data_18180 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the uncharacterized protein from gene locus rrnAC0354 of Haloarcula marismortui. Northeast Structural Genomics Consortium Target HmR11. ; _BMRB_accession_number 18180 _BMRB_flat_file_name bmr18180.str _Entry_type original _Submission_date 2012-01-05 _Accession_date 2012-01-05 _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 Rossi Paolo . . 2 Liu Gaohua . . 3 Lange Oliver F. . 4 Lee Hsiau-Wei . . 5 Janjua Haleema . . 6 Ciccosanti Colleen . . 7 Wang Huang . . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1057 "13C chemical shifts" 803 "15N chemical shifts" 197 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-12 original author . stop_ _Original_release_date 2012-01-12 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of the uncharacterized protein from gene locus rrnAC0354 of Haloarcula marismortui. Northeast Structural Genomics Consortium Target HmR11.' _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 Rossi Paolo . . 2 Liu Gaohua . . 3 Lange Oliver F. . 4 Lee Hsiau-Wei . . 5 Janjua Haleema . . 6 Ciccosanti Colleen . . 7 Wang Huang . . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Montelione Gaetano T. . 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 HmR11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HmR11 $HmR11 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_HmR11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HmR11 _Molecular_mass 21399.959 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; MDEDTEDWETQLQANRDEKD RFFSEHRQSPIPPEERDDFD GLSYFDPDPDYRVEATVTVH ETPESVDLETSDDRTVRYLH VATLSFDLDGESRDLHAFRQ AADESRTLFVPFRDKTTGQQ SYDGGRYMELEPDRDLSDGD EITLDFNLAYSPFCAYSDTF SCPLPPESNWLETAVTAGER TDLEH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 GLU 4 ASP 5 THR 6 GLU 7 ASP 8 TRP 9 GLU 10 THR 11 GLN 12 LEU 13 GLN 14 ALA 15 ASN 16 ARG 17 ASP 18 GLU 19 LYS 20 ASP 21 ARG 22 PHE 23 PHE 24 SER 25 GLU 26 HIS 27 ARG 28 GLN 29 SER 30 PRO 31 ILE 32 PRO 33 PRO 34 GLU 35 GLU 36 ARG 37 ASP 38 ASP 39 PHE 40 ASP 41 GLY 42 LEU 43 SER 44 TYR 45 PHE 46 ASP 47 PRO 48 ASP 49 PRO 50 ASP 51 TYR 52 ARG 53 VAL 54 GLU 55 ALA 56 THR 57 VAL 58 THR 59 VAL 60 HIS 61 GLU 62 THR 63 PRO 64 GLU 65 SER 66 VAL 67 ASP 68 LEU 69 GLU 70 THR 71 SER 72 ASP 73 ASP 74 ARG 75 THR 76 VAL 77 ARG 78 TYR 79 LEU 80 HIS 81 VAL 82 ALA 83 THR 84 LEU 85 SER 86 PHE 87 ASP 88 LEU 89 ASP 90 GLY 91 GLU 92 SER 93 ARG 94 ASP 95 LEU 96 HIS 97 ALA 98 PHE 99 ARG 100 GLN 101 ALA 102 ALA 103 ASP 104 GLU 105 SER 106 ARG 107 THR 108 LEU 109 PHE 110 VAL 111 PRO 112 PHE 113 ARG 114 ASP 115 LYS 116 THR 117 THR 118 GLY 119 GLN 120 GLN 121 SER 122 TYR 123 ASP 124 GLY 125 GLY 126 ARG 127 TYR 128 MET 129 GLU 130 LEU 131 GLU 132 PRO 133 ASP 134 ARG 135 ASP 136 LEU 137 SER 138 ASP 139 GLY 140 ASP 141 GLU 142 ILE 143 THR 144 LEU 145 ASP 146 PHE 147 ASN 148 LEU 149 ALA 150 TYR 151 SER 152 PRO 153 PHE 154 CYS 155 ALA 156 TYR 157 SER 158 ASP 159 THR 160 PHE 161 SER 162 CYS 163 PRO 164 LEU 165 PRO 166 PRO 167 GLU 168 SER 169 ASN 170 TRP 171 LEU 172 GLU 173 THR 174 ALA 175 VAL 176 THR 177 ALA 178 GLY 179 GLU 180 ARG 181 THR 182 ASP 183 LEU 184 GLU 185 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LNU "Solution Nmr Structure Of The Uncharacterized Protein From Gene Locus Rrnac0354 Of Haloarcula Marismortui, Northeast Structural" 100.00 190 100.00 100.00 1.49e-129 GB AAV45400 "unknown [Haloarcula marismortui ATCC 43049]" 98.38 182 100.00 100.00 6.19e-127 GB EMA13016 "hypothetical protein C436_11403 [Haloarcula sinaiiensis ATCC 33800]" 98.38 182 99.45 99.45 2.06e-126 GB EMA22096 "hypothetical protein C435_05698 [Haloarcula californiae ATCC 33799]" 98.38 182 98.90 99.45 6.36e-126 REF WP_004962568 "hypothetical protein [Haloarcula sinaiiensis]" 98.38 182 99.45 99.45 2.06e-126 REF WP_007188424 "hypothetical protein [Haloarcula californiae]" 98.38 182 98.90 99.45 6.36e-126 REF WP_011222974 "hypothetical protein [Haloarcula marismortui]" 98.38 182 100.00 100.00 6.19e-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 _Gene_mnemonic $HmR11 'Haloarcula marismortui' 2238 Archaea . Haloarcula marismortui rrnAC0354 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 $HmR11 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.7 mM [U-100% 13C; U-100% 15N] HmR11, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HmR11 0.7 mM '[U-100% 13C; U-100% 15N]' NaN3-2 0.02 % 'natural abundance' DTT-3 10 mM 'natural abundance' CaCL2-4 5 mM 'natural abundance' NaCL-5 100 mM 'natural abundance' 'Proteinase Inhibitors-6' 1 x 'natural abundance' 'MES pH 6.5-7' 20 mM 'natural abundance' D2O-8 10 % 'natural abundance' DSS-9 50 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.2 mM [5% 13C; U-100% 15N] HmR11, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HmR11 1.2 mM '[U-5% 13C; U-100% 15N]' NaN3-2 0.02 % 'natural abundance' DTT-3 10 mM 'natural abundance' CaCL2-4 5 mM 'natural abundance' NaCL-5 100 mM 'natural abundance' 'Proteinase Inhibitors-6' 1 x 'natural abundance' 'MES pH 6.5-7' 20 mM 'natural abundance' D2O-8 10 % 'natural abundance' DSS-9 50 uM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 0.75 mM [5% 13C; U-100% 15N] HmR11, 95% H2O/5% D2O split and aligned in PEG & Phage ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HmR11 0.75 mM '[U-5% 13C; U-100% 15N]' NaN3-2 0.02 % 'natural abundance' DTT-3 10 mM 'natural abundance' CaCL2-4 5 mM 'natural abundance' NaCL-5 100 mM 'natural abundance' 'Proteinase Inhibitors-6' 1 x 'natural abundance' 'MES pH 6.5-7' 20 mM 'natural abundance' D2O-8 10 % 'natural abundance' DSS-9 50 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . 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_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 . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . 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 . 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 . loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' 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_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $sample_1 save_ save_3D_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_hetnoe_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D hetnoe' _Sample_label $sample_2 save_ save_1D_T1_inv.rec_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1D T1 inv.rec' _Sample_label $sample_2 save_ save_1D_T2_CPMG_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1D T2 CPMG' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_highres_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC highres' _Sample_label $sample_2 save_ save_Jmod_15N_TROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'Jmod 15N TROSY' _Sample_label $sample_3 save_ save_jmod_15N_TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'jmod 15N TROSY' _Sample_label $sample_3 save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D hetnoe' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1D T1 inv.rec' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1D T2 CPMG' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC highres' _BMRB_pulse_sequence_accession_number . _Details . 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HmR11 _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 MET HA H 4.131 0.02 1 2 1 1 MET HB2 H 2.602 0.02 2 3 1 1 MET HB3 H 2.602 0.02 2 4 1 1 MET HG2 H 2.299 0.02 2 5 1 1 MET HG3 H 2.284 0.02 2 6 1 1 MET HE H 2.079 0.02 1 7 1 1 MET CA C 55.198 0.3 1 8 1 1 MET CB C 30.943 0.3 1 9 1 1 MET CG C 32.517 0.3 1 10 1 1 MET CE C 16.847 0.3 1 11 2 2 ASP HA H 4.641 0.02 1 12 2 2 ASP HB2 H 2.657 0.02 2 13 2 2 ASP HB3 H 2.790 0.02 2 14 2 2 ASP C C 176.238 0.3 1 15 2 2 ASP CA C 54.757 0.3 1 16 2 2 ASP CB C 41.046 0.3 1 17 3 3 GLU H H 8.696 0.02 1 18 3 3 GLU HA H 4.260 0.02 1 19 3 3 GLU HB2 H 1.971 0.02 2 20 3 3 GLU HB3 H 2.078 0.02 2 21 3 3 GLU HG2 H 2.310 0.02 2 22 3 3 GLU HG3 H 2.310 0.02 2 23 3 3 GLU C C 177.028 0.3 1 24 3 3 GLU CA C 57.418 0.3 1 25 3 3 GLU CB C 30.075 0.3 1 26 3 3 GLU CG C 36.160 0.3 1 27 3 3 GLU N N 121.287 0.3 1 28 4 4 ASP H H 8.526 0.02 1 29 4 4 ASP HA H 4.710 0.02 1 30 4 4 ASP HB2 H 2.808 0.02 2 31 4 4 ASP HB3 H 2.764 0.02 2 32 4 4 ASP C C 177.699 0.3 1 33 4 4 ASP CA C 54.757 0.3 1 34 4 4 ASP CB C 41.069 0.3 1 35 4 4 ASP N N 121.025 0.3 1 36 5 5 THR H H 8.220 0.02 1 37 5 5 THR HA H 4.347 0.02 1 38 5 5 THR HB H 4.391 0.02 1 39 5 5 THR HG2 H 1.260 0.02 1 40 5 5 THR C C 175.861 0.3 1 41 5 5 THR CA C 63.590 0.3 1 42 5 5 THR CB C 69.380 0.3 1 43 5 5 THR CG2 C 21.915 0.3 1 44 5 5 THR N N 115.498 0.3 1 45 6 6 GLU H H 8.493 0.02 1 46 6 6 GLU HA H 4.310 0.02 1 47 6 6 GLU HB2 H 2.083 0.02 2 48 6 6 GLU HB3 H 2.083 0.02 2 49 6 6 GLU HG2 H 2.373 0.02 2 50 6 6 GLU HG3 H 2.313 0.02 2 51 6 6 GLU C C 178.209 0.3 1 52 6 6 GLU CA C 58.373 0.3 1 53 6 6 GLU CB C 29.991 0.3 1 54 6 6 GLU CG C 36.250 0.3 1 55 6 6 GLU N N 123.169 0.3 1 56 7 7 ASP H H 8.480 0.02 1 57 7 7 ASP HA H 4.566 0.02 1 58 7 7 ASP HB2 H 2.806 0.02 2 59 7 7 ASP HB3 H 2.806 0.02 2 60 7 7 ASP C C 177.666 0.3 1 61 7 7 ASP CA C 55.828 0.3 1 62 7 7 ASP CB C 40.939 0.3 1 63 7 7 ASP N N 121.579 0.3 1 64 8 8 TRP H H 8.397 0.02 1 65 8 8 TRP HA H 4.265 0.02 1 66 8 8 TRP HB2 H 3.437 0.02 2 67 8 8 TRP HB3 H 3.400 0.02 2 68 8 8 TRP HD1 H 7.334 0.02 1 69 8 8 TRP HE1 H 10.634 0.02 1 70 8 8 TRP HE3 H 7.829 0.02 1 71 8 8 TRP HZ2 H 7.613 0.02 1 72 8 8 TRP HZ3 H 6.998 0.02 1 73 8 8 TRP HH2 H 6.655 0.02 1 74 8 8 TRP C C 177.979 0.3 1 75 8 8 TRP CA C 61.579 0.3 1 76 8 8 TRP CB C 27.873 0.3 1 77 8 8 TRP CD1 C 127.324 0.3 1 78 8 8 TRP CE3 C 121.419 0.3 1 79 8 8 TRP CZ2 C 114.415 0.3 1 80 8 8 TRP CZ3 C 121.262 0.3 1 81 8 8 TRP CH2 C 122.458 0.3 1 82 8 8 TRP N N 122.978 0.3 1 83 8 8 TRP NE1 N 130.906 0.3 1 84 9 9 GLU H H 10.280 0.02 1 85 9 9 GLU HA H 2.888 0.02 1 86 9 9 GLU HB2 H 2.098 0.02 2 87 9 9 GLU HB3 H 1.991 0.02 2 88 9 9 GLU HG2 H 2.055 0.02 2 89 9 9 GLU HG3 H 2.055 0.02 2 90 9 9 GLU C C 179.126 0.3 1 91 9 9 GLU CA C 60.184 0.3 1 92 9 9 GLU CB C 29.277 0.3 1 93 9 9 GLU CG C 36.712 0.3 1 94 9 9 GLU N N 122.265 0.3 1 95 10 10 THR H H 8.106 0.02 1 96 10 10 THR HA H 3.834 0.02 1 97 10 10 THR HB H 4.244 0.02 1 98 10 10 THR HG2 H 1.232 0.02 1 99 10 10 THR C C 177.879 0.3 1 100 10 10 THR CA C 66.331 0.3 1 101 10 10 THR CB C 68.580 0.3 1 102 10 10 THR CG2 C 21.706 0.3 1 103 10 10 THR N N 116.307 0.3 1 104 11 11 GLN H H 8.093 0.02 1 105 11 11 GLN HA H 4.033 0.02 1 106 11 11 GLN HB2 H 2.093 0.02 2 107 11 11 GLN HB3 H 2.093 0.02 2 108 11 11 GLN HG2 H 2.458 0.02 2 109 11 11 GLN HG3 H 2.350 0.02 2 110 11 11 GLN C C 178.298 0.3 1 111 11 11 GLN CA C 58.667 0.3 1 112 11 11 GLN CB C 28.142 0.3 1 113 11 11 GLN CG C 33.956 0.3 1 114 11 11 GLN N N 122.311 0.3 1 115 12 12 LEU H H 7.998 0.02 1 116 12 12 LEU HA H 3.847 0.02 1 117 12 12 LEU HB2 H 1.267 0.02 2 118 12 12 LEU HB3 H 0.919 0.02 2 119 12 12 LEU HG H 1.009 0.02 1 120 12 12 LEU HD1 H 0.574 0.02 1 121 12 12 LEU HD2 H 0.405 0.02 1 122 12 12 LEU C C 179.597 0.3 1 123 12 12 LEU CA C 57.859 0.3 1 124 12 12 LEU CB C 41.804 0.3 1 125 12 12 LEU CG C 26.847 0.3 1 126 12 12 LEU CD1 C 24.555 0.3 1 127 12 12 LEU CD2 C 26.252 0.3 1 128 12 12 LEU N N 122.368 0.3 1 129 13 13 GLN H H 8.003 0.02 1 130 13 13 GLN HA H 3.688 0.02 1 131 13 13 GLN HB2 H 2.050 0.02 2 132 13 13 GLN HB3 H 2.040 0.02 2 133 13 13 GLN HG2 H 2.324 0.02 2 134 13 13 GLN HG3 H 2.326 0.02 2 135 13 13 GLN HE21 H 7.697 0.02 2 136 13 13 GLN HE22 H 6.889 0.02 2 137 13 13 GLN C C 178.388 0.3 1 138 13 13 GLN CA C 58.278 0.3 1 139 13 13 GLN CB C 28.017 0.3 1 140 13 13 GLN CG C 33.040 0.3 1 141 13 13 GLN N N 117.779 0.3 1 142 13 13 GLN NE2 N 115.154 0.3 1 143 14 14 ALA H H 8.017 0.02 1 144 14 14 ALA HA H 4.206 0.02 1 145 14 14 ALA HB H 1.485 0.02 1 146 14 14 ALA C C 181.251 0.3 1 147 14 14 ALA CA C 55.298 0.3 1 148 14 14 ALA CB C 17.516 0.3 1 149 14 14 ALA N N 121.826 0.3 1 150 15 15 ASN H H 8.180 0.02 1 151 15 15 ASN HA H 4.418 0.02 1 152 15 15 ASN HB2 H 2.935 0.02 2 153 15 15 ASN HB3 H 2.823 0.02 2 154 15 15 ASN HD21 H 7.468 0.02 2 155 15 15 ASN HD22 H 6.956 0.02 2 156 15 15 ASN C C 179.281 0.3 1 157 15 15 ASN CA C 56.109 0.3 1 158 15 15 ASN CB C 38.135 0.3 1 159 15 15 ASN N N 118.570 0.3 1 160 15 15 ASN ND2 N 111.837 0.3 1 161 16 16 ARG H H 8.146 0.02 1 162 16 16 ARG HA H 3.822 0.02 1 163 16 16 ARG HB2 H 1.771 0.02 2 164 16 16 ARG HB3 H 2.085 0.02 2 165 16 16 ARG HG2 H 1.580 0.02 2 166 16 16 ARG HG3 H 1.729 0.02 2 167 16 16 ARG HD2 H 3.047 0.02 2 168 16 16 ARG HD3 H 3.038 0.02 2 169 16 16 ARG HE H 7.557 0.02 1 170 16 16 ARG C C 180.026 0.3 1 171 16 16 ARG CA C 60.442 0.3 1 172 16 16 ARG CB C 28.183 0.3 1 173 16 16 ARG CG C 28.263 0.3 1 174 16 16 ARG CD C 43.100 0.3 1 175 16 16 ARG N N 122.597 0.3 1 176 16 16 ARG NE N 89.243 0.3 1 177 17 17 ASP H H 8.805 0.02 1 178 17 17 ASP HA H 4.414 0.02 1 179 17 17 ASP HB2 H 2.887 0.02 2 180 17 17 ASP HB3 H 2.724 0.02 2 181 17 17 ASP C C 179.679 0.3 1 182 17 17 ASP CA C 57.997 0.3 1 183 17 17 ASP CB C 39.828 0.3 1 184 17 17 ASP N N 122.910 0.3 1 185 18 18 GLU H H 8.374 0.02 1 186 18 18 GLU HA H 4.134 0.02 1 187 18 18 GLU HB2 H 2.112 0.02 2 188 18 18 GLU HB3 H 2.193 0.02 2 189 18 18 GLU HG2 H 2.366 0.02 2 190 18 18 GLU HG3 H 2.374 0.02 2 191 18 18 GLU C C 179.272 0.3 1 192 18 18 GLU CA C 59.272 0.3 1 193 18 18 GLU CB C 29.332 0.3 1 194 18 18 GLU CG C 36.101 0.3 1 195 18 18 GLU N N 121.910 0.3 1 196 19 19 LYS H H 7.979 0.02 1 197 19 19 LYS HA H 4.287 0.02 1 198 19 19 LYS HB2 H 1.714 0.02 2 199 19 19 LYS HB3 H 2.042 0.02 2 200 19 19 LYS HG2 H 1.278 0.02 2 201 19 19 LYS HG3 H 1.494 0.02 2 202 19 19 LYS HD2 H 1.632 0.02 2 203 19 19 LYS HD3 H 1.610 0.02 2 204 19 19 LYS HE2 H 2.926 0.02 2 205 19 19 LYS HE3 H 2.930 0.02 2 206 19 19 LYS C C 178.483 0.3 1 207 19 19 LYS CA C 59.910 0.3 1 208 19 19 LYS CB C 32.078 0.3 1 209 19 19 LYS CG C 25.901 0.3 1 210 19 19 LYS CD C 28.841 0.3 1 211 19 19 LYS CE C 41.800 0.3 1 212 19 19 LYS N N 122.874 0.3 1 213 20 20 ASP H H 7.805 0.02 1 214 20 20 ASP HA H 4.623 0.02 1 215 20 20 ASP HB2 H 2.812 0.02 2 216 20 20 ASP HB3 H 3.031 0.02 2 217 20 20 ASP C C 179.899 0.3 1 218 20 20 ASP CA C 58.061 0.3 1 219 20 20 ASP CB C 40.326 0.3 1 220 20 20 ASP N N 119.914 0.3 1 221 21 21 ARG H H 7.907 0.02 1 222 21 21 ARG HA H 4.158 0.02 1 223 21 21 ARG HB2 H 2.032 0.02 2 224 21 21 ARG HB3 H 2.032 0.02 2 225 21 21 ARG HG2 H 1.820 0.02 2 226 21 21 ARG HG3 H 1.634 0.02 2 227 21 21 ARG HD2 H 3.282 0.02 2 228 21 21 ARG HD3 H 3.282 0.02 2 229 21 21 ARG HE H 7.627 0.02 1 230 21 21 ARG C C 179.166 0.3 1 231 21 21 ARG CA C 59.983 0.3 1 232 21 21 ARG CB C 29.898 0.3 1 233 21 21 ARG CG C 27.627 0.3 1 234 21 21 ARG CD C 43.502 0.3 1 235 21 21 ARG N N 121.156 0.3 1 236 21 21 ARG NE N 84.509 0.3 1 237 22 22 PHE H H 8.483 0.02 1 238 22 22 PHE HA H 4.413 0.02 1 239 22 22 PHE HB2 H 3.372 0.02 2 240 22 22 PHE HB3 H 3.572 0.02 2 241 22 22 PHE HD1 H 7.184 0.02 3 242 22 22 PHE HD2 H 7.183 0.02 3 243 22 22 PHE HE1 H 6.650 0.02 3 244 22 22 PHE HE2 H 6.650 0.02 3 245 22 22 PHE HZ H 6.838 0.02 1 246 22 22 PHE C C 178.109 0.3 1 247 22 22 PHE CA C 60.989 0.3 1 248 22 22 PHE CB C 39.118 0.3 1 249 22 22 PHE CD1 C 132.038 0.3 3 250 22 22 PHE CD2 C 132.047 0.3 3 251 22 22 PHE CE1 C 130.572 0.3 3 252 22 22 PHE CE2 C 130.572 0.3 3 253 22 22 PHE CZ C 129.423 0.3 1 254 22 22 PHE N N 122.505 0.3 1 255 23 23 PHE H H 9.154 0.02 1 256 23 23 PHE HA H 3.910 0.02 1 257 23 23 PHE HB2 H 3.387 0.02 2 258 23 23 PHE HB3 H 1.948 0.02 2 259 23 23 PHE HD1 H 6.888 0.02 3 260 23 23 PHE HD2 H 6.886 0.02 3 261 23 23 PHE HE1 H 6.470 0.02 3 262 23 23 PHE HE2 H 6.470 0.02 3 263 23 23 PHE HZ H 6.784 0.02 1 264 23 23 PHE C C 179.120 0.3 1 265 23 23 PHE CA C 59.188 0.3 1 266 23 23 PHE CB C 38.966 0.3 1 267 23 23 PHE CD1 C 129.713 0.3 3 268 23 23 PHE CD2 C 129.724 0.3 3 269 23 23 PHE CE1 C 130.864 0.3 3 270 23 23 PHE CE2 C 130.864 0.3 3 271 23 23 PHE CZ C 129.848 0.3 1 272 23 23 PHE N N 118.599 0.3 1 273 24 24 SER H H 8.140 0.02 1 274 24 24 SER HA H 4.230 0.02 1 275 24 24 SER HB2 H 4.263 0.02 2 276 24 24 SER HB3 H 4.134 0.02 2 277 24 24 SER C C 176.234 0.3 1 278 24 24 SER CA C 61.261 0.3 1 279 24 24 SER CB C 64.416 0.3 1 280 24 24 SER N N 111.357 0.3 1 281 25 25 GLU H H 8.037 0.02 1 282 25 25 GLU HA H 4.502 0.02 1 283 25 25 GLU HB2 H 2.016 0.02 2 284 25 25 GLU HB3 H 2.016 0.02 2 285 25 25 GLU HG2 H 2.374 0.02 2 286 25 25 GLU HG3 H 2.301 0.02 2 287 25 25 GLU C C 177.178 0.3 1 288 25 25 GLU CA C 57.048 0.3 1 289 25 25 GLU CB C 33.030 0.3 1 290 25 25 GLU CG C 36.010 0.3 1 291 25 25 GLU N N 115.765 0.3 1 292 26 26 HIS H H 8.460 0.02 1 293 26 26 HIS HA H 4.209 0.02 1 294 26 26 HIS HB2 H 2.705 0.02 2 295 26 26 HIS HB3 H 2.025 0.02 2 296 26 26 HIS HD2 H 7.085 0.02 1 297 26 26 HIS HE1 H 7.741 0.02 1 298 26 26 HIS C C 177.274 0.3 1 299 26 26 HIS CA C 58.822 0.3 1 300 26 26 HIS CB C 32.841 0.3 1 301 26 26 HIS CD2 C 118.376 0.3 1 302 26 26 HIS CE1 C 137.068 0.3 1 303 26 26 HIS N N 123.319 0.3 1 304 26 26 HIS ND1 N 250.728 0.3 1 305 26 26 HIS NE2 N 165.385 0.3 1 306 27 27 ARG H H 8.201 0.02 1 307 27 27 ARG HA H 4.042 0.02 1 308 27 27 ARG HB2 H 1.808 0.02 2 309 27 27 ARG HB3 H 1.702 0.02 2 310 27 27 ARG HG2 H 1.589 0.02 2 311 27 27 ARG HG3 H 1.588 0.02 2 312 27 27 ARG HD2 H 3.170 0.02 2 313 27 27 ARG HD3 H 3.170 0.02 2 314 27 27 ARG C C 174.329 0.3 1 315 27 27 ARG CA C 58.800 0.3 1 316 27 27 ARG CB C 29.843 0.3 1 317 27 27 ARG CG C 27.223 0.3 1 318 27 27 ARG CD C 43.072 0.3 1 319 27 27 ARG N N 126.629 0.3 1 320 28 28 GLN H H 8.280 0.02 1 321 28 28 GLN HA H 4.412 0.02 1 322 28 28 GLN HB2 H 2.558 0.02 2 323 28 28 GLN HB3 H 2.235 0.02 2 324 28 28 GLN HG2 H 2.508 0.02 2 325 28 28 GLN HG3 H 2.508 0.02 2 326 28 28 GLN HE21 H 7.645 0.02 2 327 28 28 GLN HE22 H 6.967 0.02 2 328 28 28 GLN C C 175.622 0.3 1 329 28 28 GLN CA C 55.620 0.3 1 330 28 28 GLN CB C 27.919 0.3 1 331 28 28 GLN CG C 35.202 0.3 1 332 28 28 GLN N N 125.412 0.3 1 333 28 28 GLN NE2 N 111.856 0.3 1 334 29 29 SER H H 7.273 0.02 1 335 29 29 SER HA H 3.623 0.02 1 336 29 29 SER HB2 H 3.391 0.02 2 337 29 29 SER HB3 H 4.101 0.02 2 338 29 29 SER C C 174.279 0.3 1 339 29 29 SER CA C 54.704 0.3 1 340 29 29 SER CB C 63.161 0.3 1 341 29 29 SER N N 115.250 0.3 1 342 30 30 PRO HA H 4.362 0.02 1 343 30 30 PRO HB2 H 1.368 0.02 2 344 30 30 PRO HB3 H 1.242 0.02 2 345 30 30 PRO HG2 H 0.103 0.02 2 346 30 30 PRO HG3 H -0.055 0.02 2 347 30 30 PRO HD2 H 2.568 0.02 2 348 30 30 PRO HD3 H 1.917 0.02 2 349 30 30 PRO C C 176.613 0.3 1 350 30 30 PRO CA C 63.093 0.3 1 351 30 30 PRO CB C 32.615 0.3 1 352 30 30 PRO CG C 27.101 0.3 1 353 30 30 PRO CD C 49.400 0.3 1 354 31 31 ILE H H 7.410 0.02 1 355 31 31 ILE HA H 3.900 0.02 1 356 31 31 ILE HB H 1.481 0.02 1 357 31 31 ILE HG12 H 0.620 0.02 2 358 31 31 ILE HG13 H 0.108 0.02 2 359 31 31 ILE HG2 H 0.716 0.02 1 360 31 31 ILE HD1 H 0.240 0.02 1 361 31 31 ILE C C 174.507 0.3 1 362 31 31 ILE CA C 56.142 0.3 1 363 31 31 ILE CB C 35.539 0.3 1 364 31 31 ILE CG1 C 26.191 0.3 1 365 31 31 ILE CG2 C 16.513 0.3 1 366 31 31 ILE CD1 C 8.935 0.3 1 367 31 31 ILE N N 121.538 0.3 1 368 32 32 PRO HG2 H 1.930 0.02 2 369 32 32 PRO HG3 H 1.920 0.02 2 370 32 32 PRO HD2 H 4.159 0.02 2 371 32 32 PRO HD3 H 3.261 0.02 2 372 32 32 PRO CG C 27.140 0.3 1 373 32 32 PRO CD C 51.130 0.3 1 374 33 33 PRO HA H 3.833 0.02 1 375 33 33 PRO HB2 H 2.319 0.02 2 376 33 33 PRO HB3 H 1.990 0.02 2 377 33 33 PRO HG2 H 2.203 0.02 2 378 33 33 PRO HG3 H 1.988 0.02 2 379 33 33 PRO HD2 H 3.790 0.02 2 380 33 33 PRO HD3 H 3.851 0.02 2 381 33 33 PRO C C 179.601 0.3 1 382 33 33 PRO CA C 66.234 0.3 1 383 33 33 PRO CB C 32.128 0.3 1 384 33 33 PRO CG C 27.578 0.3 1 385 33 33 PRO CD C 50.505 0.3 1 386 34 34 GLU H H 9.726 0.02 1 387 34 34 GLU HA H 4.249 0.02 1 388 34 34 GLU HB2 H 2.148 0.02 2 389 34 34 GLU HB3 H 2.079 0.02 2 390 34 34 GLU HG2 H 2.405 0.02 2 391 34 34 GLU HG3 H 2.323 0.02 2 392 34 34 GLU C C 177.180 0.3 1 393 34 34 GLU CA C 58.762 0.3 1 394 34 34 GLU CB C 28.375 0.3 1 395 34 34 GLU CG C 36.492 0.3 1 396 34 34 GLU N N 116.281 0.3 1 397 35 35 GLU H H 8.203 0.02 1 398 35 35 GLU HA H 4.713 0.02 1 399 35 35 GLU HB2 H 2.345 0.02 2 400 35 35 GLU HB3 H 1.826 0.02 2 401 35 35 GLU HG2 H 2.290 0.02 2 402 35 35 GLU HG3 H 2.206 0.02 2 403 35 35 GLU C C 178.216 0.3 1 404 35 35 GLU CA C 55.748 0.3 1 405 35 35 GLU CB C 31.064 0.3 1 406 35 35 GLU CG C 36.393 0.3 1 407 35 35 GLU N N 118.029 0.3 1 408 36 36 ARG H H 7.370 0.02 1 409 36 36 ARG HA H 3.816 0.02 1 410 36 36 ARG HB2 H 2.108 0.02 2 411 36 36 ARG HB3 H 1.796 0.02 2 412 36 36 ARG HG2 H 1.756 0.02 2 413 36 36 ARG HG3 H 1.578 0.02 2 414 36 36 ARG HD2 H 3.035 0.02 2 415 36 36 ARG HD3 H 3.036 0.02 2 416 36 36 ARG HE H 6.710 0.02 1 417 36 36 ARG C C 178.443 0.3 1 418 36 36 ARG CA C 60.333 0.3 1 419 36 36 ARG CB C 30.257 0.3 1 420 36 36 ARG CG C 28.032 0.3 1 421 36 36 ARG CD C 43.393 0.3 1 422 36 36 ARG N N 120.871 0.3 1 423 36 36 ARG NE N 84.403 0.3 1 424 37 37 ASP H H 8.645 0.02 1 425 37 37 ASP HA H 4.474 0.02 1 426 37 37 ASP HB2 H 2.667 0.02 2 427 37 37 ASP HB3 H 2.667 0.02 2 428 37 37 ASP C C 177.491 0.3 1 429 37 37 ASP CA C 56.960 0.3 1 430 37 37 ASP CB C 39.717 0.3 1 431 37 37 ASP N N 118.227 0.3 1 432 38 38 ASP H H 7.600 0.02 1 433 38 38 ASP HA H 4.762 0.02 1 434 38 38 ASP HB2 H 2.778 0.02 2 435 38 38 ASP HB3 H 2.528 0.02 2 436 38 38 ASP C C 175.875 0.3 1 437 38 38 ASP CA C 53.943 0.3 1 438 38 38 ASP CB C 41.725 0.3 1 439 38 38 ASP N N 117.045 0.3 1 440 39 39 PHE H H 7.478 0.02 1 441 39 39 PHE HA H 4.388 0.02 1 442 39 39 PHE HB2 H 3.188 0.02 2 443 39 39 PHE HB3 H 3.215 0.02 2 444 39 39 PHE HD1 H 7.350 0.02 3 445 39 39 PHE HD2 H 7.350 0.02 3 446 39 39 PHE HE1 H 7.254 0.02 3 447 39 39 PHE HE2 H 7.254 0.02 3 448 39 39 PHE HZ H 7.254 0.02 1 449 39 39 PHE C C 175.631 0.3 1 450 39 39 PHE CA C 59.493 0.3 1 451 39 39 PHE CB C 39.687 0.3 1 452 39 39 PHE CD1 C 132.449 0.3 3 453 39 39 PHE CD2 C 132.449 0.3 3 454 39 39 PHE CE1 C 131.327 0.3 3 455 39 39 PHE CE2 C 131.327 0.3 3 456 39 39 PHE CZ C 129.877 0.3 1 457 39 39 PHE N N 121.839 0.3 1 458 40 40 ASP H H 8.396 0.02 1 459 40 40 ASP HA H 4.686 0.02 1 460 40 40 ASP HB2 H 2.471 0.02 2 461 40 40 ASP HB3 H 2.471 0.02 2 462 40 40 ASP C C 175.673 0.3 1 463 40 40 ASP CA C 52.999 0.3 1 464 40 40 ASP CB C 41.810 0.3 1 465 40 40 ASP N N 128.333 0.3 1 466 41 41 GLY H H 4.590 0.02 1 467 41 41 GLY HA2 H 4.252 0.02 2 468 41 41 GLY HA3 H 3.102 0.02 2 469 41 41 GLY C C 173.965 0.3 1 470 41 41 GLY CA C 43.782 0.3 1 471 41 41 GLY N N 104.299 0.3 1 472 42 42 LEU H H 9.221 0.02 1 473 42 42 LEU HA H 4.376 0.02 1 474 42 42 LEU HB2 H 1.687 0.02 2 475 42 42 LEU HB3 H 1.009 0.02 2 476 42 42 LEU HG H 1.651 0.02 1 477 42 42 LEU HD1 H 0.446 0.02 1 478 42 42 LEU HD2 H 0.963 0.02 1 479 42 42 LEU C C 176.643 0.3 1 480 42 42 LEU CA C 54.390 0.3 1 481 42 42 LEU CB C 41.720 0.3 1 482 42 42 LEU CG C 27.304 0.3 1 483 42 42 LEU CD1 C 23.966 0.3 1 484 42 42 LEU CD2 C 22.146 0.3 1 485 42 42 LEU N N 122.302 0.3 1 486 43 43 SER H H 8.422 0.02 1 487 43 43 SER HA H 4.732 0.02 1 488 43 43 SER HB2 H 3.479 0.02 2 489 43 43 SER HB3 H 3.391 0.02 2 490 43 43 SER C C 173.301 0.3 1 491 43 43 SER CA C 57.684 0.3 1 492 43 43 SER CB C 64.920 0.3 1 493 43 43 SER N N 115.518 0.3 1 494 44 44 TYR H H 8.730 0.02 1 495 44 44 TYR HA H 4.915 0.02 1 496 44 44 TYR HB2 H 2.377 0.02 2 497 44 44 TYR HB3 H 3.241 0.02 2 498 44 44 TYR HD1 H 6.909 0.02 3 499 44 44 TYR HD2 H 6.909 0.02 3 500 44 44 TYR C C 178.880 0.3 1 501 44 44 TYR CA C 58.060 0.3 1 502 44 44 TYR CB C 43.889 0.3 1 503 44 44 TYR N N 119.669 0.3 1 504 45 45 PHE H H 8.779 0.02 1 505 45 45 PHE HA H 4.643 0.02 1 506 45 45 PHE HB2 H 2.788 0.02 2 507 45 45 PHE HB3 H 3.315 0.02 2 508 45 45 PHE HD1 H 7.201 0.02 3 509 45 45 PHE HD2 H 7.201 0.02 3 510 45 45 PHE HE1 H 7.333 0.02 3 511 45 45 PHE HE2 H 7.332 0.02 3 512 45 45 PHE HZ H 7.155 0.02 1 513 45 45 PHE C C 177.098 0.3 1 514 45 45 PHE CA C 59.320 0.3 1 515 45 45 PHE CB C 39.925 0.3 1 516 45 45 PHE CD1 C 131.990 0.3 3 517 45 45 PHE CD2 C 131.990 0.3 3 518 45 45 PHE CE1 C 131.432 0.3 3 519 45 45 PHE CE2 C 131.423 0.3 3 520 45 45 PHE CZ C 129.638 0.3 1 521 45 45 PHE N N 120.180 0.3 1 522 46 46 ASP H H 9.226 0.02 1 523 46 46 ASP HA H 4.757 0.02 1 524 46 46 ASP HB2 H 2.797 0.02 2 525 46 46 ASP HB3 H 2.570 0.02 2 526 46 46 ASP C C 175.738 0.3 1 527 46 46 ASP CA C 53.881 0.3 1 528 46 46 ASP CB C 38.700 0.3 1 529 46 46 ASP N N 124.974 0.3 1 530 47 47 PRO HA H 4.705 0.02 1 531 47 47 PRO HB2 H 2.047 0.02 2 532 47 47 PRO HB3 H 1.760 0.02 2 533 47 47 PRO HG2 H 1.991 0.02 2 534 47 47 PRO HG3 H 1.980 0.02 2 535 47 47 PRO HD2 H 3.679 0.02 2 536 47 47 PRO HD3 H 3.882 0.02 2 537 47 47 PRO C C 176.500 0.3 1 538 47 47 PRO CA C 62.418 0.3 1 539 47 47 PRO CB C 33.078 0.3 1 540 47 47 PRO CG C 27.432 0.3 1 541 47 47 PRO CD C 50.523 0.3 1 542 48 48 ASP H H 9.361 0.02 1 543 48 48 ASP HA H 5.011 0.02 1 544 48 48 ASP HB2 H 1.643 0.02 2 545 48 48 ASP HB3 H 1.569 0.02 2 546 48 48 ASP C C 175.515 0.3 1 547 48 48 ASP CA C 51.994 0.3 1 548 48 48 ASP CB C 40.978 0.3 1 549 48 48 ASP N N 124.882 0.3 1 550 49 49 PRO HA H 3.667 0.02 1 551 49 49 PRO HB2 H 1.929 0.02 2 552 49 49 PRO HB3 H 1.934 0.02 2 553 49 49 PRO HG2 H 2.127 0.02 2 554 49 49 PRO HG3 H 1.997 0.02 2 555 49 49 PRO HD2 H 3.905 0.02 2 556 49 49 PRO HD3 H 3.910 0.02 2 557 49 49 PRO C C 177.938 0.3 1 558 49 49 PRO CA C 64.420 0.3 1 559 49 49 PRO CB C 31.742 0.3 1 560 49 49 PRO CG C 27.258 0.3 1 561 49 49 PRO CD C 50.532 0.3 1 562 50 50 ASP H H 8.633 0.02 1 563 50 50 ASP HA H 4.378 0.02 1 564 50 50 ASP HB2 H 2.510 0.02 2 565 50 50 ASP HB3 H 2.358 0.02 2 566 50 50 ASP C C 177.023 0.3 1 567 50 50 ASP CA C 56.152 0.3 1 568 50 50 ASP CB C 39.530 0.3 1 569 50 50 ASP N N 119.927 0.3 1 570 51 51 TYR H H 7.513 0.02 1 571 51 51 TYR HA H 4.298 0.02 1 572 51 51 TYR HB2 H 3.482 0.02 2 573 51 51 TYR HB3 H 2.482 0.02 2 574 51 51 TYR HD1 H 6.745 0.02 3 575 51 51 TYR HD2 H 6.744 0.02 3 576 51 51 TYR HE1 H 6.702 0.02 3 577 51 51 TYR HE2 H 6.702 0.02 3 578 51 51 TYR C C 173.069 0.3 1 579 51 51 TYR CA C 59.446 0.3 1 580 51 51 TYR CB C 38.686 0.3 1 581 51 51 TYR CD1 C 132.313 0.3 3 582 51 51 TYR CD2 C 132.315 0.3 3 583 51 51 TYR CE1 C 118.823 0.3 3 584 51 51 TYR CE2 C 118.823 0.3 3 585 51 51 TYR N N 114.303 0.3 1 586 52 52 ARG H H 7.197 0.02 1 587 52 52 ARG HA H 4.867 0.02 1 588 52 52 ARG HB2 H 1.692 0.02 2 589 52 52 ARG HB3 H 1.323 0.02 2 590 52 52 ARG HG2 H 1.153 0.02 2 591 52 52 ARG HG3 H 1.066 0.02 2 592 52 52 ARG HD2 H 2.335 0.02 2 593 52 52 ARG HD3 H 2.197 0.02 2 594 52 52 ARG HE H 6.872 0.02 1 595 52 52 ARG C C 175.113 0.3 1 596 52 52 ARG CA C 55.639 0.3 1 597 52 52 ARG CB C 29.868 0.3 1 598 52 52 ARG CG C 27.222 0.3 1 599 52 52 ARG CD C 42.764 0.3 1 600 52 52 ARG N N 122.489 0.3 1 601 52 52 ARG NE N 84.212 0.3 1 602 53 53 VAL H H 8.465 0.02 1 603 53 53 VAL HA H 4.718 0.02 1 604 53 53 VAL HB H 2.364 0.02 1 605 53 53 VAL HG1 H 0.992 0.02 1 606 53 53 VAL HG2 H 0.838 0.02 1 607 53 53 VAL C C 174.428 0.3 1 608 53 53 VAL CA C 59.062 0.3 1 609 53 53 VAL CB C 35.154 0.3 1 610 53 53 VAL CG1 C 22.018 0.3 1 611 53 53 VAL CG2 C 19.413 0.3 1 612 53 53 VAL N N 119.687 0.3 1 613 54 54 GLU H H 8.517 0.02 1 614 54 54 GLU HA H 4.622 0.02 1 615 54 54 GLU HB2 H 1.907 0.02 2 616 54 54 GLU HB3 H 1.859 0.02 2 617 54 54 GLU HG2 H 2.170 0.02 2 618 54 54 GLU HG3 H 2.144 0.02 2 619 54 54 GLU C C 175.984 0.3 1 620 54 54 GLU CA C 55.388 0.3 1 621 54 54 GLU CB C 29.950 0.3 1 622 54 54 GLU CG C 36.010 0.3 1 623 54 54 GLU N N 121.351 0.3 1 624 55 55 ALA H H 9.305 0.02 1 625 55 55 ALA HA H 5.366 0.02 1 626 55 55 ALA HB H 1.202 0.02 1 627 55 55 ALA C C 176.686 0.3 1 628 55 55 ALA CA C 49.689 0.3 1 629 55 55 ALA CB C 22.191 0.3 1 630 55 55 ALA N N 128.329 0.3 1 631 56 56 THR H H 9.460 0.02 1 632 56 56 THR HA H 4.898 0.02 1 633 56 56 THR HB H 3.948 0.02 1 634 56 56 THR HG2 H 1.175 0.02 1 635 56 56 THR C C 175.842 0.3 1 636 56 56 THR CA C 62.379 0.3 1 637 56 56 THR CB C 70.175 0.3 1 638 56 56 THR CG2 C 21.644 0.3 1 639 56 56 THR N N 116.876 0.3 1 640 57 57 VAL H H 9.275 0.02 1 641 57 57 VAL HA H 4.380 0.02 1 642 57 57 VAL HB H 1.989 0.02 1 643 57 57 VAL HG1 H 0.680 0.02 1 644 57 57 VAL HG2 H 0.758 0.02 1 645 57 57 VAL C C 175.698 0.3 1 646 57 57 VAL CA C 62.457 0.3 1 647 57 57 VAL CB C 33.743 0.3 1 648 57 57 VAL CG1 C 22.260 0.3 1 649 57 57 VAL CG2 C 22.072 0.3 1 650 57 57 VAL N N 128.202 0.3 1 651 58 58 THR H H 8.901 0.02 1 652 58 58 THR HA H 4.370 0.02 1 653 58 58 THR HB H 3.761 0.02 1 654 58 58 THR HG2 H 0.956 0.02 1 655 58 58 THR C C 173.897 0.3 1 656 58 58 THR CA C 62.643 0.3 1 657 58 58 THR CB C 70.128 0.3 1 658 58 58 THR CG2 C 20.960 0.3 1 659 58 58 THR N N 124.644 0.3 1 660 59 59 VAL H H 9.305 0.02 1 661 59 59 VAL HA H 3.675 0.02 1 662 59 59 VAL HB H 1.933 0.02 1 663 59 59 VAL HG1 H 0.757 0.02 1 664 59 59 VAL HG2 H 0.598 0.02 1 665 59 59 VAL C C 175.162 0.3 1 666 59 59 VAL CA C 62.318 0.3 1 667 59 59 VAL CB C 32.462 0.3 1 668 59 59 VAL CG1 C 21.346 0.3 1 669 59 59 VAL CG2 C 21.852 0.3 1 670 59 59 VAL N N 127.620 0.3 1 671 60 60 HIS H H 7.691 0.02 1 672 60 60 HIS HA H 4.751 0.02 1 673 60 60 HIS HB2 H 2.889 0.02 2 674 60 60 HIS HB3 H 2.724 0.02 2 675 60 60 HIS HD2 H 7.080 0.02 1 676 60 60 HIS HE1 H 7.520 0.02 1 677 60 60 HIS C C 174.598 0.3 1 678 60 60 HIS CA C 54.194 0.3 1 679 60 60 HIS CB C 27.712 0.3 1 680 60 60 HIS CD2 C 119.840 0.3 1 681 60 60 HIS CE1 C 138.622 0.3 1 682 60 60 HIS N N 129.139 0.3 1 683 61 61 GLU H H 9.111 0.02 1 684 61 61 GLU HA H 3.951 0.02 1 685 61 61 GLU HB2 H 2.057 0.02 2 686 61 61 GLU HB3 H 2.114 0.02 2 687 61 61 GLU HG2 H 2.514 0.02 2 688 61 61 GLU HG3 H 2.309 0.02 2 689 61 61 GLU C C 177.857 0.3 1 690 61 61 GLU CA C 60.093 0.3 1 691 61 61 GLU CB C 28.201 0.3 1 692 61 61 GLU CG C 36.433 0.3 1 693 61 61 GLU N N 125.471 0.3 1 694 62 62 THR H H 8.340 0.02 1 695 62 62 THR HA H 4.645 0.02 1 696 62 62 THR HB H 4.138 0.02 1 697 62 62 THR HG2 H 1.170 0.02 1 698 62 62 THR C C 173.185 0.3 1 699 62 62 THR CA C 58.356 0.3 1 700 62 62 THR CB C 68.981 0.3 1 701 62 62 THR CG2 C 21.641 0.3 1 702 62 62 THR N N 114.108 0.3 1 703 63 63 PRO HA H 4.241 0.02 1 704 63 63 PRO HB2 H 2.233 0.02 2 705 63 63 PRO HB3 H 1.742 0.02 2 706 63 63 PRO HG2 H 2.109 0.02 2 707 63 63 PRO HG3 H 2.069 0.02 2 708 63 63 PRO HD2 H 3.684 0.02 2 709 63 63 PRO HD3 H 3.636 0.02 2 710 63 63 PRO C C 177.477 0.3 1 711 63 63 PRO CA C 63.066 0.3 1 712 63 63 PRO CB C 33.597 0.3 1 713 63 63 PRO CG C 27.216 0.3 1 714 63 63 PRO CD C 51.015 0.3 1 715 64 64 GLU H H 9.115 0.02 1 716 64 64 GLU HA H 4.401 0.02 1 717 64 64 GLU HB2 H 2.148 0.02 2 718 64 64 GLU HB3 H 2.062 0.02 2 719 64 64 GLU HG2 H 2.393 0.02 2 720 64 64 GLU HG3 H 2.391 0.02 2 721 64 64 GLU C C 176.701 0.3 1 722 64 64 GLU CA C 55.657 0.3 1 723 64 64 GLU CB C 31.202 0.3 1 724 64 64 GLU CG C 36.010 0.3 1 725 64 64 GLU N N 122.755 0.3 1 726 65 65 SER H H 8.711 0.02 1 727 65 65 SER HA H 5.194 0.02 1 728 65 65 SER HB2 H 3.799 0.02 2 729 65 65 SER HB3 H 3.671 0.02 2 730 65 65 SER C C 174.522 0.3 1 731 65 65 SER CA C 58.569 0.3 1 732 65 65 SER CB C 64.403 0.3 1 733 65 65 SER N N 118.251 0.3 1 734 66 66 VAL H H 9.577 0.02 1 735 66 66 VAL HA H 4.419 0.02 1 736 66 66 VAL HB H 1.997 0.02 1 737 66 66 VAL HG1 H 0.927 0.02 1 738 66 66 VAL HG2 H 1.012 0.02 1 739 66 66 VAL C C 174.076 0.3 1 740 66 66 VAL CA C 60.798 0.3 1 741 66 66 VAL CB C 35.603 0.3 1 742 66 66 VAL CG1 C 21.095 0.3 1 743 66 66 VAL CG2 C 21.130 0.3 1 744 66 66 VAL N N 124.266 0.3 1 745 67 67 ASP H H 8.615 0.02 1 746 67 67 ASP HA H 5.281 0.02 1 747 67 67 ASP HB2 H 2.224 0.02 2 748 67 67 ASP HB3 H 2.586 0.02 2 749 67 67 ASP C C 176.235 0.3 1 750 67 67 ASP CA C 53.529 0.3 1 751 67 67 ASP CB C 41.354 0.3 1 752 67 67 ASP N N 125.748 0.3 1 753 68 68 LEU H H 9.126 0.02 1 754 68 68 LEU HA H 4.579 0.02 1 755 68 68 LEU HB2 H 1.663 0.02 2 756 68 68 LEU HB3 H 1.559 0.02 2 757 68 68 LEU HG H 1.420 0.02 1 758 68 68 LEU HD1 H 0.019 0.02 1 759 68 68 LEU HD2 H 0.396 0.02 1 760 68 68 LEU C C 177.184 0.3 1 761 68 68 LEU CA C 53.953 0.3 1 762 68 68 LEU CB C 41.696 0.3 1 763 68 68 LEU CG C 27.377 0.3 1 764 68 68 LEU CD1 C 24.750 0.3 1 765 68 68 LEU CD2 C 23.005 0.3 1 766 68 68 LEU N N 125.661 0.3 1 767 69 69 GLU H H 8.802 0.02 1 768 69 69 GLU HA H 4.821 0.02 1 769 69 69 GLU HB2 H 2.191 0.02 2 770 69 69 GLU HB3 H 2.010 0.02 2 771 69 69 GLU HG2 H 2.417 0.02 2 772 69 69 GLU HG3 H 2.417 0.02 2 773 69 69 GLU C C 177.127 0.3 1 774 69 69 GLU CA C 55.899 0.3 1 775 69 69 GLU CB C 31.371 0.3 1 776 69 69 GLU CG C 36.664 0.3 1 777 69 69 GLU N N 122.281 0.3 1 778 70 70 THR H H 8.174 0.02 1 779 70 70 THR HA H 5.455 0.02 1 780 70 70 THR HB H 4.216 0.02 1 781 70 70 THR HG2 H 0.865 0.02 1 782 70 70 THR C C 178.184 0.3 1 783 70 70 THR CA C 59.773 0.3 1 784 70 70 THR CB C 72.806 0.3 1 785 70 70 THR CG2 C 22.469 0.3 1 786 70 70 THR N N 108.761 0.3 1 787 71 71 SER H H 9.141 0.02 1 788 71 71 SER HA H 4.175 0.02 1 789 71 71 SER HB2 H 4.154 0.02 2 790 71 71 SER HB3 H 4.309 0.02 2 791 71 71 SER C C 174.568 0.3 1 792 71 71 SER CA C 60.912 0.3 1 793 71 71 SER CB C 63.835 0.3 1 794 71 71 SER N N 117.430 0.3 1 795 72 72 ASP H H 8.532 0.02 1 796 72 72 ASP HA H 4.860 0.02 1 797 72 72 ASP HB2 H 3.014 0.02 2 798 72 72 ASP HB3 H 2.703 0.02 2 799 72 72 ASP C C 174.826 0.3 1 800 72 72 ASP CA C 52.525 0.3 1 801 72 72 ASP CB C 38.542 0.3 1 802 72 72 ASP N N 119.051 0.3 1 803 73 73 ASP H H 7.922 0.02 1 804 73 73 ASP HA H 4.465 0.02 1 805 73 73 ASP HB2 H 3.040 0.02 2 806 73 73 ASP HB3 H 2.720 0.02 2 807 73 73 ASP C C 175.440 0.3 1 808 73 73 ASP CA C 55.797 0.3 1 809 73 73 ASP CB C 38.474 0.3 1 810 73 73 ASP N N 114.964 0.3 1 811 74 74 ARG H H 7.799 0.02 1 812 74 74 ARG HA H 4.793 0.02 1 813 74 74 ARG HB2 H 2.008 0.02 2 814 74 74 ARG HB3 H 1.619 0.02 2 815 74 74 ARG HG2 H 1.448 0.02 2 816 74 74 ARG HG3 H 1.497 0.02 2 817 74 74 ARG HD2 H 3.175 0.02 2 818 74 74 ARG HD3 H 3.170 0.02 2 819 74 74 ARG HE H 7.041 0.02 1 820 74 74 ARG C C 176.471 0.3 1 821 74 74 ARG CA C 54.102 0.3 1 822 74 74 ARG CB C 31.956 0.3 1 823 74 74 ARG CG C 27.310 0.3 1 824 74 74 ARG CD C 43.475 0.3 1 825 74 74 ARG N N 117.338 0.3 1 826 74 74 ARG NE N 85.325 0.3 1 827 75 75 THR H H 7.739 0.02 1 828 75 75 THR HA H 5.519 0.02 1 829 75 75 THR HB H 3.842 0.02 1 830 75 75 THR HG2 H 1.094 0.02 1 831 75 75 THR C C 174.440 0.3 1 832 75 75 THR CA C 60.679 0.3 1 833 75 75 THR CB C 72.447 0.3 1 834 75 75 THR CG2 C 21.825 0.3 1 835 75 75 THR N N 111.372 0.3 1 836 76 76 VAL H H 9.183 0.02 1 837 76 76 VAL HA H 4.474 0.02 1 838 76 76 VAL HB H 1.950 0.02 1 839 76 76 VAL HG1 H 0.941 0.02 1 840 76 76 VAL HG2 H 0.902 0.02 1 841 76 76 VAL C C 173.848 0.3 1 842 76 76 VAL CA C 60.595 0.3 1 843 76 76 VAL CB C 35.472 0.3 1 844 76 76 VAL CG1 C 20.945 0.3 1 845 76 76 VAL CG2 C 21.507 0.3 1 846 76 76 VAL N N 121.578 0.3 1 847 77 77 ARG H H 8.477 0.02 1 848 77 77 ARG HA H 5.199 0.02 1 849 77 77 ARG HB2 H 1.788 0.02 2 850 77 77 ARG HB3 H 1.792 0.02 2 851 77 77 ARG HG2 H 1.504 0.02 2 852 77 77 ARG HG3 H 1.634 0.02 2 853 77 77 ARG HD2 H 3.129 0.02 2 854 77 77 ARG HD3 H 3.203 0.02 2 855 77 77 ARG HE H 8.171 0.02 1 856 77 77 ARG C C 176.772 0.3 1 857 77 77 ARG CA C 56.515 0.3 1 858 77 77 ARG CB C 31.435 0.3 1 859 77 77 ARG CG C 26.938 0.3 1 860 77 77 ARG CD C 43.100 0.3 1 861 77 77 ARG N N 127.333 0.3 1 862 77 77 ARG NE N 85.131 0.3 1 863 78 78 TYR H H 9.546 0.02 1 864 78 78 TYR HA H 4.736 0.02 1 865 78 78 TYR HB2 H 3.110 0.02 2 866 78 78 TYR HB3 H 2.709 0.02 2 867 78 78 TYR HD1 H 6.990 0.02 3 868 78 78 TYR HD2 H 6.988 0.02 3 869 78 78 TYR HE1 H 6.598 0.02 3 870 78 78 TYR HE2 H 6.598 0.02 3 871 78 78 TYR C C 174.531 0.3 1 872 78 78 TYR CA C 57.755 0.3 1 873 78 78 TYR CB C 44.274 0.3 1 874 78 78 TYR CD1 C 132.600 0.3 3 875 78 78 TYR CD2 C 132.600 0.3 3 876 78 78 TYR CE1 C 118.188 0.3 3 877 78 78 TYR CE2 C 118.188 0.3 3 878 78 78 TYR N N 128.053 0.3 1 879 79 79 LEU H H 9.069 0.02 1 880 79 79 LEU HA H 5.295 0.02 1 881 79 79 LEU HB2 H 2.198 0.02 2 882 79 79 LEU HB3 H 1.134 0.02 2 883 79 79 LEU HG H 1.727 0.02 1 884 79 79 LEU HD1 H 0.906 0.02 1 885 79 79 LEU HD2 H 0.836 0.02 1 886 79 79 LEU C C 178.201 0.3 1 887 79 79 LEU CA C 53.694 0.3 1 888 79 79 LEU CB C 43.799 0.3 1 889 79 79 LEU CG C 26.996 0.3 1 890 79 79 LEU CD1 C 25.684 0.3 1 891 79 79 LEU CD2 C 22.840 0.3 1 892 79 79 LEU N N 117.244 0.3 1 893 80 80 HIS H H 9.367 0.02 1 894 80 80 HIS HA H 5.325 0.02 1 895 80 80 HIS HB2 H 3.426 0.02 2 896 80 80 HIS HB3 H 3.047 0.02 2 897 80 80 HIS HD2 H 7.367 0.02 1 898 80 80 HIS HE1 H 6.852 0.02 1 899 80 80 HIS C C 174.628 0.3 1 900 80 80 HIS CA C 53.677 0.3 1 901 80 80 HIS CB C 29.935 0.3 1 902 80 80 HIS CD2 C 115.814 0.3 1 903 80 80 HIS CE1 C 137.345 0.3 1 904 80 80 HIS N N 123.220 0.3 1 905 80 80 HIS ND1 N 227.279 0.3 1 906 80 80 HIS NE2 N 167.242 0.3 1 907 81 81 VAL H H 7.742 0.02 1 908 81 81 VAL HA H 4.346 0.02 1 909 81 81 VAL HB H 2.384 0.02 1 910 81 81 VAL HG1 H 1.060 0.02 1 911 81 81 VAL HG2 H 0.773 0.02 1 912 81 81 VAL C C 176.515 0.3 1 913 81 81 VAL CA C 63.146 0.3 1 914 81 81 VAL CB C 32.140 0.3 1 915 81 81 VAL CG1 C 23.368 0.3 1 916 81 81 VAL CG2 C 18.625 0.3 1 917 81 81 VAL N N 118.534 0.3 1 918 82 82 ALA H H 7.877 0.02 1 919 82 82 ALA HA H 4.961 0.02 1 920 82 82 ALA HB H 1.136 0.02 1 921 82 82 ALA C C 176.233 0.3 1 922 82 82 ALA CA C 51.368 0.3 1 923 82 82 ALA CB C 21.615 0.3 1 924 82 82 ALA N N 120.442 0.3 1 925 83 83 THR H H 9.306 0.02 1 926 83 83 THR HA H 4.959 0.02 1 927 83 83 THR HB H 3.916 0.02 1 928 83 83 THR HG2 H 1.269 0.02 1 929 83 83 THR C C 172.137 0.3 1 930 83 83 THR CA C 63.143 0.3 1 931 83 83 THR CB C 71.378 0.3 1 932 83 83 THR CG2 C 22.116 0.3 1 933 83 83 THR N N 119.767 0.3 1 934 84 84 LEU H H 9.463 0.02 1 935 84 84 LEU HA H 5.079 0.02 1 936 84 84 LEU HB2 H 1.939 0.02 2 937 84 84 LEU HB3 H 1.240 0.02 2 938 84 84 LEU HG H 1.540 0.02 1 939 84 84 LEU HD1 H 0.667 0.02 1 940 84 84 LEU HD2 H 0.606 0.02 1 941 84 84 LEU C C 175.578 0.3 1 942 84 84 LEU CA C 53.324 0.3 1 943 84 84 LEU CB C 43.552 0.3 1 944 84 84 LEU CG C 27.690 0.3 1 945 84 84 LEU CD1 C 26.538 0.3 1 946 84 84 LEU CD2 C 24.807 0.3 1 947 84 84 LEU N N 128.373 0.3 1 948 85 85 SER H H 8.921 0.02 1 949 85 85 SER HA H 5.786 0.02 1 950 85 85 SER HB2 H 3.899 0.02 2 951 85 85 SER HB3 H 3.601 0.02 2 952 85 85 SER C C 174.087 0.3 1 953 85 85 SER CA C 57.452 0.3 1 954 85 85 SER CB C 64.668 0.3 1 955 85 85 SER N N 118.334 0.3 1 956 86 86 PHE H H 8.465 0.02 1 957 86 86 PHE HA H 5.068 0.02 1 958 86 86 PHE HB2 H 3.133 0.02 2 959 86 86 PHE HB3 H 2.887 0.02 2 960 86 86 PHE HD1 H 6.758 0.02 3 961 86 86 PHE HD2 H 6.758 0.02 3 962 86 86 PHE HE1 H 6.940 0.02 3 963 86 86 PHE HE2 H 6.946 0.02 3 964 86 86 PHE HZ H 6.991 0.02 1 965 86 86 PHE C C 172.168 0.3 1 966 86 86 PHE CA C 55.695 0.3 1 967 86 86 PHE CB C 40.423 0.3 1 968 86 86 PHE CD1 C 133.240 0.3 3 969 86 86 PHE CD2 C 133.240 0.3 3 970 86 86 PHE CE1 C 129.687 0.3 3 971 86 86 PHE CE2 C 129.671 0.3 3 972 86 86 PHE CZ C 128.511 0.3 1 973 86 86 PHE N N 122.120 0.3 1 974 87 87 ASP H H 9.003 0.02 1 975 87 87 ASP HA H 5.163 0.02 1 976 87 87 ASP HB2 H 2.486 0.02 2 977 87 87 ASP HB3 H 2.388 0.02 2 978 87 87 ASP C C 176.743 0.3 1 979 87 87 ASP CA C 53.413 0.3 1 980 87 87 ASP CB C 42.002 0.3 1 981 87 87 ASP N N 120.924 0.3 1 982 88 88 LEU H H 8.340 0.02 1 983 88 88 LEU HA H 4.550 0.02 1 984 88 88 LEU HB2 H 1.750 0.02 2 985 88 88 LEU HB3 H 1.552 0.02 2 986 88 88 LEU HG H 1.526 0.02 1 987 88 88 LEU HD1 H 0.840 0.02 1 988 88 88 LEU HD2 H 0.709 0.02 1 989 88 88 LEU C C 176.810 0.3 1 990 88 88 LEU CA C 55.255 0.3 1 991 88 88 LEU CB C 46.817 0.3 1 992 88 88 LEU CG C 27.150 0.3 1 993 88 88 LEU CD1 C 23.688 0.3 1 994 88 88 LEU CD2 C 26.168 0.3 1 995 88 88 LEU N N 120.390 0.3 1 996 89 89 ASP H H 9.788 0.02 1 997 89 89 ASP HA H 4.303 0.02 1 998 89 89 ASP HB2 H 2.896 0.02 2 999 89 89 ASP HB3 H 2.397 0.02 2 1000 89 89 ASP C C 176.180 0.3 1 1001 89 89 ASP CA C 55.009 0.3 1 1002 89 89 ASP CB C 39.552 0.3 1 1003 89 89 ASP N N 130.015 0.3 1 1004 90 90 GLY H H 8.693 0.02 1 1005 90 90 GLY HA2 H 4.104 0.02 2 1006 90 90 GLY HA3 H 3.627 0.02 2 1007 90 90 GLY C C 174.233 0.3 1 1008 90 90 GLY CA C 45.858 0.3 1 1009 90 90 GLY N N 103.837 0.3 1 1010 91 91 GLU H H 7.233 0.02 1 1011 91 91 GLU HA H 4.684 0.02 1 1012 91 91 GLU HB2 H 1.989 0.02 2 1013 91 91 GLU HB3 H 1.547 0.02 2 1014 91 91 GLU HG2 H 2.188 0.02 2 1015 91 91 GLU HG3 H 2.188 0.02 2 1016 91 91 GLU C C 175.195 0.3 1 1017 91 91 GLU CA C 54.369 0.3 1 1018 91 91 GLU CB C 33.825 0.3 1 1019 91 91 GLU CG C 35.824 0.3 1 1020 91 91 GLU N N 116.512 0.3 1 1021 92 92 SER H H 8.469 0.02 1 1022 92 92 SER HA H 4.681 0.02 1 1023 92 92 SER HB2 H 3.774 0.02 2 1024 92 92 SER HB3 H 3.693 0.02 2 1025 92 92 SER C C 174.581 0.3 1 1026 92 92 SER CA C 58.536 0.3 1 1027 92 92 SER CB C 63.017 0.3 1 1028 92 92 SER N N 117.582 0.3 1 1029 93 93 ARG H H 9.202 0.02 1 1030 93 93 ARG HA H 4.518 0.02 1 1031 93 93 ARG HB2 H 1.380 0.02 2 1032 93 93 ARG HB3 H 0.451 0.02 2 1033 93 93 ARG HG2 H 1.353 0.02 2 1034 93 93 ARG HG3 H 1.699 0.02 2 1035 93 93 ARG HD2 H 3.154 0.02 2 1036 93 93 ARG HD3 H 2.824 0.02 2 1037 93 93 ARG HE H 6.886 0.02 1 1038 93 93 ARG C C 174.332 0.3 1 1039 93 93 ARG CA C 52.715 0.3 1 1040 93 93 ARG CB C 32.700 0.3 1 1041 93 93 ARG CG C 27.667 0.3 1 1042 93 93 ARG CD C 43.374 0.3 1 1043 93 93 ARG N N 125.903 0.3 1 1044 93 93 ARG NE N 85.204 0.3 1 1045 94 94 ASP H H 7.786 0.02 1 1046 94 94 ASP HA H 5.842 0.02 1 1047 94 94 ASP HB2 H 2.456 0.02 2 1048 94 94 ASP HB3 H 2.390 0.02 2 1049 94 94 ASP C C 176.236 0.3 1 1050 94 94 ASP CA C 52.623 0.3 1 1051 94 94 ASP CB C 44.651 0.3 1 1052 94 94 ASP N N 116.781 0.3 1 1053 95 95 LEU H H 8.957 0.02 1 1054 95 95 LEU HA H 4.664 0.02 1 1055 95 95 LEU HB2 H 1.560 0.02 2 1056 95 95 LEU HB3 H 1.322 0.02 2 1057 95 95 LEU HG H 1.915 0.02 1 1058 95 95 LEU HD1 H 0.762 0.02 1 1059 95 95 LEU HD2 H 1.202 0.02 1 1060 95 95 LEU C C 176.458 0.3 1 1061 95 95 LEU CA C 53.690 0.3 1 1062 95 95 LEU CB C 48.061 0.3 1 1063 95 95 LEU CG C 26.770 0.3 1 1064 95 95 LEU CD1 C 26.095 0.3 1 1065 95 95 LEU CD2 C 24.092 0.3 1 1066 95 95 LEU N N 116.025 0.3 1 1067 96 96 HIS H H 9.813 0.02 1 1068 96 96 HIS HA H 4.620 0.02 1 1069 96 96 HIS HB2 H 1.908 0.02 2 1070 96 96 HIS HB3 H 2.970 0.02 2 1071 96 96 HIS HD2 H 6.866 0.02 1 1072 96 96 HIS HE1 H 8.099 0.02 1 1073 96 96 HIS C C 172.980 0.3 1 1074 96 96 HIS CA C 55.490 0.3 1 1075 96 96 HIS CB C 31.547 0.3 1 1076 96 96 HIS CD2 C 118.704 0.3 1 1077 96 96 HIS CE1 C 137.762 0.3 1 1078 96 96 HIS N N 122.717 0.3 1 1079 96 96 HIS ND1 N 210.888 0.3 1 1080 96 96 HIS NE2 N 178.385 0.3 1 1081 97 97 ALA H H 8.724 0.02 1 1082 97 97 ALA HA H 4.958 0.02 1 1083 97 97 ALA HB H 1.155 0.02 1 1084 97 97 ALA C C 176.903 0.3 1 1085 97 97 ALA CA C 49.499 0.3 1 1086 97 97 ALA CB C 23.794 0.3 1 1087 97 97 ALA N N 122.115 0.3 1 1088 98 98 PHE H H 9.283 0.02 1 1089 98 98 PHE HA H 6.374 0.02 1 1090 98 98 PHE HB2 H 3.570 0.02 2 1091 98 98 PHE HB3 H 2.868 0.02 2 1092 98 98 PHE HD1 H 7.084 0.02 3 1093 98 98 PHE HD2 H 7.082 0.02 3 1094 98 98 PHE HE1 H 7.109 0.02 3 1095 98 98 PHE HE2 H 7.109 0.02 3 1096 98 98 PHE HZ H 7.085 0.02 1 1097 98 98 PHE C C 175.877 0.3 1 1098 98 98 PHE CA C 56.880 0.3 1 1099 98 98 PHE CB C 44.915 0.3 1 1100 98 98 PHE CD1 C 131.523 0.3 3 1101 98 98 PHE CD2 C 131.538 0.3 3 1102 98 98 PHE CE1 C 131.809 0.3 3 1103 98 98 PHE CE2 C 131.809 0.3 3 1104 98 98 PHE CZ C 130.406 0.3 1 1105 98 98 PHE N N 118.605 0.3 1 1106 99 99 ARG H H 9.213 0.02 1 1107 99 99 ARG HA H 4.927 0.02 1 1108 99 99 ARG HB2 H 2.144 0.02 2 1109 99 99 ARG HB3 H 1.846 0.02 2 1110 99 99 ARG HG2 H 2.216 0.02 2 1111 99 99 ARG HG3 H 1.845 0.02 2 1112 99 99 ARG HD2 H 3.476 0.02 2 1113 99 99 ARG HD3 H 3.294 0.02 2 1114 99 99 ARG HE H 7.180 0.02 1 1115 99 99 ARG C C 176.148 0.3 1 1116 99 99 ARG CA C 57.055 0.3 1 1117 99 99 ARG CB C 34.898 0.3 1 1118 99 99 ARG CG C 27.917 0.3 1 1119 99 99 ARG CD C 43.693 0.3 1 1120 99 99 ARG N N 118.648 0.3 1 1121 99 99 ARG NE N 86.391 0.3 1 1122 100 100 GLN H H 9.758 0.02 1 1123 100 100 GLN HA H 3.977 0.02 1 1124 100 100 GLN HB2 H 2.105 0.02 2 1125 100 100 GLN HB3 H 1.871 0.02 2 1126 100 100 GLN HG2 H 2.002 0.02 2 1127 100 100 GLN HG3 H 1.668 0.02 2 1128 100 100 GLN HE21 H 6.966 0.02 2 1129 100 100 GLN HE22 H 6.834 0.02 2 1130 100 100 GLN C C 177.603 0.3 1 1131 100 100 GLN CA C 58.087 0.3 1 1132 100 100 GLN CB C 29.319 0.3 1 1133 100 100 GLN CG C 35.408 0.3 1 1134 100 100 GLN N N 126.920 0.3 1 1135 100 100 GLN NE2 N 111.802 0.3 1 1136 101 101 ALA H H 8.858 0.02 1 1137 101 101 ALA HA H 4.018 0.02 1 1138 101 101 ALA HB H 1.380 0.02 1 1139 101 101 ALA C C 178.636 0.3 1 1140 101 101 ALA CA C 54.963 0.3 1 1141 101 101 ALA CB C 18.333 0.3 1 1142 101 101 ALA N N 125.253 0.3 1 1143 102 102 ALA H H 8.167 0.02 1 1144 102 102 ALA HA H 4.278 0.02 1 1145 102 102 ALA HB H 1.393 0.02 1 1146 102 102 ALA C C 177.088 0.3 1 1147 102 102 ALA CA C 52.413 0.3 1 1148 102 102 ALA CB C 18.481 0.3 1 1149 102 102 ALA N N 117.031 0.3 1 1150 103 103 ASP H H 7.429 0.02 1 1151 103 103 ASP HA H 4.554 0.02 1 1152 103 103 ASP HB2 H 3.110 0.02 2 1153 103 103 ASP HB3 H 2.578 0.02 2 1154 103 103 ASP C C 176.800 0.3 1 1155 103 103 ASP CA C 53.922 0.3 1 1156 103 103 ASP CB C 41.550 0.3 1 1157 103 103 ASP N N 119.296 0.3 1 1158 104 104 GLU H H 8.734 0.02 1 1159 104 104 GLU HA H 4.435 0.02 1 1160 104 104 GLU HB2 H 2.274 0.02 2 1161 104 104 GLU HB3 H 1.895 0.02 2 1162 104 104 GLU HG2 H 2.353 0.02 2 1163 104 104 GLU HG3 H 2.236 0.02 2 1164 104 104 GLU C C 177.035 0.3 1 1165 104 104 GLU CA C 56.248 0.3 1 1166 104 104 GLU CB C 29.420 0.3 1 1167 104 104 GLU CG C 36.010 0.3 1 1168 104 104 GLU N N 125.549 0.3 1 1169 105 105 SER H H 8.560 0.02 1 1170 105 105 SER HA H 4.531 0.02 1 1171 105 105 SER HB2 H 4.269 0.02 2 1172 105 105 SER HB3 H 4.008 0.02 2 1173 105 105 SER C C 173.872 0.3 1 1174 105 105 SER CA C 58.623 0.3 1 1175 105 105 SER CB C 64.775 0.3 1 1176 105 105 SER N N 118.517 0.3 1 1177 106 106 ARG H H 8.639 0.02 1 1178 106 106 ARG HA H 4.397 0.02 1 1179 106 106 ARG HB2 H 1.933 0.02 2 1180 106 106 ARG HB3 H 1.745 0.02 2 1181 106 106 ARG HG2 H 1.689 0.02 2 1182 106 106 ARG HG3 H 1.569 0.02 2 1183 106 106 ARG HD2 H 2.991 0.02 2 1184 106 106 ARG HD3 H 2.991 0.02 2 1185 106 106 ARG HE H 7.154 0.02 1 1186 106 106 ARG C C 176.647 0.3 1 1187 106 106 ARG CA C 55.857 0.3 1 1188 106 106 ARG CB C 30.504 0.3 1 1189 106 106 ARG CG C 27.953 0.3 1 1190 106 106 ARG CD C 43.690 0.3 1 1191 106 106 ARG N N 116.429 0.3 1 1192 106 106 ARG NE N 85.023 0.3 1 1193 107 107 THR H H 7.835 0.02 1 1194 107 107 THR HA H 4.255 0.02 1 1195 107 107 THR HB H 4.002 0.02 1 1196 107 107 THR HG2 H 1.267 0.02 1 1197 107 107 THR C C 174.742 0.3 1 1198 107 107 THR CA C 64.726 0.3 1 1199 107 107 THR CB C 69.914 0.3 1 1200 107 107 THR CG2 C 21.913 0.3 1 1201 107 107 THR N N 115.187 0.3 1 1202 108 108 LEU H H 9.108 0.02 1 1203 108 108 LEU HA H 4.807 0.02 1 1204 108 108 LEU HB2 H 1.931 0.02 2 1205 108 108 LEU HB3 H 1.047 0.02 2 1206 108 108 LEU HG H 1.761 0.02 1 1207 108 108 LEU HD1 H 0.646 0.02 1 1208 108 108 LEU HD2 H 0.694 0.02 1 1209 108 108 LEU C C 174.606 0.3 1 1210 108 108 LEU CA C 53.522 0.3 1 1211 108 108 LEU CB C 44.700 0.3 1 1212 108 108 LEU CG C 26.149 0.3 1 1213 108 108 LEU CD1 C 25.206 0.3 1 1214 108 108 LEU CD2 C 23.973 0.3 1 1215 108 108 LEU N N 124.762 0.3 1 1216 109 109 PHE H H 9.333 0.02 1 1217 109 109 PHE HA H 5.247 0.02 1 1218 109 109 PHE HB2 H 3.504 0.02 2 1219 109 109 PHE HB3 H 3.186 0.02 2 1220 109 109 PHE HD1 H 6.865 0.02 3 1221 109 109 PHE HD2 H 6.865 0.02 3 1222 109 109 PHE HE1 H 5.964 0.02 3 1223 109 109 PHE HE2 H 5.964 0.02 3 1224 109 109 PHE HZ H 6.262 0.02 1 1225 109 109 PHE C C 175.472 0.3 1 1226 109 109 PHE CA C 55.950 0.3 1 1227 109 109 PHE CB C 39.879 0.3 1 1228 109 109 PHE CD1 C 131.553 0.3 3 1229 109 109 PHE CD2 C 131.553 0.3 3 1230 109 109 PHE CE1 C 129.963 0.3 3 1231 109 109 PHE CE2 C 129.963 0.3 3 1232 109 109 PHE CZ C 129.023 0.3 1 1233 109 109 PHE N N 125.006 0.3 1 1234 110 110 VAL H H 8.778 0.02 1 1235 110 110 VAL HA H 4.569 0.02 1 1236 110 110 VAL HB H 2.130 0.02 1 1237 110 110 VAL HG1 H 0.752 0.02 1 1238 110 110 VAL HG2 H 0.630 0.02 1 1239 110 110 VAL C C 172.157 0.3 1 1240 110 110 VAL CA C 59.334 0.3 1 1241 110 110 VAL CB C 32.661 0.3 1 1242 110 110 VAL CG1 C 23.605 0.3 1 1243 110 110 VAL CG2 C 19.810 0.3 1 1244 110 110 VAL N N 127.815 0.3 1 1245 111 111 PRO HA H 5.645 0.02 1 1246 111 111 PRO HG2 H 1.930 0.02 2 1247 111 111 PRO HG3 H 1.920 0.02 2 1248 111 111 PRO HD2 H 3.633 0.02 2 1249 111 111 PRO HD3 H 1.843 0.02 2 1250 111 111 PRO C C 176.999 0.3 1 1251 111 111 PRO CA C 61.325 0.3 1 1252 111 111 PRO CG C 27.140 0.3 1 1253 111 111 PRO CD C 48.610 0.3 1 1254 112 112 PHE H H 10.164 0.02 1 1255 112 112 PHE HA H 5.580 0.02 1 1256 112 112 PHE HB2 H 3.292 0.02 2 1257 112 112 PHE HB3 H 3.588 0.02 2 1258 112 112 PHE HD1 H 7.349 0.02 3 1259 112 112 PHE HD2 H 7.347 0.02 3 1260 112 112 PHE HE1 H 7.228 0.02 3 1261 112 112 PHE HE2 H 7.227 0.02 3 1262 112 112 PHE HZ H 7.111 0.02 1 1263 112 112 PHE C C 173.130 0.3 1 1264 112 112 PHE CA C 57.749 0.3 1 1265 112 112 PHE CB C 41.709 0.3 1 1266 112 112 PHE CD1 C 132.439 0.3 3 1267 112 112 PHE CD2 C 132.406 0.3 3 1268 112 112 PHE CE1 C 131.540 0.3 3 1269 112 112 PHE CE2 C 131.535 0.3 3 1270 112 112 PHE CZ C 128.612 0.3 1 1271 112 112 PHE N N 120.205 0.3 1 1272 113 113 ARG H H 8.643 0.02 1 1273 113 113 ARG HA H 4.786 0.02 1 1274 113 113 ARG HB2 H 1.794 0.02 2 1275 113 113 ARG HB3 H 1.484 0.02 2 1276 113 113 ARG HG2 H 1.370 0.02 2 1277 113 113 ARG HG3 H 1.342 0.02 2 1278 113 113 ARG HD2 H 2.153 0.02 2 1279 113 113 ARG HD3 H 1.978 0.02 2 1280 113 113 ARG HE H 6.354 0.02 1 1281 113 113 ARG C C 174.542 0.3 1 1282 113 113 ARG CA C 54.908 0.3 1 1283 113 113 ARG CB C 35.219 0.3 1 1284 113 113 ARG CG C 28.818 0.3 1 1285 113 113 ARG CD C 42.578 0.3 1 1286 113 113 ARG N N 117.652 0.3 1 1287 113 113 ARG NE N 82.562 0.3 1 1288 114 114 ASP H H 9.263 0.02 1 1289 114 114 ASP HA H 5.702 0.02 1 1290 114 114 ASP HB2 H 3.781 0.02 2 1291 114 114 ASP HB3 H 2.811 0.02 2 1292 114 114 ASP C C 176.203 0.3 1 1293 114 114 ASP CA C 54.563 0.3 1 1294 114 114 ASP CB C 42.748 0.3 1 1295 114 114 ASP N N 118.871 0.3 1 1296 115 115 LYS H H 8.638 0.02 1 1297 115 115 LYS HA H 4.306 0.02 1 1298 115 115 LYS HB2 H 2.001 0.02 2 1299 115 115 LYS HB3 H 1.248 0.02 2 1300 115 115 LYS HG2 H 1.438 0.02 2 1301 115 115 LYS HG3 H 1.453 0.02 2 1302 115 115 LYS HD2 H 1.634 0.02 2 1303 115 115 LYS HD3 H 1.634 0.02 2 1304 115 115 LYS HE2 H 2.899 0.02 2 1305 115 115 LYS HE3 H 2.955 0.02 2 1306 115 115 LYS C C 178.794 0.3 1 1307 115 115 LYS CA C 59.335 0.3 1 1308 115 115 LYS CB C 31.713 0.3 1 1309 115 115 LYS CG C 25.812 0.3 1 1310 115 115 LYS CD C 28.900 0.3 1 1311 115 115 LYS CE C 41.749 0.3 1 1312 115 115 LYS N N 120.153 0.3 1 1313 116 116 THR H H 9.478 0.02 1 1314 116 116 THR HA H 4.542 0.02 1 1315 116 116 THR HB H 4.379 0.02 1 1316 116 116 THR HG2 H 1.130 0.02 1 1317 116 116 THR C C 177.866 0.3 1 1318 116 116 THR CA C 63.822 0.3 1 1319 116 116 THR CB C 71.289 0.3 1 1320 116 116 THR CG2 C 20.917 0.3 1 1321 116 116 THR N N 108.443 0.3 1 1322 117 117 THR H H 8.144 0.02 1 1323 117 117 THR HA H 3.670 0.02 1 1324 117 117 THR HB H 4.218 0.02 1 1325 117 117 THR HG2 H 1.116 0.02 1 1326 117 117 THR C C 176.517 0.3 1 1327 117 117 THR CA C 65.597 0.3 1 1328 117 117 THR CB C 68.686 0.3 1 1329 117 117 THR CG2 C 22.725 0.3 1 1330 117 117 THR N N 126.677 0.3 1 1331 118 118 GLY H H 8.088 0.02 1 1332 118 118 GLY HA2 H 4.319 0.02 2 1333 118 118 GLY HA3 H 3.742 0.02 2 1334 118 118 GLY C C 173.276 0.3 1 1335 118 118 GLY CA C 45.541 0.3 1 1336 118 118 GLY N N 115.957 0.3 1 1337 119 119 GLN H H 8.264 0.02 1 1338 119 119 GLN HA H 4.551 0.02 1 1339 119 119 GLN HB2 H 2.182 0.02 2 1340 119 119 GLN HB3 H 1.868 0.02 2 1341 119 119 GLN HG2 H 2.363 0.02 2 1342 119 119 GLN HG3 H 2.198 0.02 2 1343 119 119 GLN HE21 H 7.480 0.02 2 1344 119 119 GLN HE22 H 6.791 0.02 2 1345 119 119 GLN C C 175.548 0.3 1 1346 119 119 GLN CA C 56.480 0.3 1 1347 119 119 GLN CB C 29.303 0.3 1 1348 119 119 GLN CG C 33.271 0.3 1 1349 119 119 GLN N N 119.592 0.3 1 1350 119 119 GLN NE2 N 112.218 0.3 1 1351 120 120 GLN H H 8.577 0.02 1 1352 120 120 GLN HA H 4.512 0.02 1 1353 120 120 GLN HB2 H 2.238 0.02 2 1354 120 120 GLN HB3 H 2.062 0.02 2 1355 120 120 GLN HG2 H 2.610 0.02 2 1356 120 120 GLN HG3 H 2.402 0.02 2 1357 120 120 GLN HE21 H 7.577 0.02 2 1358 120 120 GLN HE22 H 6.792 0.02 2 1359 120 120 GLN C C 175.211 0.3 1 1360 120 120 GLN CA C 57.118 0.3 1 1361 120 120 GLN CB C 31.602 0.3 1 1362 120 120 GLN CG C 34.285 0.3 1 1363 120 120 GLN N N 115.843 0.3 1 1364 120 120 GLN NE2 N 110.618 0.3 1 1365 121 121 SER H H 8.182 0.02 1 1366 121 121 SER HA H 4.510 0.02 1 1367 121 121 SER HB2 H 3.864 0.02 2 1368 121 121 SER HB3 H 3.864 0.02 2 1369 121 121 SER CA C 57.641 0.3 1 1370 121 121 SER CB C 66.108 0.3 1 1371 121 121 SER N N 112.604 0.3 1 1372 122 122 TYR HA H 4.297 0.02 1 1373 122 122 TYR HB2 H 3.014 0.02 2 1374 122 122 TYR HB3 H 3.065 0.02 2 1375 122 122 TYR HD1 H 7.077 0.02 3 1376 122 122 TYR HD2 H 7.077 0.02 3 1377 122 122 TYR HE1 H 6.940 0.02 3 1378 122 122 TYR HE2 H 6.940 0.02 3 1379 122 122 TYR C C 177.851 0.3 1 1380 122 122 TYR CA C 59.424 0.3 1 1381 122 122 TYR CB C 37.279 0.3 1 1382 122 122 TYR CD1 C 131.755 0.3 3 1383 122 122 TYR CD2 C 131.755 0.3 3 1384 122 122 TYR CE1 C 118.127 0.3 3 1385 122 122 TYR CE2 C 118.127 0.3 3 1386 123 123 ASP H H 8.147 0.02 1 1387 123 123 ASP HA H 3.792 0.02 1 1388 123 123 ASP HB2 H 2.322 0.02 2 1389 123 123 ASP HB3 H 2.276 0.02 2 1390 123 123 ASP C C 175.044 0.3 1 1391 123 123 ASP CA C 57.133 0.3 1 1392 123 123 ASP CB C 40.753 0.3 1 1393 123 123 ASP N N 127.469 0.3 1 1394 124 124 GLY H H 5.103 0.02 1 1395 124 124 GLY HA2 H 4.030 0.02 2 1396 124 124 GLY HA3 H 3.257 0.02 2 1397 124 124 GLY C C 173.655 0.3 1 1398 124 124 GLY CA C 44.719 0.3 1 1399 124 124 GLY N N 102.183 0.3 1 1400 125 125 GLY H H 7.220 0.02 1 1401 125 125 GLY HA2 H 4.409 0.02 2 1402 125 125 GLY HA3 H 3.652 0.02 2 1403 125 125 GLY C C 170.957 0.3 1 1404 125 125 GLY CA C 43.514 0.3 1 1405 125 125 GLY N N 107.456 0.3 1 1406 126 126 ARG H H 8.022 0.02 1 1407 126 126 ARG HA H 4.616 0.02 1 1408 126 126 ARG HB2 H 1.789 0.02 2 1409 126 126 ARG HB3 H 1.778 0.02 2 1410 126 126 ARG HG2 H 1.580 0.02 2 1411 126 126 ARG HG3 H 1.580 0.02 2 1412 126 126 ARG HD2 H 3.137 0.02 2 1413 126 126 ARG HD3 H 3.137 0.02 2 1414 126 126 ARG HE H 7.232 0.02 1 1415 126 126 ARG C C 174.541 0.3 1 1416 126 126 ARG CA C 54.489 0.3 1 1417 126 126 ARG CB C 38.548 0.3 1 1418 126 126 ARG CG C 27.310 0.3 1 1419 126 126 ARG CD C 42.773 0.3 1 1420 126 126 ARG N N 110.554 0.3 1 1421 126 126 ARG NE N 84.612 0.3 1 1422 127 127 TYR H H 9.133 0.02 1 1423 127 127 TYR HA H 5.218 0.02 1 1424 127 127 TYR HB2 H 2.910 0.02 2 1425 127 127 TYR HB3 H 2.910 0.02 2 1426 127 127 TYR HD1 H 7.067 0.02 3 1427 127 127 TYR HD2 H 7.067 0.02 3 1428 127 127 TYR HE1 H 6.778 0.02 3 1429 127 127 TYR HE2 H 6.778 0.02 3 1430 127 127 TYR C C 175.827 0.3 1 1431 127 127 TYR CA C 53.491 0.3 1 1432 127 127 TYR CB C 40.237 0.3 1 1433 127 127 TYR CD1 C 133.230 0.3 3 1434 127 127 TYR CD2 C 133.230 0.3 3 1435 127 127 TYR CE1 C 118.220 0.3 3 1436 127 127 TYR CE2 C 118.220 0.3 3 1437 127 127 TYR N N 117.592 0.3 1 1438 128 128 MET H H 7.440 0.02 1 1439 128 128 MET HA H 4.903 0.02 1 1440 128 128 MET HB2 H 1.992 0.02 2 1441 128 128 MET HB3 H 1.704 0.02 2 1442 128 128 MET HG2 H 2.343 0.02 2 1443 128 128 MET HG3 H 2.343 0.02 2 1444 128 128 MET HE H 1.155 0.02 1 1445 128 128 MET C C 175.256 0.3 1 1446 128 128 MET CA C 54.557 0.3 1 1447 128 128 MET CB C 35.815 0.3 1 1448 128 128 MET CG C 32.374 0.3 1 1449 128 128 MET CE C 16.323 0.3 1 1450 128 128 MET N N 115.261 0.3 1 1451 129 129 GLU H H 8.560 0.02 1 1452 129 129 GLU HA H 5.426 0.02 1 1453 129 129 GLU HB2 H 2.152 0.02 2 1454 129 129 GLU HB3 H 2.175 0.02 2 1455 129 129 GLU HG2 H 2.463 0.02 2 1456 129 129 GLU HG3 H 2.308 0.02 2 1457 129 129 GLU C C 175.575 0.3 1 1458 129 129 GLU CA C 55.437 0.3 1 1459 129 129 GLU CB C 33.427 0.3 1 1460 129 129 GLU CG C 37.613 0.3 1 1461 129 129 GLU N N 120.492 0.3 1 1462 130 130 LEU H H 9.048 0.02 1 1463 130 130 LEU HA H 4.864 0.02 1 1464 130 130 LEU HB2 H 1.627 0.02 2 1465 130 130 LEU HB3 H 1.542 0.02 2 1466 130 130 LEU HG H 1.566 0.02 1 1467 130 130 LEU HD1 H 0.691 0.02 1 1468 130 130 LEU HD2 H 0.809 0.02 1 1469 130 130 LEU C C 175.708 0.3 1 1470 130 130 LEU CA C 53.902 0.3 1 1471 130 130 LEU CB C 44.675 0.3 1 1472 130 130 LEU CG C 27.866 0.3 1 1473 130 130 LEU CD1 C 25.929 0.3 1 1474 130 130 LEU CD2 C 24.966 0.3 1 1475 130 130 LEU N N 124.650 0.3 1 1476 131 131 GLU H H 8.932 0.02 1 1477 131 131 GLU HA H 4.858 0.02 1 1478 131 131 GLU HB2 H 2.042 0.02 2 1479 131 131 GLU HB3 H 1.842 0.02 2 1480 131 131 GLU HG2 H 2.062 0.02 2 1481 131 131 GLU HG3 H 2.143 0.02 2 1482 131 131 GLU C C 173.376 0.3 1 1483 131 131 GLU CA C 52.847 0.3 1 1484 131 131 GLU CB C 30.205 0.3 1 1485 131 131 GLU CG C 35.575 0.3 1 1486 131 131 GLU N N 122.247 0.3 1 1487 132 132 PRO HA H 4.544 0.02 1 1488 132 132 PRO HB2 H 2.339 0.02 2 1489 132 132 PRO HB3 H 2.141 0.02 2 1490 132 132 PRO HG2 H 1.791 0.02 2 1491 132 132 PRO HG3 H 2.142 0.02 2 1492 132 132 PRO HD2 H 3.693 0.02 2 1493 132 132 PRO HD3 H 3.513 0.02 2 1494 132 132 PRO C C 176.649 0.3 1 1495 132 132 PRO CA C 62.859 0.3 1 1496 132 132 PRO CB C 32.711 0.3 1 1497 132 132 PRO CG C 27.715 0.3 1 1498 132 132 PRO CD C 50.692 0.3 1 1499 133 133 ASP H H 8.710 0.02 1 1500 133 133 ASP HA H 4.484 0.02 1 1501 133 133 ASP HB2 H 2.722 0.02 2 1502 133 133 ASP HB3 H 2.822 0.02 2 1503 133 133 ASP C C 175.275 0.3 1 1504 133 133 ASP CA C 54.269 0.3 1 1505 133 133 ASP CB C 40.866 0.3 1 1506 133 133 ASP N N 120.427 0.3 1 1507 134 134 ARG H H 7.448 0.02 1 1508 134 134 ARG HA H 4.384 0.02 1 1509 134 134 ARG HB2 H 1.844 0.02 2 1510 134 134 ARG HB3 H 1.725 0.02 2 1511 134 134 ARG HG2 H 1.493 0.02 2 1512 134 134 ARG HG3 H 1.304 0.02 2 1513 134 134 ARG HD2 H 3.132 0.02 2 1514 134 134 ARG HD3 H 3.132 0.02 2 1515 134 134 ARG HE H 7.298 0.02 1 1516 134 134 ARG C C 174.576 0.3 1 1517 134 134 ARG CA C 53.847 0.3 1 1518 134 134 ARG CB C 31.828 0.3 1 1519 134 134 ARG CG C 25.204 0.3 1 1520 134 134 ARG CD C 43.430 0.3 1 1521 134 134 ARG N N 114.329 0.3 1 1522 134 134 ARG NE N 85.414 0.3 1 1523 135 135 ASP H H 8.457 0.02 1 1524 135 135 ASP HA H 4.524 0.02 1 1525 135 135 ASP HB2 H 2.647 0.02 2 1526 135 135 ASP HB3 H 2.512 0.02 2 1527 135 135 ASP C C 176.440 0.3 1 1528 135 135 ASP CA C 54.879 0.3 1 1529 135 135 ASP CB C 40.260 0.3 1 1530 135 135 ASP N N 119.047 0.3 1 1531 136 136 LEU H H 8.228 0.02 1 1532 136 136 LEU HA H 4.450 0.02 1 1533 136 136 LEU HB2 H 1.639 0.02 2 1534 136 136 LEU HB3 H 1.200 0.02 2 1535 136 136 LEU HG H 1.788 0.02 1 1536 136 136 LEU HD1 H 0.835 0.02 1 1537 136 136 LEU HD2 H 0.849 0.02 1 1538 136 136 LEU C C 176.891 0.3 1 1539 136 136 LEU CA C 54.657 0.3 1 1540 136 136 LEU CB C 43.779 0.3 1 1541 136 136 LEU CG C 26.510 0.3 1 1542 136 136 LEU CD1 C 26.201 0.3 1 1543 136 136 LEU CD2 C 22.973 0.3 1 1544 136 136 LEU N N 124.529 0.3 1 1545 137 137 SER H H 8.919 0.02 1 1546 137 137 SER HA H 4.620 0.02 1 1547 137 137 SER HB2 H 3.784 0.02 2 1548 137 137 SER HB3 H 3.606 0.02 2 1549 137 137 SER C C 173.055 0.3 1 1550 137 137 SER CA C 56.841 0.3 1 1551 137 137 SER CB C 65.796 0.3 1 1552 137 137 SER N N 118.128 0.3 1 1553 138 138 ASP H H 8.529 0.02 1 1554 138 138 ASP HA H 4.452 0.02 1 1555 138 138 ASP HB2 H 2.765 0.02 2 1556 138 138 ASP HB3 H 2.544 0.02 2 1557 138 138 ASP C C 178.299 0.3 1 1558 138 138 ASP CA C 56.083 0.3 1 1559 138 138 ASP CB C 40.320 0.3 1 1560 138 138 ASP N N 121.063 0.3 1 1561 139 139 GLY H H 9.296 0.02 1 1562 139 139 GLY HA2 H 4.351 0.02 2 1563 139 139 GLY HA3 H 3.512 0.02 2 1564 139 139 GLY C C 175.058 0.3 1 1565 139 139 GLY CA C 45.092 0.3 1 1566 139 139 GLY N N 112.831 0.3 1 1567 140 140 ASP H H 8.025 0.02 1 1568 140 140 ASP HA H 4.601 0.02 1 1569 140 140 ASP HB2 H 2.757 0.02 2 1570 140 140 ASP HB3 H 2.570 0.02 2 1571 140 140 ASP C C 174.833 0.3 1 1572 140 140 ASP CA C 55.249 0.3 1 1573 140 140 ASP CB C 41.752 0.3 1 1574 140 140 ASP N N 121.912 0.3 1 1575 141 141 GLU H H 8.282 0.02 1 1576 141 141 GLU HA H 5.542 0.02 1 1577 141 141 GLU HB2 H 1.879 0.02 2 1578 141 141 GLU HB3 H 1.881 0.02 2 1579 141 141 GLU HG2 H 2.265 0.02 2 1580 141 141 GLU HG3 H 2.175 0.02 2 1581 141 141 GLU C C 176.798 0.3 1 1582 141 141 GLU CA C 54.472 0.3 1 1583 141 141 GLU CB C 32.250 0.3 1 1584 141 141 GLU CG C 36.332 0.3 1 1585 141 141 GLU N N 118.029 0.3 1 1586 142 142 ILE H H 9.051 0.02 1 1587 142 142 ILE HA H 4.603 0.02 1 1588 142 142 ILE HB H 1.623 0.02 1 1589 142 142 ILE HG12 H 1.465 0.02 2 1590 142 142 ILE HG13 H 0.967 0.02 2 1591 142 142 ILE HG2 H 0.628 0.02 1 1592 142 142 ILE HD1 H 0.702 0.02 1 1593 142 142 ILE C C 173.684 0.3 1 1594 142 142 ILE CA C 59.443 0.3 1 1595 142 142 ILE CB C 42.454 0.3 1 1596 142 142 ILE CG1 C 27.388 0.3 1 1597 142 142 ILE CG2 C 16.882 0.3 1 1598 142 142 ILE CD1 C 14.981 0.3 1 1599 142 142 ILE N N 120.028 0.3 1 1600 143 143 THR H H 8.286 0.02 1 1601 143 143 THR HA H 4.383 0.02 1 1602 143 143 THR HB H 3.843 0.02 1 1603 143 143 THR HG2 H 0.959 0.02 1 1604 143 143 THR C C 173.616 0.3 1 1605 143 143 THR CA C 63.715 0.3 1 1606 143 143 THR CB C 68.933 0.3 1 1607 143 143 THR CG2 C 22.146 0.3 1 1608 143 143 THR N N 121.975 0.3 1 1609 144 144 LEU H H 9.285 0.02 1 1610 144 144 LEU HA H 4.080 0.02 1 1611 144 144 LEU HB2 H 1.170 0.02 2 1612 144 144 LEU HB3 H 0.649 0.02 2 1613 144 144 LEU HG H 0.479 0.02 1 1614 144 144 LEU HD1 H 0.112 0.02 1 1615 144 144 LEU HD2 H -0.236 0.02 1 1616 144 144 LEU C C 172.798 0.3 1 1617 144 144 LEU CA C 53.195 0.3 1 1618 144 144 LEU CB C 43.617 0.3 1 1619 144 144 LEU CG C 26.047 0.3 1 1620 144 144 LEU CD1 C 24.700 0.3 1 1621 144 144 LEU CD2 C 26.005 0.3 1 1622 144 144 LEU N N 132.612 0.3 1 1623 145 145 ASP H H 8.402 0.02 1 1624 145 145 ASP HA H 5.377 0.02 1 1625 145 145 ASP HB2 H 3.166 0.02 2 1626 145 145 ASP HB3 H 2.187 0.02 2 1627 145 145 ASP C C 177.922 0.3 1 1628 145 145 ASP CA C 51.956 0.3 1 1629 145 145 ASP CB C 41.298 0.3 1 1630 145 145 ASP N N 122.483 0.3 1 1631 146 146 PHE H H 8.739 0.02 1 1632 146 146 PHE HA H 4.481 0.02 1 1633 146 146 PHE HB2 H 3.001 0.02 2 1634 146 146 PHE HB3 H 2.926 0.02 2 1635 146 146 PHE HD1 H 7.137 0.02 3 1636 146 146 PHE HD2 H 7.139 0.02 3 1637 146 146 PHE HE1 H 6.078 0.02 3 1638 146 146 PHE HE2 H 6.081 0.02 3 1639 146 146 PHE HZ H 6.433 0.02 1 1640 146 146 PHE C C 177.895 0.3 1 1641 146 146 PHE CA C 61.141 0.3 1 1642 146 146 PHE CB C 38.713 0.3 1 1643 146 146 PHE CD1 C 132.000 0.3 3 1644 146 146 PHE CD2 C 131.976 0.3 3 1645 146 146 PHE CE1 C 129.947 0.3 3 1646 146 146 PHE CE2 C 129.947 0.3 3 1647 146 146 PHE CZ C 128.354 0.3 1 1648 146 146 PHE N N 123.011 0.3 1 1649 147 147 ASN H H 8.977 0.02 1 1650 147 147 ASN HA H 4.365 0.02 1 1651 147 147 ASN HB2 H 2.548 0.02 2 1652 147 147 ASN HB3 H 3.500 0.02 2 1653 147 147 ASN C C 176.476 0.3 1 1654 147 147 ASN CA C 56.237 0.3 1 1655 147 147 ASN CB C 38.705 0.3 1 1656 147 147 ASN N N 114.966 0.3 1 1657 148 148 LEU H H 8.228 0.02 1 1658 148 148 LEU HA H 4.471 0.02 1 1659 148 148 LEU HB2 H 2.034 0.02 2 1660 148 148 LEU HB3 H 1.992 0.02 2 1661 148 148 LEU HG H 1.622 0.02 1 1662 148 148 LEU HD1 H 1.128 0.02 1 1663 148 148 LEU HD2 H 0.881 0.02 1 1664 148 148 LEU C C 177.184 0.3 1 1665 148 148 LEU CA C 54.558 0.3 1 1666 148 148 LEU CB C 41.589 0.3 1 1667 148 148 LEU CG C 26.970 0.3 1 1668 148 148 LEU CD1 C 25.970 0.3 1 1669 148 148 LEU CD2 C 22.978 0.3 1 1670 148 148 LEU N N 118.731 0.3 1 1671 149 149 ALA H H 7.723 0.02 1 1672 149 149 ALA HA H 5.116 0.02 1 1673 149 149 ALA HB H 1.834 0.02 1 1674 149 149 ALA C C 178.593 0.3 1 1675 149 149 ALA CA C 53.412 0.3 1 1676 149 149 ALA CB C 19.788 0.3 1 1677 149 149 ALA N N 124.144 0.3 1 1678 150 150 TYR H H 9.428 0.02 1 1679 150 150 TYR HA H 5.621 0.02 1 1680 150 150 TYR HB2 H 3.378 0.02 2 1681 150 150 TYR HB3 H 3.177 0.02 2 1682 150 150 TYR HD1 H 7.557 0.02 3 1683 150 150 TYR HD2 H 7.557 0.02 3 1684 150 150 TYR HE1 H 6.853 0.02 3 1685 150 150 TYR HE2 H 6.853 0.02 3 1686 150 150 TYR C C 174.454 0.3 1 1687 150 150 TYR CA C 54.894 0.3 1 1688 150 150 TYR CB C 41.939 0.3 1 1689 150 150 TYR CD1 C 135.389 0.3 3 1690 150 150 TYR CD2 C 135.389 0.3 3 1691 150 150 TYR CE1 C 118.329 0.3 3 1692 150 150 TYR CE2 C 118.329 0.3 3 1693 150 150 TYR N N 122.021 0.3 1 1694 151 151 SER H H 8.793 0.02 1 1695 151 151 SER HA H 4.640 0.02 1 1696 151 151 SER HB2 H 3.212 0.02 2 1697 151 151 SER HB3 H 3.841 0.02 2 1698 151 151 SER CA C 56.966 0.3 1 1699 151 151 SER CB C 61.974 0.3 1 1700 151 151 SER N N 118.776 0.3 1 1701 152 152 PRO HA H 4.164 0.02 1 1702 152 152 PRO HB2 H 1.707 0.02 2 1703 152 152 PRO HB3 H 2.051 0.02 2 1704 152 152 PRO HG2 H 1.467 0.02 2 1705 152 152 PRO HG3 H 1.471 0.02 2 1706 152 152 PRO HD2 H 3.584 0.02 2 1707 152 152 PRO HD3 H 3.584 0.02 2 1708 152 152 PRO C C 178.156 0.3 1 1709 152 152 PRO CA C 61.558 0.3 1 1710 152 152 PRO CB C 31.566 0.3 1 1711 152 152 PRO CG C 26.890 0.3 1 1712 152 152 PRO CD C 51.055 0.3 1 1713 153 153 PHE H H 9.178 0.02 1 1714 153 153 PHE HA H 4.555 0.02 1 1715 153 153 PHE HB2 H 2.479 0.02 2 1716 153 153 PHE HB3 H 2.263 0.02 2 1717 153 153 PHE HD1 H 6.977 0.02 3 1718 153 153 PHE HD2 H 6.978 0.02 3 1719 153 153 PHE HE1 H 7.542 0.02 3 1720 153 153 PHE HE2 H 7.542 0.02 3 1721 153 153 PHE HZ H 7.370 0.02 1 1722 153 153 PHE C C 177.732 0.3 1 1723 153 153 PHE CA C 57.642 0.3 1 1724 153 153 PHE CB C 39.000 0.3 1 1725 153 153 PHE CD1 C 129.709 0.3 3 1726 153 153 PHE CD2 C 129.699 0.3 3 1727 153 153 PHE CE1 C 131.510 0.3 3 1728 153 153 PHE CE2 C 131.510 0.3 3 1729 153 153 PHE CZ C 129.032 0.3 1 1730 153 153 PHE N N 119.990 0.3 1 1731 154 154 CYS H H 7.698 0.02 1 1732 154 154 CYS HA H 5.522 0.02 1 1733 154 154 CYS HB2 H 3.553 0.02 2 1734 154 154 CYS HB3 H 3.074 0.02 2 1735 154 154 CYS C C 175.269 0.3 1 1736 154 154 CYS CA C 57.966 0.3 1 1737 154 154 CYS CB C 26.706 0.3 1 1738 154 154 CYS N N 116.925 0.3 1 1739 155 155 ALA H H 7.997 0.02 1 1740 155 155 ALA HA H 3.625 0.02 1 1741 155 155 ALA HB H 0.024 0.02 1 1742 155 155 ALA C C 178.664 0.3 1 1743 155 155 ALA CA C 53.866 0.3 1 1744 155 155 ALA CB C 17.729 0.3 1 1745 155 155 ALA N N 124.902 0.3 1 1746 156 156 TYR H H 7.249 0.02 1 1747 156 156 TYR HA H 4.631 0.02 1 1748 156 156 TYR HB2 H 3.143 0.02 2 1749 156 156 TYR HB3 H 2.455 0.02 2 1750 156 156 TYR HD1 H 6.780 0.02 3 1751 156 156 TYR HD2 H 6.778 0.02 3 1752 156 156 TYR HE1 H 6.816 0.02 3 1753 156 156 TYR HE2 H 6.816 0.02 3 1754 156 156 TYR C C 177.072 0.3 1 1755 156 156 TYR CA C 55.794 0.3 1 1756 156 156 TYR CB C 39.636 0.3 1 1757 156 156 TYR CD1 C 132.479 0.3 3 1758 156 156 TYR CD2 C 132.489 0.3 3 1759 156 156 TYR CE1 C 118.319 0.3 3 1760 156 156 TYR CE2 C 118.319 0.3 3 1761 156 156 TYR N N 115.598 0.3 1 1762 157 157 SER H H 7.491 0.02 1 1763 157 157 SER HA H 4.664 0.02 1 1764 157 157 SER HB2 H 4.202 0.02 2 1765 157 157 SER HB3 H 3.833 0.02 2 1766 157 157 SER C C 174.723 0.3 1 1767 157 157 SER CA C 57.127 0.3 1 1768 157 157 SER CB C 64.352 0.3 1 1769 157 157 SER N N 109.596 0.3 1 1770 158 158 ASP H H 8.848 0.02 1 1771 158 158 ASP HA H 4.658 0.02 1 1772 158 158 ASP HB2 H 2.891 0.02 2 1773 158 158 ASP HB3 H 2.830 0.02 2 1774 158 158 ASP C C 176.804 0.3 1 1775 158 158 ASP CA C 55.520 0.3 1 1776 158 158 ASP CB C 40.111 0.3 1 1777 158 158 ASP N N 126.558 0.3 1 1778 159 159 THR H H 7.699 0.02 1 1779 159 159 THR HA H 3.982 0.02 1 1780 159 159 THR HB H 3.970 0.02 1 1781 159 159 THR HG2 H 1.037 0.02 1 1782 159 159 THR C C 175.046 0.3 1 1783 159 159 THR CA C 63.165 0.3 1 1784 159 159 THR CB C 68.909 0.3 1 1785 159 159 THR CG2 C 21.536 0.3 1 1786 159 159 THR N N 109.487 0.3 1 1787 160 160 PHE H H 7.173 0.02 1 1788 160 160 PHE HA H 4.423 0.02 1 1789 160 160 PHE HB2 H 3.117 0.02 2 1790 160 160 PHE HB3 H 2.548 0.02 2 1791 160 160 PHE HD1 H 7.449 0.02 3 1792 160 160 PHE HD2 H 7.449 0.02 3 1793 160 160 PHE HE1 H 7.475 0.02 3 1794 160 160 PHE HE2 H 7.475 0.02 3 1795 160 160 PHE HZ H 7.343 0.02 1 1796 160 160 PHE C C 174.462 0.3 1 1797 160 160 PHE CA C 58.406 0.3 1 1798 160 160 PHE CB C 40.685 0.3 1 1799 160 160 PHE CD1 C 132.569 0.3 3 1800 160 160 PHE CD2 C 132.569 0.3 3 1801 160 160 PHE CE1 C 131.394 0.3 3 1802 160 160 PHE CE2 C 131.394 0.3 3 1803 160 160 PHE CZ C 129.800 0.3 1 1804 160 160 PHE N N 119.764 0.3 1 1805 161 161 SER H H 8.669 0.02 1 1806 161 161 SER HA H 4.318 0.02 1 1807 161 161 SER HB2 H 3.816 0.02 2 1808 161 161 SER HB3 H 3.816 0.02 2 1809 161 161 SER C C 176.443 0.3 1 1810 161 161 SER CA C 56.971 0.3 1 1811 161 161 SER CB C 62.314 0.3 1 1812 161 161 SER N N 118.223 0.3 1 1813 162 162 CYS H H 8.536 0.02 1 1814 162 162 CYS HA H 5.256 0.02 1 1815 162 162 CYS HB2 H 3.946 0.02 2 1816 162 162 CYS HB3 H 2.711 0.02 2 1817 162 162 CYS C C 173.599 0.3 1 1818 162 162 CYS CA C 56.421 0.3 1 1819 162 162 CYS CB C 30.950 0.3 1 1820 162 162 CYS N N 127.017 0.3 1 1821 163 163 PRO HA H 4.396 0.02 1 1822 163 163 PRO HB2 H 1.886 0.02 2 1823 163 163 PRO HB3 H 2.160 0.02 2 1824 163 163 PRO HG2 H 2.189 0.02 2 1825 163 163 PRO HG3 H 1.987 0.02 2 1826 163 163 PRO HD2 H 4.159 0.02 2 1827 163 163 PRO HD3 H 3.930 0.02 2 1828 163 163 PRO C C 177.392 0.3 1 1829 163 163 PRO CA C 63.784 0.3 1 1830 163 163 PRO CB C 32.066 0.3 1 1831 163 163 PRO CG C 27.362 0.3 1 1832 163 163 PRO CD C 51.587 0.3 1 1833 164 164 LEU H H 9.080 0.02 1 1834 164 164 LEU HA H 5.481 0.02 1 1835 164 164 LEU HB2 H 3.208 0.02 2 1836 164 164 LEU HB3 H 2.907 0.02 2 1837 164 164 LEU HG H 1.540 0.02 1 1838 164 164 LEU C C 177.314 0.3 1 1839 164 164 LEU CA C 50.961 0.3 1 1840 164 164 LEU CB C 42.963 0.3 1 1841 164 164 LEU CG C 26.770 0.3 1 1842 164 164 LEU N N 122.206 0.3 1 1843 165 165 PRO HA H 4.410 0.02 1 1844 165 165 PRO HB2 H 2.050 0.02 2 1845 165 165 PRO HB3 H 1.935 0.02 2 1846 165 165 PRO HG2 H 2.032 0.02 2 1847 165 165 PRO HG3 H 2.087 0.02 2 1848 165 165 PRO HD2 H 4.278 0.02 2 1849 165 165 PRO HD3 H 3.956 0.02 2 1850 165 165 PRO CA C 63.000 0.3 1 1851 165 165 PRO CB C 32.000 0.3 1 1852 165 165 PRO CG C 26.655 0.3 1 1853 165 165 PRO CD C 51.882 0.3 1 1854 166 166 PRO HA H 4.606 0.02 1 1855 166 166 PRO HB2 H 2.491 0.02 2 1856 166 166 PRO HB3 H 1.713 0.02 2 1857 166 166 PRO HG2 H 2.169 0.02 2 1858 166 166 PRO HG3 H 2.074 0.02 2 1859 166 166 PRO HD2 H 3.674 0.02 2 1860 166 166 PRO HD3 H 3.605 0.02 2 1861 166 166 PRO C C 177.291 0.3 1 1862 166 166 PRO CA C 61.853 0.3 1 1863 166 166 PRO CB C 31.788 0.3 1 1864 166 166 PRO CG C 28.290 0.3 1 1865 166 166 PRO CD C 52.484 0.3 1 1866 167 167 GLU H H 8.767 0.02 1 1867 167 167 GLU HA H 2.021 0.02 1 1868 167 167 GLU HB2 H 1.425 0.02 2 1869 167 167 GLU HB3 H 1.416 0.02 2 1870 167 167 GLU HG2 H 1.623 0.02 2 1871 167 167 GLU HG3 H 1.592 0.02 2 1872 167 167 GLU C C 178.079 0.3 1 1873 167 167 GLU CA C 58.836 0.3 1 1874 167 167 GLU CB C 28.826 0.3 1 1875 167 167 GLU CG C 35.968 0.3 1 1876 167 167 GLU N N 121.460 0.3 1 1877 168 168 SER H H 7.884 0.02 1 1878 168 168 SER HA H 3.973 0.02 1 1879 168 168 SER HB2 H 3.458 0.02 2 1880 168 168 SER HB3 H 3.106 0.02 2 1881 168 168 SER C C 175.158 0.3 1 1882 168 168 SER CA C 60.259 0.3 1 1883 168 168 SER CB C 62.690 0.3 1 1884 168 168 SER N N 112.834 0.3 1 1885 169 169 ASN H H 8.160 0.02 1 1886 169 169 ASN HA H 5.222 0.02 1 1887 169 169 ASN HB2 H 4.197 0.02 2 1888 169 169 ASN HB3 H 2.722 0.02 2 1889 169 169 ASN HD21 H 7.482 0.02 2 1890 169 169 ASN HD22 H 6.930 0.02 2 1891 169 169 ASN C C 174.188 0.3 1 1892 169 169 ASN CA C 51.363 0.3 1 1893 169 169 ASN CB C 37.408 0.3 1 1894 169 169 ASN N N 121.981 0.3 1 1895 169 169 ASN ND2 N 113.117 0.3 1 1896 170 170 TRP H H 7.455 0.02 1 1897 170 170 TRP HA H 5.154 0.02 1 1898 170 170 TRP HB2 H 3.169 0.02 2 1899 170 170 TRP HB3 H 3.444 0.02 2 1900 170 170 TRP HD1 H 6.639 0.02 1 1901 170 170 TRP HE1 H 9.352 0.02 1 1902 170 170 TRP HE3 H 7.583 0.02 1 1903 170 170 TRP HZ2 H 7.444 0.02 1 1904 170 170 TRP HZ3 H 7.105 0.02 1 1905 170 170 TRP HH2 H 7.195 0.02 1 1906 170 170 TRP C C 175.593 0.3 1 1907 170 170 TRP CA C 54.992 0.3 1 1908 170 170 TRP CB C 28.105 0.3 1 1909 170 170 TRP CD1 C 124.537 0.3 1 1910 170 170 TRP CE3 C 121.081 0.3 1 1911 170 170 TRP CZ2 C 114.443 0.3 1 1912 170 170 TRP CZ3 C 122.301 0.3 1 1913 170 170 TRP CH2 C 125.341 0.3 1 1914 170 170 TRP N N 120.938 0.3 1 1915 170 170 TRP NE1 N 125.920 0.3 1 1916 171 171 LEU H H 8.906 0.02 1 1917 171 171 LEU HA H 4.592 0.02 1 1918 171 171 LEU HB2 H 2.217 0.02 2 1919 171 171 LEU HB3 H 1.170 0.02 2 1920 171 171 LEU HG H 2.068 0.02 1 1921 171 171 LEU HD1 H 0.852 0.02 1 1922 171 171 LEU HD2 H 0.984 0.02 1 1923 171 171 LEU C C 178.448 0.3 1 1924 171 171 LEU CA C 54.346 0.3 1 1925 171 171 LEU CB C 44.725 0.3 1 1926 171 171 LEU CG C 26.866 0.3 1 1927 171 171 LEU CD1 C 26.799 0.3 1 1928 171 171 LEU CD2 C 24.386 0.3 1 1929 171 171 LEU N N 125.461 0.3 1 1930 172 172 GLU H H 8.723 0.02 1 1931 172 172 GLU HA H 4.424 0.02 1 1932 172 172 GLU HB2 H 2.313 0.02 2 1933 172 172 GLU HB3 H 1.824 0.02 2 1934 172 172 GLU HG2 H 2.431 0.02 2 1935 172 172 GLU HG3 H 2.356 0.02 2 1936 172 172 GLU C C 175.343 0.3 1 1937 172 172 GLU CA C 54.882 0.3 1 1938 172 172 GLU CB C 27.969 0.3 1 1939 172 172 GLU CG C 36.259 0.3 1 1940 172 172 GLU N N 124.579 0.3 1 1941 173 173 THR H H 7.642 0.02 1 1942 173 173 THR HA H 4.556 0.02 1 1943 173 173 THR HB H 4.105 0.02 1 1944 173 173 THR HG2 H 0.806 0.02 1 1945 173 173 THR C C 172.544 0.3 1 1946 173 173 THR CA C 59.981 0.3 1 1947 173 173 THR CB C 68.138 0.3 1 1948 173 173 THR CG2 C 18.977 0.3 1 1949 173 173 THR N N 113.424 0.3 1 1950 174 174 ALA H H 8.595 0.02 1 1951 174 174 ALA HA H 4.418 0.02 1 1952 174 174 ALA HB H 1.281 0.02 1 1953 174 174 ALA C C 175.341 0.3 1 1954 174 174 ALA CA C 52.285 0.3 1 1955 174 174 ALA CB C 18.460 0.3 1 1956 174 174 ALA N N 131.118 0.3 1 1957 175 175 VAL H H 8.558 0.02 1 1958 175 175 VAL HA H 3.642 0.02 1 1959 175 175 VAL HB H 1.774 0.02 1 1960 175 175 VAL HG1 H 0.439 0.02 1 1961 175 175 VAL HG2 H 0.416 0.02 1 1962 175 175 VAL C C 174.852 0.3 1 1963 175 175 VAL CA C 61.002 0.3 1 1964 175 175 VAL CB C 30.123 0.3 1 1965 175 175 VAL CG1 C 21.260 0.3 1 1966 175 175 VAL CG2 C 20.841 0.3 1 1967 175 175 VAL N N 127.914 0.3 1 1968 176 176 THR H H 6.576 0.02 1 1969 176 176 THR HA H 2.432 0.02 1 1970 176 176 THR HB H 3.742 0.02 1 1971 176 176 THR HG2 H 0.672 0.02 1 1972 176 176 THR C C 172.475 0.3 1 1973 176 176 THR CA C 57.297 0.3 1 1974 176 176 THR CB C 65.703 0.3 1 1975 176 176 THR CG2 C 20.661 0.3 1 1976 176 176 THR N N 118.911 0.3 1 1977 177 177 ALA H H 7.119 0.02 1 1978 177 177 ALA HA H 4.316 0.02 1 1979 177 177 ALA HB H 0.571 0.02 1 1980 177 177 ALA C C 176.413 0.3 1 1981 177 177 ALA CA C 50.351 0.3 1 1982 177 177 ALA CB C 21.720 0.3 1 1983 177 177 ALA N N 121.554 0.3 1 1984 178 178 GLY H H 9.450 0.02 1 1985 178 178 GLY HA2 H 4.788 0.02 2 1986 178 178 GLY HA3 H 4.140 0.02 2 1987 178 178 GLY C C 174.146 0.3 1 1988 178 178 GLY CA C 44.919 0.3 1 1989 178 178 GLY N N 108.948 0.3 1 1990 179 179 GLU H H 8.563 0.02 1 1991 179 179 GLU HA H 4.260 0.02 1 1992 179 179 GLU HB2 H 2.040 0.02 2 1993 179 179 GLU HB3 H 2.040 0.02 2 1994 179 179 GLU HG2 H 2.310 0.02 2 1995 179 179 GLU HG3 H 2.310 0.02 2 1996 179 179 GLU C C 176.844 0.3 1 1997 179 179 GLU CA C 58.294 0.3 1 1998 179 179 GLU CB C 30.000 0.3 1 1999 179 179 GLU CG C 36.010 0.3 1 2000 179 179 GLU N N 121.178 0.3 1 2001 180 180 ARG H H 8.724 0.02 1 2002 180 180 ARG HA H 4.746 0.02 1 2003 180 180 ARG HB2 H 0.817 0.02 2 2004 180 180 ARG HB3 H 1.669 0.02 2 2005 180 180 ARG HD2 H 2.289 0.02 2 2006 180 180 ARG HD3 H 1.734 0.02 2 2007 180 180 ARG C C 174.731 0.3 1 2008 180 180 ARG CA C 53.833 0.3 1 2009 180 180 ARG CB C 33.642 0.3 1 2010 180 180 ARG CD C 43.124 0.3 1 2011 180 180 ARG N N 126.601 0.3 1 2012 181 181 THR H H 8.340 0.02 1 2013 181 181 THR HA H 4.407 0.02 1 2014 181 181 THR HB H 4.077 0.02 1 2015 181 181 THR HG2 H 1.104 0.02 1 2016 181 181 THR C C 175.074 0.3 1 2017 181 181 THR CA C 61.533 0.3 1 2018 181 181 THR CB C 69.829 0.3 1 2019 181 181 THR CG2 C 22.092 0.3 1 2020 181 181 THR N N 111.588 0.3 1 2021 182 182 ASP H H 8.930 0.02 1 2022 182 182 ASP HA H 4.545 0.02 1 2023 182 182 ASP HB2 H 2.710 0.02 2 2024 182 182 ASP HB3 H 2.814 0.02 2 2025 182 182 ASP C C 176.816 0.3 1 2026 182 182 ASP CA C 53.852 0.3 1 2027 182 182 ASP CB C 40.744 0.3 1 2028 182 182 ASP N N 123.327 0.3 1 2029 183 183 LEU H H 8.002 0.02 1 2030 183 183 LEU HA H 4.232 0.02 1 2031 183 183 LEU HB2 H 1.573 0.02 2 2032 183 183 LEU HB3 H 1.494 0.02 2 2033 183 183 LEU HG H 1.527 0.02 1 2034 183 183 LEU HD1 H 0.839 0.02 1 2035 183 183 LEU HD2 H 0.774 0.02 1 2036 183 183 LEU C C 178.058 0.3 1 2037 183 183 LEU CA C 55.376 0.3 1 2038 183 183 LEU CB C 42.090 0.3 1 2039 183 183 LEU CG C 26.900 0.3 1 2040 183 183 LEU CD1 C 25.140 0.3 1 2041 183 183 LEU CD2 C 22.975 0.3 1 2042 183 183 LEU N N 122.870 0.3 1 2043 184 184 GLU H H 8.282 0.02 1 2044 184 184 GLU HA H 4.153 0.02 1 2045 184 184 GLU HB2 H 1.847 0.02 2 2046 184 184 GLU HB3 H 1.881 0.02 2 2047 184 184 GLU HG2 H 2.113 0.02 2 2048 184 184 GLU HG3 H 2.202 0.02 2 2049 184 184 GLU C C 176.767 0.3 1 2050 184 184 GLU CA C 56.645 0.3 1 2051 184 184 GLU CB C 29.906 0.3 1 2052 184 184 GLU CG C 36.074 0.3 1 2053 184 184 GLU N N 119.642 0.3 1 2054 185 185 HIS H H 8.202 0.02 1 2055 185 185 HIS HD2 H 7.102 0.02 1 2056 185 185 HIS CD2 C 119.840 0.3 1 2057 185 185 HIS N N 118.677 0.3 1 stop_ save_