 0.02 1 763 65 65 MET HE H 2.038 0.02 1 764 65 65 MET C C 175.759 0.2 1 765 65 65 MET CA C 54.248 0.2 1 766 65 65 MET CB C 36.435 0.2 1 767 65 65 MET CG C 33.125 0.2 1 768 65 65 MET CE C 17.515 0.2 1 769 65 65 MET N N 119.762 0.02 1 770 66 66 THR H H 7.977 0.02 1 771 66 66 THR HA H 4.937 0.02 1 772 66 66 THR HB H 3.932 0.02 1 773 66 66 THR HG2 H 1.163 0.02 1 774 66 66 THR C C 174.073 0.2 1 775 66 66 THR CA C 61.763 0.2 1 776 66 66 THR CB C 69.555 0.2 1 777 66 66 THR CG2 C 21.081 0.2 1 778 66 66 THR N N 119.054 0.02 1 779 67 67 GLY H H 8.602 0.02 1 780 67 67 GLY HA2 H 1.662 0.02 2 781 67 67 GLY HA3 H 3.425 0.02 2 782 67 67 GLY C C 174.181 0.2 1 783 67 67 GLY CA C 43.012 0.2 1 784 67 67 GLY N N 116.011 0.02 1 785 68 68 PRO HA H 4.193 0.02 1 786 68 68 PRO HB2 H 1.857 0.02 2 787 68 68 PRO HB3 H 2.263 0.02 2 788 68 68 PRO HG2 H 1.864 0.02 1 789 68 68 PRO HG3 H 1.950 0.02 1 790 68 68 PRO HD2 H 2.967 0.02 1 791 68 68 PRO HD3 H 2.912 0.02 1 792 68 68 PRO C C 177.251 0.2 1 793 68 68 PRO CA C 64.626 0.2 1 794 68 68 PRO CB C 32.002 0.2 1 795 68 68 PRO CG C 27.107 0.2 1 796 68 68 PRO CD C 48.969 0.2 1 797 69 69 ASP H H 7.818 0.02 1 798 69 69 ASP HA H 4.594 0.02 1 799 69 69 ASP HB2 H 2.621 0.02 2 800 69 69 ASP HB3 H 2.986 0.02 2 801 69 69 ASP C C 176.998 0.2 1 802 69 69 ASP CA C 52.598 0.2 1 803 69 69 ASP CB C 40.278 0.2 1 804 69 69 ASP N N 114.611 0.02 1 805 70 70 GLY H H 8.188 0.02 1 806 70 70 GLY HA2 H 3.394 0.02 1 807 70 70 GLY HA3 H 4.219 0.02 1 808 70 70 GLY C C 174.436 0.2 1 809 70 70 GLY CA C 44.915 0.2 1 810 70 70 GLY N N 108.390 0.02 1 811 71 71 THR H H 7.613 0.02 1 812 71 71 THR HA H 4.000 0.02 1 813 71 71 THR HB H 4.143 0.02 1 814 71 71 THR HG2 H 1.348 0.02 1 815 71 71 THR C C 172.834 0.2 1 816 71 71 THR CA C 64.078 0.2 1 817 71 71 THR CB C 69.484 0.2 1 818 71 71 THR CG2 C 21.611 0.2 1 819 71 71 THR N N 117.146 0.02 1 820 72 72 LYS H H 8.543 0.02 1 821 72 72 LYS HA H 5.526 0.02 1 822 72 72 LYS HB2 H 1.394 0.02 2 823 72 72 LYS HB3 H 1.658 0.02 2 824 72 72 LYS HG2 H 1.230 0.02 2 825 72 72 LYS HG3 H 1.401 0.02 2 826 72 72 LYS HD2 H 0.957 0.02 2 827 72 72 LYS HD3 H 1.222 0.02 2 828 72 72 LYS HE2 H 2.446 0.02 2 829 72 72 LYS HE3 H 2.511 0.02 2 830 72 72 LYS C C 176.144 0.2 1 831 72 72 LYS CA C 54.962 0.2 1 832 72 72 LYS CB C 35.034 0.2 1 833 72 72 LYS CG C 25.181 0.2 1 834 72 72 LYS CD C 29.307 0.2 1 835 72 72 LYS CE C 41.626 0.2 1 836 72 72 LYS N N 123.280 0.02 1 837 73 73 ALA H H 9.271 0.02 1 838 73 73 ALA HA H 4.848 0.02 1 839 73 73 ALA HB H 1.492 0.02 1 840 73 73 ALA C C 176.592 0.2 1 841 73 73 ALA CA C 51.029 0.2 1 842 73 73 ALA CB C 21.178 0.2 1 843 73 73 ALA N N 128.197 0.02 1 844 74 74 ARG H H 8.803 0.02 1 845 74 74 ARG HA H 4.966 0.02 1 846 74 74 ARG HB2 H 1.763 0.02 1 847 74 74 ARG HB3 H 1.898 0.02 1 848 74 74 ARG HG2 H 1.493 0.02 2 849 74 74 ARG HG3 H 1.596 0.02 2 850 74 74 ARG HD2 H 3.086 0.02 2 851 74 74 ARG HD3 H 3.216 0.02 2 852 74 74 ARG HE H 7.340 0.02 1 853 74 74 ARG C C 175.973 0.2 1 854 74 74 ARG CA C 55.871 0.2 1 855 74 74 ARG CB C 32.844 0.2 1 856 74 74 ARG CG C 29.396 0.2 1 857 74 74 ARG CD C 42.782 0.2 1 858 74 74 ARG N N 121.814 0.02 1 859 74 74 ARG NE N 84.601 0.02 1 860 75 75 GLY H H 7.846 0.02 1 861 75 75 GLY HA2 H 3.330 0.02 2 862 75 75 GLY HA3 H 4.569 0.02 2 863 75 75 GLY C C 170.934 0.2 1 864 75 75 GLY CA C 44.663 0.2 1 865 75 75 GLY N N 107.384 0.02 1 866 76 76 TRP H H 8.170 0.02 1 867 76 76 TRP HA H 5.351 0.02 1 868 76 76 TRP HB2 H 2.999 0.02 2 869 76 76 TRP HB3 H 3.543 0.02 2 870 76 76 TRP HD1 H 6.496 0.02 1 871 76 76 TRP HE1 H 10.137 0.02 1 872 76 76 TRP HE3 H 7.243 0.02 1 873 76 76 TRP HZ2 H 7.563 0.02 1 874 76 76 TRP HZ3 H 6.921 0.02 1 875 76 76 TRP HH2 H 7.192 0.02 1 876 76 76 TRP C C 173.048 0.2 1 877 76 76 TRP CA C 54.488 0.2 1 878 76 76 TRP CB C 32.327 0.2 1 879 76 76 TRP CD1 C 126.345 0.2 1 880 76 76 TRP CE3 C 120.024 0.2 1 881 76 76 TRP CZ2 C 114.351 0.2 1 882 76 76 TRP CZ3 C 121.434 0.2 1 883 76 76 TRP CH2 C 124.437 0.2 1 884 76 76 TRP N N 117.672 0.02 1 885 76 76 TRP NE1 N 129.150 0.02 1 886 77 77 TRP H H 8.991 0.02 1 887 77 77 TRP HA H 6.226 0.02 1 888 77 77 TRP HB2 H 2.491 0.02 2 889 77 77 TRP HB3 H 2.694 0.02 2 890 77 77 TRP HD1 H 7.354 0.02 1 891 77 77 TRP HE3 H 6.270 0.02 1 892 77 77 TRP HZ2 H 7.452 0.02 1 893 77 77 TRP HZ3 H 6.464 0.02 1 894 77 77 TRP HH2 H 6.384 0.02 1 895 77 77 TRP C C 178.834 0.2 1 896 77 77 TRP CA C 52.713 0.2 1 897 77 77 TRP CB C 35.179 0.2 1 898 77 77 TRP CD1 C 122.785 0.2 1 899 77 77 TRP CE3 C 119.232 0.2 1 900 77 77 TRP CZ2 C 119.941 0.2 1 901 77 77 TRP CZ3 C 118.654 0.2 1 902 77 77 TRP CH2 C 125.243 0.2 1 903 77 77 TRP N N 116.481 0.02 1 904 78 78 GLN H H 9.042 0.02 1 905 78 78 GLN HA H 5.395 0.02 1 906 78 78 GLN HB2 H 2.187 0.02 2 907 78 78 GLN HB3 H 2.353 0.02 2 908 78 78 GLN HG2 H 2.259 0.02 2 909 78 78 GLN HG3 H 2.346 0.02 2 910 78 78 GLN HE21 H 7.599 0.02 2 911 78 78 GLN HE22 H 6.871 0.02 2 912 78 78 GLN C C 175.777 0.2 1 913 78 78 GLN CA C 55.536 0.2 1 914 78 78 GLN CB C 32.373 0.2 1 915 78 78 GLN CG C 33.654 0.2 1 916 78 78 GLN N N 119.109 0.02 1 917 78 78 GLN NE2 N 111.223 0.02 1 918 79 79 PHE H H 8.976 0.02 1 919 79 79 PHE HA H 4.717 0.02 1 920 79 79 PHE HB2 H 3.513 0.02 1 921 79 79 PHE HB3 H 2.714 0.02 1 922 79 79 PHE HD1 H 7.361 0.02 1 923 79 79 PHE HD2 H 7.361 0.02 1 924 79 79 PHE HE1 H 6.904 0.02 1 925 79 79 PHE HE2 H 6.904 0.02 1 926 79 79 PHE HZ H 7.046 0.02 1 927 79 79 PHE C C 177.724 0.2 1 928 79 79 PHE CA C 60.320 0.2 1 929 79 79 PHE CB C 39.760 0.2 1 930 79 79 PHE CD1 C 132.654 0.2 1 931 79 79 PHE CD2 C 132.654 0.2 1 932 79 79 PHE CE1 C 130.456 0.2 1 933 79 79 PHE CE2 C 130.456 0.2 1 934 79 79 PHE CZ C 129.374 0.2 1 935 79 79 PHE N N 125.363 0.02 1 936 80 80 THR H H 9.369 0.02 1 937 80 80 THR HA H 4.771 0.02 1 938 80 80 THR HB H 4.374 0.02 1 939 80 80 THR HG2 H 1.269 0.02 1 940 80 80 THR C C 175.290 0.2 1 941 80 80 THR CA C 63.120 0.2 1 942 80 80 THR CB C 69.239 0.2 1 943 80 80 THR CG2 C 21.333 0.2 1 944 80 80 THR N N 116.036 0.02 1 945 81 81 THR H H 7.699 0.02 1 946 81 81 THR HA H 4.436 0.02 1 947 81 81 THR HB H 3.578 0.02 1 948 81 81 THR HG2 H 0.846 0.02 1 949 81 81 THR C C 172.557 0.2 1 950 81 81 THR CA C 63.575 0.2 1 951 81 81 THR CB C 72.938 0.2 1 952 81 81 THR CG2 C 20.977 0.2 1 953 81 81 THR N N 119.223 0.02 1 954 82 82 ILE H H 8.758 0.02 1 955 82 82 ILE HA H 4.188 0.02 1 956 82 82 ILE HB H 1.574 0.02 1 957 82 82 ILE HG12 H 1.009 0.02 2 958 82 82 ILE HG13 H 0.505 0.02 2 959 82 82 ILE HG2 H 0.737 0.02 1 960 82 82 ILE HD1 H -0.626 0.02 1 961 82 82 ILE C C 173.688 0.2 1 962 82 82 ILE CA C 63.018 0.2 1 963 82 82 ILE CB C 41.140 0.2 1 964 82 82 ILE CG1 C 26.539 0.2 1 965 82 82 ILE CG2 C 18.277 0.2 1 966 82 82 ILE CD1 C 11.762 0.2 1 967 82 82 ILE N N 126.071 0.02 1 968 83 83 GLU H H 9.034 0.02 1 969 83 83 GLU HA H 4.656 0.02 1 970 83 83 GLU HB2 H 1.956 0.02 2 971 83 83 GLU HB3 H 2.031 0.02 2 972 83 83 GLU HG2 H 2.072 0.02 2 973 83 83 GLU HG3 H 2.203 0.02 2 974 83 83 GLU C C 173.680 0.2 1 975 83 83 GLU CA C 53.675 0.2 1 976 83 83 GLU CB C 30.154 0.2 1 977 83 83 GLU CG C 35.268 0.2 1 978 83 83 GLU N N 130.525 0.02 1 979 84 84 ALA H H 8.519 0.02 1 980 84 84 ALA HA H 2.475 0.02 1 981 84 84 ALA HB H 0.831 0.02 1 982 84 84 ALA C C 176.421 0.2 1 983 84 84 ALA CA C 50.458 0.2 1 984 84 84 ALA CB C 17.766 0.2 1 985 84 84 ALA N N 126.744 0.02 1 986 85 85 PRO HA H 2.480 0.02 1 987 85 85 PRO HB2 H 2.226 0.02 1 988 85 85 PRO HB3 H 1.372 0.02 1 989 85 85 PRO HG2 H 1.402 0.02 2 990 85 85 PRO HG3 H 1.686 0.02 2 991 85 85 PRO HD2 H 3.108 0.02 1 992 85 85 PRO HD3 H 3.266 0.02 1 993 85 85 PRO C C 171.507 0.2 1 994 85 85 PRO CA C 63.474 0.2 1 995 85 85 PRO CB C 31.084 0.2 1 996 85 85 PRO CG C 23.805 0.2 1 997 85 85 PRO CD C 47.950 0.2 1 998 86 86 ASP H H 7.581 0.02 1 999 86 86 ASP HA H 4.954 0.02 1 1000 86 86 ASP HB2 H 2.392 0.02 2 1001 86 86 ASP HB3 H 3.219 0.02 2 1002 86 86 ASP C C 177.169 0.2 1 1003 86 86 ASP CA C 55.057 0.2 1 1004 86 86 ASP CB C 43.967 0.2 1 1005 86 86 ASP N N 114.376 0.02 1 1006 87 87 HIS H H 8.118 0.02 1 1007 87 87 HIS HA H 5.822 0.02 1 1008 87 87 HIS HB2 H 3.235 0.02 2 1009 87 87 HIS HB3 H 3.330 0.02 2 1010 87 87 HIS HD2 H 6.936 0.02 1 1011 87 87 HIS HE1 H 8.496 0.02 1 1012 87 87 HIS C C 171.489 0.2 1 1013 87 87 HIS CA C 54.148 0.2 1 1014 87 87 HIS CB C 31.866 0.2 1 1015 87 87 HIS CD2 C 117.034 0.2 1 1016 87 87 HIS CE1 C 136.904 0.2 1 1017 87 87 HIS N N 119.978 0.02 1 1018 87 87 HIS ND1 N 188.918 0.02 1 1019 87 87 HIS NE2 N 177.458 0.02 1 1020 88 88 LEU H H 9.053 0.02 1 1021 88 88 LEU HA H 4.935 0.02 1 1022 88 88 LEU HB2 H 1.551 0.02 1 1023 88 88 LEU HB3 H 1.449 0.02 1 1024 88 88 LEU HG H 1.248 0.02 1 1025 88 88 LEU HD1 H 0.891 0.02 1 1026 88 88 LEU HD2 H 0.224 0.02 1 1027 88 88 LEU C C 173.966 0.2 1 1028 88 88 LEU CA C 53.651 0.2 1 1029 88 88 LEU CB C 46.562 0.2 1 1030 88 88 LEU CG C 27.175 0.2 1 1031 88 88 LEU CD1 C 25.461 0.2 1 1032 88 88 LEU CD2 C 26.370 0.2 1 1033 88 88 LEU N N 129.609 0.02 1 1034 89 89 GLU H H 9.289 0.02 1 1035 89 89 GLU HA H 5.330 0.02 1 1036 89 89 GLU HB2 H 1.867 0.02 1 1037 89 89 GLU HB3 H 2.085 0.02 1 1038 89 89 GLU HG2 H 2.854 0.02 1 1039 89 89 GLU HG3 H 2.005 0.02 1 1040 89 89 GLU C C 175.674 0.2 1 1041 89 89 GLU CA C 54.496 0.2 1 1042 89 89 GLU CB C 34.392 0.2 1 1043 89 89 GLU CG C 36.979 0.2 1 1044 89 89 GLU N N 120.668 0.02 1 1045 90 90 PHE H H 8.103 0.02 1 1046 90 90 PHE HA H 5.233 0.02 1 1047 90 90 PHE HB2 H 2.338 0.02 1 1048 90 90 PHE HB3 H 2.875 0.02 1 1049 90 90 PHE HD1 H 5.952 0.02 1 1050 90 90 PHE HD2 H 5.952 0.02 1 1051 90 90 PHE HE1 H 5.973 0.02 1 1052 90 90 PHE HE2 H 5.973 0.02 1 1053 90 90 PHE HZ H 6.243 0.02 1 1054 90 90 PHE C C 172.087 0.2 1 1055 90 90 PHE CA C 55.497 0.2 1 1056 90 90 PHE CB C 40.539 0.2 1 1057 90 90 PHE CD1 C 130.590 0.2 1 1058 90 90 PHE CD2 C 130.590 0.2 1 1059 90 90 PHE CE1 C 129.360 0.2 1 1060 90 90 PHE CE2 C 129.360 0.2 1 1061 90 90 PHE CZ C 128.416 0.2 1 1062 90 90 PHE N N 116.373 0.02 1 1063 91 91 ASP H H 8.795 0.02 1 1064 91 91 ASP HA H 5.573 0.02 1 1065 91 91 ASP HB2 H 2.684 0.02 1 1066 91 91 ASP HB3 H 2.684 0.02 1 1067 91 91 ASP C C 175.055 0.2 1 1068 91 91 ASP CA C 52.909 0.2 1 1069 91 91 ASP CB C 43.003 0.2 1 1070 91 91 ASP N N 120.198 0.02 1 1071 92 92 ASP H H 9.094 0.02 1 1072 92 92 ASP N N 119.550 0.02 1 1073 93 93 GLY HA2 H 3.509 0.02 2 1074 93 93 GLY HA3 H 4.260 0.02 2 1075 93 93 GLY C C 172.318 0.2 1 1076 93 93 GLY CA C 44.086 0.2 1 1077 94 94 PHE H H 9.104 0.02 1 1078 94 94 PHE HA H 5.038 0.02 1 1079 94 94 PHE HB2 H 2.942 0.02 2 1080 94 94 PHE HB3 H 3.379 0.02 2 1081 94 94 PHE HD1 H 7.464 0.02 1 1082 94 94 PHE HD2 H 7.464 0.02 1 1083 94 94 PHE HE1 H 7.342 0.02 1 1084 94 94 PHE HE2 H 7.342 0.02 1 1085 94 94 PHE HZ H 7.281 0.02 1 1086 94 94 PHE C C 175.033 0.2 1 1087 94 94 PHE CA C 58.055 0.2 1 1088 94 94 PHE CB C 41.250 0.2 1 1089 94 94 PHE CD1 C 132.239 0.2 1 1090 94 94 PHE CD2 C 132.239 0.2 1 1091 94 94 PHE CE1 C 131.030 0.2 1 1092 94 94 PHE CE2 C 131.030 0.2 1 1093 94 94 PHE CZ C 129.400 0.2 1 1094 94 94 PHE N N 119.054 0.02 1 1095 95 95 ALA H H 8.298 0.02 1 1096 95 95 ALA HA H 5.491 0.02 1 1097 95 95 ALA HB H 1.133 0.02 1 1098 95 95 ALA C C 175.991 0.2 1 1099 95 95 ALA CA C 49.381 0.2 1 1100 95 95 ALA CB C 23.536 0.2 1 1101 95 95 ALA N N 124.123 0.02 1 1102 96 96 ASP H H 8.881 0.02 1 1103 96 96 ASP HA H 4.673 0.02 1 1104 96 96 ASP HB2 H 2.659 0.02 2 1105 96 96 ASP HB3 H 3.353 0.02 2 1106 96 96 ASP C C 177.596 0.2 1 1107 96 96 ASP CA C 51.788 0.2 1 1108 96 96 ASP CB C 41.095 0.2 1 1109 96 96 ASP N N 120.744 0.02 1 1110 97 97 GLU H H 8.746 0.02 1 1111 97 97 GLU HA H 3.998 0.02 1 1112 97 97 GLU HB2 H 1.824 0.02 2 1113 97 97 GLU HB3 H 1.922 0.02 2 1114 97 97 GLU HG2 H 1.760 0.02 2 1115 97 97 GLU HG3 H 1.836 0.02 2 1116 97 97 GLU C C 176.870 0.2 1 1117 97 97 GLU CA C 58.381 0.2 1 1118 97 97 GLU CB C 28.863 0.2 1 1119 97 97 GLU CG C 35.052 0.2 1 1120 97 97 GLU N N 114.950 0.02 1 1121 98 98 HIS H H 8.278 0.02 1 1122 98 98 HIS HA H 4.767 0.02 1 1123 98 98 HIS HB2 H 3.227 0.02 2 1124 98 98 HIS HB3 H 3.432 0.02 2 1125 98 98 HIS HD2 H 7.171 0.02 1 1126 98 98 HIS HE1 H 8.254 0.02 1 1127 98 98 HIS C C 175.521 0.2 1 1128 98 98 HIS CA C 54.593 0.2 1 1129 98 98 HIS CB C 29.422 0.2 1 1130 98 98 HIS CD2 C 119.771 0.2 1 1131 98 98 HIS CE1 C 137.297 0.2 1 1132 98 98 HIS N N 117.199 0.02 1 1133 98 98 HIS ND1 N 195.619 0.02 1 1134 98 98 HIS NE2 N 175.257 0.02 1 1135 99 99 GLY H H 8.355 0.02 1 1136 99 99 GLY HA2 H 3.436 0.02 1 1137 99 99 GLY HA3 H 4.238 0.02 1 1138 99 99 GLY C C 173.411 0.2 1 1139 99 99 GLY CA C 45.163 0.2 1 1140 99 99 GLY N N 108.754 0.02 1 1141 100 100 ALA H H 8.485 0.02 1 1142 100 100 ALA HA H 4.642 0.02 1 1143 100 100 ALA HB H 1.428 0.02 1 1144 100 100 ALA C C 175.012 0.2 1 1145 100 100 ALA CA C 49.859 0.2 1 1146 100 100 ALA CB C 18.051 0.2 1 1147 100 100 ALA N N 127.605 0.02 1 1148 101 101 PRO HA H 4.649 0.02 1 1149 101 101 PRO HB2 H 1.872 0.02 2 1150 101 101 PRO HB3 H 2.162 0.02 2 1151 101 101 PRO HG2 H 1.189 0.02 2 1152 101 101 PRO HG3 H 1.800 0.02 2 1153 101 101 PRO HD2 H 3.514 0.02 2 1154 101 101 PRO HD3 H 3.674 0.02 2 1155 101 101 PRO C C 177.187 0.2 1 1156 101 101 PRO CA C 63.289 0.2 1 1157 101 101 PRO CB C 32.321 0.2 1 1158 101 101 PRO CG C 27.302 0.2 1 1159 101 101 PRO CD C 50.265 0.2 1 1160 102 102 VAL H H 8.484 0.02 1 1161 102 102 VAL HA H 4.345 0.02 1 1162 102 102 VAL HB H 2.106 0.02 1 1163 102 102 VAL HG1 H 1.075 0.02 1 1164 102 102 VAL HG2 H 0.985 0.02 1 1165 102 102 VAL C C 177.141 0.2 1 1166 102 102 VAL CA C 61.112 0.2 1 1167 102 102 VAL CB C 31.439 0.2 1 1168 102 102 VAL CG1 C 21.942 0.2 1 1169 102 102 VAL CG2 C 20.230 0.2 1 1170 102 102 VAL N N 124.472 0.02 1 1171 103 103 ASP H H 8.709 0.02 1 1172 103 103 ASP HA H 4.473 0.02 1 1173 103 103 ASP HB2 H 2.676 0.02 2 1174 103 103 ASP HB3 H 2.733 0.02 2 1175 103 103 ASP C C 179.219 0.2 1 1176 103 103 ASP CA C 57.563 0.2 1 1177 103 103 ASP CB C 40.670 0.2 1 1178 103 103 ASP N N 129.585 0.02 1 1179 104 104 GLU H H 9.377 0.02 1 1180 104 104 GLU HA H 4.139 0.02 1 1181 104 104 GLU HB2 H 1.992 0.02 1 1182 104 104 GLU HB3 H 2.076 0.02 1 1183 104 104 GLU HG2 H 2.289 0.02 1 1184 104 104 GLU HG3 H 2.289 0.02 1 1185 104 104 GLU C C 177.105 0.2 1 1186 104 104 GLU CA C 59.194 0.2 1 1187 104 104 GLU CB C 29.017 0.2 1 1188 104 104 GLU CG C 36.186 0.2 1 1189 104 104 GLU N N 118.807 0.02 1 1190 105 105 LEU H H 7.209 0.02 1 1191 105 105 LEU HA H 4.480 0.02 1 1192 105 105 LEU HB2 H 1.795 0.02 2 1193 105 105 LEU HB3 H 1.903 0.02 2 1194 105 105 LEU HG H 1.541 0.02 1 1195 105 105 LEU HD1 H 0.640 0.02 1 1196 105 105 LEU HD2 H 0.742 0.02 1 1197 105 105 LEU C C 177.340 0.2 1 1198 105 105 LEU CA C 54.828 0.2 1 1199 105 105 LEU CB C 42.985 0.2 1 1200 105 105 LEU CG C 27.473 0.2 1 1201 105 105 LEU CD1 C 25.256 0.2 1 1202 105 105 LEU CD2 C 22.780 0.2 1 1203 105 105 LEU N N 116.925 0.02 1 1204 106 106 GLY H H 7.622 0.02 1 1205 106 106 GLY HA2 H 4.142 0.02 2 1206 106 106 GLY HA3 H 4.225 0.02 2 1207 106 106 GLY C C 172.706 0.2 1 1208 106 106 GLY CA C 45.482 0.2 1 1209 106 106 GLY N N 104.879 0.02 1 1210 107 107 VAL H H 8.506 0.02 1 1211 107 107 VAL HA H 4.828 0.02 1 1212 107 107 VAL HB H 2.023 0.02 1 1213 107 107 VAL HG1 H 1.019 0.02 1 1214 107 107 VAL HG2 H 1.146 0.02 1 1215 107 107 VAL C C 176.333 0.2 1 1216 107 107 VAL CA C 61.176 0.2 1 1217 107 107 VAL CB C 35.065 0.2 1 1218 107 107 VAL CG1 C 21.867 0.2 1 1219 107 107 VAL CG2 C 21.364 0.2 1 1220 107 107 VAL N N 120.488 0.02 1 1221 108 108 THR H H 8.971 0.02 1 1222 108 108 THR HA H 4.639 0.02 1 1223 108 108 THR HB H 3.822 0.02 1 1224 108 108 THR HG2 H 0.852 0.02 1 1225 108 108 THR C C 172.510 0.2 1 1226 108 108 THR CA C 60.828 0.2 1 1227 108 108 THR CB C 70.418 0.2 1 1228 108 108 THR CG2 C 22.168 0.2 1 1229 108 108 THR N N 121.537 0.02 1 1230 109 109 HIS H H 8.343 0.02 1 1231 109 109 HIS HA H 5.249 0.02 1 1232 109 109 HIS HB2 H 2.947 0.02 2 1233 109 109 HIS HB3 H 3.189 0.02 2 1234 109 109 HIS HD2 H 6.989 0.02 1 1235 109 109 HIS HE1 H 8.618 0.02 1 1236 109 109 HIS C C 172.468 0.2 1 1237 109 109 HIS CA C 54.326 0.2 1 1238 109 109 HIS CB C 29.880 0.2 1 1239 109 109 HIS CD2 C 119.978 0.2 1 1240 109 109 HIS CE1 C 135.704 0.2 1 1241 109 109 HIS N N 121.222 0.02 1 1242 109 109 HIS NE2 N 174.150 0.02 1 1243 110 110 ALA H H 8.797 0.02 1 1244 110 110 ALA HA H 5.006 0.02 1 1245 110 110 ALA HB H -0.089 0.02 1 1246 110 110 ALA C C 175.799 0.2 1 1247 110 110 ALA CA C 50.166 0.2 1 1248 110 110 ALA CB C 19.664 0.2 1 1249 110 110 ALA N N 132.186 0.02 1 1250 111 111 THR H H 8.769 0.02 1 1251 111 111 THR HA H 4.523 0.02 1 1252 111 111 THR HB H 3.948 0.02 1 1253 111 111 THR HG2 H 1.112 0.02 1 1254 111 111 THR C C 172.386 0.2 1 1255 111 111 THR CA C 61.571 0.2 1 1256 111 111 THR CB C 70.434 0.2 1 1257 111 111 THR CG2 C 20.797 0.2 1 1258 111 111 THR N N 116.711 0.02 1 1259 112 112 VAL H H 9.390 0.02 1 1260 112 112 VAL HA H 4.931 0.02 1 1261 112 112 VAL HB H 1.682 0.02 1 1262 112 112 VAL HG1 H 0.535 0.02 1 1263 112 112 VAL HG2 H 0.245 0.02 1 1264 112 112 VAL C C 175.012 0.2 1 1265 112 112 VAL CA C 60.727 0.2 1 1266 112 112 VAL CB C 33.421 0.2 1 1267 112 112 VAL CG1 C 20.139 0.2 1 1268 112 112 VAL CG2 C 20.237 0.2 1 1269 112 112 VAL N N 127.720 0.02 1 1270 113 113 LYS H H 8.819 0.02 1 1271 113 113 LYS HA H 5.326 0.02 1 1272 113 113 LYS HB2 H 1.681 0.02 1 1273 113 113 LYS HB3 H 1.854 0.02 1 1274 113 113 LYS HG2 H 1.292 0.02 2 1275 113 113 LYS HG3 H 1.346 0.02 2 1276 113 113 LYS HD2 H 1.553 0.02 2 1277 113 113 LYS HD3 H 1.655 0.02 2 1278 113 113 LYS HE2 H 2.636 0.02 2 1279 113 113 LYS HE3 H 2.710 0.02 2 1280 113 113 LYS C C 175.695 0.2 1 1281 113 113 LYS CA C 54.232 0.2 1 1282 113 113 LYS CB C 35.800 0.2 1 1283 113 113 LYS CG C 25.009 0.2 1 1284 113 113 LYS CD C 29.005 0.2 1 1285 113 113 LYS CE C 41.662 0.2 1 1286 113 113 LYS N N 125.455 0.02 1 1287 114 114 LEU H H 8.903 0.02 1 1288 114 114 LEU HA H 5.547 0.02 1 1289 114 114 LEU HB2 H 1.507 0.02 1 1290 114 114 LEU HB3 H 2.233 0.02 1 1291 114 114 LEU HG H 1.715 0.02 1 1292 114 114 LEU HD1 H 1.305 0.02 1 1293 114 114 LEU HD2 H 1.182 0.02 1 1294 114 114 LEU C C 175.994 0.2 1 1295 114 114 LEU CA C 54.208 0.2 1 1296 114 114 LEU CB C 43.549 0.2 1 1297 114 114 LEU CG C 29.571 0.2 1 1298 114 114 LEU CD1 C 25.732 0.2 1 1299 114 114 LEU CD2 C 26.556 0.2 1 1300 114 114 LEU N N 125.385 0.02 1 1301 115 115 GLU H H 9.292 0.02 1 1302 115 115 GLU HA H 5.036 0.02 1 1303 115 115 GLU HB2 H 1.957 0.02 2 1304 115 115 GLU HB3 H 2.095 0.02 2 1305 115 115 GLU HG2 H 2.089 0.02 2 1306 115 115 GLU HG3 H 2.237 0.02 2 1307 115 115 GLU C C 172.898 0.2 1 1308 115 115 GLU CA C 52.332 0.2 1 1309 115 115 GLU CB C 33.540 0.2 1 1310 115 115 GLU CG C 36.679 0.2 1 1311 115 115 GLU N N 120.920 0.02 1 1312 116 116 PRO HA H 4.777 0.02 1 1313 116 116 PRO HB2 H 2.164 0.02 2 1314 116 116 PRO HB3 H 2.355 0.02 2 1315 116 116 PRO HG2 H 2.361 0.02 1 1316 116 116 PRO HG3 H 2.152 0.02 1 1317 116 116 PRO HD2 H 3.946 0.02 1 1318 116 116 PRO HD3 H 3.856 0.02 1 1319 116 116 PRO C C 176.162 0.2 1 1320 116 116 PRO CA C 62.776 0.2 1 1321 116 116 PRO CB C 32.051 0.2 1 1322 116 116 PRO CG C 26.966 0.2 1 1323 116 116 PRO CD C 50.946 0.2 1 1324 117 117 LEU H H 8.445 0.02 1 1325 117 117 LEU HA H 4.638 0.02 1 1326 117 117 LEU HB2 H 1.416 0.02 1 1327 117 117 LEU HB3 H 1.416 0.02 1 1328 117 117 LEU HG H 1.485 0.02 1 1329 117 117 LEU HD1 H 0.752 0.02 1 1330 117 117 LEU HD2 H 0.763 0.02 1 1331 117 117 LEU C C 176.827 0.2 1 1332 117 117 LEU CA C 52.758 0.2 1 1333 117 117 LEU CB C 42.191 0.2 1 1334 117 117 LEU CG C 26.280 0.2 1 1335 117 117 LEU CD1 C 25.734 0.2 1 1336 117 117 LEU CD2 C 23.124 0.2 1 1337 117 117 LEU N N 126.561 0.02 1 1338 118 118 GLU H H 8.752 0.02 1 1339 118 118 GLU HA H 3.847 0.02 1 1340 118 118 GLU HB2 H 2.116 0.02 2 1341 118 118 GLU HB3 H 2.259 0.02 2 1342 118 118 GLU HG2 H 2.251 0.02 2 1343 118 118 GLU HG3 H 2.285 0.02 2 1344 118 118 GLU C C 175.589 0.2 1 1345 118 118 GLU CA C 59.157 0.2 1 1346 118 118 GLU CB C 27.464 0.2 1 1347 118 118 GLU CG C 36.207 0.2 1 1348 118 118 GLU N N 121.522 0.02 1 1349 119 119 ASN H H 8.634 0.02 1 1350 119 119 ASN HA H 4.801 0.02 1 1351 119 119 ASN HB2 H 2.940 0.02 1 1352 119 119 ASN HB3 H 2.940 0.02 1 1353 119 119 ASN HD21 H 7.616 0.02 2 1354 119 119 ASN HD22 H 6.985 0.02 2 1355 119 119 ASN C C 173.624 0.2 1 1356 119 119 ASN CA C 53.935 0.2 1 1357 119 119 ASN CB C 38.046 0.2 1 1358 119 119 ASN N N 120.857 0.02 1 1359 119 119 ASN ND2 N 113.484 0.02 1 1360 120 120 ARG H H 7.853 0.02 1 1361 120 120 ARG HA H 4.941 0.02 1 1362 120 120 ARG HB2 H 1.868 0.02 1 1363 120 120 ARG HB3 H 2.044 0.02 1 1364 120 120 ARG HG2 H 1.635 0.02 2 1365 120 120 ARG HG3 H 1.674 0.02 2 1366 120 120 ARG HD2 H 3.189 0.02 1 1367 120 120 ARG HD3 H 3.189 0.02 1 1368 120 120 ARG HE H 7.310 0.02 1 1369 120 120 ARG HH11 H 6.893 0.02 2 1370 120 120 ARG HH12 H 6.462 0.02 2 1371 120 120 ARG HH21 H 6.893 0.02 2 1372 120 120 ARG HH22 H 6.462 0.02 2 1373 120 120 ARG C C 176.144 0.2 1 1374 120 120 ARG CA C 55.399 0.2 1 1375 120 120 ARG CB C 32.845 0.2 1 1376 120 120 ARG CG C 28.625 0.2 1 1377 120 120 ARG CD C 43.529 0.2 1 1378 120 120 ARG N N 118.618 0.02 1 1379 120 120 ARG NE N 84.837 0.02 1 1380 121 121 THR H H 8.792 0.02 1 1381 121 121 THR HA H 4.938 0.02 1 1382 121 121 THR HB H 3.837 0.02 1 1383 121 121 THR HG1 H 5.973 0.02 1 1384 121 121 THR HG2 H 1.199 0.02 1 1385 121 121 THR C C 172.877 0.2 1 1386 121 121 THR CA C 63.544 0.2 1 1387 121 121 THR CB C 72.879 0.2 1 1388 121 121 THR CG2 C 22.501 0.2 1 1389 121 121 THR N N 117.298 0.02 1 1390 122 122 ARG H H 9.373 0.02 1 1391 122 122 ARG HA H 5.128 0.02 1 1392 122 122 ARG HB2 H 1.755 0.02 2 1393 122 122 ARG HB3 H 1.864 0.02 2 1394 122 122 ARG HG2 H 1.461 0.02 2 1395 122 122 ARG HG3 H 1.669 0.02 2 1396 122 122 ARG HD2 H 3.078 0.02 2 1397 122 122 ARG HD3 H 3.168 0.02 2 1398 122 122 ARG HE H 7.557 0.02 1 1399 122 122 ARG HH11 H 6.854 0.02 2 1400 122 122 ARG HH12 H 6.474 0.02 2 1401 122 122 ARG HH21 H 6.854 0.02 2 1402 122 122 ARG HH22 H 6.474 0.02 2 1403 122 122 ARG C C 174.030 0.2 1 1404 122 122 ARG CA C 54.522 0.2 1 1405 122 122 ARG CB C 33.099 0.2 1 1406 122 122 ARG CG C 27.361 0.2 1 1407 122 122 ARG CD C 43.536 0.2 1 1408 122 122 ARG N N 127.047 0.02 1 1409 122 122 ARG NE N 84.137 0.02 1 1410 123 123 MET H H 9.875 0.02 1 1411 123 123 MET HA H 5.547 0.02 1 1412 123 123 MET HB2 H 1.786 0.02 1 1413 123 123 MET HB3 H 2.437 0.02 1 1414 123 123 MET HG2 H 2.263 0.02 2 1415 123 123 MET HG3 H 2.632 0.02 2 1416 123 123 MET HE H 2.072 0.02 1 1417 123 123 MET C C 173.488 0.2 1 1418 123 123 MET CA C 53.963 0.2 1 1419 123 123 MET CB C 39.430 0.2 1 1420 123 123 MET CG C 32.590 0.2 1 1421 123 123 MET CE C 17.616 0.2 1 1422 123 123 MET N N 130.300 0.02 1 1423 124 124 THR H H 9.168 0.02 1 1424 124 124 THR HA H 5.233 0.02 1 1425 124 124 THR HB H 3.933 0.02 1 1426 124 124 THR HG2 H 1.129 0.02 1 1427 124 124 THR C C 173.700 0.2 1 1428 124 124 THR CA C 62.102 0.2 1 1429 124 124 THR CB C 70.561 0.2 1 1430 124 124 THR CG2 C 20.288 0.2 1 1431 124 124 THR N N 125.511 0.02 1 1432 125 125 ILE H H 9.177 0.02 1 1433 125 125 ILE HA H 5.307 0.02 1 1434 125 125 ILE HB H 1.847 0.02 1 1435 125 125 ILE HG12 H 1.281 0.02 1 1436 125 125 ILE HG13 H 1.777 0.02 1 1437 125 125 ILE HG2 H 1.049 0.02 1 1438 125 125 ILE HD1 H 1.375 0.02 1 1439 125 125 ILE C C 174.500 0.2 1 1440 125 125 ILE CA C 59.592 0.2 1 1441 125 125 ILE CB C 41.066 0.2 1 1442 125 125 ILE CG1 C 27.819 0.2 1 1443 125 125 ILE CG2 C 16.121 0.2 1 1444 125 125 ILE CD1 C 14.396 0.2 1 1445 125 125 ILE N N 125.633 0.02 1 1446 126 126 ILE H H 9.301 0.02 1 1447 126 126 ILE HA H 4.719 0.02 1 1448 126 126 ILE HB H 1.681 0.02 1 1449 126 126 ILE HG12 H 1.003 0.02 1 1450 126 126 ILE HG13 H 1.446 0.02 1 1451 126 126 ILE HG2 H 0.822 0.02 1 1452 126 126 ILE HD1 H 0.780 0.02 1 1453 126 126 ILE C C 176.101 0.2 1 1454 126 126 ILE CA C 60.473 0.2 1 1455 126 126 ILE CB C 40.846 0.2 1 1456 126 126 ILE CG1 C 27.243 0.2 1 1457 126 126 ILE CG2 C 17.504 0.2 1 1458 126 126 ILE CD1 C 14.199 0.2 1 1459 126 126 ILE N N 128.663 0.02 1 1460 127 127 SER H H 9.345 0.02 1 1461 127 127 SER HA H 5.233 0.02 1 1462 127 127 SER HB2 H 3.293 0.02 2 1463 127 127 SER HB3 H 3.661 0.02 2 1464 127 127 SER C C 172.984 0.2 1 1465 127 127 SER CA C 57.537 0.2 1 1466 127 127 SER CB C 64.696 0.2 1 1467 127 127 SER N N 125.865 0.02 1 1468 128 128 THR H H 9.080 0.02 1 1469 128 128 THR HA H 5.271 0.02 1 1470 128 128 THR HB H 4.158 0.02 1 1471 128 128 THR HG2 H 1.265 0.02 1 1472 128 128 THR C C 174.329 0.2 1 1473 128 128 THR CA C 60.282 0.2 1 1474 128 128 THR CB C 70.852 0.2 1 1475 128 128 THR CG2 C 22.162 0.2 1 1476 128 128 THR N N 117.442 0.02 1 1477 129 129 PHE H H 8.513 0.02 1 1478 129 129 PHE HA H 4.847 0.02 1 1479 129 129 PHE HB2 H 2.682 0.02 1 1480 129 129 PHE HB3 H 3.672 0.02 1 1481 129 129 PHE HD1 H 7.256 0.02 1 1482 129 129 PHE HD2 H 7.256 0.02 1 1483 129 129 PHE HE1 H 7.272 0.02 1 1484 129 129 PHE HE2 H 7.272 0.02 1 1485 129 129 PHE HZ H 7.245 0.02 1 1486 129 129 PHE C C 175.009 0.2 1 1487 129 129 PHE CA C 57.243 0.2 1 1488 129 129 PHE CB C 41.637 0.2 1 1489 129 129 PHE CD1 C 132.117 0.2 1 1490 129 129 PHE CD2 C 132.117 0.2 1 1491 129 129 PHE CE1 C 131.262 0.2 1 1492 129 129 PHE CE2 C 131.262 0.2 1 1493 129 129 PHE CZ C 129.066 0.2 1 1494 129 129 PHE N N 123.280 0.02 1 1495 130 130 GLU H H 9.643 0.02 1 1496 130 130 GLU HA H 4.304 0.02 1 1497 130 130 GLU HB2 H 2.205 0.02 1 1498 130 130 GLU HB3 H 2.205 0.02 1 1499 130 130 GLU HG2 H 2.381 0.02 2 1500 130 130 GLU HG3 H 2.760 0.02 2 1501 130 130 GLU C C 177.275 0.2 1 1502 130 130 GLU CA C 57.812 0.2 1 1503 130 130 GLU CB C 31.348 0.2 1 1504 130 130 GLU CG C 36.855 0.2 1 1505 130 130 GLU N N 117.651 0.02 1 1506 131 131 SER H H 7.630 0.02 1 1507 131 131 SER HA H 4.707 0.02 1 1508 131 131 SER HB2 H 4.126 0.02 2 1509 131 131 SER HB3 H 4.316 0.02 2 1510 131 131 SER C C 173.902 0.2 1 1511 131 131 SER CA C 56.895 0.2 1 1512 131 131 SER CB C 66.195 0.2 1 1513 131 131 SER N N 108.265 0.02 1 1514 132 132 GLU H H 9.479 0.02 1 1515 132 132 GLU HA H 3.845 0.02 1 1516 132 132 GLU HB2 H 2.038 0.02 2 1517 132 132 GLU HB3 H 2.107 0.02 2 1518 132 132 GLU HG2 H 2.257 0.02 2 1519 132 132 GLU HG3 H 2.305 0.02 2 1520 132 132 GLU C C 178.151 0.2 1 1521 132 132 GLU CA C 59.730 0.2 1 1522 132 132 GLU CB C 29.282 0.2 1 1523 132 132 GLU CG C 36.650 0.2 1 1524 132 132 GLU N N 123.638 0.02 1 1525 133 133 GLU H H 8.824 0.02 1 1526 133 133 GLU HA H 4.001 0.02 1 1527 133 133 GLU HB2 H 1.952 0.02 2 1528 133 133 GLU HB3 H 2.120 0.02 2 1529 133 133 GLU HG2 H 2.313 0.02 2 1530 133 133 GLU HG3 H 2.351 0.02 2 1531 133 133 GLU C C 178.920 0.2 1 1532 133 133 GLU CA C 59.997 0.2 1 1533 133 133 GLU CB C 28.972 0.2 1 1534 133 133 GLU CG C 36.693 0.2 1 1535 133 133 GLU N N 119.993 0.02 1 1536 134 134 GLN H H 8.138 0.02 1 1537 134 134 GLN HA H 4.030 0.02 1 1538 134 134 GLN HB2 H 2.138 0.02 2 1539 134 134 GLN HB3 H 2.573 0.02 2 1540 134 134 GLN HG2 H 2.314 0.02 2 1541 134 134 GLN HG3 H 2.729 0.02 2 1542 134 134 GLN HE21 H 7.915 0.02 1 1543 134 134 GLN HE22 H 6.722 0.02 1 1544 134 134 GLN C C 177.873 0.2 1 1545 134 134 GLN CA C 59.070 0.2 1 1546 134 134 GLN CB C 28.334 0.2 1 1547 134 134 GLN CG C 32.882 0.2 1 1548 134 134 GLN N N 121.674 0.02 1 1549 134 134 GLN NE2 N 110.919 0.02 1 1550 135 135 MET H H 7.867 0.02 1 1551 135 135 MET HA H 2.913 0.02 1 1552 135 135 MET HB2 H 1.530 0.02 2 1553 135 135 MET HB3 H 2.033 0.02 2 1554 135 135 MET HG2 H 1.468 0.02 2 1555 135 135 MET HG3 H 1.964 0.02 2 1556 135 135 MET HE H 1.924 0.02 1 1557 135 135 MET C C 177.979 0.2 1 1558 135 135 MET CA C 59.730 0.2 1 1559 135 135 MET CB C 32.428 0.2 1 1560 135 135 MET CG C 32.022 0.2 1 1561 135 135 MET CE C 17.827 0.2 1 1562 135 135 MET N N 119.032 0.02 1 1563 136 136 GLN H H 8.342 0.02 1 1564 136 136 GLN HA H 4.051 0.02 1 1565 136 136 GLN HB2 H 2.063 0.02 2 1566 136 136 GLN HB3 H 2.177 0.02 2 1567 136 136 GLN HG2 H 2.387 0.02 2 1568 136 136 GLN HG3 H 2.477 0.02 2 1569 136 136 GLN HE21 H 7.638 0.02 2 1570 136 136 GLN HE22 H 6.746 0.02 2 1571 136 136 GLN C C 178.557 0.2 1 1572 136 136 GLN CA C 58.416 0.2 1 1573 136 136 GLN CB C 27.658 0.2 1 1574 136 136 GLN CG C 33.261 0.2 1 1575 136 136 GLN N N 118.123 0.02 1 1576 136 136 GLN NE2 N 111.381 0.02 1 1577 137 137 LYS H H 8.068 0.02 1 1578 137 137 LYS HA H 4.055 0.02 1 1579 137 137 LYS HB2 H 1.882 0.02 2 1580 137 137 LYS HB3 H 1.962 0.02 2 1581 137 137 LYS HG2 H 1.474 0.02 2 1582 137 137 LYS HG3 H 1.531 0.02 2 1583 137 137 LYS HD2 H 1.665 0.02 1 1584 137 137 LYS HD3 H 1.665 0.02 1 1585 137 137 LYS HE2 H 2.903 0.02 1 1586 137 137 LYS HE3 H 2.903 0.02 1 1587 137 137 LYS C C 179.325 0.2 1 1588 137 137 LYS CA C 58.910 0.2 1 1589 137 137 LYS CB C 31.809 0.2 1 1590 137 137 LYS CG C 24.902 0.2 1 1591 137 137 LYS CD C 28.748 0.2 1 1592 137 137 LYS CE C 41.942 0.2 1 1593 137 137 LYS N N 121.175 0.02 1 1594 138 138 MET H H 8.197 0.02 1 1595 138 138 MET HA H 4.287 0.02 1 1596 138 138 MET HB2 H 2.110 0.02 2 1597 138 138 MET HB3 H 2.051 0.02 2 1598 138 138 MET HG2 H 2.753 0.02 1 1599 138 138 MET HG3 H 2.907 0.02 1 1600 138 138 MET HE H 2.249 0.02 1 1601 138 138 MET C C 178.898 0.2 1 1602 138 138 MET CA C 57.778 0.2 1 1603 138 138 MET CB C 31.745 0.2 1 1604 138 138 MET CG C 33.404 0.2 1 1605 138 138 MET CE C 18.853 0.2 1 1606 138 138 MET N N 117.366 0.02 1 1607 139 139 ALA H H 8.107 0.02 1 1608 139 139 ALA HA H 4.182 0.02 1 1609 139 139 ALA HB H 1.474 0.02 1 1610 139 139 ALA C C 182.571 0.2 1 1611 139 139 ALA CA C 54.906 0.2 1 1612 139 139 ALA CB C 17.534 0.2 1 1613 139 139 ALA N N 123.268 0.02 1 1614 140 140 GLU H H 8.359 0.02 1 1615 140 140 GLU HA H 4.042 0.02 1 1616 140 140 GLU HB2 H 2.211 0.02 2 1617 140 140 GLU HB3 H 2.148 0.02 2 1618 140 140 GLU HG2 H 2.303 0.02 2 1619 140 140 GLU HG3 H 2.479 0.02 2 1620 140 140 GLU C C 178.172 0.2 1 1621 140 140 GLU CA C 58.897 0.2 1 1622 140 140 GLU CB C 29.297 0.2 1 1623 140 140 GLU CG C 36.397 0.2 1 1624 140 140 GLU N N 121.173 0.02 1 1625 141 141 MET H H 7.649 0.02 1 1626 141 141 MET HA H 4.328 0.02 1 1627 141 141 MET HB2 H 2.142 0.02 2 1628 141 141 MET HB3 H 2.270 0.02 2 1629 141 141 MET HG2 H 2.584 0.02 2 1630 141 141 MET HG3 H 2.686 0.02 2 1631 141 141 MET HE H 1.836 0.02 1 1632 141 141 MET C C 176.144 0.2 1 1633 141 141 MET CA C 56.156 0.2 1 1634 141 141 MET CB C 33.396 0.2 1 1635 141 141 MET CG C 32.019 0.2 1 1636 141 141 MET CE C 16.588 0.2 1 1637 141 141 MET N N 116.116 0.02 1 1638 142 142 GLY H H 7.795 0.02 1 1639 142 142 GLY HA2 H 3.980 0.02 2 1640 142 142 GLY HA3 H 4.216 0.02 2 1641 142 142 GLY CA C 45.566 0.2 1 1642 142 142 GLY N N 105.954 0.02 1 1643 143 143 MET H H 7.807 0.02 1 1644 143 143 MET HA H 4.066 0.02 1 1645 143 143 MET HB2 H 1.817 0.02 2 1646 143 143 MET HB3 H 2.082 0.02 2 1647 143 143 MET HG2 H 2.415 0.02 2 1648 143 143 MET HG3 H 2.706 0.02 2 1649 143 143 MET HE H 2.030 0.02 1 1650 143 143 MET C C 177.528 0.2 1 1651 143 143 MET CA C 58.860 0.2 1 1652 143 143 MET CB C 32.873 0.2 1 1653 143 143 MET CG C 32.403 0.2 1 1654 143 143 MET CE C 17.690 0.2 1 1655 143 143 MET N N 118.744 0.02 1 1656 144 144 GLU H H 8.418 0.02 1 1657 144 144 GLU HA H 3.646 0.02 1 1658 144 144 GLU HB2 H 1.717 0.02 1 1659 144 144 GLU HB3 H 1.717 0.02 1 1660 144 144 GLU HG2 H 1.305 0.02 2 1661 144 144 GLU HG3 H 1.756 0.02 2 1662 144 144 GLU C C 178.447 0.2 1 1663 144 144 GLU CA C 59.449 0.2 1 1664 144 144 GLU CB C 28.746 0.2 1 1665 144 144 GLU CG C 35.343 0.2 1 1666 144 144 GLU N N 118.361 0.02 1 1667 145 145 GLU H H 7.957 0.02 1 1668 145 145 GLU HA H 4.114 0.02 1 1669 145 145 GLU HB2 H 2.018 0.02 1 1670 145 145 GLU HB3 H 2.018 0.02 1 1671 145 145 GLU HG2 H 2.308 0.02 2 1672 145 145 GLU HG3 H 2.376 0.02 2 1673 145 145 GLU C C 178.792 0.2 1 1674 145 145 GLU CA C 58.923 0.2 1 1675 145 145 GLU CB C 29.048 0.2 1 1676 145 145 GLU CG C 36.386 0.2 1 1677 145 145 GLU N N 118.582 0.02 1 1678 146 146 GLY H H 8.250 0.02 1 1679 146 146 GLY HA2 H 3.806 0.02 1 1680 146 146 GLY HA3 H 3.806 0.02 1 1681 146 146 GLY C C 175.585 0.2 1 1682 146 146 GLY CA C 47.124 0.2 1 1683 146 146 GLY N N 106.346 0.02 1 1684 147 147 MET H H 8.085 0.02 1 1685 147 147 MET HA H 4.186 0.02 1 1686 147 147 MET HB2 H 2.106 0.02 2 1687 147 147 MET HB3 H 2.274 0.02 2 1688 147 147 MET HG2 H 2.606 0.02 2 1689 147 147 MET HG3 H 2.713 0.02 2 1690 147 147 MET HE H 2.133 0.02 1 1691 147 147 MET C C 178.126 0.2 1 1692 147 147 MET CA C 58.622 0.2 1 1693 147 147 MET CB C 33.109 0.2 1 1694 147 147 MET CG C 32.806 0.2 1 1695 147 147 MET CE C 17.055 0.2 1 1696 147 147 MET N N 119.793 0.02 1 1697 148 148 ARG H H 7.695 0.02 1 1698 148 148 ARG HA H 3.854 0.02 1 1699 148 148 ARG HB2 H 1.965 0.02 2 1700 148 148 ARG HB3 H 2.115 0.02 2 1701 148 148 ARG HG2 H 1.694 0.02 1 1702 148 148 ARG HG3 H 1.694 0.02 1 1703 148 148 ARG HD2 H 3.258 0.02 2 1704 148 148 ARG HD3 H 3.333 0.02 2 1705 148 148 ARG HE H 7.708 0.02 1 1706 148 148 ARG C C 177.724 0.2 1 1707 148 148 ARG CA C 60.823 0.2 1 1708 148 148 ARG CB C 29.571 0.2 1 1709 148 148 ARG CG C 28.007 0.2 1 1710 148 148 ARG CD C 43.273 0.2 1 1711 148 148 ARG N N 118.527 0.02 1 1712 148 148 ARG NE N 83.888 0.02 1 1713 149 149 GLU H H 8.378 0.02 1 1714 149 149 GLU HA H 4.008 0.02 1 1715 149 149 GLU HB2 H 2.023 0.02 2 1716 149 149 GLU HB3 H 2.242 0.02 2 1717 149 149 GLU HG2 H 2.330 0.02 2 1718 149 149 GLU HG3 H 2.640 0.02 2 1719 149 149 GLU C C 179.496 0.2 1 1720 149 149 GLU CA C 59.162 0.2 1 1721 149 149 GLU CB C 29.831 0.2 1 1722 149 149 GLU CG C 36.713 0.2 1 1723 149 149 GLU N N 116.043 0.02 1 1724 150 150 ALA H H 8.316 0.02 1 1725 150 150 ALA HA H 4.362 0.02 1 1726 150 150 ALA HB H 1.588 0.02 1 1727 150 150 ALA C C 180.607 0.2 1 1728 150 150 ALA CA C 55.360 0.2 1 1729 150 150 ALA CB C 18.029 0.2 1 1730 150 150 ALA N N 122.818 0.02 1 1731 151 151 ILE H H 8.226 0.02 1 1732 151 151 ILE HA H 3.704 0.02 1 1733 151 151 ILE HB H 2.066 0.02 1 1734 151 151 ILE HG12 H 1.324 0.02 1 1735 151 151 ILE HG13 H 2.023 0.02 1 1736 151 151 ILE HG2 H 0.867 0.02 1 1737 151 151 ILE HD1 H 0.977 0.02 1 1738 151 151 ILE C C 180.051 0.2 1 1739 151 151 ILE CA C 63.384 0.2 1 1740 151 151 ILE CB C 37.528 0.2 1 1741 151 151 ILE CG1 C 30.670 0.2 1 1742 151 151 ILE CG2 C 18.090 0.2 1 1743 151 151 ILE CD1 C 14.655 0.2 1 1744 151 151 ILE N N 118.438 0.02 1 1745 152 152 GLU H H 8.279 0.02 1 1746 152 152 GLU HA H 4.432 0.02 1 1747 152 152 GLU HB2 H 2.236 0.02 2 1748 152 152 GLU HB3 H 2.300 0.02 2 1749 152 152 GLU HG2 H 2.506 0.02 2 1750 152 152 GLU HG3 H 2.719 0.02 2 1751 152 152 GLU C C 178.066 0.2 1 1752 152 152 GLU CA C 58.874 0.2 1 1753 152 152 GLU CB C 29.838 0.2 1 1754 152 152 GLU CG C 36.971 0.2 1 1755 152 152 GLU N N 120.938 0.02 1 1756 153 153 GLN H H 7.894 0.02 1 1757 153 153 GLN HA H 4.378 0.02 1 1758 153 153 GLN HB2 H 2.501 0.02 2 1759 153 153 GLN HB3 H 2.679 0.02 2 1760 153 153 GLN HG2 H 2.333 0.02 2 1761 153 153 GLN HG3 H 3.103 0.02 2 1762 153 153 GLN HE21 H 7.868 0.02 2 1763 153 153 GLN HE22 H 7.932 0.02 2 1764 153 153 GLN C C 177.532 0.2 1 1765 153 153 GLN CA C 57.256 0.2 1 1766 153 153 GLN CB C 31.480 0.2 1 1767 153 153 GLN CG C 35.854 0.2 1 1768 153 153 GLN N N 114.701 0.02 1 1769 153 153 GLN NE2 N 115.543 0.02 1 1770 154 154 ILE H H 7.937 0.02 1 1771 154 154 ILE HA H 2.983 0.02 1 1772 154 154 ILE HB H 1.494 0.02 1 1773 154 154 ILE HG12 H -0.690 0.02 1 1774 154 154 ILE HG13 H 1.274 0.02 1 1775 154 154 ILE HG2 H -0.372 0.02 1 1776 154 154 ILE HD1 H -0.466 0.02 1 1777 154 154 ILE C C 176.720 0.2 1 1778 154 154 ILE CA C 66.025 0.2 1 1779 154 154 ILE CB C 36.895 0.2 1 1780 154 154 ILE CG1 C 29.686 0.2 1 1781 154 154 ILE CG2 C 17.987 0.2 1 1782 154 154 ILE CD1 C 13.829 0.2 1 1783 154 154 ILE N N 118.362 0.02 1 1784 155 155 ASP H H 8.158 0.02 1 1785 155 155 ASP HA H 4.107 0.02 1 1786 155 155 ASP HB2 H 2.673 0.02 2 1787 155 155 ASP HB3 H 2.730 0.02 2 1788 155 155 ASP C C 178.407 0.2 1 1789 155 155 ASP CA C 57.821 0.2 1 1790 155 155 ASP CB C 40.003 0.2 1 1791 155 155 ASP N N 115.771 0.02 1 1792 156 156 ALA H H 8.129 0.02 1 1793 156 156 ALA HA H 4.216 0.02 1 1794 156 156 ALA HB H 1.508 0.02 1 1795 156 156 ALA C C 180.304 0.2 1 1796 156 156 ALA CA C 54.527 0.2 1 1797 156 156 ALA CB C 18.131 0.2 1 1798 156 156 ALA N N 119.764 0.02 1 1799 157 157 VAL H H 7.386 0.02 1 1800 157 157 VAL HA H 3.632 0.02 1 1801 157 157 VAL HB H 2.125 0.02 1 1802 157 157 VAL HG1 H 0.873 0.02 1 1803 157 157 VAL HG2 H 1.004 0.02 1 1804 157 157 VAL C C 178.023 0.2 1 1805 157 157 VAL CA C 65.813 0.2 1 1806 157 157 VAL CB C 31.622 0.2 1 1807 157 157 VAL CG1 C 21.312 0.2 1 1808 157 157 VAL CG2 C 23.549 0.2 1 1809 157 157 VAL N N 120.025 0.02 1 1810 158 158 LEU H H 7.855 0.02 1 1811 158 158 LEU HA H 3.978 0.02 1 1812 158 158 LEU HB2 H 1.783 0.02 1 1813 158 158 LEU HB3 H 1.278 0.02 1 1814 158 158 LEU HG H 1.437 0.02 1 1815 158 158 LEU HD1 H 0.316 0.02 1 1816 158 158 LEU HD2 H 0.438 0.02 1 1817 158 158 LEU C C 177.974 0.2 1 1818 158 158 LEU CA C 55.936 0.2 1 1819 158 158 LEU CB C 42.161 0.2 1 1820 158 158 LEU CG C 25.982 0.2 1 1821 158 158 LEU CD1 C 27.611 0.2 1 1822 158 158 LEU CD2 C 22.965 0.2 1 1823 158 158 LEU N N 116.236 0.02 1 1824 159 159 SER H H 7.501 0.02 1 1825 159 159 SER HA H 4.390 0.02 1 1826 159 159 SER HB2 H 3.935 0.02 2 1827 159 159 SER HB3 H 4.009 0.02 2 1828 159 159 SER C C 174.094 0.2 1 1829 159 159 SER CA C 59.164 0.2 1 1830 159 159 SER CB C 63.866 0.2 1 1831 159 159 SER N N 112.474 0.02 1 1832 160 160 GLU H H 7.658 0.02 1 1833 160 160 GLU HA H 4.647 0.02 1 1834 160 160 GLU HB2 H 1.980 0.02 2 1835 160 160 GLU HB3 H 2.042 0.02 2 1836 160 160 GLU HG2 H 2.314 0.02 2 1837 160 160 GLU HG3 H 2.398 0.02 2 1838 160 160 GLU C C 174.329 0.2 1 1839 160 160 GLU CA C 54.294 0.2 1 1840 160 160 GLU CB C 29.824 0.2 1 1841 160 160 GLU CG C 35.854 0.2 1 1842 160 160 GLU N N 123.246 0.02 1 1843 161 161 PRO HA H 4.422 0.02 1 1844 161 161 PRO HB2 H 1.921 0.02 1 1845 161 161 PRO HB3 H 2.303 0.02 1 1846 161 161 PRO HG2 H 2.022 0.02 1 1847 161 161 PRO HG3 H 2.022 0.02 1 1848 161 161 PRO HD2 H 3.690 0.02 1 1849 161 161 PRO HD3 H 3.844 0.02 1 1850 161 161 PRO C C 176.973 0.2 1 1851 161 161 PRO CA C 63.183 0.2 1 1852 161 161 PRO CB C 32.025 0.2 1 1853 161 161 PRO CG C 27.361 0.2 1 1854 161 161 PRO CD C 50.539 0.2 1 1855 162 162 ALA H H 8.495 0.02 1 1856 162 162 ALA HA H 4.208 0.02 1 1857 162 162 ALA HB H 1.356 0.02 1 1858 162 162 ALA C C 177.745 0.2 1 1859 162 162 ALA CA C 52.860 0.2 1 1860 162 162 ALA CB C 18.871 0.2 1 1861 162 162 ALA N N 123.685 0.02 1 1862 163 163 ASN H H 8.279 0.02 1 1863 163 163 ASN HA H 4.642 0.02 1 1864 163 163 ASN HB2 H 2.773 0.02 2 1865 163 163 ASN HB3 H 2.818 0.02 2 1866 163 163 ASN HD21 H 7.649 0.02 2 1867 163 163 ASN HD22 H 6.921 0.02 2 1868 163 163 ASN C C 175.140 0.2 1 1869 163 163 ASN CA C 53.108 0.2 1 1870 163 163 ASN CB C 38.680 0.2 1 1871 163 163 ASN N N 116.949 0.02 1 1872 163 163 ASN ND2 N 112.729 0.02 1 1873 164 164 ALA H H 8.193 0.02 1 1874 164 164 ALA HA H 4.240 0.02 1 1875 164 164 ALA HB H 1.386 0.02 1 1876 164 164 ALA C C 177.852 0.2 1 1877 164 164 ALA CA C 52.871 0.2 1 1878 164 164 ALA CB C 19.025 0.2 1 1879 164 164 ALA N N 124.004 0.02 1 1880 165 165 LEU H H 8.114 0.02 1 1881 165 165 LEU HA H 4.240 0.02 1 1882 165 165 LEU HB2 H 1.518 0.02 2 1883 165 165 LEU HB3 H 1.623 0.02 2 1884 165 165 LEU HG H 1.604 0.02 1 1885 165 165 LEU HD1 H 0.899 0.02 2 1886 165 165 LEU HD2 H 0.837 0.02 2 1887 165 165 LEU C C 177.553 0.2 1 1888 165 165 LEU CA C 55.330 0.2 1 1889 165 165 LEU CB C 42.064 0.2 1 1890 165 165 LEU CG C 26.849 0.2 1 1891 165 165 LEU CD1 C 24.904 0.2 1 1892 165 165 LEU CD2 C 23.272 0.2 1 1893 165 165 LEU N N 120.002 0.02 1 1894 166 166 GLU H H 8.123 0.02 1 1895 166 166 GLU HA H 4.165 0.02 1 1896 166 166 GLU HB2 H 1.873 0.02 2 1897 166 166 GLU HB3 H 1.917 0.02 2 1898 166 166 GLU HG2 H 2.134 0.02 2 1899 166 166 GLU HG3 H 2.191 0.02 2 1900 166 166 GLU C C 176.272 0.2 1 1901 166 166 GLU CA C 56.553 0.2 1 1902 166 166 GLU CB C 30.120 0.2 1 1903 166 166 GLU CG C 36.047 0.2 1 1904 166 166 GLU N N 120.226 0.02 1 1905 167 167 HIS H H 8.240 0.02 1 1906 167 167 HIS C C 174.902 0.2 1 1907 167 167 HIS CA C 55.860 0.2 1 1908 167 167 HIS CB C 29.909 0.2 1 1909 167 167 HIS N N 119.309 0.02 1 stop_ save_