data_18215 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the uncharacterized protein from gene locus VNG_0733H of Halobacterium salinarium, Northeast Structural Genomics Consortium Target HsR50. ; _BMRB_accession_number 18215 _BMRB_flat_file_name bmr18215.str _Entry_type original _Submission_date 2012-01-24 _Accession_date 2012-01-24 _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 Lange Oliver F. . 3 Lee Hsiau-Wei . . 4 Hamilton Keith . . 5 Ciccosanti Colleen . . 6 Buchwald William A. . 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" 829 "13C chemical shifts" 704 "15N chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-03 original author . stop_ 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 VNG_0733H of Halobacterium salinarium, Northeast Structural Genomics Consortium Target HsR50.' _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 Lange Oliver F. . 3 Lee Hsiau-Wei . . 4 Hamilton Keith . . 5 Ciccosanti Colleen . . 6 Buchwald William A. . 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 HsR50 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HsR50 $HsR50 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_HsR50 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HsR50 _Molecular_mass 20753.697 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; MSPIPLPVTDTDDAWRARIA AHRADKDEFLATHDQSPIPP ADRGAFDGLRYFDIDASFRV AARYQPARDPEAVELETTRG PPAEYTRAAVLGFDLGDSHH TLTAFRVEGESSLFVPFTDE TTDDGRTYEHGRYLDVDPAG ADGGDEVALDFNLAYNPFCA YGGSFSCALPPADNHVPAAI TAGERVDADLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 PRO 4 ILE 5 PRO 6 LEU 7 PRO 8 VAL 9 THR 10 ASP 11 THR 12 ASP 13 ASP 14 ALA 15 TRP 16 ARG 17 ALA 18 ARG 19 ILE 20 ALA 21 ALA 22 HIS 23 ARG 24 ALA 25 ASP 26 LYS 27 ASP 28 GLU 29 PHE 30 LEU 31 ALA 32 THR 33 HIS 34 ASP 35 GLN 36 SER 37 PRO 38 ILE 39 PRO 40 PRO 41 ALA 42 ASP 43 ARG 44 GLY 45 ALA 46 PHE 47 ASP 48 GLY 49 LEU 50 ARG 51 TYR 52 PHE 53 ASP 54 ILE 55 ASP 56 ALA 57 SER 58 PHE 59 ARG 60 VAL 61 ALA 62 ALA 63 ARG 64 TYR 65 GLN 66 PRO 67 ALA 68 ARG 69 ASP 70 PRO 71 GLU 72 ALA 73 VAL 74 GLU 75 LEU 76 GLU 77 THR 78 THR 79 ARG 80 GLY 81 PRO 82 PRO 83 ALA 84 GLU 85 TYR 86 THR 87 ARG 88 ALA 89 ALA 90 VAL 91 LEU 92 GLY 93 PHE 94 ASP 95 LEU 96 GLY 97 ASP 98 SER 99 HIS 100 HIS 101 THR 102 LEU 103 THR 104 ALA 105 PHE 106 ARG 107 VAL 108 GLU 109 GLY 110 GLU 111 SER 112 SER 113 LEU 114 PHE 115 VAL 116 PRO 117 PHE 118 THR 119 ASP 120 GLU 121 THR 122 THR 123 ASP 124 ASP 125 GLY 126 ARG 127 THR 128 TYR 129 GLU 130 HIS 131 GLY 132 ARG 133 TYR 134 LEU 135 ASP 136 VAL 137 ASP 138 PRO 139 ALA 140 GLY 141 ALA 142 ASP 143 GLY 144 GLY 145 ASP 146 GLU 147 VAL 148 ALA 149 LEU 150 ASP 151 PHE 152 ASN 153 LEU 154 ALA 155 TYR 156 ASN 157 PRO 158 PHE 159 CYS 160 ALA 161 TYR 162 GLY 163 GLY 164 SER 165 PHE 166 SER 167 CYS 168 ALA 169 LEU 170 PRO 171 PRO 172 ALA 173 ASP 174 ASN 175 HIS 176 VAL 177 PRO 178 ALA 179 ALA 180 ILE 181 THR 182 ALA 183 GLY 184 GLU 185 ARG 186 VAL 187 ASP 188 ALA 189 ASP 190 LEU 191 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2012-03-04 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 2LOK "Solution Nmr Structure Of The Uncharacterized Protein From Gene Locus Vng_0733h Of Halobacterium Salinarium, Northeast Structur" 100.00 197 100.00 100.00 2.64e-104 PDB 4DLH "Crystal Structure Of The Protein Q9hre7 From Halobacterium Salinarium At The Resolution 1.9a, Northeast Structural Genomics Con" 100.00 197 100.00 100.00 2.64e-104 EMBL CAP13480 "conserved hypothetical protein [Halobacterium salinarum R1]" 98.95 189 100.00 100.00 3.42e-103 GB AAG19211 "hypothetical protein VNG_0733H [Halobacterium sp. NRC-1]" 98.95 189 100.00 100.00 3.42e-103 REF NP_279731 "hypothetical protein VNG0733H [Halobacterium sp. NRC-1]" 98.95 189 100.00 100.00 3.42e-103 REF YP_001688828 "hypothetical protein OE2082F [Halobacterium salinarum R1]" 98.95 189 100.00 100.00 3.42e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HsR50 'Halobacterium salinarium' 2242 Archaea . Halobacterium salinarium 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 $HsR50 'recombinant technology' . Escherichia coli . pET21_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.726 mM hsr50.005, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HsR50 0.726 mM '[U-100% 13C; U-100% 15N]' 'Proteinase Inhibitors' 1 x 'natural abundance' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 200 mM 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.726 mM hsr50.005, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HsR50 0.800 mM '[U-100% 13C; U-100% 15N; U-2H]' 'Proteinase Inhibitors' 1 x 'natural abundance' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 200 mM 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.726 mM hsr50.005, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HsR50 0.674 mM '[U-100% 13C; U-100% 15N]' 'Proteinase Inhibitors' 1 x 'natural abundance' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 200 mM 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 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_ save_PDBSTAT _Saveframe_category software _Name PDBSTAT _Version 5.5-exp loop_ _Vendor _Address _Electronic_address 'Tejero; 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 Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _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_cCH_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name cCH_NOESY _Sample_label $sample_2 save_ save_nNH_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name nNH_NOESY _Sample_label $sample_2 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HA(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CO)NH' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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 HNCO' 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 HsR50 _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 3 3 PRO CA C 62.685 0.3 1 2 3 3 PRO CB C 32.529 0.3 1 3 4 4 ILE H H 8.329 0.02 1 4 4 4 ILE HA H 4.511 0.02 1 5 4 4 ILE HB H 1.857 0.02 1 6 4 4 ILE HG12 H 1.518 0.02 2 7 4 4 ILE HG13 H 1.196 0.02 2 8 4 4 ILE HG2 H 0.957 0.02 1 9 4 4 ILE HD1 H 0.860 0.02 1 10 4 4 ILE CA C 59.176 0.3 1 11 4 4 ILE CB C 38.662 0.3 1 12 4 4 ILE CG1 C 26.968 0.3 1 13 4 4 ILE CG2 C 17.068 0.3 1 14 4 4 ILE CD1 C 12.966 0.3 1 15 4 4 ILE N N 119.033 0.3 1 16 5 5 PRO HA H 4.408 0.02 1 17 5 5 PRO HB2 H 2.266 0.02 2 18 5 5 PRO HB3 H 1.861 0.02 2 19 5 5 PRO HG2 H 1.987 0.02 2 20 5 5 PRO HG3 H 1.989 0.02 2 21 5 5 PRO HD2 H 3.887 0.02 2 22 5 5 PRO HD3 H 3.682 0.02 2 23 5 5 PRO CA C 62.972 0.3 1 24 5 5 PRO CB C 32.001 0.3 1 25 5 5 PRO CG C 27.465 0.3 1 26 5 5 PRO CD C 51.181 0.3 1 27 6 6 LEU H H 8.300 0.02 1 28 6 6 LEU HA H 4.564 0.02 1 29 6 6 LEU HB2 H 1.562 0.02 2 30 6 6 LEU HB3 H 1.562 0.02 2 31 6 6 LEU HG H 1.697 0.02 1 32 6 6 LEU HD1 H 0.920 0.02 2 33 6 6 LEU HD2 H 0.875 0.02 2 34 6 6 LEU CA C 53.069 0.3 1 35 6 6 LEU CB C 41.681 0.3 1 36 6 6 LEU CG C 27.023 0.3 1 37 6 6 LEU CD1 C 25.274 0.3 2 38 6 6 LEU CD2 C 23.290 0.3 2 39 6 6 LEU N N 123.810 0.3 1 40 7 7 PRO HA H 4.458 0.02 1 41 7 7 PRO HB2 H 2.280 0.02 2 42 7 7 PRO HB3 H 2.078 0.02 2 43 7 7 PRO HG2 H 2.032 0.02 2 44 7 7 PRO HG3 H 2.032 0.02 2 45 7 7 PRO HD2 H 3.850 0.02 2 46 7 7 PRO HD3 H 3.637 0.02 2 47 7 7 PRO C C 177.047 0.3 1 48 7 7 PRO CA C 63.031 0.3 1 49 7 7 PRO CB C 32.032 0.3 1 50 7 7 PRO CG C 27.494 0.3 1 51 7 7 PRO CD C 50.638 0.3 1 52 8 8 VAL H H 8.307 0.02 1 53 8 8 VAL HA H 4.144 0.02 1 54 8 8 VAL HB H 2.111 0.02 1 55 8 8 VAL HG1 H 0.970 0.02 2 56 8 8 VAL HG2 H 0.953 0.02 2 57 8 8 VAL C C 176.614 0.3 1 58 8 8 VAL CA C 62.835 0.3 1 59 8 8 VAL CB C 32.477 0.3 1 60 8 8 VAL CG1 C 20.500 0.3 2 61 8 8 VAL CG2 C 21.220 0.3 2 62 8 8 VAL N N 120.249 0.3 1 63 9 9 THR H H 8.118 0.02 1 64 9 9 THR HA H 4.361 0.02 1 65 9 9 THR HB H 4.265 0.02 1 66 9 9 THR HG2 H 1.194 0.02 1 67 9 9 THR C C 174.164 0.3 1 68 9 9 THR CA C 61.708 0.3 1 69 9 9 THR CB C 69.916 0.3 1 70 9 9 THR CG2 C 21.701 0.3 1 71 9 9 THR N N 116.288 0.3 1 72 10 10 ASP H H 8.353 0.02 1 73 10 10 ASP HA H 4.779 0.02 1 74 10 10 ASP HB2 H 2.657 0.02 2 75 10 10 ASP HB3 H 2.657 0.02 2 76 10 10 ASP C C 176.515 0.3 1 77 10 10 ASP CA C 54.163 0.3 1 78 10 10 ASP CB C 41.793 0.3 1 79 10 10 ASP N N 123.254 0.3 1 80 11 11 THR H H 8.046 0.02 1 81 11 11 THR HA H 4.367 0.02 1 82 11 11 THR HB H 4.381 0.02 1 83 11 11 THR HG2 H 1.099 0.02 1 84 11 11 THR C C 175.150 0.3 1 85 11 11 THR CA C 61.316 0.3 1 86 11 11 THR CB C 70.345 0.3 1 87 11 11 THR CG2 C 21.704 0.3 1 88 11 11 THR N N 112.607 0.3 1 89 12 12 ASP H H 8.599 0.02 1 90 12 12 ASP HA H 4.803 0.02 1 91 12 12 ASP HB2 H 2.892 0.02 2 92 12 12 ASP HB3 H 2.892 0.02 2 93 12 12 ASP C C 177.520 0.3 1 94 12 12 ASP CA C 56.268 0.3 1 95 12 12 ASP CB C 41.281 0.3 1 96 12 12 ASP N N 122.700 0.3 1 97 13 13 ASP H H 8.439 0.02 1 98 13 13 ASP HA H 4.456 0.02 1 99 13 13 ASP HB2 H 2.699 0.02 2 100 13 13 ASP HB3 H 2.699 0.02 2 101 13 13 ASP C C 178.438 0.3 1 102 13 13 ASP CA C 57.281 0.3 1 103 13 13 ASP CB C 40.681 0.3 1 104 13 13 ASP N N 119.345 0.3 1 105 14 14 ALA H H 8.202 0.02 1 106 14 14 ALA HA H 4.194 0.02 1 107 14 14 ALA HB H 1.556 0.02 1 108 14 14 ALA C C 180.130 0.3 1 109 14 14 ALA CA C 55.222 0.3 1 110 14 14 ALA CB C 18.061 0.3 1 111 14 14 ALA N N 123.984 0.3 1 112 15 15 TRP H H 8.276 0.02 1 113 15 15 TRP HA H 4.248 0.02 1 114 15 15 TRP HB2 H 3.615 0.02 2 115 15 15 TRP HB3 H 3.423 0.02 2 116 15 15 TRP HD1 H 7.252 0.02 1 117 15 15 TRP HE1 H 10.747 0.02 1 118 15 15 TRP HZ2 H 7.656 0.02 1 119 15 15 TRP HH2 H 6.646 0.02 1 120 15 15 TRP CA C 61.265 0.3 1 121 15 15 TRP CB C 27.661 0.3 1 122 15 15 TRP CD1 C 126.224 0.3 1 123 15 15 TRP CZ2 C 114.120 0.3 1 124 15 15 TRP CH2 C 123.220 0.3 1 125 15 15 TRP N N 122.338 0.3 1 126 15 15 TRP NE1 N 132.602 0.3 1 127 16 16 ARG HA H 2.949 0.02 1 128 16 16 ARG HB2 H 1.345 0.02 2 129 16 16 ARG HB3 H 1.345 0.02 2 130 16 16 ARG C C 178.788 0.3 1 131 16 16 ARG CA C 60.042 0.3 1 132 16 16 ARG CB C 29.924 0.3 1 133 16 16 ARG CG C 28.695 0.3 1 134 16 16 ARG CD C 43.285 0.3 1 135 17 17 ALA H H 7.912 0.02 1 136 17 17 ALA HA H 4.064 0.02 1 137 17 17 ALA HB H 1.493 0.02 1 138 17 17 ALA C C 180.768 0.3 1 139 17 17 ALA CA C 54.829 0.3 1 140 17 17 ALA CB C 17.848 0.3 1 141 17 17 ALA N N 120.098 0.3 1 142 18 18 ARG H H 8.049 0.02 1 143 18 18 ARG HA H 4.123 0.02 1 144 18 18 ARG HB2 H 2.088 0.02 2 145 18 18 ARG HB3 H 1.922 0.02 2 146 18 18 ARG HG2 H 1.884 0.02 2 147 18 18 ARG HG3 H 1.542 0.02 2 148 18 18 ARG C C 179.990 0.3 1 149 18 18 ARG CA C 59.621 0.3 1 150 18 18 ARG CB C 30.105 0.3 1 151 18 18 ARG CG C 27.922 0.3 1 152 18 18 ARG CD C 43.732 0.3 1 153 18 18 ARG N N 120.957 0.3 1 154 19 19 ILE H H 7.821 0.02 1 155 19 19 ILE HA H 3.523 0.02 1 156 19 19 ILE HB H 1.539 0.02 1 157 19 19 ILE HG12 H 0.783 0.02 2 158 19 19 ILE HG13 H 0.758 0.02 2 159 19 19 ILE HG2 H 0.516 0.02 1 160 19 19 ILE HD1 H 0.324 0.02 1 161 19 19 ILE C C 177.957 0.3 1 162 19 19 ILE CA C 64.151 0.3 1 163 19 19 ILE CB C 35.763 0.3 1 164 19 19 ILE CG1 C 27.312 0.3 1 165 19 19 ILE CG2 C 17.516 0.3 1 166 19 19 ILE CD1 C 10.898 0.3 1 167 19 19 ILE N N 121.419 0.3 1 168 20 20 ALA H H 8.101 0.02 1 169 20 20 ALA HA H 3.859 0.02 1 170 20 20 ALA HB H 1.379 0.02 1 171 20 20 ALA C C 180.844 0.3 1 172 20 20 ALA CA C 55.618 0.3 1 173 20 20 ALA CB C 17.725 0.3 1 174 20 20 ALA N N 122.181 0.3 1 175 21 21 ALA H H 8.223 0.02 1 176 21 21 ALA HA H 4.189 0.02 1 177 21 21 ALA HB H 1.500 0.02 1 178 21 21 ALA C C 179.115 0.3 1 179 21 21 ALA CA C 55.261 0.3 1 180 21 21 ALA CB C 18.031 0.3 1 181 21 21 ALA N N 121.543 0.3 1 182 22 22 HIS H H 8.026 0.02 1 183 22 22 HIS HA H 4.383 0.02 1 184 22 22 HIS HB2 H 3.447 0.02 2 185 22 22 HIS HB3 H 3.201 0.02 2 186 22 22 HIS C C 177.956 0.3 1 187 22 22 HIS CA C 59.472 0.3 1 188 22 22 HIS CB C 29.727 0.3 1 189 22 22 HIS N N 119.217 0.3 1 190 23 23 ARG H H 8.237 0.02 1 191 23 23 ARG HA H 3.583 0.02 1 192 23 23 ARG C C 179.361 0.3 1 193 23 23 ARG CA C 60.182 0.3 1 194 23 23 ARG CB C 29.444 0.3 1 195 23 23 ARG N N 118.082 0.3 1 196 24 24 ALA H H 8.091 0.02 1 197 24 24 ALA HA H 4.322 0.02 1 198 24 24 ALA HB H 1.536 0.02 1 199 24 24 ALA C C 180.624 0.3 1 200 24 24 ALA CA C 55.429 0.3 1 201 24 24 ALA CB C 17.872 0.3 1 202 24 24 ALA N N 124.096 0.3 1 203 25 25 ASP H H 8.753 0.02 1 204 25 25 ASP HA H 4.382 0.02 1 205 25 25 ASP HB2 H 2.797 0.02 2 206 25 25 ASP HB3 H 2.617 0.02 2 207 25 25 ASP C C 179.152 0.3 1 208 25 25 ASP CA C 57.249 0.3 1 209 25 25 ASP CB C 40.213 0.3 1 210 25 25 ASP N N 121.203 0.3 1 211 26 26 LYS H H 8.214 0.02 1 212 26 26 LYS HA H 4.190 0.02 1 213 26 26 LYS CA C 59.658 0.3 1 214 26 26 LYS CB C 31.867 0.3 1 215 26 26 LYS N N 122.754 0.3 1 216 27 27 ASP H H 7.755 0.02 1 217 27 27 ASP HA H 4.750 0.02 1 218 27 27 ASP HB2 H 2.953 0.02 2 219 27 27 ASP HB3 H 2.806 0.02 2 220 27 27 ASP CA C 58.184 0.3 1 221 27 27 ASP CB C 40.216 0.3 1 222 27 27 ASP N N 120.344 0.3 1 223 28 28 GLU H H 7.752 0.02 1 224 28 28 GLU HA H 4.204 0.02 1 225 28 28 GLU HB2 H 2.200 0.02 2 226 28 28 GLU HB3 H 2.187 0.02 2 227 28 28 GLU HG2 H 2.341 0.02 2 228 28 28 GLU HG3 H 2.246 0.02 2 229 28 28 GLU C C 179.588 0.3 1 230 28 28 GLU CA C 59.652 0.3 1 231 28 28 GLU CB C 29.372 0.3 1 232 28 28 GLU CG C 36.007 0.3 1 233 28 28 GLU N N 119.990 0.3 1 234 29 29 PHE H H 8.276 0.02 1 235 29 29 PHE HA H 4.300 0.02 1 236 29 29 PHE HB2 H 3.303 0.02 2 237 29 29 PHE HB3 H 3.303 0.02 2 238 29 29 PHE HD1 H 7.029 0.02 3 239 29 29 PHE HD2 H 7.029 0.02 3 240 29 29 PHE HE1 H 6.642 0.02 3 241 29 29 PHE HE2 H 6.642 0.02 3 242 29 29 PHE HZ H 6.898 0.02 1 243 29 29 PHE C C 177.010 0.3 1 244 29 29 PHE CA C 60.675 0.3 1 245 29 29 PHE CB C 38.861 0.3 1 246 29 29 PHE CD1 C 132.268 0.3 3 247 29 29 PHE CD2 C 132.268 0.3 3 248 29 29 PHE CE1 C 130.466 0.3 3 249 29 29 PHE CE2 C 130.466 0.3 3 250 29 29 PHE CZ C 129.208 0.3 1 251 29 29 PHE N N 123.757 0.3 1 252 30 30 LEU H H 8.609 0.02 1 253 30 30 LEU HA H 3.551 0.02 1 254 30 30 LEU HB2 H 1.673 0.02 2 255 30 30 LEU HB3 H 0.527 0.02 2 256 30 30 LEU HG H 1.777 0.02 1 257 30 30 LEU HD1 H 0.804 0.02 2 258 30 30 LEU HD2 H 0.469 0.02 2 259 30 30 LEU C C 179.251 0.3 1 260 30 30 LEU CA C 56.242 0.3 1 261 30 30 LEU CB C 40.936 0.3 1 262 30 30 LEU CG C 28.239 0.3 1 263 30 30 LEU CD1 C 26.675 0.3 2 264 30 30 LEU CD2 C 24.139 0.3 2 265 30 30 LEU N N 119.017 0.3 1 266 31 31 ALA H H 7.887 0.02 1 267 31 31 ALA HA H 3.958 0.02 1 268 31 31 ALA HB H 1.709 0.02 1 269 31 31 ALA C C 179.284 0.3 1 270 31 31 ALA CA C 54.082 0.3 1 271 31 31 ALA CB C 20.712 0.3 1 272 31 31 ALA N N 115.904 0.3 1 273 32 32 THR H H 7.560 0.02 1 274 32 32 THR HA H 4.596 0.02 1 275 32 32 THR HB H 4.214 0.02 1 276 32 32 THR HG2 H 1.244 0.02 1 277 32 32 THR C C 174.812 0.3 1 278 32 32 THR CA C 62.230 0.3 1 279 32 32 THR CB C 73.146 0.3 1 280 32 32 THR CG2 C 21.514 0.3 1 281 32 32 THR N N 103.075 0.3 1 282 33 33 HIS H H 8.432 0.02 1 283 33 33 HIS HA H 4.214 0.02 1 284 33 33 HIS HB2 H 2.840 0.02 2 285 33 33 HIS HB3 H 2.099 0.02 2 286 33 33 HIS C C 176.738 0.3 1 287 33 33 HIS CA C 59.293 0.3 1 288 33 33 HIS CB C 33.111 0.3 1 289 33 33 HIS N N 127.037 0.3 1 290 34 34 ASP H H 8.313 0.02 1 291 34 34 ASP HA H 4.321 0.02 1 292 34 34 ASP HB2 H 2.596 0.02 2 293 34 34 ASP HB3 H 2.533 0.02 2 294 34 34 ASP C C 178.598 0.3 1 295 34 34 ASP CA C 57.410 0.3 1 296 34 34 ASP CB C 41.132 0.3 1 297 34 34 ASP N N 126.340 0.3 1 298 35 35 GLN HA H 4.464 0.02 1 299 35 35 GLN HB2 H 2.573 0.02 2 300 35 35 GLN HB3 H 2.171 0.02 2 301 35 35 GLN HG2 H 2.558 0.02 2 302 35 35 GLN HG3 H 2.558 0.02 2 303 35 35 GLN HE21 H 7.715 0.02 2 304 35 35 GLN HE22 H 6.949 0.02 2 305 35 35 GLN C C 175.601 0.3 1 306 35 35 GLN CA C 54.958 0.3 1 307 35 35 GLN CB C 27.793 0.3 1 308 35 35 GLN CG C 34.538 0.3 1 309 35 35 GLN NE2 N 113.288 0.3 1 310 36 36 SER H H 7.482 0.02 1 311 36 36 SER HA H 3.921 0.02 1 312 36 36 SER HB2 H 4.000 0.02 2 313 36 36 SER HB3 H 3.552 0.02 2 314 36 36 SER CA C 54.851 0.3 1 315 36 36 SER CB C 63.222 0.3 1 316 36 36 SER N N 115.808 0.3 1 317 37 37 PRO HA H 4.543 0.02 1 318 37 37 PRO C C 177.317 0.3 1 319 37 37 PRO CA C 62.886 0.3 1 320 37 37 PRO CB C 32.567 0.3 1 321 38 38 ILE H H 8.102 0.02 1 322 38 38 ILE HA H 4.093 0.02 1 323 38 38 ILE HB H 1.538 0.02 1 324 38 38 ILE HG12 H 0.786 0.02 2 325 38 38 ILE HG13 H 0.373 0.02 2 326 38 38 ILE HG2 H 0.743 0.02 1 327 38 38 ILE HD1 H 0.038 0.02 1 328 38 38 ILE C C 173.487 0.3 1 329 38 38 ILE CA C 57.856 0.3 1 330 38 38 ILE CB C 36.135 0.3 1 331 38 38 ILE CG1 C 27.238 0.3 1 332 38 38 ILE CG2 C 16.254 0.3 1 333 38 38 ILE CD1 C 10.217 0.3 1 334 38 38 ILE N N 125.636 0.3 1 335 40 40 PRO HA H 3.775 0.02 1 336 40 40 PRO HB2 H 2.336 0.02 2 337 40 40 PRO HB3 H 1.969 0.02 2 338 40 40 PRO HG2 H 1.979 0.02 2 339 40 40 PRO HG3 H 1.979 0.02 2 340 40 40 PRO C C 178.847 0.3 1 341 40 40 PRO CA C 66.475 0.3 1 342 40 40 PRO CB C 32.072 0.3 1 343 40 40 PRO CG C 27.459 0.3 1 344 41 41 ALA H H 8.682 0.02 1 345 41 41 ALA HA H 4.165 0.02 1 346 41 41 ALA HB H 1.399 0.02 1 347 41 41 ALA C C 178.257 0.3 1 348 41 41 ALA CA C 54.568 0.3 1 349 41 41 ALA CB C 18.588 0.3 1 350 41 41 ALA N N 117.871 0.3 1 351 42 42 ASP H H 8.066 0.02 1 352 42 42 ASP HA H 4.870 0.02 1 353 42 42 ASP HB2 H 2.859 0.02 2 354 42 42 ASP HB3 H 2.859 0.02 2 355 42 42 ASP C C 177.851 0.3 1 356 42 42 ASP CA C 54.481 0.3 1 357 42 42 ASP CB C 42.253 0.3 1 358 42 42 ASP N N 115.757 0.3 1 359 43 43 ARG H H 7.435 0.02 1 360 43 43 ARG HA H 3.724 0.02 1 361 43 43 ARG HB2 H 2.126 0.02 2 362 43 43 ARG HB3 H 1.699 0.02 2 363 43 43 ARG C C 178.185 0.3 1 364 43 43 ARG CA C 60.724 0.3 1 365 43 43 ARG CB C 30.170 0.3 1 366 43 43 ARG CG C 28.226 0.3 1 367 43 43 ARG N N 121.452 0.3 1 368 44 44 GLY H H 8.672 0.02 1 369 44 44 GLY HA2 H 3.916 0.02 2 370 44 44 GLY HA3 H 3.812 0.02 2 371 44 44 GLY C C 174.569 0.3 1 372 44 44 GLY CA C 46.848 0.3 1 373 44 44 GLY N N 107.085 0.3 1 374 45 45 ALA H H 7.435 0.02 1 375 45 45 ALA HA H 4.476 0.02 1 376 45 45 ALA HB H 1.377 0.02 1 377 45 45 ALA C C 177.053 0.3 1 378 45 45 ALA CA C 51.047 0.3 1 379 45 45 ALA CB C 19.236 0.3 1 380 45 45 ALA N N 120.999 0.3 1 381 46 46 PHE H H 7.382 0.02 1 382 46 46 PHE HA H 4.359 0.02 1 383 46 46 PHE HB2 H 3.157 0.02 2 384 46 46 PHE HB3 H 3.131 0.02 2 385 46 46 PHE HD1 H 7.213 0.02 3 386 46 46 PHE HD2 H 7.213 0.02 3 387 46 46 PHE HE1 H 7.523 0.02 3 388 46 46 PHE HE2 H 7.523 0.02 3 389 46 46 PHE C C 175.332 0.3 1 390 46 46 PHE CA C 59.479 0.3 1 391 46 46 PHE CB C 39.511 0.3 1 392 46 46 PHE CD1 C 131.946 0.3 3 393 46 46 PHE CD2 C 131.946 0.3 3 394 46 46 PHE CE1 C 131.868 0.3 3 395 46 46 PHE CE2 C 131.868 0.3 3 396 46 46 PHE N N 121.528 0.3 1 397 47 47 ASP H H 8.272 0.02 1 398 47 47 ASP HA H 4.604 0.02 1 399 47 47 ASP HB2 H 2.597 0.02 2 400 47 47 ASP HB3 H 2.421 0.02 2 401 47 47 ASP CA C 52.623 0.3 1 402 47 47 ASP CB C 41.384 0.3 1 403 47 47 ASP N N 128.207 0.3 1 404 48 48 GLY H H 4.424 0.02 1 405 48 48 GLY HA2 H 4.148 0.02 2 406 48 48 GLY HA3 H 3.042 0.02 2 407 48 48 GLY C C 173.434 0.3 1 408 48 48 GLY CA C 43.991 0.3 1 409 48 48 GLY N N 104.355 0.3 1 410 49 49 LEU H H 9.215 0.02 1 411 49 49 LEU HA H 4.345 0.02 1 412 49 49 LEU HD1 H 0.849 0.02 2 413 49 49 LEU HD2 H 1.036 0.02 2 414 49 49 LEU C C 176.485 0.3 1 415 49 49 LEU CA C 54.338 0.3 1 416 49 49 LEU CB C 41.668 0.3 1 417 49 49 LEU CD1 C 22.507 0.3 2 418 49 49 LEU CD2 C 25.552 0.3 2 419 49 49 LEU N N 121.000 0.3 1 420 50 50 ARG H H 8.287 0.02 1 421 50 50 ARG HA H 4.511 0.02 1 422 50 50 ARG HB2 H 1.443 0.02 2 423 50 50 ARG HB3 H 1.261 0.02 2 424 50 50 ARG HG2 H 1.476 0.02 2 425 50 50 ARG HG3 H 1.476 0.02 2 426 50 50 ARG HD2 H 2.988 0.02 2 427 50 50 ARG HD3 H 2.988 0.02 2 428 50 50 ARG C C 174.869 0.3 1 429 50 50 ARG CA C 53.599 0.3 1 430 50 50 ARG CB C 31.609 0.3 1 431 50 50 ARG CG C 27.078 0.3 1 432 50 50 ARG CD C 42.682 0.3 1 433 50 50 ARG N N 118.990 0.3 1 434 51 51 TYR H H 8.620 0.02 1 435 51 51 TYR HA H 4.880 0.02 1 436 51 51 TYR HB2 H 3.279 0.02 2 437 51 51 TYR HB3 H 2.400 0.02 2 438 51 51 TYR HD1 H 6.869 0.02 3 439 51 51 TYR HD2 H 6.869 0.02 3 440 51 51 TYR C C 178.440 0.3 1 441 51 51 TYR CA C 58.115 0.3 1 442 51 51 TYR CB C 44.607 0.3 1 443 51 51 TYR N N 117.966 0.3 1 444 52 52 PHE HA H 4.704 0.02 1 445 52 52 PHE HB2 H 3.024 0.02 2 446 52 52 PHE HB3 H 2.636 0.02 2 447 52 52 PHE HE1 H 7.174 0.02 3 448 52 52 PHE HE2 H 7.179 0.02 3 449 52 52 PHE HZ H 6.817 0.02 1 450 52 52 PHE C C 176.370 0.3 1 451 52 52 PHE CA C 59.004 0.3 1 452 52 52 PHE CB C 40.735 0.3 1 453 52 52 PHE CE1 C 131.871 0.3 3 454 52 52 PHE CE2 C 131.871 0.3 3 455 52 52 PHE CZ C 127.774 0.3 1 456 53 53 ASP H H 9.049 0.02 1 457 53 53 ASP HA H 4.564 0.02 1 458 53 53 ASP HB2 H 2.800 0.02 2 459 53 53 ASP HB3 H 2.673 0.02 2 460 53 53 ASP C C 177.971 0.3 1 461 53 53 ASP CA C 54.966 0.3 1 462 53 53 ASP CB C 40.642 0.3 1 463 53 53 ASP N N 122.164 0.3 1 464 54 54 ILE H H 8.953 0.02 1 465 54 54 ILE HA H 3.740 0.02 1 466 54 54 ILE HB H 1.587 0.02 1 467 54 54 ILE HG12 H 1.782 0.02 2 468 54 54 ILE HG13 H 0.577 0.02 2 469 54 54 ILE HG2 H 0.472 0.02 1 470 54 54 ILE HD1 H 0.663 0.02 1 471 54 54 ILE C C 176.012 0.3 1 472 54 54 ILE CA C 64.161 0.3 1 473 54 54 ILE CB C 37.852 0.3 1 474 54 54 ILE CG1 C 29.343 0.3 1 475 54 54 ILE CG2 C 19.649 0.3 1 476 54 54 ILE CD1 C 13.945 0.3 1 477 54 54 ILE N N 125.143 0.3 1 478 55 55 ASP H H 8.825 0.02 1 479 55 55 ASP HA H 5.223 0.02 1 480 55 55 ASP HB2 H 3.170 0.02 2 481 55 55 ASP HB3 H 2.803 0.02 2 482 55 55 ASP C C 177.975 0.3 1 483 55 55 ASP CA C 53.720 0.3 1 484 55 55 ASP CB C 43.591 0.3 1 485 55 55 ASP N N 127.687 0.3 1 486 56 56 ALA H H 9.803 0.02 1 487 56 56 ALA HA H 4.009 0.02 1 488 56 56 ALA HB H 1.401 0.02 1 489 56 56 ALA C C 178.612 0.3 1 490 56 56 ALA CA C 55.180 0.3 1 491 56 56 ALA CB C 18.304 0.3 1 492 56 56 ALA N N 133.072 0.3 1 493 57 57 SER H H 9.198 0.02 1 494 57 57 SER HA H 4.134 0.02 1 495 57 57 SER HB2 H 3.626 0.02 2 496 57 57 SER HB3 H 3.557 0.02 2 497 57 57 SER C C 174.434 0.3 1 498 57 57 SER CA C 61.033 0.3 1 499 57 57 SER CB C 62.414 0.3 1 500 57 57 SER N N 114.983 0.3 1 501 58 58 PHE H H 7.359 0.02 1 502 58 58 PHE HA H 4.515 0.02 1 503 58 58 PHE HB2 H 3.596 0.02 2 504 58 58 PHE HB3 H 3.596 0.02 2 505 58 58 PHE HD1 H 6.900 0.02 3 506 58 58 PHE HD2 H 6.900 0.02 3 507 58 58 PHE HE1 H 7.149 0.02 3 508 58 58 PHE HE2 H 7.149 0.02 3 509 58 58 PHE C C 172.714 0.3 1 510 58 58 PHE CA C 58.888 0.3 1 511 58 58 PHE CB C 40.136 0.3 1 512 58 58 PHE CD1 C 131.301 0.3 3 513 58 58 PHE CD2 C 131.301 0.3 3 514 58 58 PHE CE1 C 131.394 0.3 3 515 58 58 PHE CE2 C 131.394 0.3 3 516 58 58 PHE N N 115.229 0.3 1 517 59 59 ARG H H 7.390 0.02 1 518 59 59 ARG HA H 4.990 0.02 1 519 59 59 ARG HB2 H 1.832 0.02 2 520 59 59 ARG HB3 H 1.340 0.02 2 521 59 59 ARG C C 174.668 0.3 1 522 59 59 ARG CA C 55.793 0.3 1 523 59 59 ARG CB C 29.956 0.3 1 524 59 59 ARG N N 123.364 0.3 1 525 60 60 VAL H H 8.457 0.02 1 526 60 60 VAL HA H 4.673 0.02 1 527 60 60 VAL HB H 2.412 0.02 1 528 60 60 VAL HG1 H 1.005 0.02 2 529 60 60 VAL HG2 H 0.851 0.02 2 530 60 60 VAL C C 174.124 0.3 1 531 60 60 VAL CA C 59.306 0.3 1 532 60 60 VAL CB C 34.999 0.3 1 533 60 60 VAL CG1 C 22.069 0.3 2 534 60 60 VAL CG2 C 19.566 0.3 2 535 60 60 VAL N N 119.878 0.3 1 536 61 61 ALA H H 8.541 0.02 1 537 61 61 ALA HA H 4.572 0.02 1 538 61 61 ALA HB H 1.252 0.02 1 539 61 61 ALA C C 176.294 0.3 1 540 61 61 ALA CA C 51.196 0.3 1 541 61 61 ALA CB C 19.350 0.3 1 542 61 61 ALA N N 125.664 0.3 1 543 62 62 ALA H H 9.130 0.02 1 544 62 62 ALA HA H 5.358 0.02 1 545 62 62 ALA HB H 1.176 0.02 1 546 62 62 ALA C C 176.315 0.3 1 547 62 62 ALA CA C 49.566 0.3 1 548 62 62 ALA CB C 22.602 0.3 1 549 62 62 ALA N N 125.942 0.3 1 550 63 63 ARG H H 9.630 0.02 1 551 63 63 ARG HA H 4.558 0.02 1 552 63 63 ARG HB2 H 1.917 0.02 2 553 63 63 ARG HB3 H 1.836 0.02 2 554 63 63 ARG C C 175.873 0.3 1 555 63 63 ARG CA C 55.903 0.3 1 556 63 63 ARG CB C 30.246 0.3 1 557 63 63 ARG N N 122.522 0.3 1 558 64 64 TYR H H 8.917 0.02 1 559 64 64 TYR HA H 4.618 0.02 1 560 64 64 TYR HB2 H 3.038 0.02 2 561 64 64 TYR HB3 H 2.654 0.02 2 562 64 64 TYR HD1 H 6.715 0.02 3 563 64 64 TYR HD2 H 6.715 0.02 3 564 64 64 TYR HE1 H 6.457 0.02 3 565 64 64 TYR HE2 H 6.457 0.02 3 566 64 64 TYR C C 174.119 0.3 1 567 64 64 TYR CA C 57.222 0.3 1 568 64 64 TYR CB C 40.384 0.3 1 569 64 64 TYR CD1 C 132.500 0.3 3 570 64 64 TYR CD2 C 132.500 0.3 3 571 64 64 TYR CE1 C 117.660 0.3 3 572 64 64 TYR CE2 C 117.699 0.3 3 573 64 64 TYR N N 129.069 0.3 1 574 65 65 GLN H H 8.195 0.02 1 575 65 65 GLN HA H 4.917 0.02 1 576 65 65 GLN HB2 H 1.976 0.02 2 577 65 65 GLN HB3 H 1.976 0.02 2 578 65 65 GLN HG2 H 2.166 0.02 2 579 65 65 GLN HG3 H 2.166 0.02 2 580 65 65 GLN HE21 H 7.300 0.02 2 581 65 65 GLN HE22 H 6.887 0.02 2 582 65 65 GLN C C 181.642 0.3 1 583 65 65 GLN CA C 51.794 0.3 1 584 65 65 GLN CB C 29.713 0.3 1 585 65 65 GLN CG C 33.365 0.3 1 586 65 65 GLN N N 126.597 0.3 1 587 65 65 GLN NE2 N 110.870 0.3 1 588 66 66 PRO HA H 4.248 0.02 1 589 66 66 PRO C C 175.965 0.3 1 590 66 66 PRO CA C 62.296 0.3 1 591 66 66 PRO CB C 31.880 0.3 1 592 66 66 PRO CG C 26.768 0.3 1 593 67 67 ALA H H 7.958 0.02 1 594 67 67 ALA HA H 4.220 0.02 1 595 67 67 ALA HB H 1.103 0.02 1 596 67 67 ALA C C 177.389 0.3 1 597 67 67 ALA CA C 51.758 0.3 1 598 67 67 ALA CB C 18.481 0.3 1 599 67 67 ALA N N 125.692 0.3 1 600 68 68 ARG H H 8.623 0.02 1 601 68 68 ARG HA H 4.095 0.02 1 602 68 68 ARG C C 175.871 0.3 1 603 68 68 ARG CA C 57.802 0.3 1 604 68 68 ARG CB C 30.103 0.3 1 605 68 68 ARG N N 124.385 0.3 1 606 69 69 ASP H H 8.129 0.02 1 607 69 69 ASP HA H 5.046 0.02 1 608 69 69 ASP HB2 H 2.471 0.02 2 609 69 69 ASP HB3 H 2.659 0.02 2 610 69 69 ASP C C 175.887 0.3 1 611 69 69 ASP CA C 51.555 0.3 1 612 69 69 ASP CB C 41.623 0.3 1 613 69 69 ASP N N 117.818 0.3 1 614 70 70 PRO HA H 4.444 0.02 1 615 70 70 PRO HB2 H 2.207 0.02 2 616 70 70 PRO HB3 H 1.986 0.02 2 617 70 70 PRO HG2 H 2.039 0.02 2 618 70 70 PRO HG3 H 2.120 0.02 2 619 70 70 PRO HD2 H 3.747 0.02 2 620 70 70 PRO HD3 H 3.668 0.02 2 621 70 70 PRO C C 176.236 0.3 1 622 70 70 PRO CA C 63.477 0.3 1 623 70 70 PRO CB C 31.887 0.3 1 624 70 70 PRO CG C 27.472 0.3 1 625 70 70 PRO CD C 50.665 0.3 1 626 71 71 GLU H H 7.969 0.02 1 627 71 71 GLU HA H 4.533 0.02 1 628 71 71 GLU HB2 H 2.042 0.02 2 629 71 71 GLU HB3 H 1.989 0.02 2 630 71 71 GLU HG2 H 2.311 0.02 2 631 71 71 GLU HG3 H 2.289 0.02 2 632 71 71 GLU C C 174.767 0.3 1 633 71 71 GLU CA C 55.402 0.3 1 634 71 71 GLU CB C 32.650 0.3 1 635 71 71 GLU CG C 36.105 0.3 1 636 71 71 GLU N N 123.478 0.3 1 637 72 72 ALA H H 8.656 0.02 1 638 72 72 ALA HA H 4.845 0.02 1 639 72 72 ALA HB H 1.364 0.02 1 640 72 72 ALA C C 177.335 0.3 1 641 72 72 ALA CA C 52.378 0.3 1 642 72 72 ALA CB C 19.270 0.3 1 643 72 72 ALA N N 126.916 0.3 1 644 73 73 VAL H H 9.245 0.02 1 645 73 73 VAL HA H 4.547 0.02 1 646 73 73 VAL HB H 2.212 0.02 1 647 73 73 VAL HG1 H 1.078 0.02 2 648 73 73 VAL HG2 H 1.043 0.02 2 649 73 73 VAL C C 174.125 0.3 1 650 73 73 VAL CA C 60.351 0.3 1 651 73 73 VAL CB C 35.499 0.3 1 652 73 73 VAL CG1 C 20.703 0.3 2 653 73 73 VAL CG2 C 21.405 0.3 2 654 73 73 VAL N N 121.131 0.3 1 655 74 74 GLU H H 8.494 0.02 1 656 74 74 GLU C C 176.260 0.3 1 657 74 74 GLU CA C 55.200 0.3 1 658 74 74 GLU CB C 31.113 0.3 1 659 74 74 GLU N N 122.539 0.3 1 660 75 75 LEU H H 9.143 0.02 1 661 75 75 LEU HD1 H 0.581 0.02 2 662 75 75 LEU HD2 H -0.088 0.02 2 663 75 75 LEU C C 176.559 0.3 1 664 75 75 LEU CA C 53.718 0.3 1 665 75 75 LEU CB C 42.304 0.3 1 666 75 75 LEU CD1 C 22.716 0.3 2 667 75 75 LEU CD2 C 23.947 0.3 2 668 75 75 LEU N N 125.326 0.3 1 669 76 76 GLU H H 8.476 0.02 1 670 76 76 GLU HA H 4.165 0.02 1 671 76 76 GLU HB2 H 2.056 0.02 2 672 76 76 GLU HB3 H 1.904 0.02 2 673 76 76 GLU HG2 H 2.430 0.02 2 674 76 76 GLU HG3 H 2.294 0.02 2 675 76 76 GLU C C 175.454 0.3 1 676 76 76 GLU CA C 56.725 0.3 1 677 76 76 GLU CB C 30.748 0.3 1 678 76 76 GLU CG C 36.976 0.3 1 679 76 76 GLU N N 121.314 0.3 1 680 77 77 THR H H 8.668 0.02 1 681 77 77 THR HA H 5.425 0.02 1 682 77 77 THR HB H 4.005 0.02 1 683 77 77 THR HG2 H 1.144 0.02 1 684 77 77 THR C C 177.217 0.3 1 685 77 77 THR CA C 59.384 0.3 1 686 77 77 THR CB C 73.299 0.3 1 687 77 77 THR CG2 C 21.982 0.3 1 688 77 77 THR N N 109.033 0.3 1 689 78 78 THR H H 8.597 0.02 1 690 78 78 THR HA H 3.884 0.02 1 691 78 78 THR HB H 4.382 0.02 1 692 78 78 THR HG2 H 1.177 0.02 1 693 78 78 THR C C 176.007 0.3 1 694 78 78 THR CA C 64.064 0.3 1 695 78 78 THR CB C 69.572 0.3 1 696 78 78 THR CG2 C 23.171 0.3 1 697 78 78 THR N N 109.922 0.3 1 698 79 79 ARG H H 7.345 0.02 1 699 79 79 ARG HA H 4.506 0.02 1 700 79 79 ARG HB2 H 1.859 0.02 2 701 79 79 ARG HB3 H 1.740 0.02 2 702 79 79 ARG HG2 H 1.607 0.02 2 703 79 79 ARG HG3 H 1.607 0.02 2 704 79 79 ARG HD2 H 3.129 0.02 2 705 79 79 ARG HD3 H 3.129 0.02 2 706 79 79 ARG C C 175.140 0.3 1 707 79 79 ARG CA C 56.331 0.3 1 708 79 79 ARG CB C 31.900 0.3 1 709 79 79 ARG CG C 27.041 0.3 1 710 79 79 ARG CD C 43.385 0.3 1 711 79 79 ARG N N 118.053 0.3 1 712 80 80 GLY H H 8.106 0.02 1 713 80 80 GLY HA2 H 4.370 0.02 2 714 80 80 GLY HA3 H 3.919 0.02 2 715 80 80 GLY C C 171.121 0.3 1 716 80 80 GLY CA C 44.784 0.3 1 717 80 80 GLY N N 111.218 0.3 1 718 82 82 PRO HA H 4.693 0.02 1 719 82 82 PRO HB2 H 2.151 0.02 2 720 82 82 PRO HB3 H 1.626 0.02 2 721 82 82 PRO HG2 H 1.938 0.02 2 722 82 82 PRO HG3 H 1.938 0.02 2 723 82 82 PRO HD2 H 3.809 0.02 2 724 82 82 PRO HD3 H 3.569 0.02 2 725 82 82 PRO C C 175.336 0.3 1 726 82 82 PRO CA C 63.408 0.3 1 727 82 82 PRO CB C 32.974 0.3 1 728 82 82 PRO CG C 27.365 0.3 1 729 82 82 PRO CD C 50.673 0.3 1 730 83 83 ALA H H 8.873 0.02 1 731 83 83 ALA HA H 4.671 0.02 1 732 83 83 ALA HB H 1.285 0.02 1 733 83 83 ALA C C 175.657 0.3 1 734 83 83 ALA CA C 50.561 0.3 1 735 83 83 ALA CB C 22.656 0.3 1 736 83 83 ALA N N 124.721 0.3 1 737 84 84 GLU H H 8.315 0.02 1 738 84 84 GLU HA H 4.854 0.02 1 739 84 84 GLU HB2 H 1.865 0.02 2 740 84 84 GLU HB3 H 1.865 0.02 2 741 84 84 GLU HG2 H 2.215 0.02 2 742 84 84 GLU HG3 H 2.035 0.02 2 743 84 84 GLU C C 175.858 0.3 1 744 84 84 GLU CA C 56.301 0.3 1 745 84 84 GLU CB C 31.328 0.3 1 746 84 84 GLU CG C 37.198 0.3 1 747 84 84 GLU N N 121.233 0.3 1 748 85 85 TYR H H 9.035 0.02 1 749 85 85 TYR HA H 4.867 0.02 1 750 85 85 TYR HB2 H 3.133 0.02 2 751 85 85 TYR HB3 H 2.414 0.02 2 752 85 85 TYR HD1 H 6.999 0.02 3 753 85 85 TYR HD2 H 6.999 0.02 3 754 85 85 TYR HE1 H 6.446 0.02 3 755 85 85 TYR HE2 H 6.448 0.02 3 756 85 85 TYR C C 175.147 0.3 1 757 85 85 TYR CA C 57.148 0.3 1 758 85 85 TYR CB C 44.086 0.3 1 759 85 85 TYR CD1 C 132.758 0.3 3 760 85 85 TYR CD2 C 132.758 0.3 3 761 85 85 TYR CE1 C 118.170 0.3 3 762 85 85 TYR CE2 C 118.170 0.3 3 763 85 85 TYR N N 123.797 0.3 1 764 86 86 THR H H 9.060 0.02 1 765 86 86 THR HA H 4.925 0.02 1 766 86 86 THR HB H 4.057 0.02 1 767 86 86 THR HG2 H 1.163 0.02 1 768 86 86 THR C C 175.067 0.3 1 769 86 86 THR CA C 62.364 0.3 1 770 86 86 THR CB C 70.391 0.3 1 771 86 86 THR CG2 C 22.110 0.3 1 772 86 86 THR N N 115.979 0.3 1 773 87 87 ARG H H 9.254 0.02 1 774 87 87 ARG HA H 4.086 0.02 1 775 87 87 ARG HB2 H 1.804 0.02 2 776 87 87 ARG HB3 H 1.804 0.02 2 777 87 87 ARG HG2 H 1.679 0.02 2 778 87 87 ARG HG3 H 1.633 0.02 2 779 87 87 ARG HD2 H 3.196 0.02 2 780 87 87 ARG HD3 H 3.196 0.02 2 781 87 87 ARG C C 174.034 0.3 1 782 87 87 ARG CA C 57.932 0.3 1 783 87 87 ARG CB C 30.210 0.3 1 784 87 87 ARG CG C 27.240 0.3 1 785 87 87 ARG CD C 43.335 0.3 1 786 87 87 ARG N N 128.895 0.3 1 787 88 88 ALA H H 8.652 0.02 1 788 88 88 ALA HA H 4.601 0.02 1 789 88 88 ALA HB H 1.317 0.02 1 790 88 88 ALA C C 178.590 0.3 1 791 88 88 ALA CA C 53.078 0.3 1 792 88 88 ALA CB C 22.849 0.3 1 793 88 88 ALA N N 127.849 0.3 1 794 89 89 ALA H H 7.947 0.02 1 795 89 89 ALA HA H 4.667 0.02 1 796 89 89 ALA HB H 0.955 0.02 1 797 89 89 ALA C C 173.994 0.3 1 798 89 89 ALA CA C 51.572 0.3 1 799 89 89 ALA CB C 22.784 0.3 1 800 89 89 ALA N N 117.934 0.3 1 801 90 90 VAL H H 8.195 0.02 1 802 90 90 VAL HA H 4.620 0.02 1 803 90 90 VAL HB H 1.819 0.02 1 804 90 90 VAL HG1 H 0.861 0.02 2 805 90 90 VAL HG2 H 0.885 0.02 2 806 90 90 VAL C C 174.303 0.3 1 807 90 90 VAL CA C 61.769 0.3 1 808 90 90 VAL CB C 34.476 0.3 1 809 90 90 VAL CG1 C 21.398 0.3 2 810 90 90 VAL CG2 C 21.435 0.3 2 811 90 90 VAL N N 118.366 0.3 1 812 91 91 LEU H H 9.219 0.02 1 813 91 91 LEU HA H 5.341 0.02 1 814 91 91 LEU HB2 H 1.848 0.02 2 815 91 91 LEU HB3 H 1.132 0.02 2 816 91 91 LEU HG H 1.537 0.02 1 817 91 91 LEU HD1 H 0.755 0.02 2 818 91 91 LEU HD2 H 0.685 0.02 2 819 91 91 LEU C C 175.661 0.3 1 820 91 91 LEU CA C 52.610 0.3 1 821 91 91 LEU CB C 43.708 0.3 1 822 91 91 LEU CG C 27.271 0.3 1 823 91 91 LEU CD1 C 24.797 0.3 2 824 91 91 LEU CD2 C 27.079 0.3 2 825 91 91 LEU N N 126.237 0.3 1 826 92 92 GLY H H 8.704 0.02 1 827 92 92 GLY HA2 H 5.320 0.02 2 828 92 92 GLY HA3 H 3.770 0.02 2 829 92 92 GLY C C 172.807 0.3 1 830 92 92 GLY CA C 44.252 0.3 1 831 92 92 GLY N N 109.806 0.3 1 832 93 93 PHE H H 8.421 0.02 1 833 93 93 PHE HA H 5.171 0.02 1 834 93 93 PHE HB2 H 3.002 0.02 2 835 93 93 PHE HB3 H 2.946 0.02 2 836 93 93 PHE HD1 H 6.777 0.02 3 837 93 93 PHE HD2 H 6.777 0.02 3 838 93 93 PHE HE1 H 6.857 0.02 3 839 93 93 PHE C C 171.087 0.3 1 840 93 93 PHE CA C 55.902 0.3 1 841 93 93 PHE CB C 41.341 0.3 1 842 93 93 PHE CD1 C 132.968 0.3 3 843 93 93 PHE CD2 C 132.968 0.3 3 844 93 93 PHE CE1 C 129.625 0.3 3 845 93 93 PHE N N 120.526 0.3 1 846 94 94 ASP H H 9.076 0.02 1 847 94 94 ASP HA H 5.538 0.02 1 848 94 94 ASP HB2 H 2.613 0.02 2 849 94 94 ASP HB3 H 2.557 0.02 2 850 94 94 ASP C C 176.112 0.3 1 851 94 94 ASP CA C 53.049 0.3 1 852 94 94 ASP CB C 42.852 0.3 1 853 94 94 ASP N N 120.548 0.3 1 854 95 95 LEU H H 8.313 0.02 1 855 95 95 LEU HA H 4.602 0.02 1 856 95 95 LEU HB2 H 1.719 0.02 2 857 95 95 LEU HB3 H 1.528 0.02 2 858 95 95 LEU HD1 H 0.730 0.02 2 859 95 95 LEU HD2 H 0.820 0.02 2 860 95 95 LEU C C 177.187 0.3 1 861 95 95 LEU CA C 54.881 0.3 1 862 95 95 LEU CB C 44.515 0.3 1 863 95 95 LEU CD1 C 25.176 0.3 2 864 95 95 LEU CD2 C 24.894 0.3 2 865 95 95 LEU N N 121.275 0.3 1 866 96 96 GLY H H 9.117 0.02 1 867 96 96 GLY HA2 H 3.695 0.02 2 868 96 96 GLY HA3 H 3.932 0.02 2 869 96 96 GLY C C 174.861 0.3 1 870 96 96 GLY CA C 47.166 0.3 1 871 96 96 GLY N N 117.072 0.3 1 872 97 97 ASP H H 8.764 0.02 1 873 97 97 ASP HA H 4.567 0.02 1 874 97 97 ASP HB2 H 2.801 0.02 2 875 97 97 ASP HB3 H 2.731 0.02 2 876 97 97 ASP C C 175.554 0.3 1 877 97 97 ASP CA C 54.625 0.3 1 878 97 97 ASP CB C 40.738 0.3 1 879 97 97 ASP N N 123.541 0.3 1 880 98 98 SER H H 7.634 0.02 1 881 98 98 SER HA H 4.590 0.02 1 882 98 98 SER HB2 H 3.660 0.02 2 883 98 98 SER HB3 H 3.559 0.02 2 884 98 98 SER C C 170.784 0.3 1 885 98 98 SER CA C 57.795 0.3 1 886 98 98 SER CB C 65.931 0.3 1 887 98 98 SER N N 113.912 0.3 1 888 99 99 HIS H H 8.174 0.02 1 889 99 99 HIS HA H 4.976 0.02 1 890 99 99 HIS HB2 H 2.923 0.02 2 891 99 99 HIS HB3 H 2.917 0.02 2 892 99 99 HIS HD2 H 7.030 0.02 1 893 99 99 HIS C C 173.156 0.3 1 894 99 99 HIS CA C 54.515 0.3 1 895 99 99 HIS CB C 30.146 0.3 1 896 99 99 HIS N N 120.713 0.3 1 897 100 100 HIS H H 8.485 0.02 1 898 100 100 HIS HA H 4.855 0.02 1 899 100 100 HIS HB2 H 2.670 0.02 2 900 100 100 HIS HB3 H 2.670 0.02 2 901 100 100 HIS C C 173.582 0.3 1 902 100 100 HIS CA C 54.568 0.3 1 903 100 100 HIS CB C 34.652 0.3 1 904 100 100 HIS N N 124.689 0.3 1 905 101 101 THR H H 7.812 0.02 1 906 101 101 THR HA H 5.516 0.02 1 907 101 101 THR HB H 3.947 0.02 1 908 101 101 THR HG2 H 1.091 0.02 1 909 101 101 THR C C 174.453 0.3 1 910 101 101 THR CA C 59.536 0.3 1 911 101 101 THR CB C 72.314 0.3 1 912 101 101 THR CG2 C 21.869 0.3 1 913 101 101 THR N N 109.457 0.3 1 914 102 102 LEU H H 8.854 0.02 1 915 102 102 LEU HA H 4.785 0.02 1 916 102 102 LEU HB2 H 1.475 0.02 2 917 102 102 LEU HB3 H 1.264 0.02 2 918 102 102 LEU HD1 H 1.072 0.02 2 919 102 102 LEU HD2 H 0.635 0.02 2 920 102 102 LEU C C 175.525 0.3 1 921 102 102 LEU CA C 53.219 0.3 1 922 102 102 LEU CB C 48.221 0.3 1 923 102 102 LEU CD1 C 23.852 0.3 2 924 102 102 LEU CD2 C 25.366 0.3 2 925 102 102 LEU N N 121.037 0.3 1 926 103 103 THR H H 9.719 0.02 1 927 103 103 THR HA H 4.474 0.02 1 928 103 103 THR HB H 3.887 0.02 1 929 103 103 THR HG2 H 0.642 0.02 1 930 103 103 THR C C 171.978 0.3 1 931 103 103 THR CA C 63.679 0.3 1 932 103 103 THR CB C 69.052 0.3 1 933 103 103 THR CG2 C 22.695 0.3 1 934 103 103 THR N N 119.976 0.3 1 935 104 104 ALA H H 8.699 0.02 1 936 104 104 ALA HA H 4.857 0.02 1 937 104 104 ALA HB H 1.105 0.02 1 938 104 104 ALA C C 175.623 0.3 1 939 104 104 ALA CA C 49.080 0.3 1 940 104 104 ALA CB C 23.652 0.3 1 941 104 104 ALA N N 125.995 0.3 1 942 105 105 PHE H H 9.169 0.02 1 943 105 105 PHE HA H 5.381 0.02 1 944 105 105 PHE HB2 H 3.260 0.02 2 945 105 105 PHE HB3 H 2.756 0.02 2 946 105 105 PHE HD1 H 6.970 0.02 3 947 105 105 PHE HD2 H 6.970 0.02 3 948 105 105 PHE C C 174.471 0.3 1 949 105 105 PHE CA C 57.187 0.3 1 950 105 105 PHE CB C 42.779 0.3 1 951 105 105 PHE CD1 C 131.731 0.3 3 952 105 105 PHE CD2 C 131.731 0.3 3 953 105 105 PHE N N 120.025 0.3 1 954 106 106 ARG H H 9.135 0.02 1 955 106 106 ARG HA H 4.955 0.02 1 956 106 106 ARG HB2 H 1.904 0.02 2 957 106 106 ARG HB3 H 1.741 0.02 2 958 106 106 ARG HG2 H 1.682 0.02 2 959 106 106 ARG HG3 H 1.627 0.02 2 960 106 106 ARG HD2 H 3.255 0.02 2 961 106 106 ARG HD3 H 3.256 0.02 2 962 106 106 ARG C C 175.794 0.3 1 963 106 106 ARG CA C 55.627 0.3 1 964 106 106 ARG CB C 33.484 0.3 1 965 106 106 ARG CG C 27.543 0.3 1 966 106 106 ARG CD C 43.621 0.3 1 967 106 106 ARG N N 120.358 0.3 1 968 107 107 VAL H H 9.362 0.02 1 969 107 107 VAL HA H 4.271 0.02 1 970 107 107 VAL HB H 1.910 0.02 1 971 107 107 VAL HG1 H 0.907 0.02 2 972 107 107 VAL HG2 H 0.908 0.02 2 973 107 107 VAL C C 175.952 0.3 1 974 107 107 VAL CA C 61.631 0.3 1 975 107 107 VAL CB C 33.466 0.3 1 976 107 107 VAL CG1 C 21.787 0.3 2 977 107 107 VAL CG2 C 21.056 0.3 2 978 107 107 VAL N N 127.358 0.3 1 979 108 108 GLU H H 8.694 0.02 1 980 108 108 GLU HA H 4.030 0.02 1 981 108 108 GLU HB2 H 2.013 0.02 2 982 108 108 GLU HB3 H 1.968 0.02 2 983 108 108 GLU HG2 H 2.285 0.02 2 984 108 108 GLU HG3 H 2.285 0.02 2 985 108 108 GLU C C 177.389 0.3 1 986 108 108 GLU CA C 58.448 0.3 1 987 108 108 GLU CB C 29.125 0.3 1 988 108 108 GLU CG C 35.880 0.3 1 989 108 108 GLU N N 127.561 0.3 1 990 109 109 GLY H H 8.764 0.02 1 991 109 109 GLY HA2 H 3.721 0.02 2 992 109 109 GLY HA3 H 4.270 0.02 2 993 109 109 GLY C C 173.935 0.3 1 994 109 109 GLY CA C 45.355 0.3 1 995 109 109 GLY N N 113.493 0.3 1 996 110 110 GLU H H 8.029 0.02 1 997 110 110 GLU HA H 4.756 0.02 1 998 110 110 GLU HB2 H 2.021 0.02 2 999 110 110 GLU HB3 H 2.021 0.02 2 1000 110 110 GLU HG2 H 2.290 0.02 2 1001 110 110 GLU HG3 H 2.160 0.02 2 1002 110 110 GLU C C 176.774 0.3 1 1003 110 110 GLU CA C 55.080 0.3 1 1004 110 110 GLU CB C 31.727 0.3 1 1005 110 110 GLU CG C 35.868 0.3 1 1006 110 110 GLU N N 119.286 0.3 1 1007 111 111 SER H H 8.809 0.02 1 1008 111 111 SER HA H 4.489 0.02 1 1009 111 111 SER HB2 H 3.966 0.02 2 1010 111 111 SER HB3 H 3.887 0.02 2 1011 111 111 SER C C 174.362 0.3 1 1012 111 111 SER CA C 59.456 0.3 1 1013 111 111 SER CB C 63.971 0.3 1 1014 111 111 SER N N 116.704 0.3 1 1015 112 112 SER H H 7.880 0.02 1 1016 112 112 SER HA H 4.585 0.02 1 1017 112 112 SER HB2 H 3.881 0.02 2 1018 112 112 SER HB3 H 3.821 0.02 2 1019 112 112 SER C C 173.491 0.3 1 1020 112 112 SER CA C 58.839 0.3 1 1021 112 112 SER CB C 64.032 0.3 1 1022 112 112 SER N N 116.303 0.3 1 1023 113 113 LEU H H 9.092 0.02 1 1024 113 113 LEU HA H 4.976 0.02 1 1025 113 113 LEU HB2 H 1.857 0.02 2 1026 113 113 LEU HB3 H 1.350 0.02 2 1027 113 113 LEU HG H 1.747 0.02 1 1028 113 113 LEU HD1 H 0.808 0.02 2 1029 113 113 LEU HD2 H 0.805 0.02 2 1030 113 113 LEU C C 176.108 0.3 1 1031 113 113 LEU CA C 53.678 0.3 1 1032 113 113 LEU CB C 43.958 0.3 1 1033 113 113 LEU CG C 27.202 0.3 1 1034 113 113 LEU CD1 C 22.846 0.3 2 1035 113 113 LEU CD2 C 25.701 0.3 2 1036 113 113 LEU N N 120.570 0.3 1 1037 114 114 PHE H H 9.455 0.02 1 1038 114 114 PHE HA H 5.387 0.02 1 1039 114 114 PHE HB2 H 3.187 0.02 2 1040 114 114 PHE HB3 H 2.864 0.02 2 1041 114 114 PHE HD1 H 6.736 0.02 3 1042 114 114 PHE HD2 H 6.736 0.02 3 1043 114 114 PHE HE1 H 6.009 0.02 3 1044 114 114 PHE HE2 H 6.009 0.02 3 1045 114 114 PHE HZ H 6.069 0.02 1 1046 114 114 PHE C C 174.521 0.3 1 1047 114 114 PHE CA C 55.704 0.3 1 1048 114 114 PHE CB C 41.755 0.3 1 1049 114 114 PHE CD1 C 131.381 0.3 3 1050 114 114 PHE CD2 C 131.381 0.3 3 1051 114 114 PHE CE1 C 130.157 0.3 3 1052 114 114 PHE CE2 C 130.157 0.3 3 1053 114 114 PHE CZ C 128.786 0.3 1 1054 114 114 PHE N N 123.632 0.3 1 1055 115 115 VAL H H 8.868 0.02 1 1056 115 115 VAL HA H 4.587 0.02 1 1057 115 115 VAL HB H 2.281 0.02 1 1058 115 115 VAL HG1 H 0.754 0.02 2 1059 115 115 VAL HG2 H 0.644 0.02 2 1060 115 115 VAL C C 172.702 0.3 1 1061 115 115 VAL CA C 59.189 0.3 1 1062 115 115 VAL CB C 32.625 0.3 1 1063 115 115 VAL CG1 C 22.713 0.3 2 1064 115 115 VAL CG2 C 20.940 0.3 2 1065 115 115 VAL N N 126.797 0.3 1 1066 116 116 PRO HA H 5.683 0.02 1 1067 116 116 PRO C C 176.168 0.3 1 1068 116 116 PRO CA C 60.959 0.3 1 1069 116 116 PRO CB C 30.505 0.3 1 1070 117 117 PHE H H 10.137 0.02 1 1071 117 117 PHE HA H 5.624 0.02 1 1072 117 117 PHE HB2 H 3.536 0.02 2 1073 117 117 PHE HB3 H 3.536 0.02 2 1074 117 117 PHE HD1 H 7.262 0.02 3 1075 117 117 PHE HD2 H 7.262 0.02 3 1076 117 117 PHE HE1 H 7.219 0.02 3 1077 117 117 PHE HE2 H 7.219 0.02 3 1078 117 117 PHE HZ H 7.041 0.02 1 1079 117 117 PHE C C 171.953 0.3 1 1080 117 117 PHE CA C 57.179 0.3 1 1081 117 117 PHE CB C 42.447 0.3 1 1082 117 117 PHE CE1 C 130.995 0.3 3 1083 117 117 PHE CE2 C 130.995 0.3 3 1084 117 117 PHE CZ C 127.921 0.3 1 1085 117 117 PHE N N 123.031 0.3 1 1086 118 118 THR H H 8.407 0.02 1 1087 118 118 THR HA H 4.678 0.02 1 1088 118 118 THR HB H 4.628 0.02 1 1089 118 118 THR HG2 H 1.234 0.02 1 1090 118 118 THR C C 173.634 0.3 1 1091 118 118 THR CA C 59.906 0.3 1 1092 118 118 THR CB C 72.509 0.3 1 1093 118 118 THR CG2 C 22.154 0.3 1 1094 118 118 THR N N 107.356 0.3 1 1095 119 119 ASP H H 9.172 0.02 1 1096 119 119 ASP HA H 5.374 0.02 1 1097 119 119 ASP HB2 H 3.745 0.02 2 1098 119 119 ASP HB3 H 3.745 0.02 2 1099 119 119 ASP C C 175.809 0.3 1 1100 119 119 ASP CA C 55.160 0.3 1 1101 119 119 ASP CB C 41.561 0.3 1 1102 119 119 ASP N N 117.540 0.3 1 1103 120 120 GLU H H 8.725 0.02 1 1104 120 120 GLU HA H 4.340 0.02 1 1105 120 120 GLU HB2 H 2.029 0.02 2 1106 120 120 GLU HB3 H 1.496 0.02 2 1107 120 120 GLU HG2 H 2.366 0.02 2 1108 120 120 GLU HG3 H 2.314 0.02 2 1109 120 120 GLU C C 179.457 0.3 1 1110 120 120 GLU CA C 60.416 0.3 1 1111 120 120 GLU CB C 29.059 0.3 1 1112 120 120 GLU CG C 36.954 0.3 1 1113 120 120 GLU N N 121.704 0.3 1 1114 121 121 THR H H 9.359 0.02 1 1115 121 121 THR HA H 4.771 0.02 1 1116 121 121 THR HB H 4.160 0.02 1 1117 121 121 THR HG2 H 1.030 0.02 1 1118 121 121 THR C C 176.883 0.3 1 1119 121 121 THR CA C 64.353 0.3 1 1120 121 121 THR CB C 68.496 0.3 1 1121 121 121 THR CG2 C 20.838 0.3 1 1122 121 121 THR N N 109.799 0.3 1 1123 122 122 THR H H 7.409 0.02 1 1124 122 122 THR HA H 3.609 0.02 1 1125 122 122 THR HB H 4.372 0.02 1 1126 122 122 THR HG2 H 1.217 0.02 1 1127 122 122 THR C C 178.055 0.3 1 1128 122 122 THR CA C 65.389 0.3 1 1129 122 122 THR CB C 68.907 0.3 1 1130 122 122 THR CG2 C 22.863 0.3 1 1131 122 122 THR N N 121.600 0.3 1 1132 123 123 ASP H H 6.942 0.02 1 1133 123 123 ASP HA H 4.420 0.02 1 1134 123 123 ASP HB2 H 2.769 0.02 2 1135 123 123 ASP HB3 H 2.769 0.02 2 1136 123 123 ASP C C 177.569 0.3 1 1137 123 123 ASP CA C 56.639 0.3 1 1138 123 123 ASP CB C 40.886 0.3 1 1139 123 123 ASP N N 119.789 0.3 1 1140 124 124 ASP H H 7.979 0.02 1 1141 124 124 ASP HA H 4.640 0.02 1 1142 124 124 ASP C C 177.524 0.3 1 1143 124 124 ASP CA C 53.298 0.3 1 1144 124 124 ASP CB C 40.100 0.3 1 1145 124 124 ASP N N 116.399 0.3 1 1146 125 125 GLY H H 7.284 0.02 1 1147 125 125 GLY HA2 H 4.138 0.02 2 1148 125 125 GLY HA3 H 4.138 0.02 2 1149 125 125 GLY C C 174.996 0.3 1 1150 125 125 GLY CA C 45.403 0.3 1 1151 125 125 GLY N N 106.643 0.3 1 1152 126 126 ARG H H 8.482 0.02 1 1153 126 126 ARG HA H 4.282 0.02 1 1154 126 126 ARG C C 177.392 0.3 1 1155 126 126 ARG CA C 58.896 0.3 1 1156 126 126 ARG CB C 33.290 0.3 1 1157 126 126 ARG CG C 27.033 0.3 1 1158 126 126 ARG CD C 40.381 0.3 1 1159 126 126 ARG N N 119.296 0.3 1 1160 127 127 THR H H 7.664 0.02 1 1161 127 127 THR HA H 4.511 0.02 1 1162 127 127 THR HB H 4.332 0.02 1 1163 127 127 THR HG2 H 1.443 0.02 1 1164 127 127 THR C C 172.693 0.3 1 1165 127 127 THR CA C 59.491 0.3 1 1166 127 127 THR CB C 70.859 0.3 1 1167 127 127 THR CG2 C 21.385 0.3 1 1168 127 127 THR N N 106.637 0.3 1 1169 128 128 TYR HB2 H 2.883 0.02 2 1170 128 128 TYR HB3 H 2.710 0.02 2 1171 128 128 TYR C C 178.239 0.3 1 1172 128 128 TYR CB C 37.413 0.3 1 1173 129 129 GLU H H 8.379 0.02 1 1174 129 129 GLU HA H 4.145 0.02 1 1175 129 129 GLU HB2 H 1.697 0.02 2 1176 129 129 GLU HB3 H 1.562 0.02 2 1177 129 129 GLU HG2 H 1.135 0.02 2 1178 129 129 GLU HG3 H 0.796 0.02 2 1179 129 129 GLU CA C 59.132 0.3 1 1180 129 129 GLU CB C 29.301 0.3 1 1181 129 129 GLU CG C 33.775 0.3 1 1182 129 129 GLU N N 126.754 0.3 1 1183 130 130 HIS HA H 4.827 0.02 1 1184 130 130 HIS HB2 H 3.304 0.02 2 1185 130 130 HIS HB3 H 2.547 0.02 2 1186 130 130 HIS C C 173.956 0.3 1 1187 130 130 HIS CA C 55.173 0.3 1 1188 130 130 HIS CB C 30.279 0.3 1 1189 131 131 GLY H H 7.454 0.02 1 1190 131 131 GLY HA2 H 4.523 0.02 2 1191 131 131 GLY HA3 H 3.631 0.02 2 1192 131 131 GLY C C 170.087 0.3 1 1193 131 131 GLY CA C 43.981 0.3 1 1194 131 131 GLY N N 106.674 0.3 1 1195 132 132 ARG H H 7.966 0.02 1 1196 132 132 ARG HA H 4.540 0.02 1 1197 132 132 ARG C C 173.472 0.3 1 1198 132 132 ARG CA C 54.226 0.3 1 1199 132 132 ARG CB C 38.115 0.3 1 1200 132 132 ARG N N 110.993 0.3 1 1201 133 133 TYR H H 8.948 0.02 1 1202 133 133 TYR HA H 5.358 0.02 1 1203 133 133 TYR HB2 H 2.549 0.02 2 1204 133 133 TYR HB3 H 1.673 0.02 2 1205 133 133 TYR HD1 H 7.035 0.02 3 1206 133 133 TYR HD2 H 7.035 0.02 3 1207 133 133 TYR HE1 H 6.841 0.02 3 1208 133 133 TYR HE2 H 6.841 0.02 3 1209 133 133 TYR C C 175.115 0.3 1 1210 133 133 TYR CA C 52.525 0.3 1 1211 133 133 TYR CB C 39.982 0.3 1 1212 133 133 TYR CD1 C 130.599 0.3 3 1213 133 133 TYR CD2 C 130.599 0.3 3 1214 133 133 TYR CE1 C 117.588 0.3 3 1215 133 133 TYR CE2 C 117.588 0.3 3 1216 133 133 TYR N N 117.573 0.3 1 1217 134 134 LEU H H 7.613 0.02 1 1218 134 134 LEU HA H 4.690 0.02 1 1219 134 134 LEU HB2 H 1.539 0.02 2 1220 134 134 LEU HB3 H 1.453 0.02 2 1221 134 134 LEU HG H 1.415 0.02 1 1222 134 134 LEU HD1 H 0.445 0.02 2 1223 134 134 LEU HD2 H 0.251 0.02 2 1224 134 134 LEU C C 174.706 0.3 1 1225 134 134 LEU CA C 54.093 0.3 1 1226 134 134 LEU CB C 47.210 0.3 1 1227 134 134 LEU CD1 C 25.467 0.3 2 1228 134 134 LEU CD2 C 26.157 0.3 2 1229 134 134 LEU N N 118.625 0.3 1 1230 135 135 ASP H H 8.484 0.02 1 1231 135 135 ASP HA H 5.559 0.02 1 1232 135 135 ASP HB2 H 2.664 0.02 2 1233 135 135 ASP HB3 H 2.664 0.02 2 1234 135 135 ASP C C 176.027 0.3 1 1235 135 135 ASP CA C 53.280 0.3 1 1236 135 135 ASP CB C 41.535 0.3 1 1237 135 135 ASP N N 123.833 0.3 1 1238 136 136 VAL H H 8.681 0.02 1 1239 136 136 VAL HA H 4.312 0.02 1 1240 136 136 VAL HB H 1.638 0.02 1 1241 136 136 VAL HG1 H 0.638 0.02 2 1242 136 136 VAL HG2 H 0.622 0.02 2 1243 136 136 VAL C C 173.714 0.3 1 1244 136 136 VAL CA C 60.990 0.3 1 1245 136 136 VAL CB C 35.483 0.3 1 1246 136 136 VAL CG1 C 22.067 0.3 2 1247 136 136 VAL CG2 C 20.111 0.3 2 1248 136 136 VAL N N 123.027 0.3 1 1249 137 137 ASP H H 8.867 0.02 1 1250 137 137 ASP HA H 5.108 0.02 1 1251 137 137 ASP HB2 H 2.867 0.02 2 1252 137 137 ASP HB3 H 2.544 0.02 2 1253 137 137 ASP C C 173.783 0.3 1 1254 137 137 ASP CA C 50.508 0.3 1 1255 137 137 ASP CB C 41.596 0.3 1 1256 137 137 ASP N N 128.445 0.3 1 1257 138 138 PRO HA H 4.007 0.02 1 1258 138 138 PRO HB2 H 1.795 0.02 2 1259 138 138 PRO HB3 H 1.470 0.02 2 1260 138 138 PRO HD2 H 4.057 0.02 2 1261 138 138 PRO HD3 H 3.988 0.02 2 1262 138 138 PRO C C 176.260 0.3 1 1263 138 138 PRO CA C 63.139 0.3 1 1264 138 138 PRO CB C 31.562 0.3 1 1265 138 138 PRO CG C 26.821 0.3 1 1266 138 138 PRO CD C 50.669 0.3 1 1267 139 139 ALA H H 7.946 0.02 1 1268 139 139 ALA HA H 3.968 0.02 1 1269 139 139 ALA HB H 1.228 0.02 1 1270 139 139 ALA C C 177.990 0.3 1 1271 139 139 ALA CA C 53.420 0.3 1 1272 139 139 ALA CB C 17.762 0.3 1 1273 139 139 ALA N N 122.462 0.3 1 1274 140 140 GLY H H 8.371 0.02 1 1275 140 140 GLY HA2 H 3.941 0.02 2 1276 140 140 GLY HA3 H 3.836 0.02 2 1277 140 140 GLY C C 174.449 0.3 1 1278 140 140 GLY CA C 45.392 0.3 1 1279 140 140 GLY N N 107.687 0.3 1 1280 141 141 ALA H H 7.774 0.02 1 1281 141 141 ALA HA H 4.249 0.02 1 1282 141 141 ALA HB H 1.122 0.02 1 1283 141 141 ALA C C 177.168 0.3 1 1284 141 141 ALA CA C 52.951 0.3 1 1285 141 141 ALA CB C 19.354 0.3 1 1286 141 141 ALA N N 123.161 0.3 1 1287 142 142 ASP H H 8.858 0.02 1 1288 142 142 ASP HB2 H 2.767 0.02 2 1289 142 142 ASP HB3 H 2.629 0.02 2 1290 142 142 ASP C C 176.769 0.3 1 1291 142 142 ASP CA C 52.965 0.3 1 1292 142 142 ASP CB C 42.438 0.3 1 1293 142 142 ASP N N 121.031 0.3 1 1294 143 143 GLY H H 8.603 0.02 1 1295 143 143 GLY HA2 H 3.930 0.02 2 1296 143 143 GLY HA3 H 3.889 0.02 2 1297 143 143 GLY C C 175.170 0.3 1 1298 143 143 GLY CA C 46.822 0.3 1 1299 143 143 GLY N N 106.678 0.3 1 1300 144 144 GLY H H 8.852 0.02 1 1301 144 144 GLY HA2 H 4.310 0.02 2 1302 144 144 GLY HA3 H 3.742 0.02 2 1303 144 144 GLY C C 174.074 0.3 1 1304 144 144 GLY CA C 45.324 0.3 1 1305 144 144 GLY N N 112.908 0.3 1 1306 145 145 ASP H H 8.252 0.02 1 1307 145 145 ASP HA H 4.811 0.02 1 1308 145 145 ASP HB2 H 3.069 0.02 2 1309 145 145 ASP HB3 H 2.836 0.02 2 1310 145 145 ASP C C 175.135 0.3 1 1311 145 145 ASP CA C 54.243 0.3 1 1312 145 145 ASP CB C 41.898 0.3 1 1313 145 145 ASP N N 120.477 0.3 1 1314 146 146 GLU H H 8.209 0.02 1 1315 146 146 GLU HA H 5.246 0.02 1 1316 146 146 GLU HB2 H 1.905 0.02 2 1317 146 146 GLU HB3 H 1.760 0.02 2 1318 146 146 GLU HG2 H 2.283 0.02 2 1319 146 146 GLU HG3 H 1.978 0.02 2 1320 146 146 GLU C C 176.524 0.3 1 1321 146 146 GLU CA C 55.399 0.3 1 1322 146 146 GLU CB C 32.179 0.3 1 1323 146 146 GLU CG C 37.155 0.3 1 1324 146 146 GLU N N 117.755 0.3 1 1325 147 147 VAL H H 9.127 0.02 1 1326 147 147 VAL HA H 4.405 0.02 1 1327 147 147 VAL HB H 1.839 0.02 1 1328 147 147 VAL HG1 H 0.554 0.02 2 1329 147 147 VAL HG2 H 0.559 0.02 2 1330 147 147 VAL C C 173.895 0.3 1 1331 147 147 VAL CA C 59.082 0.3 1 1332 147 147 VAL CB C 35.150 0.3 1 1333 147 147 VAL CG1 C 21.453 0.3 2 1334 147 147 VAL CG2 C 19.805 0.3 2 1335 147 147 VAL N N 117.908 0.3 1 1336 148 148 ALA H H 8.435 0.02 1 1337 148 148 ALA HA H 4.429 0.02 1 1338 148 148 ALA HB H 1.198 0.02 1 1339 148 148 ALA C C 176.061 0.3 1 1340 148 148 ALA CA C 52.372 0.3 1 1341 148 148 ALA CB C 18.917 0.3 1 1342 148 148 ALA N N 125.707 0.3 1 1343 149 149 LEU H H 8.727 0.02 1 1344 149 149 LEU HA H 4.121 0.02 1 1345 149 149 LEU HB2 H 1.045 0.02 2 1346 149 149 LEU HB3 H 0.734 0.02 2 1347 149 149 LEU HG H 0.542 0.02 1 1348 149 149 LEU HD1 H 0.071 0.02 2 1349 149 149 LEU HD2 H -0.150 0.02 2 1350 149 149 LEU C C 173.138 0.3 1 1351 149 149 LEU CA C 53.331 0.3 1 1352 149 149 LEU CB C 42.902 0.3 1 1353 149 149 LEU CG C 25.741 0.3 1 1354 149 149 LEU CD1 C 25.461 0.3 2 1355 149 149 LEU CD2 C 25.705 0.3 2 1356 149 149 LEU N N 127.043 0.3 1 1357 150 150 ASP H H 8.450 0.02 1 1358 150 150 ASP HA H 5.291 0.02 1 1359 150 150 ASP HB2 H 3.192 0.02 2 1360 150 150 ASP HB3 H 2.208 0.02 2 1361 150 150 ASP C C 177.341 0.3 1 1362 150 150 ASP CA C 51.782 0.3 1 1363 150 150 ASP CB C 41.238 0.3 1 1364 150 150 ASP N N 122.009 0.3 1 1365 151 151 PHE H H 8.630 0.02 1 1366 151 151 PHE HA H 4.048 0.02 1 1367 151 151 PHE HB2 H 2.980 0.02 2 1368 151 151 PHE HB3 H 2.963 0.02 2 1369 151 151 PHE HD1 H 7.098 0.02 3 1370 151 151 PHE HD2 H 7.098 0.02 3 1371 151 151 PHE HE1 H 5.927 0.02 3 1372 151 151 PHE HE2 H 5.927 0.02 3 1373 151 151 PHE HZ H 6.148 0.02 1 1374 151 151 PHE C C 177.214 0.3 1 1375 151 151 PHE CA C 62.238 0.3 1 1376 151 151 PHE CB C 38.818 0.3 1 1377 151 151 PHE CD1 C 131.497 0.3 3 1378 151 151 PHE CD2 C 131.497 0.3 3 1379 151 151 PHE CE1 C 130.501 0.3 3 1380 151 151 PHE CE2 C 130.501 0.3 3 1381 151 151 PHE CZ C 128.551 0.3 1 1382 151 151 PHE N N 121.387 0.3 1 1383 152 152 ASN H H 8.891 0.02 1 1384 152 152 ASN HA H 4.385 0.02 1 1385 152 152 ASN HB2 H 3.509 0.02 2 1386 152 152 ASN HB3 H 2.338 0.02 2 1387 152 152 ASN C C 176.308 0.3 1 1388 152 152 ASN CA C 56.645 0.3 1 1389 152 152 ASN CB C 38.579 0.3 1 1390 152 152 ASN N N 114.732 0.3 1 1391 153 153 LEU H H 8.332 0.02 1 1392 153 153 LEU HA H 4.518 0.02 1 1393 153 153 LEU HB2 H 1.931 0.02 2 1394 153 153 LEU HB3 H 2.048 0.02 2 1395 153 153 LEU HD1 H 0.595 0.02 2 1396 153 153 LEU HD2 H 0.967 0.02 2 1397 153 153 LEU C C 176.727 0.3 1 1398 153 153 LEU CA C 54.892 0.3 1 1399 153 153 LEU CB C 41.637 0.3 1 1400 153 153 LEU CD1 C 22.945 0.3 2 1401 153 153 LEU CD2 C 25.950 0.3 2 1402 153 153 LEU N N 119.972 0.3 1 1403 154 154 ALA H H 7.813 0.02 1 1404 154 154 ALA HA H 5.239 0.02 1 1405 154 154 ALA HB H 1.908 0.02 1 1406 154 154 ALA C C 178.596 0.3 1 1407 154 154 ALA CA C 53.826 0.3 1 1408 154 154 ALA CB C 19.687 0.3 1 1409 154 154 ALA N N 125.919 0.3 1 1410 155 155 TYR H H 9.767 0.02 1 1411 155 155 TYR HA H 5.702 0.02 1 1412 155 155 TYR HD1 H 7.459 0.02 3 1413 155 155 TYR HD2 H 7.459 0.02 3 1414 155 155 TYR C C 172.694 0.3 1 1415 155 155 TYR CA C 55.171 0.3 1 1416 155 155 TYR CB C 42.435 0.3 1 1417 155 155 TYR N N 122.547 0.3 1 1418 157 157 PRO C C 178.481 0.3 1 1419 157 157 PRO CA C 61.910 0.3 1 1420 157 157 PRO CB C 31.691 0.3 1 1421 158 158 PHE H H 9.159 0.02 1 1422 158 158 PHE HA H 4.286 0.02 1 1423 158 158 PHE HB2 H 2.587 0.02 2 1424 158 158 PHE HB3 H 2.442 0.02 2 1425 158 158 PHE HD1 H 7.075 0.02 3 1426 158 158 PHE HD2 H 7.075 0.02 3 1427 158 158 PHE HE1 H 7.511 0.02 3 1428 158 158 PHE HE2 H 7.511 0.02 3 1429 158 158 PHE HZ H 7.319 0.02 1 1430 158 158 PHE C C 177.555 0.3 1 1431 158 158 PHE CA C 57.149 0.3 1 1432 158 158 PHE CB C 36.116 0.3 1 1433 158 158 PHE CD1 C 129.764 0.3 3 1434 158 158 PHE CD2 C 129.764 0.3 3 1435 158 158 PHE CE1 C 131.459 0.3 3 1436 158 158 PHE CE2 C 131.459 0.3 3 1437 158 158 PHE CZ C 129.233 0.3 1 1438 158 158 PHE N N 120.018 0.3 1 1439 159 159 CYS H H 7.587 0.02 1 1440 159 159 CYS HA H 4.724 0.02 1 1441 159 159 CYS HB2 H 3.683 0.02 2 1442 159 159 CYS HB3 H 3.070 0.02 2 1443 159 159 CYS C C 175.046 0.3 1 1444 159 159 CYS CA C 58.543 0.3 1 1445 159 159 CYS CB C 27.389 0.3 1 1446 159 159 CYS N N 115.368 0.3 1 1447 160 160 ALA H H 8.045 0.02 1 1448 160 160 ALA HA H 3.813 0.02 1 1449 160 160 ALA HB H 0.100 0.02 1 1450 160 160 ALA C C 177.875 0.3 1 1451 160 160 ALA CA C 54.117 0.3 1 1452 160 160 ALA CB C 17.891 0.3 1 1453 160 160 ALA N N 125.400 0.3 1 1454 161 161 TYR H H 6.675 0.02 1 1455 161 161 TYR HA H 4.902 0.02 1 1456 161 161 TYR HB2 H 3.394 0.02 2 1457 161 161 TYR HB3 H 2.818 0.02 2 1458 161 161 TYR HD1 H 6.750 0.02 3 1459 161 161 TYR HD2 H 6.750 0.02 3 1460 161 161 TYR HE1 H 6.702 0.02 3 1461 161 161 TYR HE2 H 6.702 0.02 3 1462 161 161 TYR C C 175.990 0.3 1 1463 161 161 TYR CA C 55.290 0.3 1 1464 161 161 TYR CB C 37.639 0.3 1 1465 161 161 TYR CD1 C 131.878 0.3 3 1466 161 161 TYR CD2 C 131.878 0.3 3 1467 161 161 TYR CE1 C 117.598 0.3 3 1468 161 161 TYR CE2 C 117.598 0.3 3 1469 161 161 TYR N N 114.287 0.3 1 1470 162 162 GLY H H 7.386 0.02 1 1471 162 162 GLY HA2 H 4.453 0.02 2 1472 162 162 GLY HA3 H 3.842 0.02 2 1473 162 162 GLY C C 175.209 0.3 1 1474 162 162 GLY CA C 45.409 0.3 1 1475 162 162 GLY N N 104.573 0.3 1 1476 163 163 GLY H H 9.211 0.02 1 1477 163 163 GLY HA2 H 4.288 0.02 2 1478 163 163 GLY HA3 H 3.852 0.02 2 1479 163 163 GLY C C 174.377 0.3 1 1480 163 163 GLY CA C 44.697 0.3 1 1481 163 163 GLY N N 109.907 0.3 1 1482 164 164 SER H H 8.401 0.02 1 1483 164 164 SER HA H 4.438 0.02 1 1484 164 164 SER HB2 H 3.709 0.02 2 1485 164 164 SER HB3 H 3.709 0.02 2 1486 164 164 SER C C 173.645 0.3 1 1487 164 164 SER CA C 57.639 0.3 1 1488 164 164 SER CB C 62.514 0.3 1 1489 164 164 SER N N 115.972 0.3 1 1490 165 165 PHE H H 7.540 0.02 1 1491 165 165 PHE HA H 4.476 0.02 1 1492 165 165 PHE HB2 H 3.207 0.02 2 1493 165 165 PHE HB3 H 2.395 0.02 2 1494 165 165 PHE HD1 H 7.212 0.02 3 1495 165 165 PHE HD2 H 7.212 0.02 3 1496 165 165 PHE C C 174.829 0.3 1 1497 165 165 PHE CA C 57.548 0.3 1 1498 165 165 PHE CB C 42.264 0.3 1 1499 165 165 PHE N N 121.535 0.3 1 1500 166 166 SER H H 8.995 0.02 1 1501 166 166 SER HA H 4.475 0.02 1 1502 166 166 SER HB2 H 3.712 0.02 2 1503 166 166 SER HB3 H 3.712 0.02 2 1504 166 166 SER C C 174.999 0.3 1 1505 166 166 SER CA C 57.474 0.3 1 1506 166 166 SER CB C 62.653 0.3 1 1507 166 166 SER N N 118.655 0.3 1 1508 167 167 CYS H H 8.369 0.02 1 1509 167 167 CYS HA H 4.964 0.02 1 1510 167 167 CYS HB2 H 3.718 0.02 2 1511 167 167 CYS HB3 H 2.639 0.02 2 1512 167 167 CYS C C 173.386 0.3 1 1513 167 167 CYS CA C 58.105 0.3 1 1514 167 167 CYS CB C 31.219 0.3 1 1515 167 167 CYS N N 126.112 0.3 1 1516 168 168 ALA H H 8.507 0.02 1 1517 168 168 ALA HA H 4.592 0.02 1 1518 168 168 ALA HB H 1.334 0.02 1 1519 168 168 ALA C C 177.561 0.3 1 1520 168 168 ALA CA C 52.499 0.3 1 1521 168 168 ALA CB C 19.155 0.3 1 1522 168 168 ALA N N 125.519 0.3 1 1523 169 169 LEU H H 9.103 0.02 1 1524 169 169 LEU HA H 4.885 0.02 1 1525 169 169 LEU HD1 H 0.730 0.02 2 1526 169 169 LEU HD2 H 0.621 0.02 2 1527 169 169 LEU CA C 51.526 0.3 1 1528 169 169 LEU CB C 41.388 0.3 1 1529 169 169 LEU CD1 C 23.924 0.3 2 1530 169 169 LEU CD2 C 25.186 0.3 2 1531 169 169 LEU N N 123.761 0.3 1 1532 171 171 PRO HA H 4.770 0.02 1 1533 171 171 PRO HB2 H 2.420 0.02 2 1534 171 171 PRO HB3 H 2.420 0.02 2 1535 171 171 PRO HG2 H 2.311 0.02 2 1536 171 171 PRO HG3 H 2.202 0.02 2 1537 171 171 PRO C C 178.541 0.3 1 1538 171 171 PRO CA C 62.160 0.3 1 1539 171 171 PRO CB C 32.273 0.3 1 1540 171 171 PRO CG C 27.538 0.3 1 1541 172 172 ALA H H 9.181 0.02 1 1542 172 172 ALA HA H 4.081 0.02 1 1543 172 172 ALA HB H 1.500 0.02 1 1544 172 172 ALA C C 179.132 0.3 1 1545 172 172 ALA CA C 55.268 0.3 1 1546 172 172 ALA CB C 18.211 0.3 1 1547 172 172 ALA N N 126.818 0.3 1 1548 173 173 ASP H H 8.601 0.02 1 1549 173 173 ASP HA H 4.702 0.02 1 1550 173 173 ASP HB2 H 2.866 0.02 2 1551 173 173 ASP HB3 H 2.761 0.02 2 1552 173 173 ASP C C 176.546 0.3 1 1553 173 173 ASP CA C 54.788 0.3 1 1554 173 173 ASP CB C 39.597 0.3 1 1555 173 173 ASP N N 111.412 0.3 1 1556 174 174 ASN H H 7.972 0.02 1 1557 174 174 ASN HA H 5.402 0.02 1 1558 174 174 ASN HB2 H 4.267 0.02 2 1559 174 174 ASN HB3 H 2.794 0.02 2 1560 174 174 ASN C C 173.195 0.3 1 1561 174 174 ASN CA C 51.340 0.3 1 1562 174 174 ASN CB C 37.185 0.3 1 1563 174 174 ASN N N 121.056 0.3 1 1564 175 175 HIS H H 7.258 0.02 1 1565 175 175 HIS HA H 5.306 0.02 1 1566 175 175 HIS HB2 H 3.068 0.02 2 1567 175 175 HIS HB3 H 3.073 0.02 2 1568 175 175 HIS HD2 H 7.060 0.02 1 1569 175 175 HIS C C 175.188 0.3 1 1570 175 175 HIS CA C 55.309 0.3 1 1571 175 175 HIS CB C 30.408 0.3 1 1572 175 175 HIS N N 116.478 0.3 1 1573 176 176 VAL H H 9.010 0.02 1 1574 176 176 VAL HA H 4.290 0.02 1 1575 176 176 VAL HB H 2.028 0.02 1 1576 176 176 VAL HG1 H 0.978 0.02 2 1577 176 176 VAL HG2 H 0.184 0.02 2 1578 176 176 VAL CA C 59.017 0.3 1 1579 176 176 VAL CB C 32.976 0.3 1 1580 176 176 VAL CG1 C 21.582 0.3 2 1581 176 176 VAL CG2 C 19.868 0.3 2 1582 176 176 VAL N N 131.722 0.3 1 1583 177 177 PRO HA H 4.762 0.02 1 1584 177 177 PRO C C 173.896 0.3 1 1585 177 177 PRO CA C 62.058 0.3 1 1586 178 178 ALA H H 9.035 0.02 1 1587 178 178 ALA HA H 4.385 0.02 1 1588 178 178 ALA HB H 1.046 0.02 1 1589 178 178 ALA C C 175.753 0.3 1 1590 178 178 ALA CA C 51.124 0.3 1 1591 178 178 ALA CB C 21.881 0.3 1 1592 178 178 ALA N N 125.109 0.3 1 1593 179 179 ALA H H 8.964 0.02 1 1594 179 179 ALA HA H 4.410 0.02 1 1595 179 179 ALA HB H 1.290 0.02 1 1596 179 179 ALA C C 175.416 0.3 1 1597 179 179 ALA CA C 51.999 0.3 1 1598 179 179 ALA CB C 17.619 0.3 1 1599 179 179 ALA N N 124.831 0.3 1 1600 180 180 ILE H H 8.476 0.02 1 1601 180 180 ILE HA H 3.542 0.02 1 1602 180 180 ILE HB H 1.556 0.02 1 1603 180 180 ILE HG12 H 1.071 0.02 2 1604 180 180 ILE HG13 H 0.450 0.02 2 1605 180 180 ILE HG2 H 0.257 0.02 1 1606 180 180 ILE HD1 H -0.070 0.02 1 1607 180 180 ILE C C 174.575 0.3 1 1608 180 180 ILE CA C 59.517 0.3 1 1609 180 180 ILE CB C 34.182 0.3 1 1610 180 180 ILE CG1 C 26.408 0.3 1 1611 180 180 ILE CG2 C 17.339 0.3 1 1612 180 180 ILE CD1 C 11.309 0.3 1 1613 180 180 ILE N N 129.550 0.3 1 1614 181 181 THR H H 6.254 0.02 1 1615 181 181 THR HA H 2.219 0.02 1 1616 181 181 THR HB H 3.590 0.02 1 1617 181 181 THR HG2 H 0.565 0.02 1 1618 181 181 THR C C 171.920 0.3 1 1619 181 181 THR CA C 56.989 0.3 1 1620 181 181 THR CB C 65.594 0.3 1 1621 181 181 THR CG2 C 20.672 0.3 1 1622 181 181 THR N N 118.182 0.3 1 1623 182 182 ALA H H 7.213 0.02 1 1624 182 182 ALA HA H 4.416 0.02 1 1625 182 182 ALA HB H 0.679 0.02 1 1626 182 182 ALA C C 175.663 0.3 1 1627 182 182 ALA CA C 50.198 0.3 1 1628 182 182 ALA CB C 22.361 0.3 1 1629 182 182 ALA N N 121.264 0.3 1 1630 183 183 GLY H H 9.710 0.02 1 1631 183 183 GLY HA2 H 3.890 0.02 2 1632 183 183 GLY HA3 H 3.890 0.02 2 1633 183 183 GLY C C 173.027 0.3 1 1634 183 183 GLY CA C 44.871 0.3 1 1635 183 183 GLY N N 109.083 0.3 1 1636 184 184 GLU HA H 4.206 0.02 1 1637 184 184 GLU CA C 58.404 0.3 1 1638 184 184 GLU CB C 31.875 0.3 1 1639 185 185 ARG H H 8.825 0.02 1 1640 185 185 ARG C C 172.831 0.3 1 1641 185 185 ARG CA C 54.040 0.3 1 1642 185 185 ARG CB C 32.584 0.3 1 1643 185 185 ARG N N 126.670 0.3 1 1644 186 186 VAL H H 7.365 0.02 1 1645 186 186 VAL HA H 4.561 0.02 1 1646 186 186 VAL HB H 2.142 0.02 1 1647 186 186 VAL HG1 H 0.952 0.02 2 1648 186 186 VAL HG2 H 0.584 0.02 2 1649 186 186 VAL C C 175.225 0.3 1 1650 186 186 VAL CA C 59.757 0.3 1 1651 186 186 VAL CB C 34.379 0.3 1 1652 186 186 VAL CG1 C 21.507 0.3 2 1653 186 186 VAL CG2 C 18.556 0.3 2 1654 186 186 VAL N N 110.180 0.3 1 1655 187 187 ASP H H 8.665 0.02 1 1656 187 187 ASP HA H 4.588 0.02 1 1657 187 187 ASP HB2 H 2.740 0.02 2 1658 187 187 ASP HB3 H 2.471 0.02 2 1659 187 187 ASP C C 175.728 0.3 1 1660 187 187 ASP CA C 53.962 0.3 1 1661 187 187 ASP CB C 41.642 0.3 1 1662 187 187 ASP N N 122.178 0.3 1 1663 188 188 ALA H H 8.416 0.02 1 1664 188 188 ALA HA H 4.258 0.02 1 1665 188 188 ALA HB H 1.347 0.02 1 1666 188 188 ALA C C 177.492 0.3 1 1667 188 188 ALA CA C 52.773 0.3 1 1668 188 188 ALA CB C 19.473 0.3 1 1669 188 188 ALA N N 126.218 0.3 1 1670 189 189 ASP H H 8.460 0.02 1 1671 189 189 ASP HA H 4.586 0.02 1 1672 189 189 ASP HB2 H 2.733 0.02 2 1673 189 189 ASP HB3 H 2.733 0.02 2 1674 189 189 ASP C C 176.670 0.3 1 1675 189 189 ASP CA C 54.414 0.3 1 1676 189 189 ASP CB C 40.798 0.3 1 1677 189 189 ASP N N 119.417 0.3 1 1678 190 190 LEU H H 8.116 0.02 1 1679 190 190 LEU HA H 4.193 0.02 1 1680 190 190 LEU HB2 H 1.643 0.02 2 1681 190 190 LEU HB3 H 1.570 0.02 2 1682 190 190 LEU HG H 1.603 0.02 1 1683 190 190 LEU HD1 H 0.925 0.02 2 1684 190 190 LEU HD2 H 0.850 0.02 2 1685 190 190 LEU C C 177.898 0.3 1 1686 190 190 LEU CA C 55.810 0.3 1 1687 190 190 LEU CB C 42.056 0.3 1 1688 190 190 LEU CG C 26.953 0.3 1 1689 190 190 LEU CD1 C 25.038 0.3 2 1690 190 190 LEU CD2 C 23.361 0.3 2 1691 190 190 LEU N N 122.238 0.3 1 1692 191 191 GLU H H 8.226 0.02 1 1693 191 191 GLU HA H 4.114 0.02 1 1694 191 191 GLU HB2 H 1.875 0.02 2 1695 191 191 GLU HB3 H 1.875 0.02 2 1696 191 191 GLU HG2 H 2.195 0.02 2 1697 191 191 GLU HG3 H 2.106 0.02 2 1698 191 191 GLU C C 176.524 0.3 1 1699 191 191 GLU CA C 57.050 0.3 1 1700 191 191 GLU CB C 29.934 0.3 1 1701 191 191 GLU CG C 36.257 0.3 1 1702 191 191 GLU N N 119.649 0.3 1 stop_ save_