data_17530 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli, Northeast Structural Genomics Consortium Target ReR242 ; _BMRB_accession_number 17530 _BMRB_flat_file_name bmr17530.str _Entry_type original _Submission_date 2011-03-16 _Accession_date 2011-03-16 _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 Yang Yunhuang . . 2 Ramelot Theresa A. . 3 Cort John R. . 4 Wang Dongyan . . 5 Ciccosanti Colleen . . 6 Janjua Haleema . . 7 Rost Nair B. . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Montelione Gaetano T. . 12 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 849 "13C chemical shifts" 639 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-11 original author . stop_ _Original_release_date 2011-04-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of the AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli, Northeast Structural Genomics Consortium Target ReR242' _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 Yang Yunhuang . . 2 Ramelot Theresa A. . 3 Cort John R. . 4 Wang Dongyan . . 5 Ciccosanti Colleen . . 6 Janjua Haleema . . 7 Rost Nair B. . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Montelione Gaetano T. . 12 Kennedy Michael A. . stop_ _Journal_abbreviation 'Not known' _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 'AHSA1-like protein RHE_CH02687 (1-152)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AHSA1-like protein RHE_CH02687 (1-152)' $AHSA1-like_protein_RHE_CH02687_(1-152)_from_Rhizobium_etli 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_AHSA1-like_protein_RHE_CH02687_(1-152)_from_Rhizobium_etli _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AHSA1-like_protein_RHE_CH02687_(1-152)_from_Rhizobium_etli _Molecular_mass 17575.8 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; MEKAMPESFVVRREAHLAAP PAAVFALMTDPEKILRWMGT EAEVEPEPGGLYLVNVTGAR FARGSFREVVPVHRLAYSFG WDGSEVVPPGSSLVEIDLIE QGGGTLLRLTHSGLPSAEQC AGHEEGWAHYLGRLTEVAAG RDPGPDPFYGRRLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LYS 4 ALA 5 MET 6 PRO 7 GLU 8 SER 9 PHE 10 VAL 11 VAL 12 ARG 13 ARG 14 GLU 15 ALA 16 HIS 17 LEU 18 ALA 19 ALA 20 PRO 21 PRO 22 ALA 23 ALA 24 VAL 25 PHE 26 ALA 27 LEU 28 MET 29 THR 30 ASP 31 PRO 32 GLU 33 LYS 34 ILE 35 LEU 36 ARG 37 TRP 38 MET 39 GLY 40 THR 41 GLU 42 ALA 43 GLU 44 VAL 45 GLU 46 PRO 47 GLU 48 PRO 49 GLY 50 GLY 51 LEU 52 TYR 53 LEU 54 VAL 55 ASN 56 VAL 57 THR 58 GLY 59 ALA 60 ARG 61 PHE 62 ALA 63 ARG 64 GLY 65 SER 66 PHE 67 ARG 68 GLU 69 VAL 70 VAL 71 PRO 72 VAL 73 HIS 74 ARG 75 LEU 76 ALA 77 TYR 78 SER 79 PHE 80 GLY 81 TRP 82 ASP 83 GLY 84 SER 85 GLU 86 VAL 87 VAL 88 PRO 89 PRO 90 GLY 91 SER 92 SER 93 LEU 94 VAL 95 GLU 96 ILE 97 ASP 98 LEU 99 ILE 100 GLU 101 GLN 102 GLY 103 GLY 104 GLY 105 THR 106 LEU 107 LEU 108 ARG 109 LEU 110 THR 111 HIS 112 SER 113 GLY 114 LEU 115 PRO 116 SER 117 ALA 118 GLU 119 GLN 120 CYS 121 ALA 122 GLY 123 HIS 124 GLU 125 GLU 126 GLY 127 TRP 128 ALA 129 HIS 130 TYR 131 LEU 132 GLY 133 ARG 134 LEU 135 THR 136 GLU 137 VAL 138 ALA 139 ALA 140 GLY 141 ARG 142 ASP 143 PRO 144 GLY 145 PRO 146 ASP 147 PRO 148 PHE 149 TYR 150 GLY 151 ARG 152 ARG 153 LEU 154 GLU 155 HIS 156 HIS 157 HIS 158 HIS 159 HIS 160 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2LAK "Solution Nmr Structure Of The Ahsa1-Like Protein Rhe_ch02687 (1-152) From Rhizobium Etli, Northeast Structural Genomics Consort" 100.00 160 100.00 100.00 6.54e-110 GB ABC91458 "hypothetical conserved protein [Rhizobium etli CFN 42]" 95.00 152 100.00 100.00 2.03e-103 GB AGS22491 "activator of Hsp90 ATPase 1 family protein [Rhizobium etli bv. mimosae str. Mim1]" 95.00 152 100.00 100.00 2.03e-103 REF WP_041678693 "transcriptional regulator [Rhizobium etli]" 92.50 148 100.00 100.00 2.09e-100 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 $AHSA1-like_protein_RHE_CH02687_(1-152)_from_Rhizobium_etli 'Rhizobium etli' 29449 Bacteria . Rhizobium etli RHE_CH02687 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 _Details $AHSA1-like_protein_RHE_CH02687_(1-152)_from_Rhizobium_etli 'recombinant technology' . Escherichia coli 'BL21(DE3) pMGK' 'pET 21-23C' 'C-tag sequence: LEHHHHHH' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AHSA1-like_protein_RHE_CH02687_(1-152)_from_Rhizobium_etli 0.72 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 mM 'natural abundance' DTT 10 mM 'natural abundance' stop_ save_ save_NC5_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AHSA1-like_protein_RHE_CH02687_(1-152)_from_Rhizobium_etli 0.76 mM '[U-5% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 mM 'natural abundance' stop_ save_ save_NC_sample_in_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AHSA1-like_protein_RHE_CH02687_(1-152)_from_Rhizobium_etli 0.72 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2008 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1.4 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.25 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details 'water refinement' save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.30 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PDBSTAT _Saveframe_category software _Name PDBStat _Version 5.1 loop_ _Vendor _Address _Electronic_address '(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_PINE_Server _Saveframe_category software _Name PINE _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift autoassignment' stop_ _Details 'chemical shift autoassignment server' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_850 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $NC_sample save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC_sample_in_D2O save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC_sample_in_D2O save_ save_2D_1H-13C_HSQC-CT_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC-CT' _Sample_label $NC5_sample save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NC5_sample save_ save_3D_1H-13C_NOESY_aliph_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY_aliph' _Sample_label $NC_sample save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC_sample save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC_sample save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC_sample save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NC_sample save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $NC_sample save_ save_3D_HBHA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NC_sample save_ save_3D_H(CCO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $NC_sample save_ save_3D_C(CCO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CCO)NH' _Sample_label $NC_sample save_ save_3D_HCCH-COSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $NC_sample save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NC_sample save_ save_3D_CCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $NC_sample_in_D2O save_ save_4D_CC-NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _Sample_label $NC_sample_in_D2O save_ save_2D_1H-13C_HSQC-aromatic_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC-aromatic' _Sample_label $NC_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 0.02 M pH 6.5 0.1 pH pressure 1 . atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC-CT' stop_ loop_ _Sample_label $NC_sample $NC5_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'AHSA1-like protein RHE_CH02687 (1-152)' _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 2 2 GLU HA H 4.37 0.02 1 2 2 2 GLU HB2 H 1.93 0.02 2 3 2 2 GLU HB3 H 2.07 0.02 2 4 2 2 GLU HG2 H 2.29 0.02 2 5 2 2 GLU HG3 H 2.29 0.02 2 6 2 2 GLU C C 175.9 0.2 1 7 2 2 GLU CA C 56.5 0.2 1 8 2 2 GLU CB C 30.5 0.2 1 9 2 2 GLU CG C 36.1 0.2 1 10 3 3 LYS H H 8.46 0.02 1 11 3 3 LYS HA H 4.30 0.02 1 12 3 3 LYS HB2 H 1.75 0.02 2 13 3 3 LYS HB3 H 1.83 0.02 2 14 3 3 LYS HG2 H 1.45 0.02 2 15 3 3 LYS HG3 H 1.45 0.02 2 16 3 3 LYS HD2 H 1.46 0.02 2 17 3 3 LYS HD3 H 1.7 0.02 2 18 3 3 LYS HE2 H 3.03 0.02 2 19 3 3 LYS HE3 H 3.03 0.02 2 20 3 3 LYS C C 175.9 0.2 1 21 3 3 LYS CA C 56.3 0.2 1 22 3 3 LYS CB C 33.3 0.2 1 23 3 3 LYS CG C 24.8 0.2 1 24 3 3 LYS CD C 29.3 0.2 1 25 3 3 LYS CE C 42.2 0.2 1 26 3 3 LYS N N 122.9 0.2 1 27 4 4 ALA H H 8.39 0.02 1 28 4 4 ALA HA H 4.32 0.02 1 29 4 4 ALA HB H 1.39 0.02 1 30 4 4 ALA C C 177.4 0.2 1 31 4 4 ALA CA C 52.4 0.2 1 32 4 4 ALA CB C 19.4 0.2 1 33 4 4 ALA N N 125.8 0.2 1 34 5 5 MET H H 8.37 0.02 1 35 5 5 MET HA H 4.81 0.02 1 36 5 5 MET HB2 H 2.59 0.02 2 37 5 5 MET HB3 H 2.68 0.02 2 38 5 5 MET HG2 H 1.96 0.02 2 39 5 5 MET HG3 H 2.09 0.02 2 40 5 5 MET CA C 53.4 0.2 1 41 5 5 MET CB C 32.3 0.2 1 42 5 5 MET CG C 32.2 0.2 1 43 5 5 MET N N 121.1 0.2 1 44 6 6 PRO HA H 4.4 0.02 1 45 6 6 PRO HB2 H 2.32 0.02 2 46 6 6 PRO HB3 H 1.9 0.02 2 47 6 6 PRO HG2 H 2.03 0.02 2 48 6 6 PRO HG3 H 2.03 0.02 2 49 6 6 PRO HD2 H 3.85 0.02 2 50 6 6 PRO HD3 H 3.71 0.02 2 51 6 6 PRO C C 176.8 0.2 1 52 6 6 PRO CA C 63.3 0.2 1 53 6 6 PRO CB C 32.2 0.2 1 54 6 6 PRO CG C 27.5 0.2 1 55 6 6 PRO CD C 50.8 0.2 1 56 7 7 GLU H H 8.5 0.02 1 57 7 7 GLU HA H 4.2 0.02 1 58 7 7 GLU HB2 H 1.9 0.02 2 59 7 7 GLU HB3 H 1.93 0.02 2 60 7 7 GLU HG2 H 2.16 0.02 2 61 7 7 GLU HG3 H 2.23 0.02 2 62 7 7 GLU C C 175.7 0.2 1 63 7 7 GLU CA C 56.7 0.2 1 64 7 7 GLU CB C 30.6 0.2 1 65 7 7 GLU CG C 36.3 0.2 1 66 7 7 GLU N N 120.8 0.2 1 67 8 8 SER H H 7.98 0.02 1 68 8 8 SER HA H 4.42 0.02 1 69 8 8 SER HB2 H 3.66 0.02 2 70 8 8 SER HB3 H 3.66 0.02 2 71 8 8 SER C C 173.3 0.2 1 72 8 8 SER CA C 57.8 0.2 1 73 8 8 SER CB C 64.3 0.2 1 74 8 8 SER N N 115.3 0.2 1 75 9 9 PHE H H 8.58 0.02 1 76 9 9 PHE HA H 4.78 0.02 1 77 9 9 PHE HB2 H 2.76 0.02 2 78 9 9 PHE HB3 H 3.01 0.02 2 79 9 9 PHE HD1 H 7.18 0.02 3 80 9 9 PHE HD2 H 7.18 0.02 3 81 9 9 PHE HE1 H 7.28 0.02 3 82 9 9 PHE HE2 H 7.28 0.02 3 83 9 9 PHE HZ H 7.01 0.02 1 84 9 9 PHE C C 174.8 0.2 1 85 9 9 PHE CA C 57.3 0.2 1 86 9 9 PHE CB C 39.7 0.2 1 87 9 9 PHE CD1 C 131.5 0.2 3 88 9 9 PHE CD2 C 131.5 0.2 3 89 9 9 PHE CE1 C 130.2 0.2 3 90 9 9 PHE CE2 C 130.2 0.2 3 91 9 9 PHE CZ C 129.3 0.2 1 92 9 9 PHE N N 122.4 0.2 1 93 10 10 VAL H H 8.29 0.02 1 94 10 10 VAL HA H 4.80 0.02 1 95 10 10 VAL HB H 1.89 0.02 1 96 10 10 VAL HG1 H 0.79 0.02 2 97 10 10 VAL HG2 H 0.87 0.02 2 98 10 10 VAL C C 175.3 0.2 1 99 10 10 VAL CA C 61 0.2 1 100 10 10 VAL CB C 35.7 0.2 1 101 10 10 VAL CG1 C 21.9 0.2 2 102 10 10 VAL CG2 C 22.1 0.2 2 103 10 10 VAL N N 121.7 0.2 1 104 11 11 VAL H H 8.96 0.02 1 105 11 11 VAL HA H 4.22 0.02 1 106 11 11 VAL HB H 2.21 0.02 1 107 11 11 VAL HG1 H 0.91 0.02 2 108 11 11 VAL HG2 H 1.21 0.02 2 109 11 11 VAL C C 174.6 0.2 1 110 11 11 VAL CA C 61.6 0.2 1 111 11 11 VAL CB C 34 0.2 1 112 11 11 VAL CG1 C 21.2 0.2 2 113 11 11 VAL CG2 C 23.2 0.2 2 114 11 11 VAL N N 128.1 0.2 1 115 12 12 ARG H H 8.82 0.02 1 116 12 12 ARG HA H 5.38 0.02 1 117 12 12 ARG HB2 H 1.63 0.02 2 118 12 12 ARG HB3 H 1.73 0.02 2 119 12 12 ARG HG2 H 1.55 0.02 2 120 12 12 ARG HG3 H 1.62 0.02 2 121 12 12 ARG HD2 H 3.13 0.02 2 122 12 12 ARG HD3 H 3.13 0.02 2 123 12 12 ARG HE H 7.26 0.02 1 124 12 12 ARG C C 175.9 0.2 1 125 12 12 ARG CA C 54.8 0.2 1 126 12 12 ARG CB C 32.7 0.2 1 127 12 12 ARG CG C 28.8 0.2 1 128 12 12 ARG CD C 43.4 0.2 1 129 12 12 ARG N N 127 0.2 1 130 12 12 ARG NE N 85.3 0.2 1 131 13 13 ARG H H 8.56 0.02 1 132 13 13 ARG HA H 4.75 0.02 1 133 13 13 ARG HB2 H 1.41 0.02 2 134 13 13 ARG HB3 H 1.79 0.02 2 135 13 13 ARG HG2 H 1.51 0.02 2 136 13 13 ARG HG3 H 1.61 0.02 2 137 13 13 ARG HD2 H 3.15 0.02 2 138 13 13 ARG HD3 H 3.53 0.02 2 139 13 13 ARG HE H 7.73 0.02 1 140 13 13 ARG C C 174 0.2 1 141 13 13 ARG CA C 54 0.2 1 142 13 13 ARG CB C 35.6 0.2 1 143 13 13 ARG CG C 27.3 0.2 1 144 13 13 ARG CD C 42.8 0.2 1 145 13 13 ARG N N 120.4 0.2 1 146 13 13 ARG NE N 82.0 0.2 1 147 14 14 GLU H H 8.56 0.02 1 148 14 14 GLU HA H 5.53 0.02 1 149 14 14 GLU HB2 H 1.87 0.02 2 150 14 14 GLU HB3 H 1.87 0.02 2 151 14 14 GLU HG2 H 2.14 0.02 2 152 14 14 GLU HG3 H 2.21 0.02 2 153 14 14 GLU C C 175.7 0.2 1 154 14 14 GLU CA C 54.3 0.2 1 155 14 14 GLU CB C 33.8 0.2 1 156 14 14 GLU CG C 36.9 0.2 1 157 14 14 GLU N N 119.9 0.2 1 158 15 15 ALA H H 9.02 0.02 1 159 15 15 ALA HA H 4.7 0.02 1 160 15 15 ALA HB H 1.25 0.02 1 161 15 15 ALA C C 174.4 0.2 1 162 15 15 ALA CA C 51.4 0.2 1 163 15 15 ALA CB C 22.4 0.2 1 164 15 15 ALA N N 123.6 0.2 1 165 16 16 HIS H H 8.81 0.02 1 166 16 16 HIS HA H 5.17 0.02 1 167 16 16 HIS HB2 H 3.04 0.02 2 168 16 16 HIS HB3 H 3.1 0.02 2 169 16 16 HIS HD2 H 7.09 0.02 1 170 16 16 HIS HE1 H 8.16 0.02 1 171 16 16 HIS C C 174.1 0.2 1 172 16 16 HIS CA C 55.7 0.2 1 173 16 16 HIS CB C 30.3 0.2 1 174 16 16 HIS CD2 C 120.3 0.2 1 175 16 16 HIS CE1 C 137.5 0.2 1 176 16 16 HIS N N 121.4 0.2 1 177 16 16 HIS ND1 N 197.9 0.2 1 178 16 16 HIS NE2 N 177.7 0.2 1 179 17 17 LEU H H 9.23 0.02 1 180 17 17 LEU HA H 5.07 0.02 1 181 17 17 LEU HB2 H 1.22 0.02 2 182 17 17 LEU HB3 H 1.63 0.02 2 183 17 17 LEU HG H 0.69 0.02 1 184 17 17 LEU HD1 H 0.70 0.02 2 185 17 17 LEU HD2 H 0.71 0.02 2 186 17 17 LEU C C 176.9 0.2 1 187 17 17 LEU CA C 53.5 0.2 1 188 17 17 LEU CB C 44.2 0.2 1 189 17 17 LEU CG C 27.2 0.2 1 190 17 17 LEU CD1 C 28.0 0.2 2 191 17 17 LEU CD2 C 27.1 0.2 2 192 17 17 LEU N N 125.1 0.2 1 193 18 18 ALA H H 9.32 0.02 1 194 18 18 ALA HA H 4.44 0.02 1 195 18 18 ALA HB H 1.38 0.02 1 196 18 18 ALA C C 175.6 0.2 1 197 18 18 ALA CA C 52.1 0.2 1 198 18 18 ALA CB C 18 0.2 1 199 18 18 ALA N N 127.6 0.2 1 200 19 19 ALA H H 7.07 0.02 1 201 19 19 ALA HA H 4.83 0.02 1 202 19 19 ALA HB H 1.31 0.02 1 203 19 19 ALA CA C 49.8 0.2 1 204 19 19 ALA CB C 20.3 0.2 1 205 19 19 ALA N N 118.9 0.2 1 206 20 20 PRO HA H 4.50 0.02 1 207 20 20 PRO HB2 H 2.44 0.02 2 208 20 20 PRO HB3 H 2.14 0.02 2 209 20 20 PRO HG2 H 1.99 0.02 2 210 20 20 PRO HG3 H 1.99 0.02 2 211 20 20 PRO HD2 H 3.77 0.02 2 212 20 20 PRO HD3 H 3.49 0.02 2 213 20 20 PRO CA C 61.7 0.2 1 214 20 20 PRO CB C 31.0 0.2 1 215 20 20 PRO CG C 27.5 0.2 1 216 20 20 PRO CD C 50.1 0.2 1 217 21 21 PRO HA H 4.06 0.02 1 218 21 21 PRO HB2 H 2.22 0.02 2 219 21 21 PRO HB3 H 2.22 0.02 2 220 21 21 PRO HG2 H 1.82 0.02 2 221 21 21 PRO HG3 H 2.06 0.02 2 222 21 21 PRO HD2 H 3.88 0.02 2 223 21 21 PRO HD3 H 3.67 0.02 2 224 21 21 PRO C C 177.4 0.2 1 225 21 21 PRO CA C 67.2 0.2 1 226 21 21 PRO CB C 32.1 0.2 1 227 21 21 PRO CG C 27.5 0.2 1 228 21 21 PRO CD C 50.3 0.2 1 229 22 22 ALA H H 8.97 0.02 1 230 22 22 ALA HA H 3.9 0.02 1 231 22 22 ALA HB H 1.45 0.02 1 232 22 22 ALA C C 180.4 0.2 1 233 22 22 ALA CA C 55.7 0.2 1 234 22 22 ALA CB C 18.5 0.2 1 235 22 22 ALA N N 116.4 0.2 1 236 23 23 ALA H H 7.29 0.02 1 237 23 23 ALA HA H 4.28 0.02 1 238 23 23 ALA HB H 1.57 0.02 1 239 23 23 ALA C C 180.6 0.2 1 240 23 23 ALA CA C 54.3 0.2 1 241 23 23 ALA CB C 18.8 0.2 1 242 23 23 ALA N N 119.5 0.2 1 243 24 24 VAL H H 7.66 0.02 1 244 24 24 VAL HA H 3.38 0.02 1 245 24 24 VAL HB H 2.05 0.02 1 246 24 24 VAL HG1 H 0.77 0.02 2 247 24 24 VAL HG2 H 0.77 0.02 2 248 24 24 VAL C C 176.5 0.2 1 249 24 24 VAL CA C 66.7 0.2 1 250 24 24 VAL CB C 31.5 0.2 1 251 24 24 VAL CG1 C 23.4 0.2 2 252 24 24 VAL CG2 C 24 0.2 2 253 24 24 VAL N N 119.9 0.2 1 254 25 25 PHE H H 9.46 0.02 1 255 25 25 PHE HA H 3.62 0.02 1 256 25 25 PHE HB2 H 3.02 0.02 2 257 25 25 PHE HB3 H 3.21 0.02 2 258 25 25 PHE HD1 H 7.40 0.02 3 259 25 25 PHE HD2 H 7.40 0.02 3 260 25 25 PHE HE1 H 6.87 0.02 3 261 25 25 PHE HE2 H 6.87 0.02 3 262 25 25 PHE HZ H 6.95 0.02 1 263 25 25 PHE C C 179.8 0.2 1 264 25 25 PHE CA C 62.9 0.2 1 265 25 25 PHE CB C 39.6 0.2 1 266 25 25 PHE CD1 C 133.7 0.2 3 267 25 25 PHE CD2 C 133.7 0.2 3 268 25 25 PHE CE1 C 130.7 0.2 3 269 25 25 PHE CE2 C 130.7 0.2 3 270 25 25 PHE CZ C 128.8 0.2 1 271 25 25 PHE N N 120.6 0.2 1 272 26 26 ALA H H 7.49 0.02 1 273 26 26 ALA HA H 4.13 0.02 1 274 26 26 ALA HB H 1.63 0.02 1 275 26 26 ALA C C 179.1 0.2 1 276 26 26 ALA CA C 55.6 0.2 1 277 26 26 ALA CB C 18.3 0.2 1 278 26 26 ALA N N 121.8 0.2 1 279 27 27 LEU H H 7.61 0.02 1 280 27 27 LEU HA H 4.11 0.02 1 281 27 27 LEU HB2 H 1.27 0.02 2 282 27 27 LEU HB3 H 2.13 0.02 2 283 27 27 LEU HG H 1.89 0.02 1 284 27 27 LEU HD1 H 0.69 0.02 2 285 27 27 LEU HD2 H 1.00 0.02 2 286 27 27 LEU C C 176.5 0.2 1 287 27 27 LEU CA C 57.9 0.2 1 288 27 27 LEU CB C 42.4 0.2 1 289 27 27 LEU CG C 27.7 0.2 1 290 27 27 LEU CD1 C 24.9 0.2 2 291 27 27 LEU CD2 C 24.6 0.2 2 292 27 27 LEU N N 116.7 0.2 1 293 28 28 MET H H 7.16 0.02 1 294 28 28 MET HA H 4.94 0.02 1 295 28 28 MET HB2 H 1.82 0.02 2 296 28 28 MET HB3 H 2.27 0.02 2 297 28 28 MET HG2 H 2.29 0.02 2 298 28 28 MET HG3 H 2.83 0.02 2 299 28 28 MET HE H 1.96 0.02 1 300 28 28 MET C C 176 0.2 1 301 28 28 MET CA C 56.2 0.2 1 302 28 28 MET CB C 35.6 0.2 1 303 28 28 MET CG C 32.9 0.2 1 304 28 28 MET CE C 17.8 0.2 1 305 28 28 MET N N 110.5 0.2 1 306 29 29 THR H H 7.20 0.02 1 307 29 29 THR HA H 4.41 0.02 1 308 29 29 THR HB H 3.91 0.02 1 309 29 29 THR HG2 H 0.49 0.02 1 310 29 29 THR C C 172.1 0.2 1 311 29 29 THR CA C 61.7 0.2 1 312 29 29 THR CB C 71.8 0.2 1 313 29 29 THR CG2 C 22.5 0.2 1 314 29 29 THR N N 103.8 0.2 1 315 30 30 ASP H H 7.79 0.02 1 316 30 30 ASP HA H 5.19 0.02 1 317 30 30 ASP HB2 H 2.71 0.02 2 318 30 30 ASP HB3 H 3.02 0.02 2 319 30 30 ASP CA C 50.9 0.2 1 320 30 30 ASP CB C 42 0.2 1 321 30 30 ASP N N 122 0.2 1 322 31 31 PRO HA H 3.95 0.02 1 323 31 31 PRO HB2 H 2.16 0.02 2 324 31 31 PRO HB3 H 2.16 0.02 2 325 31 31 PRO HG2 H 2.35 0.02 2 326 31 31 PRO HG3 H 2.35 0.02 2 327 31 31 PRO HD2 H 4.14 0.02 2 328 31 31 PRO HD3 H 4.04 0.02 2 329 31 31 PRO C C 176.5 0.2 1 330 31 31 PRO CA C 65.9 0.2 1 331 31 31 PRO CB C 32.6 0.2 1 332 31 31 PRO CG C 27.8 0.2 1 333 31 31 PRO CD C 51.2 0.2 1 334 32 32 GLU H H 8.16 0.02 1 335 32 32 GLU HA H 4.05 0.02 1 336 32 32 GLU HB2 H 2.05 0.02 2 337 32 32 GLU HB3 H 2.05 0.02 2 338 32 32 GLU HG2 H 2.23 0.02 2 339 32 32 GLU HG3 H 2.39 0.02 2 340 32 32 GLU C C 178.6 0.2 1 341 32 32 GLU CA C 59 0.2 1 342 32 32 GLU CB C 29.7 0.2 1 343 32 32 GLU CG C 36.8 0.2 1 344 32 32 GLU N N 114.4 0.2 1 345 33 33 LYS H H 7.62 0.02 1 346 33 33 LYS HA H 4.13 0.02 1 347 33 33 LYS HB2 H 2.07 0.02 2 348 33 33 LYS HB3 H 2.28 0.02 2 349 33 33 LYS HG2 H 1.27 0.02 2 350 33 33 LYS HG3 H 1.55 0.02 2 351 33 33 LYS HD2 H 1.62 0.02 2 352 33 33 LYS HD3 H 1.62 0.02 2 353 33 33 LYS HE2 H 2.97 0.02 2 354 33 33 LYS HE3 H 3.06 0.02 2 355 33 33 LYS C C 178.6 0.2 1 356 33 33 LYS CA C 59 0.2 1 357 33 33 LYS CB C 34.1 0.2 1 358 33 33 LYS CG C 26.6 0.2 1 359 33 33 LYS CD C 29.3 0.2 1 360 33 33 LYS CE C 42.5 0.2 1 361 33 33 LYS N N 118.2 0.2 1 362 34 34 ILE H H 8.51 0.02 1 363 34 34 ILE HA H 3.93 0.02 1 364 34 34 ILE HB H 1.41 0.02 1 365 34 34 ILE HG12 H 0.93 0.02 2 366 34 34 ILE HG13 H 1.61 0.02 2 367 34 34 ILE HG2 H 0.41 0.02 1 368 34 34 ILE HD1 H 0.48 0.02 1 369 34 34 ILE C C 176.9 0.2 1 370 34 34 ILE CA C 64.9 0.2 1 371 34 34 ILE CB C 39.4 0.2 1 372 34 34 ILE CG1 C 29.7 0.2 1 373 34 34 ILE CG2 C 16.5 0.2 1 374 34 34 ILE CD1 C 14.5 0.2 1 375 34 34 ILE N N 122.4 0.2 1 376 35 35 LEU H H 6.80 0.02 1 377 35 35 LEU HA H 4.3 0.02 1 378 35 35 LEU HB2 H 1.44 0.02 2 379 35 35 LEU HB3 H 1.5 0.02 2 380 35 35 LEU HG H 1.83 0.02 1 381 35 35 LEU HD1 H 0.78 0.02 2 382 35 35 LEU HD2 H 0.48 0.02 2 383 35 35 LEU C C 179.2 0.2 1 384 35 35 LEU CA C 55.5 0.2 1 385 35 35 LEU CB C 41.5 0.2 1 386 35 35 LEU CG C 26.5 0.2 1 387 35 35 LEU CD1 C 25.5 0.2 2 388 35 35 LEU CD2 C 22.5 0.2 2 389 35 35 LEU N N 112.2 0.2 1 390 36 36 ARG H H 7.8 0.02 1 391 36 36 ARG HA H 4.18 0.02 1 392 36 36 ARG HB2 H 2.12 0.02 2 393 36 36 ARG HB3 H 2.23 0.02 2 394 36 36 ARG HG2 H 1.85 0.02 2 395 36 36 ARG HG3 H 2.12 0.02 2 396 36 36 ARG HD2 H 3.26 0.02 2 397 36 36 ARG HD3 H 3.26 0.02 2 398 36 36 ARG HE H 7.37 0.02 1 399 36 36 ARG C C 176.5 0.2 1 400 36 36 ARG CA C 58.2 0.2 1 401 36 36 ARG CB C 30.6 0.2 1 402 36 36 ARG CG C 27.6 0.2 1 403 36 36 ARG CD C 43.5 0.2 1 404 36 36 ARG N N 117.3 0.2 1 405 36 36 ARG NE N 83.6 0.2 1 406 37 37 TRP H H 8.13 0.02 1 407 37 37 TRP HA H 4.99 0.02 1 408 37 37 TRP HB2 H 2.89 0.02 2 409 37 37 TRP HB3 H 3.51 0.02 2 410 37 37 TRP HD1 H 7.23 0.02 1 411 37 37 TRP HE1 H 10.31 0.02 1 412 37 37 TRP HE3 H 7.41 0.02 1 413 37 37 TRP HZ2 H 7.49 0.02 1 414 37 37 TRP HZ3 H 6.96 0.02 1 415 37 37 TRP HH2 H 7.11 0.02 1 416 37 37 TRP C C 174.7 0.2 1 417 37 37 TRP CA C 56.9 0.2 1 418 37 37 TRP CB C 30.3 0.2 1 419 37 37 TRP CD1 C 127.7 0.2 1 420 37 37 TRP CE3 C 120.3 0.2 1 421 37 37 TRP CZ2 C 114.2 0.2 1 422 37 37 TRP CZ3 C 122.9 0.2 1 423 37 37 TRP CH2 C 123.9 0.2 1 424 37 37 TRP N N 112.6 0.2 1 425 37 37 TRP NE1 N 132.2 0.2 1 426 38 38 MET H H 8.35 0.02 1 427 38 38 MET HA H 4.36 0.02 1 428 38 38 MET HB2 H 0.96 0.02 2 429 38 38 MET HB3 H 0.96 0.02 2 430 38 38 MET HG2 H 0.77 0.02 2 431 38 38 MET HG3 H 1.06 0.02 2 432 38 38 MET HE H 2.13 0.02 1 433 38 38 MET C C 172.4 0.2 1 434 38 38 MET CA C 56.3 0.2 1 435 38 38 MET CB C 35.9 0.2 1 436 38 38 MET CG C 29.9 0.2 1 437 38 38 MET CE C 17.6 0.2 1 438 38 38 MET N N 123.9 0.2 1 439 39 39 GLY H H 6.79 0.02 1 440 39 39 GLY HA2 H 3.72 0.02 2 441 39 39 GLY HA3 H 4.59 0.02 2 442 39 39 GLY C C 175.2 0.2 1 443 39 39 GLY CA C 44.3 0.2 1 444 39 39 GLY N N 104.8 0.2 1 445 40 40 THR H H 8.38 0.02 1 446 40 40 THR HA H 4.42 0.02 1 447 40 40 THR HB H 4.31 0.02 1 448 40 40 THR HG2 H 1.03 0.02 1 449 40 40 THR C C 175.2 0.2 1 450 40 40 THR CA C 61.7 0.2 1 451 40 40 THR CB C 68.8 0.2 1 452 40 40 THR CG2 C 22.3 0.2 1 453 40 40 THR N N 104.5 0.2 1 454 41 41 GLU H H 7.03 0.02 1 455 41 41 GLU HA H 4.5 0.02 1 456 41 41 GLU HB2 H 2.01 0.02 2 457 41 41 GLU HB3 H 2.1 0.02 2 458 41 41 GLU HG2 H 2.27 0.02 2 459 41 41 GLU HG3 H 2.27 0.02 2 460 41 41 GLU C C 174 0.2 1 461 41 41 GLU CA C 56.1 0.2 1 462 41 41 GLU CB C 33.5 0.2 1 463 41 41 GLU CG C 36.7 0.2 1 464 41 41 GLU N N 120.3 0.2 1 465 42 42 ALA H H 8.94 0.02 1 466 42 42 ALA HA H 5.2 0.02 1 467 42 42 ALA HB H 1.16 0.02 1 468 42 42 ALA C C 174.6 0.2 1 469 42 42 ALA CA C 52.1 0.2 1 470 42 42 ALA CB C 22.3 0.2 1 471 42 42 ALA N N 125.2 0.2 1 472 43 43 GLU H H 9.3 0.02 1 473 43 43 GLU HA H 4.42 0.02 1 474 43 43 GLU HB2 H 1.87 0.02 2 475 43 43 GLU HB3 H 1.99 0.02 2 476 43 43 GLU HG2 H 2.12 0.02 2 477 43 43 GLU HG3 H 2.19 0.02 2 478 43 43 GLU C C 173.4 0.2 1 479 43 43 GLU CA C 56.7 0.2 1 480 43 43 GLU CB C 32.1 0.2 1 481 43 43 GLU CG C 35.8 0.2 1 482 43 43 GLU N N 124.2 0.2 1 483 44 44 VAL H H 7.69 0.02 1 484 44 44 VAL HA H 4.89 0.02 1 485 44 44 VAL HB H 1.81 0.02 1 486 44 44 VAL HG1 H 1.01 0.02 2 487 44 44 VAL HG2 H 0.6 0.02 2 488 44 44 VAL C C 174.6 0.2 1 489 44 44 VAL CA C 60.1 0.2 1 490 44 44 VAL CB C 37.0 0.2 1 491 44 44 VAL CG1 C 22.7 0.2 2 492 44 44 VAL CG2 C 21.3 0.2 2 493 44 44 VAL N N 120.2 0.2 1 494 45 45 GLU H H 9.03 0.02 1 495 45 45 GLU HA H 4.92 0.02 1 496 45 45 GLU HB2 H 2.06 0.02 2 497 45 45 GLU HB3 H 2.37 0.02 2 498 45 45 GLU HG2 H 2.19 0.02 2 499 45 45 GLU HG3 H 2.24 0.02 2 500 45 45 GLU CA C 52.4 0.2 1 501 45 45 GLU CB C 30.4 0.2 1 502 45 45 GLU CG C 35.0 0.2 1 503 45 45 GLU N N 127.2 0.2 1 504 46 46 PRO HA H 4.69 0.02 1 505 46 46 PRO HB2 H 2.4 0.02 2 506 46 46 PRO HB3 H 2.14 0.02 2 507 46 46 PRO HG2 H 1.79 0.02 2 508 46 46 PRO HG3 H 1.94 0.02 2 509 46 46 PRO HD2 H 3.60 0.02 2 510 46 46 PRO HD3 H 3.50 0.02 2 511 46 46 PRO C C 175.9 0.2 1 512 46 46 PRO CA C 62.9 0.2 1 513 46 46 PRO CB C 34.6 0.2 1 514 46 46 PRO CG C 24.9 0.2 1 515 46 46 PRO CD C 50.3 0.2 1 516 47 47 GLU H H 8.65 0.02 1 517 47 47 GLU HA H 4.21 0.02 1 518 47 47 GLU HB2 H 1.93 0.02 2 519 47 47 GLU HB3 H 1.93 0.02 2 520 47 47 GLU HG2 H 2.14 0.02 2 521 47 47 GLU HG3 H 2.14 0.02 2 522 47 47 GLU CA C 56.7 0.2 1 523 47 47 GLU CB C 30.7 0.2 1 524 47 47 GLU CG C 36.5 0.2 1 525 47 47 GLU N N 121.3 0.2 1 526 48 48 PRO HA H 3.91 0.02 1 527 48 48 PRO HB2 H 2.33 0.02 2 528 48 48 PRO HB3 H 2.03 0.02 2 529 48 48 PRO HG2 H 1.91 0.02 2 530 48 48 PRO HG3 H 2.38 0.02 2 531 48 48 PRO HD2 H 3.77 0.02 2 532 48 48 PRO HD3 H 3.77 0.02 2 533 48 48 PRO C C 177.4 0.2 1 534 48 48 PRO CA C 65.2 0.2 1 535 48 48 PRO CB C 31.2 0.2 1 536 48 48 PRO CG C 29 0.2 1 537 48 48 PRO CD C 50.4 0.2 1 538 49 49 GLY H H 9.17 0.02 1 539 49 49 GLY HA2 H 3.81 0.02 2 540 49 49 GLY HA3 H 4.44 0.02 2 541 49 49 GLY C C 174.8 0.2 1 542 49 49 GLY CA C 45.6 0.2 1 543 49 49 GLY N N 114.8 0.2 1 544 50 50 GLY H H 9.36 0.02 1 545 50 50 GLY HA2 H 4.26 0.02 2 546 50 50 GLY HA3 H 4.86 0.02 2 547 50 50 GLY C C 173.2 0.2 1 548 50 50 GLY CA C 44.9 0.2 1 549 50 50 GLY N N 111.3 0.2 1 550 51 51 LEU H H 8.63 0.02 1 551 51 51 LEU HA H 4.25 0.02 1 552 51 51 LEU HB2 H 1.57 0.02 2 553 51 51 LEU HB3 H 1.57 0.02 2 554 51 51 LEU HG H 1.5 0.02 1 555 51 51 LEU HD1 H 0.97 0.02 2 556 51 51 LEU HD2 H 0.78 0.02 2 557 51 51 LEU C C 174.4 0.2 1 558 51 51 LEU CA C 56.6 0.2 1 559 51 51 LEU CB C 44.2 0.2 1 560 51 51 LEU CG C 26.5 0.2 1 561 51 51 LEU CD1 C 23.3 0.2 2 562 51 51 LEU CD2 C 26.1 0.2 2 563 51 51 LEU N N 124.5 0.2 1 564 52 52 TYR H H 7.87 0.02 1 565 52 52 TYR HA H 4.24 0.02 1 566 52 52 TYR HD1 H 6.43 0.02 3 567 52 52 TYR HD2 H 6.43 0.02 3 568 52 52 TYR C C 174.8 0.2 1 569 52 52 TYR CA C 58.7 0.2 1 570 52 52 TYR CB C 38.4 0.2 1 571 52 52 TYR CD1 C 133.8 0.2 3 572 52 52 TYR CD2 C 133.8 0.2 3 573 52 52 TYR N N 124 0.2 1 574 53 53 LEU H H 7.04 0.02 1 575 53 53 LEU HA H 5.28 0.02 1 576 53 53 LEU HB2 H 1.12 0.02 2 577 53 53 LEU HB3 H 2.12 0.02 2 578 53 53 LEU HG H 1.24 0.02 1 579 53 53 LEU HD1 H 0.71 0.02 2 580 53 53 LEU HD2 H 0.58 0.02 2 581 53 53 LEU C C 174.9 0.2 1 582 53 53 LEU CA C 54.3 0.2 1 583 53 53 LEU CB C 44.6 0.2 1 584 53 53 LEU CG C 27.5 0.2 1 585 53 53 LEU CD1 C 24.1 0.2 2 586 53 53 LEU CD2 C 25.8 0.2 2 587 54 54 VAL H H 8.60 0.02 1 588 54 54 VAL HA H 4.64 0.02 1 589 54 54 VAL HB H 1.58 0.02 1 590 54 54 VAL HG1 H 0.55 0.02 2 591 54 54 VAL HG2 H 0.25 0.02 2 592 54 54 VAL C C 175.1 0.2 1 593 54 54 VAL CA C 60.9 0.2 1 594 54 54 VAL CB C 36.6 0.2 1 595 54 54 VAL CG1 C 20.8 0.2 2 596 54 54 VAL CG2 C 20.6 0.2 2 597 54 54 VAL N N 123.9 0.2 1 598 55 55 ASN H H 8.42 0.02 1 599 55 55 ASN HA H 4.49 0.02 1 600 55 55 ASN HB2 H 3.03 0.02 2 601 55 55 ASN HB3 H 3.03 0.02 2 602 55 55 ASN HD21 H 6.15 0.02 2 603 55 55 ASN HD22 H 5.52 0.02 2 604 55 55 ASN C C 175.1 0.2 1 605 55 55 ASN CA C 51.8 0.2 1 606 55 55 ASN CB C 35.8 0.2 1 607 55 55 ASN N N 126.5 0.2 1 608 55 55 ASN ND2 N 105.7 0.2 1 609 56 56 VAL H H 7.23 0.02 1 610 56 56 VAL HA H 3.18 0.02 1 611 56 56 VAL HB H 2.42 0.02 1 612 56 56 VAL HG1 H 0.83 0.02 2 613 56 56 VAL HG2 H 1.06 0.02 2 614 56 56 VAL CA C 68.3 0.2 1 615 56 56 VAL CB C 32.8 0.2 1 616 56 56 VAL CG1 C 21.3 0.2 2 617 56 56 VAL CG2 C 22.8 0.2 2 618 56 56 VAL N N 123.9 0.2 1 619 57 57 THR H H 8.85 0.02 1 620 57 57 THR HA H 4.59 0.02 1 621 57 57 THR HB H 4.89 0.02 1 622 57 57 THR HG2 H 1.35 0.02 1 623 57 57 THR C C 175.1 0.2 1 624 57 57 THR CA C 60.6 0.2 1 625 57 57 THR CB C 71.3 0.2 1 626 57 57 THR CG2 C 22.1 0.2 1 627 58 58 GLY H H 7.32 0.02 1 628 58 58 GLY HA2 H 3.44 0.02 2 629 58 58 GLY HA3 H 4.24 0.02 2 630 58 58 GLY C C 175.2 0.2 1 631 58 58 GLY CA C 46.1 0.2 1 632 58 58 GLY N N 112 0.2 1 633 59 59 ALA H H 7.43 0.02 1 634 59 59 ALA HA H 4.42 0.02 1 635 59 59 ALA HB H 1.04 0.02 1 636 59 59 ALA C C 177 0.2 1 637 59 59 ALA CA C 51.6 0.2 1 638 59 59 ALA CB C 21.1 0.2 1 639 59 59 ALA N N 120.2 0.2 1 640 60 60 ARG H H 7.70 0.02 1 641 60 60 ARG HA H 4.47 0.02 1 642 60 60 ARG HB2 H 1.82 0.02 2 643 60 60 ARG HB3 H 1.82 0.02 2 644 60 60 ARG HG2 H 1.50 0.02 2 645 60 60 ARG HG3 H 1.50 0.02 2 646 60 60 ARG HD2 H 3.10 0.02 2 647 60 60 ARG HD3 H 3.10 0.02 2 648 60 60 ARG C C 174.5 0.2 1 649 60 60 ARG CA C 56.5 0.2 1 650 60 60 ARG CB C 33 0.2 1 651 60 60 ARG CD C 43.5 0.2 1 652 60 60 ARG N N 117.6 0.2 1 653 61 61 PHE H H 9.16 0.02 1 654 61 61 PHE HA H 4.75 0.02 1 655 61 61 PHE HB2 H 2.66 0.02 2 656 61 61 PHE HB3 H 3.06 0.02 2 657 61 61 PHE HD1 H 7.07 0.02 3 658 61 61 PHE HD2 H 7.07 0.02 3 659 61 61 PHE HE1 H 7.14 0.02 3 660 61 61 PHE HE2 H 7.14 0.02 3 661 61 61 PHE C C 174.9 0.2 1 662 61 61 PHE CA C 60 0.2 1 663 61 61 PHE CB C 40.2 0.2 1 664 61 61 PHE CD1 C 132 0.2 3 665 61 61 PHE CD2 C 132 0.2 3 666 61 61 PHE CE1 C 131.0 0.2 3 667 61 61 PHE CE2 C 131.0 0.2 3 668 61 61 PHE N N 124.8 0.2 1 669 62 62 ALA H H 9.01 0.02 1 670 62 62 ALA HA H 4.55 0.02 1 671 62 62 ALA HB H 0.29 0.02 1 672 62 62 ALA C C 175.8 0.2 1 673 62 62 ALA CA C 50.4 0.2 1 674 62 62 ALA CB C 20.4 0.2 1 675 62 62 ALA N N 126.5 0.2 1 676 63 63 ARG H H 8.18 0.02 1 677 63 63 ARG HA H 5.25 0.02 1 678 63 63 ARG HB2 H 1.20 0.02 2 679 63 63 ARG HB3 H 1.58 0.02 2 680 63 63 ARG CA C 54.5 0.2 1 681 63 63 ARG CB C 36.2 0.2 1 682 63 63 ARG CD C 42.3 0.2 1 683 63 63 ARG N N 120.8 0.2 1 684 64 64 GLY H H 8.67 0.02 1 685 64 64 GLY HA2 H 3.81 0.02 2 686 64 64 GLY HA3 H 4.28 0.02 2 687 64 64 GLY C C 173.2 0.2 1 688 64 64 GLY CA C 44.7 0.2 1 689 65 65 SER H H 8.52 0.02 1 690 65 65 SER HA H 5.6 0.02 1 691 65 65 SER HB2 H 3.59 0.02 2 692 65 65 SER HB3 H 3.7 0.02 2 693 65 65 SER C C 175.1 0.2 1 694 65 65 SER CA C 56.3 0.2 1 695 65 65 SER CB C 66.1 0.2 1 696 65 65 SER N N 116.6 0.2 1 697 66 66 PHE H H 9.66 0.02 1 698 66 66 PHE HA H 4.49 0.02 1 699 66 66 PHE HB2 H 2.59 0.02 2 700 66 66 PHE HB3 H 3.55 0.02 2 701 66 66 PHE HD1 H 7.33 0.02 3 702 66 66 PHE HD2 H 7.33 0.02 3 703 66 66 PHE HE1 H 7.08 0.02 3 704 66 66 PHE HE2 H 7.08 0.02 3 705 66 66 PHE C C 177.3 0.2 1 706 66 66 PHE CA C 61 0.2 1 707 66 66 PHE CB C 40.4 0.2 1 708 66 66 PHE CD1 C 133.2 0.2 3 709 66 66 PHE CD2 C 133.2 0.2 3 710 66 66 PHE CE1 C 131.0 0.2 3 711 66 66 PHE CE2 C 131.0 0.2 3 712 66 66 PHE N N 122.2 0.2 1 713 67 67 ARG H H 9.84 0.02 1 714 67 67 ARG HA H 4.72 0.02 1 715 67 67 ARG HB2 H 1.63 0.02 2 716 67 67 ARG HB3 H 2.01 0.02 2 717 67 67 ARG HG2 H 1.73 0.02 2 718 67 67 ARG HG3 H 1.73 0.02 2 719 67 67 ARG HD2 H 3.16 0.02 2 720 67 67 ARG HD3 H 3.16 0.02 2 721 67 67 ARG C C 176.1 0.2 1 722 67 67 ARG CA C 56.4 0.2 1 723 67 67 ARG CB C 32.8 0.2 1 724 67 67 ARG CG C 27.1 0.2 1 725 67 67 ARG CD C 43.3 0.2 1 726 67 67 ARG N N 124 0.2 1 727 68 68 GLU H H 8.32 0.02 1 728 68 68 GLU HA H 4.76 0.02 1 729 68 68 GLU HB2 H 1.88 0.02 2 730 68 68 GLU HB3 H 2.07 0.02 2 731 68 68 GLU HG2 H 2.29 0.02 2 732 68 68 GLU HG3 H 2.29 0.02 2 733 68 68 GLU C C 175 0.2 1 734 68 68 GLU CA C 55.8 0.2 1 735 68 68 GLU CB C 34.5 0.2 1 736 68 68 GLU CG C 36.5 0.2 1 737 68 68 GLU N N 116.3 0.2 1 738 69 69 VAL H H 9.08 0.02 1 739 69 69 VAL HA H 4.41 0.02 1 740 69 69 VAL HB H 1.99 0.02 1 741 69 69 VAL HG1 H 0.9 0.02 2 742 69 69 VAL HG2 H 0.5 0.02 2 743 69 69 VAL C C 173.9 0.2 1 744 69 69 VAL CA C 63 0.2 1 745 69 69 VAL CB C 34.9 0.2 1 746 69 69 VAL CG1 C 21.1 0.2 2 747 69 69 VAL CG2 C 20.6 0.2 2 748 69 69 VAL N N 123.4 0.2 1 749 70 70 VAL H H 8.97 0.02 1 750 70 70 VAL HA H 4.63 0.02 1 751 70 70 VAL HB H 2.15 0.02 1 752 70 70 VAL HG1 H 0.88 0.02 2 753 70 70 VAL HG2 H 0.91 0.02 2 754 70 70 VAL CA C 58.7 0.2 1 755 70 70 VAL CB C 32.6 0.2 1 756 70 70 VAL CG1 C 22.2 0.2 2 757 70 70 VAL CG2 C 19.5 0.2 2 758 70 70 VAL N N 127.8 0.2 1 759 71 71 PRO HA H 3.24 0.02 1 760 71 71 PRO HB2 H 1.72 0.02 2 761 71 71 PRO HB3 H 1.68 0.02 2 762 71 71 PRO HG2 H 2.14 0.02 2 763 71 71 PRO HG3 H 2.14 0.02 2 764 71 71 PRO HD2 H 3.74 0.02 2 765 71 71 PRO HD3 H 3.74 0.02 2 766 71 71 PRO C C 179.5 0.2 1 767 71 71 PRO CA C 57.2 0.2 1 768 71 71 PRO CB C 31.6 0.2 1 769 71 71 PRO CG C 27.8 0.2 1 770 71 71 PRO CD C 51 0.2 1 771 72 72 VAL H H 7.31 0.02 1 772 72 72 VAL HA H 2.89 0.02 1 773 72 72 VAL HB H 2.07 0.02 1 774 72 72 VAL HG1 H 0.52 0.02 2 775 72 72 VAL HG2 H 0.44 0.02 2 776 72 72 VAL C C 172 0.2 1 777 72 72 VAL CA C 63.5 0.2 1 778 72 72 VAL CB C 30.4 0.2 1 779 72 72 VAL CG1 C 21.6 0.2 2 780 72 72 VAL CG2 C 17.7 0.2 2 781 72 72 VAL N N 118.8 0.2 1 782 73 73 HIS H H 7.79 0.02 1 783 73 73 HIS HA H 5.37 0.02 1 784 73 73 HIS HB2 H 3.32 0.02 2 785 73 73 HIS HB3 H 3.32 0.02 2 786 73 73 HIS HD2 H 7.21 0.02 1 787 73 73 HIS HE1 H 8.13 0.02 1 788 73 73 HIS C C 175.6 0.2 1 789 73 73 HIS CA C 56.9 0.2 1 790 73 73 HIS CB C 33.2 0.2 1 791 73 73 HIS CD2 C 120.4 0.2 1 792 73 73 HIS CE1 C 137.5 0.2 1 793 73 73 HIS N N 112.1 0.2 1 794 73 73 HIS ND1 N 203.8 0.2 1 795 73 73 HIS NE2 N 182.2 0.2 1 796 74 74 ARG H H 8.12 0.02 1 797 74 74 ARG HA H 5.62 0.02 1 798 74 74 ARG HB2 H 1.64 0.02 2 799 74 74 ARG HB3 H 2 0.02 2 800 74 74 ARG HG2 H 1.48 0.02 2 801 74 74 ARG HG3 H 1.48 0.02 2 802 74 74 ARG HD2 H 3.08 0.02 2 803 74 74 ARG HD3 H 3.35 0.02 2 804 74 74 ARG HE H 7.44 0.02 1 805 74 74 ARG C C 173.3 0.2 1 806 74 74 ARG CA C 55.6 0.2 1 807 74 74 ARG CB C 33.6 0.2 1 808 74 74 ARG CG C 27.8 0.2 1 809 74 74 ARG CD C 42.9 0.2 1 810 74 74 ARG N N 123.8 0.2 1 811 74 74 ARG NE N 84.9 0.2 1 812 75 75 LEU H H 9.08 0.02 1 813 75 75 LEU HA H 5.08 0.02 1 814 75 75 LEU HB2 H 1.67 0.02 2 815 75 75 LEU HB3 H 1.72 0.02 2 816 75 75 LEU HG H 0.86 0.02 1 817 75 75 LEU HD1 H 0.86 0.02 2 818 75 75 LEU HD2 H 0.86 0.02 2 819 75 75 LEU C C 174.3 0.2 1 820 75 75 LEU CA C 54.2 0.2 1 821 75 75 LEU CB C 48 0.2 1 822 75 75 LEU CG C 26.2 0.2 1 823 75 75 LEU CD1 C 26.2 0.2 2 824 75 75 LEU CD2 C 26.2 0.2 2 825 75 75 LEU N N 126.7 0.2 1 826 76 76 ALA H H 9.31 0.02 1 827 76 76 ALA HA H 5.7 0.02 1 828 76 76 ALA HB H 1.38 0.02 1 829 76 76 ALA C C 176.9 0.2 1 830 76 76 ALA CA C 51.4 0.2 1 831 76 76 ALA CB C 22.6 0.2 1 832 76 76 ALA N N 122.1 0.2 1 833 77 77 TYR H H 9.21 0.02 1 834 77 77 TYR HA H 5.07 0.02 1 835 77 77 TYR HB2 H 2.17 0.02 2 836 77 77 TYR HB3 H 2.29 0.02 2 837 77 77 TYR HD1 H 6.35 0.02 3 838 77 77 TYR HD2 H 6.35 0.02 3 839 77 77 TYR HE1 H 6.28 0.02 3 840 77 77 TYR HE2 H 6.28 0.02 3 841 77 77 TYR C C 173.1 0.2 1 842 77 77 TYR CA C 54.9 0.2 1 843 77 77 TYR CB C 38.8 0.2 1 844 77 77 TYR CD1 C 132.1 0.2 3 845 77 77 TYR CD2 C 132.1 0.2 3 846 77 77 TYR CE1 C 117.4 0.2 3 847 77 77 TYR CE2 C 117.2 0.2 3 848 77 77 TYR N N 121.9 0.2 1 849 78 78 SER H H 9.26 0.02 1 850 78 78 SER HA H 5.25 0.02 1 851 78 78 SER HB2 H 3.94 0.02 2 852 78 78 SER HB3 H 4.32 0.02 2 853 78 78 SER C C 174.4 0.2 1 854 78 78 SER CA C 57 0.2 1 855 78 78 SER CB C 64.9 0.2 1 856 78 78 SER N N 118.3 0.2 1 857 79 79 PHE H H 8.25 0.02 1 858 79 79 PHE HA H 4.42 0.02 1 859 79 79 PHE HB2 H 2.54 0.02 2 860 79 79 PHE HB3 H 2.54 0.02 2 861 79 79 PHE C C 174.9 0.2 1 862 79 79 PHE CA C 60.2 0.2 1 863 79 79 PHE CB C 44.1 0.2 1 864 79 79 PHE N N 115.0 0.2 1 865 80 80 GLY H H 6.90 0.02 1 866 80 80 GLY HA2 H 3.34 0.02 2 867 80 80 GLY HA3 H 3.34 0.02 2 868 80 80 GLY C C 169.5 0.2 1 869 80 80 GLY CA C 44.6 0.2 1 870 80 80 GLY N N 119.5 0.2 1 871 81 81 TRP H H 9.04 0.02 1 872 81 81 TRP HA H 5.26 0.02 1 873 81 81 TRP HB2 H 2.98 0.02 2 874 81 81 TRP HB3 H 3.05 0.02 2 875 81 81 TRP HD1 H 7.32 0.02 1 876 81 81 TRP HE3 H 7.05 0.02 1 877 81 81 TRP HZ2 H 7.51 0.02 1 878 81 81 TRP HZ3 H 6.88 0.02 1 879 81 81 TRP HH2 H 7.05 0.02 1 880 81 81 TRP C C 176.3 0.2 1 881 81 81 TRP CA C 56.2 0.2 1 882 81 81 TRP CB C 31.9 0.2 1 883 81 81 TRP CD1 C 126.7 0.2 1 884 81 81 TRP CE3 C 121.9 0.2 1 885 81 81 TRP CZ2 C 114.5 0.2 1 886 81 81 TRP CZ3 C 120.8 0.2 1 887 81 81 TRP CH2 C 124.3 0.2 1 888 81 81 TRP N N 120.1 0.2 1 889 82 82 ASP H H 8.86 0.02 1 890 82 82 ASP HA H 4.49 0.02 1 891 82 82 ASP HB2 H 2.7 0.02 2 892 82 82 ASP HB3 H 2.84 0.02 2 893 82 82 ASP C C 178.8 0.2 1 894 82 82 ASP CA C 56.5 0.2 1 895 82 82 ASP CB C 40.6 0.2 1 896 82 82 ASP N N 125.1 0.2 1 897 83 83 GLY H H 9.27 0.02 1 898 83 83 GLY HA2 H 3.77 0.02 2 899 83 83 GLY HA3 H 4.19 0.02 2 900 83 83 GLY C C 173.9 0.2 1 901 83 83 GLY CA C 45.6 0.2 1 902 83 83 GLY N N 112.5 0.2 1 903 84 84 SER H H 7.95 0.02 1 904 84 84 SER HA H 4.58 0.02 1 905 84 84 SER HB2 H 3.72 0.02 2 906 84 84 SER HB3 H 4.16 0.02 2 907 84 84 SER HG H 5.19 0.02 1 908 84 84 SER C C 176.5 0.2 1 909 84 84 SER CA C 57.5 0.2 1 910 84 84 SER CB C 65.1 0.2 1 911 84 84 SER N N 113.4 0.2 1 912 85 85 GLU H H 9.37 0.02 1 913 85 85 GLU HA H 4.46 0.02 1 914 85 85 GLU HB2 H 1.96 0.02 2 915 85 85 GLU HB3 H 2.22 0.02 2 916 85 85 GLU HG2 H 2.3 0.02 2 917 85 85 GLU HG3 H 2.37 0.02 2 918 85 85 GLU C C 176.4 0.2 1 919 85 85 GLU CA C 56.9 0.2 1 920 85 85 GLU CB C 30.2 0.2 1 921 85 85 GLU CG C 36.6 0.2 1 922 85 85 GLU N N 127.1 0.2 1 923 86 86 VAL H H 7.98 0.02 1 924 86 86 VAL HA H 4.16 0.02 1 925 86 86 VAL HB H 1.88 0.02 1 926 86 86 VAL HG1 H 1.01 0.02 2 927 86 86 VAL HG2 H 0.97 0.02 2 928 86 86 VAL C C 176 0.2 1 929 86 86 VAL CA C 63.9 0.2 1 930 86 86 VAL CB C 33.7 0.2 1 931 86 86 VAL CG1 C 21.7 0.2 2 932 86 86 VAL CG2 C 21.4 0.2 2 933 86 86 VAL N N 119 0.2 1 934 87 87 VAL H H 8.28 0.02 1 935 87 87 VAL HA H 4.45 0.02 1 936 87 87 VAL HB H 2.57 0.02 1 937 87 87 VAL HG1 H 1.24 0.02 2 938 87 87 VAL HG2 H 1 0.02 2 939 87 87 VAL CA C 59.5 0.2 1 940 87 87 VAL CB C 32.7 0.2 1 941 87 87 VAL CG1 C 22.1 0.2 2 942 87 87 VAL CG2 C 21 0.2 2 943 87 87 VAL N N 119.3 0.2 1 944 88 88 PRO HA H 5.18 0.02 1 945 88 88 PRO HB2 H 2.68 0.02 2 946 88 88 PRO HB3 H 1.99 0.02 2 947 88 88 PRO HG2 H 1.97 0.02 2 948 88 88 PRO HG3 H 2.08 0.02 2 949 88 88 PRO HD2 H 3.63 0.02 2 950 88 88 PRO HD3 H 3.17 0.02 2 951 88 88 PRO CA C 62.6 0.2 1 952 88 88 PRO CB C 30.5 0.2 1 953 88 88 PRO CG C 27.6 0.2 1 954 88 88 PRO CD C 50.2 0.2 1 955 89 89 PRO HA H 3.73 0.02 1 956 89 89 PRO HB2 H 1.90 0.02 2 957 89 89 PRO HB3 H 1.81 0.02 2 958 89 89 PRO HG2 H 1.87 0.02 2 959 89 89 PRO HG3 H 2.14 0.02 2 960 89 89 PRO HD2 H 4.31 0.02 2 961 89 89 PRO HD3 H 3.58 0.02 2 962 89 89 PRO C C 177.2 0.2 1 963 89 89 PRO CA C 64.8 0.2 1 964 89 89 PRO CB C 32.5 0.2 1 965 89 89 PRO CG C 27.8 0.2 1 966 89 89 PRO CD C 51.1 0.2 1 967 90 90 GLY H H 7.62 0.02 1 968 90 90 GLY HA2 H 3.99 0.02 2 969 90 90 GLY HA3 H 4.1 0.02 2 970 90 90 GLY C C 174.2 0.2 1 971 90 90 GLY CA C 46.6 0.2 1 972 90 90 GLY N N 108.1 0.2 1 973 91 91 SER H H 7.82 0.02 1 974 91 91 SER HA H 4.45 0.02 1 975 91 91 SER HB2 H 3.79 0.02 2 976 91 91 SER HB3 H 4.2 0.02 2 977 91 91 SER HG H 6.06 0.02 1 978 91 91 SER C C 173.2 0.2 1 979 91 91 SER CA C 60.9 0.2 1 980 91 91 SER CB C 64.9 0.2 1 981 91 91 SER N N 113.7 0.2 1 982 92 92 SER H H 8.68 0.02 1 983 92 92 SER HA H 5.21 0.02 1 984 92 92 SER HB2 H 3.85 0.02 2 985 92 92 SER HB3 H 4.64 0.02 2 986 92 92 SER C C 172.3 0.2 1 987 92 92 SER CA C 57.6 0.2 1 988 92 92 SER CB C 67.4 0.2 1 989 92 92 SER N N 119.7 0.2 1 990 93 93 LEU H H 8.90 0.02 1 991 93 93 LEU HA H 4.77 0.02 1 992 93 93 LEU HB2 H 1.13 0.02 2 993 93 93 LEU HB3 H 1.8 0.02 2 994 93 93 LEU HG H 1.18 0.02 1 995 93 93 LEU HD1 H 0.61 0.02 2 996 93 93 LEU HD2 H 0.7 0.02 2 997 93 93 LEU C C 173 0.2 1 998 93 93 LEU CA C 55.2 0.2 1 999 93 93 LEU CB C 45.5 0.2 1 1000 93 93 LEU CG C 27.5 0.2 1 1001 93 93 LEU CD1 C 21.9 0.2 2 1002 93 93 LEU CD2 C 25.7 0.2 2 1003 93 93 LEU N N 123.1 0.2 1 1004 94 94 VAL H H 8.84 0.02 1 1005 94 94 VAL HA H 3.95 0.02 1 1006 94 94 VAL HB H 0.50 0.02 1 1007 94 94 VAL HG1 H 0.16 0.02 2 1008 94 94 VAL HG2 H -0.39 0.02 2 1009 94 94 VAL C C 174.3 0.2 1 1010 94 94 VAL CA C 61.7 0.2 1 1011 94 94 VAL CB C 31.8 0.2 1 1012 94 94 VAL CG1 C 21.3 0.2 2 1013 94 94 VAL CG2 C 19.7 0.2 2 1014 94 94 VAL N N 129 0.2 1 1015 95 95 GLU H H 8.77 0.02 1 1016 95 95 GLU HA H 4.64 0.02 1 1017 95 95 GLU HB2 H 1.97 0.02 2 1018 95 95 GLU HB3 H 1.97 0.02 2 1019 95 95 GLU HG2 H 1.97 0.02 2 1020 95 95 GLU HG3 H 1.97 0.02 2 1021 95 95 GLU C C 174.7 0.2 1 1022 95 95 GLU CA C 55.0 0.2 1 1023 95 95 GLU CB C 34.6 0.2 1 1024 95 95 GLU CG C 37.6 0.2 1 1025 95 95 GLU N N 124 0.2 1 1026 96 96 ILE H H 9.30 0.02 1 1027 96 96 ILE HA H 4.84 0.02 1 1028 96 96 ILE HB H 1.77 0.02 1 1029 96 96 ILE HG12 H 0.72 0.02 2 1030 96 96 ILE HG13 H 1.29 0.02 2 1031 96 96 ILE HG2 H 0.66 0.02 1 1032 96 96 ILE HD1 H 0.75 0.02 1 1033 96 96 ILE C C 173.8 0.2 1 1034 96 96 ILE CA C 59.9 0.2 1 1035 96 96 ILE CB C 41.3 0.2 1 1036 96 96 ILE CG1 C 28 0.2 1 1037 96 96 ILE CG2 C 17.9 0.2 1 1038 96 96 ILE CD1 C 13.9 0.2 1 1039 96 96 ILE N N 123.8 0.2 1 1040 97 97 ASP H H 8.73 0.02 1 1041 97 97 ASP HA H 5.62 0.02 1 1042 97 97 ASP HB2 H 2.46 0.02 2 1043 97 97 ASP HB3 H 2.66 0.02 2 1044 97 97 ASP C C 174.8 0.2 1 1045 97 97 ASP CA C 53.1 0.2 1 1046 97 97 ASP CB C 44.8 0.2 1 1047 97 97 ASP N N 125.4 0.2 1 1048 98 98 LEU H H 8.84 0.02 1 1049 98 98 LEU HA H 5.07 0.02 1 1050 98 98 LEU HB2 H 1.17 0.02 2 1051 98 98 LEU HB3 H 2.37 0.02 2 1052 98 98 LEU HG H 1.51 0.02 1 1053 98 98 LEU HD1 H 1.00 0.02 2 1054 98 98 LEU HD2 H 0.77 0.02 2 1055 98 98 LEU C C 175.7 0.2 1 1056 98 98 LEU CA C 53.7 0.2 1 1057 98 98 LEU CB C 42.9 0.2 1 1058 98 98 LEU CG C 27.3 0.2 1 1059 98 98 LEU CD1 C 25.7 0.2 2 1060 98 98 LEU CD2 C 25.2 0.2 2 1061 98 98 LEU N N 120.9 0.2 1 1062 99 99 ILE H H 9.04 0.02 1 1063 99 99 ILE HA H 4.35 0.02 1 1064 99 99 ILE HB H 1.95 0.02 1 1065 99 99 ILE HG12 H 1.21 0.02 2 1066 99 99 ILE HG13 H 1.43 0.02 2 1067 99 99 ILE HG2 H 0.97 0.02 1 1068 99 99 ILE HD1 H 0.84 0.02 1 1069 99 99 ILE C C 175.4 0.2 1 1070 99 99 ILE CA C 60.1 0.2 1 1071 99 99 ILE CB C 41.6 0.2 1 1072 99 99 ILE CG1 C 28.3 0.2 1 1073 99 99 ILE CG2 C 17.9 0.2 1 1074 99 99 ILE CD1 C 14 0.2 1 1075 99 99 ILE N N 124.5 0.2 1 1076 100 100 GLU H H 9.02 0.02 1 1077 100 100 GLU HA H 4.25 0.02 1 1078 100 100 GLU HB2 H 2.06 0.02 2 1079 100 100 GLU HB3 H 2.1 0.02 2 1080 100 100 GLU HG2 H 2.39 0.02 2 1081 100 100 GLU HG3 H 2.39 0.02 2 1082 100 100 GLU C C 176.1 0.2 1 1083 100 100 GLU CA C 58.3 0.2 1 1084 100 100 GLU CB C 29.8 0.2 1 1085 100 100 GLU CG C 36.9 0.2 1 1086 100 100 GLU N N 128.2 0.2 1 1087 101 101 GLN H H 8.00 0.02 1 1088 101 101 GLN HA H 4.53 0.02 1 1089 101 101 GLN HB2 H 1.82 0.02 2 1090 101 101 GLN HB3 H 1.93 0.02 2 1091 101 101 GLN HG2 H 2.17 0.02 2 1092 101 101 GLN HG3 H 2.27 0.02 2 1093 101 101 GLN HE21 H 6.9 0.02 2 1094 101 101 GLN HE22 H 7.52 0.02 2 1095 101 101 GLN C C 176.1 0.2 1 1096 101 101 GLN CA C 55.8 0.2 1 1097 101 101 GLN CB C 31.5 0.2 1 1098 101 101 GLN CG C 34.3 0.2 1 1099 101 101 GLN N N 124.9 0.2 1 1100 101 101 GLN NE2 N 112 0.2 1 1101 102 102 GLY H H 9.31 0.02 1 1102 102 102 GLY HA2 H 3.89 0.02 2 1103 102 102 GLY HA3 H 3.89 0.02 2 1104 102 102 GLY C C 175.4 0.2 1 1105 102 102 GLY CA C 47.4 0.2 1 1106 102 102 GLY N N 118.2 0.2 1 1107 103 103 GLY H H 8.91 0.02 1 1108 103 103 GLY HA2 H 3.96 0.02 2 1109 103 103 GLY HA3 H 4.07 0.02 2 1110 103 103 GLY C C 173.8 0.2 1 1111 103 103 GLY CA C 45.4 0.2 1 1112 103 103 GLY N N 111.7 0.2 1 1113 104 104 GLY H H 7.82 0.02 1 1114 104 104 GLY HA2 H 3.83 0.02 2 1115 104 104 GLY HA3 H 4.21 0.02 2 1116 104 104 GLY C C 174.1 0.2 1 1117 104 104 GLY CA C 44.5 0.2 1 1118 104 104 GLY N N 109.5 0.2 1 1119 105 105 THR H H 8.76 0.02 1 1120 105 105 THR HA H 4.89 0.02 1 1121 105 105 THR HB H 3.70 0.02 1 1122 105 105 THR HG1 H 6.07 0.02 1 1123 105 105 THR HG2 H 0.97 0.02 1 1124 105 105 THR C C 172.7 0.2 1 1125 105 105 THR CA C 63.1 0.2 1 1126 105 105 THR CB C 72.8 0.2 1 1127 105 105 THR CG2 C 23.1 0.2 1 1128 105 105 THR N N 121.1 0.2 1 1129 106 106 LEU H H 9.65 0.02 1 1130 106 106 LEU HA H 4.76 0.02 1 1131 106 106 LEU HB2 H 1.22 0.02 2 1132 106 106 LEU HB3 H 1.79 0.02 2 1133 106 106 LEU HG H 1.22 0.02 1 1134 106 106 LEU HD1 H 0.62 0.02 2 1135 106 106 LEU HD2 H 0.76 0.02 2 1136 106 106 LEU C C 173.2 0.2 1 1137 106 106 LEU CA C 54.2 0.2 1 1138 106 106 LEU CB C 42.7 0.2 1 1139 106 106 LEU CG C 27.5 0.2 1 1140 106 106 LEU CD1 C 22.9 0.2 2 1141 106 106 LEU CD2 C 25.5 0.2 2 1142 106 106 LEU N N 129.7 0.2 1 1143 107 107 LEU H H 9.12 0.02 1 1144 107 107 LEU HA H 4.94 0.02 1 1145 107 107 LEU HB2 H 1.24 0.02 2 1146 107 107 LEU HB3 H 1.54 0.02 2 1147 107 107 LEU HG H 1.37 0.02 1 1148 107 107 LEU HD1 H 0.59 0.02 2 1149 107 107 LEU HD2 H 0.53 0.02 2 1150 107 107 LEU C C 174.9 0.2 1 1151 107 107 LEU CA C 54.1 0.2 1 1152 107 107 LEU CB C 45.1 0.2 1 1153 107 107 LEU CG C 27.9 0.2 1 1154 107 107 LEU CD1 C 28.9 0.2 2 1155 107 107 LEU CD2 C 25.4 0.2 2 1156 107 107 LEU N N 131.7 0.2 1 1157 108 108 ARG H H 9.13 0.02 1 1158 108 108 ARG HA H 4.8 0.02 1 1159 108 108 ARG HB2 H 1.7 0.02 2 1160 108 108 ARG HB3 H 1.87 0.02 2 1161 108 108 ARG HG2 H 1.52 0.02 2 1162 108 108 ARG HG3 H 1.52 0.02 2 1163 108 108 ARG HD2 H 3.13 0.02 2 1164 108 108 ARG HD3 H 3.13 0.02 2 1165 108 108 ARG HE H 7.33 0.02 1 1166 108 108 ARG C C 173.4 0.2 1 1167 108 108 ARG CA C 56 0.2 1 1168 108 108 ARG CB C 32.5 0.2 1 1169 108 108 ARG CG C 28.2 0.2 1 1170 108 108 ARG CD C 43.7 0.2 1 1171 108 108 ARG N N 125.6 0.2 1 1172 108 108 ARG NE N 84.9 0.2 1 1173 109 109 LEU H H 8.87 0.02 1 1174 109 109 LEU HA H 4.93 0.02 1 1175 109 109 LEU HB2 H 0.85 0.02 2 1176 109 109 LEU HB3 H 1.21 0.02 2 1177 109 109 LEU HG H 0.71 0.02 1 1178 109 109 LEU HD1 H -0.43 0.02 2 1179 109 109 LEU HD2 H -0.43 0.02 2 1180 109 109 LEU C C 175.7 0.2 1 1181 109 109 LEU CA C 53.6 0.2 1 1182 109 109 LEU CB C 45.4 0.2 1 1183 109 109 LEU CG C 27.1 0.2 1 1184 109 109 LEU CD1 C 24.6 0.2 2 1185 109 109 LEU CD2 C 24.2 0.2 2 1186 109 109 LEU N N 129.0 0.2 1 1187 110 110 THR H H 9.01 0.02 1 1188 110 110 THR HA H 4.97 0.02 1 1189 110 110 THR HB H 3.96 0.02 1 1190 110 110 THR HG2 H 1.12 0.02 1 1191 110 110 THR C C 173.1 0.2 1 1192 110 110 THR CA C 62 0.2 1 1193 110 110 THR CB C 70.8 0.2 1 1194 110 110 THR CG2 C 21.8 0.2 1 1195 110 110 THR N N 123.3 0.2 1 1196 111 111 HIS H H 9.82 0.02 1 1197 111 111 HIS HA H 5.93 0.02 1 1198 111 111 HIS HB2 H 2.35 0.02 2 1199 111 111 HIS HB3 H 3.32 0.02 2 1200 111 111 HIS HD2 H 7.08 0.02 1 1201 111 111 HIS HE1 H 8.21 0.02 1 1202 111 111 HIS C C 174.6 0.2 1 1203 111 111 HIS CA C 52.9 0.2 1 1204 111 111 HIS CB C 33.5 0.2 1 1205 111 111 HIS CD2 C 115.3 0.2 1 1206 111 111 HIS CE1 C 137.2 0.2 1 1207 111 111 HIS N N 131.7 0.2 1 1208 111 111 HIS ND1 N 200.4 0.2 1 1209 111 111 HIS NE2 N 176.7 0.2 1 1210 112 112 SER H H 9.83 0.02 1 1211 112 112 SER HA H 5.28 0.02 1 1212 112 112 SER HB2 H 3.86 0.02 2 1213 112 112 SER HB3 H 4.04 0.02 2 1214 112 112 SER C C 174.8 0.2 1 1215 112 112 SER CA C 57.5 0.2 1 1216 112 112 SER CB C 66.6 0.2 1 1217 112 112 SER N N 121.4 0.2 1 1218 113 113 GLY H H 8.76 0.02 1 1219 113 113 GLY HA2 H 3.89 0.02 2 1220 113 113 GLY HA3 H 4.33 0.02 2 1221 113 113 GLY C C 175.3 0.2 1 1222 113 113 GLY CA C 46.3 0.2 1 1223 113 113 GLY N N 107.5 0.2 1 1224 114 114 LEU H H 8.2 0.02 1 1225 114 114 LEU HA H 4.64 0.02 1 1226 114 114 LEU HB2 H 0.91 0.02 2 1227 114 114 LEU HB3 H 1.92 0.02 2 1228 114 114 LEU HG H 1.1 0.02 1 1229 114 114 LEU HD1 H 0.23 0.02 2 1230 114 114 LEU HD2 H 0.27 0.02 2 1231 114 114 LEU CA C 52.7 0.2 1 1232 114 114 LEU CB C 41.3 0.2 1 1233 114 114 LEU CG C 27.8 0.2 1 1234 114 114 LEU CD1 C 25.6 0.2 2 1235 114 114 LEU CD2 C 22.4 0.2 2 1236 114 114 LEU N N 121.2 0.2 1 1237 115 115 PRO HA H 4.76 0.02 1 1238 115 115 PRO HB2 H 2.44 0.02 2 1239 115 115 PRO HB3 H 2.24 0.02 2 1240 115 115 PRO HG2 H 1.77 0.02 2 1241 115 115 PRO HG3 H 2.53 0.02 2 1242 115 115 PRO HD2 H 4.14 0.02 2 1243 115 115 PRO HD3 H 3.26 0.02 2 1244 115 115 PRO C C 175.7 0.2 1 1245 115 115 PRO CA C 65.1 0.2 1 1246 115 115 PRO CB C 33 0.2 1 1247 115 115 PRO CG C 27.1 0.2 1 1248 115 115 PRO CD C 50.3 0.2 1 1249 116 116 SER H H 6.76 0.02 1 1250 116 116 SER HA H 4.24 0.02 1 1251 116 116 SER HB2 H 3.83 0.02 2 1252 116 116 SER HB3 H 4.09 0.02 2 1253 116 116 SER C C 173.2 0.2 1 1254 116 116 SER CA C 55.6 0.2 1 1255 116 116 SER CB C 66.8 0.2 1 1256 116 116 SER N N 110.3 0.2 1 1257 117 117 ALA H H 8.73 0.02 1 1258 117 117 ALA HA H 3.60 0.02 1 1259 117 117 ALA HB H 1.36 0.02 1 1260 117 117 ALA C C 180.4 0.2 1 1261 117 117 ALA CA C 54.9 0.2 1 1262 117 117 ALA CB C 17.9 0.2 1 1263 117 117 ALA N N 125.8 0.2 1 1264 118 118 GLU H H 8.84 0.02 1 1265 118 118 GLU HA H 4.08 0.02 1 1266 118 118 GLU HB2 H 1.88 0.02 2 1267 118 118 GLU HB3 H 2.05 0.02 2 1268 118 118 GLU HG2 H 2.24 0.02 2 1269 118 118 GLU HG3 H 2.24 0.02 2 1270 118 118 GLU C C 180.1 0.2 1 1271 118 118 GLU CA C 60 0.2 1 1272 118 118 GLU CB C 29.2 0.2 1 1273 118 118 GLU CG C 36.7 0.2 1 1274 118 118 GLU N N 119.47 0.2 1 1275 119 119 GLN H H 7.81 0.02 1 1276 119 119 GLN HA H 4.28 0.02 1 1277 119 119 GLN HB2 H 1.77 0.02 2 1278 119 119 GLN HB3 H 2.31 0.02 2 1279 119 119 GLN HG2 H 1.76 0.02 2 1280 119 119 GLN HG3 H 1.83 0.02 2 1281 119 119 GLN C C 180 0.2 1 1282 119 119 GLN CA C 57.9 0.2 1 1283 119 119 GLN CB C 28 0.2 1 1284 119 119 GLN CG C 33.4 0.2 1 1285 119 119 GLN N N 117.3 0.2 1 1286 120 120 CYS H H 8.4 0.02 1 1287 120 120 CYS HA H 4.02 0.02 1 1288 120 120 CYS HB2 H 2.8 0.02 2 1289 120 120 CYS HB3 H 3.09 0.02 2 1290 120 120 CYS C C 175.1 0.2 1 1291 120 120 CYS CA C 63.6 0.2 1 1292 120 120 CYS CB C 26.4 0.2 1 1293 120 120 CYS N N 123.07 0.2 1 1294 121 121 ALA H H 8.39 0.02 1 1295 121 121 ALA HA H 4.34 0.02 1 1296 121 121 ALA HB H 1.51 0.02 1 1297 121 121 ALA C C 181.3 0.2 1 1298 121 121 ALA CA C 55.4 0.2 1 1299 121 121 ALA CB C 18 0.2 1 1300 121 121 ALA N N 121.6 0.2 1 1301 122 122 GLY H H 8.14 0.02 1 1302 122 122 GLY HA2 H 3.9 0.02 2 1303 122 122 GLY HA3 H 3.9 0.02 2 1304 122 122 GLY C C 176.8 0.2 1 1305 122 122 GLY CA C 47.3 0.2 1 1306 122 122 GLY N N 104.3 0.2 1 1307 123 123 HIS H H 8.30 0.02 1 1308 123 123 HIS HA H 4.4 0.02 1 1309 123 123 HIS HB2 H 3.09 0.02 2 1310 123 123 HIS HB3 H 3.27 0.02 2 1311 123 123 HIS HD2 H 7.03 0.02 1 1312 123 123 HIS HE1 H 8.26 0.02 1 1313 123 123 HIS C C 176.9 0.2 1 1314 123 123 HIS CA C 62.4 0.2 1 1315 123 123 HIS CB C 27.8 0.2 1 1316 123 123 HIS CD2 C 119.4 0.2 1 1317 123 123 HIS CE1 C 139.7 0.2 1 1318 123 123 HIS N N 119.2 0.2 1 1319 123 123 HIS ND1 N 167 0.2 1 1320 123 123 HIS NE2 N 251.3 0.2 1 1321 124 124 GLU H H 9.35 0.02 1 1322 124 124 GLU HA H 4.14 0.02 1 1323 124 124 GLU HB2 H 2.45 0.02 2 1324 124 124 GLU HB3 H 2.45 0.02 2 1325 124 124 GLU HG2 H 2.34 0.02 2 1326 124 124 GLU HG3 H 2.47 0.02 2 1327 124 124 GLU C C 177.9 0.2 1 1328 124 124 GLU CA C 61.5 0.2 1 1329 124 124 GLU CB C 29.2 0.2 1 1330 124 124 GLU CG C 36.6 0.2 1 1331 124 124 GLU N N 123.4 0.2 1 1332 125 125 GLU H H 7.91 0.02 1 1333 125 125 GLU HA H 4.25 0.02 1 1334 125 125 GLU HB2 H 2.26 0.02 2 1335 125 125 GLU HB3 H 2.26 0.02 2 1336 125 125 GLU HG2 H 2.36 0.02 2 1337 125 125 GLU HG3 H 2.56 0.02 2 1338 125 125 GLU C C 180.4 0.2 1 1339 125 125 GLU CA C 59.4 0.2 1 1340 125 125 GLU CB C 29.7 0.2 1 1341 125 125 GLU CG C 36.4 0.2 1 1342 125 125 GLU N N 118.1 0.2 1 1343 126 126 GLY H H 8.18 0.02 1 1344 126 126 GLY HA2 H 3.93 0.02 2 1345 126 126 GLY HA3 H 3.93 0.02 2 1346 126 126 GLY C C 175.3 0.2 1 1347 126 126 GLY CA C 47.7 0.2 1 1348 126 126 GLY N N 107.1 0.2 1 1349 127 127 TRP H H 9.6 0.02 1 1350 127 127 TRP HA H 4.86 0.02 1 1351 127 127 TRP HB2 H 3.09 0.02 2 1352 127 127 TRP HB3 H 3.41 0.02 2 1353 127 127 TRP HD1 H 7.06 0.02 1 1354 127 127 TRP HE1 H 9.06 0.02 1 1355 127 127 TRP HE3 H 7.57 0.02 1 1356 127 127 TRP HZ2 H 6.68 0.02 1 1357 127 127 TRP HZ3 H 6.91 0.02 1 1358 127 127 TRP HH2 H 6.99 0.02 1 1359 127 127 TRP C C 179.2 0.2 1 1360 127 127 TRP CA C 61.4 0.2 1 1361 127 127 TRP CB C 30.3 0.2 1 1362 127 127 TRP CD1 C 126.7 0.2 1 1363 127 127 TRP CE3 C 119.8 0.2 1 1364 127 127 TRP CZ2 C 115.1 0.2 1 1365 127 127 TRP CZ3 C 121.4 0.2 1 1366 127 127 TRP CH2 C 123.8 0.2 1 1367 127 127 TRP N N 123.2 0.2 1 1368 128 128 ALA H H 8.86 0.02 1 1369 128 128 ALA HA H 4.07 0.02 1 1370 128 128 ALA HB H 1.65 0.02 1 1371 128 128 ALA C C 181 0.2 1 1372 128 128 ALA CA C 56.2 0.2 1 1373 128 128 ALA CB C 17.8 0.2 1 1374 128 128 ALA N N 121.0 0.2 1 1375 129 129 HIS H H 7.85 0.02 1 1376 129 129 HIS HA H 4.34 0.02 1 1377 129 129 HIS HB2 H 2.96 0.02 2 1378 129 129 HIS HB3 H 3.09 0.02 2 1379 129 129 HIS HD2 H 6.91 0.02 1 1380 129 129 HIS HE1 H 7.91 0.02 1 1381 129 129 HIS C C 178.8 0.2 1 1382 129 129 HIS CA C 59.6 0.2 1 1383 129 129 HIS CB C 30.6 0.2 1 1384 129 129 HIS CD2 C 119.8 0.2 1 1385 129 129 HIS CE1 C 137.7 0.2 1 1386 129 129 HIS N N 117.6 0.2 1 1387 129 129 HIS ND1 N 209.7 0.2 1 1388 129 129 HIS NE2 N 178.7 0.2 1 1389 130 130 TYR H H 8.95 0.02 1 1390 130 130 TYR HA H 4.2 0.02 1 1391 130 130 TYR HB2 H 2.86 0.02 2 1392 130 130 TYR HB3 H 3.6 0.02 2 1393 130 130 TYR HD1 H 6.34 0.02 3 1394 130 130 TYR HD2 H 6.34 0.02 3 1395 130 130 TYR HE1 H 6.11 0.02 3 1396 130 130 TYR HE2 H 6.11 0.02 3 1397 130 130 TYR C C 178.9 0.2 1 1398 130 130 TYR CA C 65.9 0.2 1 1399 130 130 TYR CB C 37.6 0.2 1 1400 130 130 TYR CD1 C 133.7 0.2 3 1401 130 130 TYR CD2 C 133.7 0.2 3 1402 130 130 TYR CE1 C 116.1 0.2 3 1403 130 130 TYR CE2 C 116.1 0.2 3 1404 130 130 TYR N N 119 0.2 1 1405 131 131 LEU H H 9.92 0.02 1 1406 131 131 LEU HA H 4.3 0.02 1 1407 131 131 LEU HB2 H 1.22 0.02 2 1408 131 131 LEU HB3 H 2.24 0.02 2 1409 131 131 LEU HG H 2.42 0.02 1 1410 131 131 LEU HD1 H 0.74 0.02 2 1411 131 131 LEU HD2 H 0.78 0.02 2 1412 131 131 LEU C C 181.2 0.2 1 1413 131 131 LEU CA C 58 0.2 1 1414 131 131 LEU CB C 40.7 0.2 1 1415 131 131 LEU CG C 27.8 0.2 1 1416 131 131 LEU CD1 C 25.7 0.2 2 1417 131 131 LEU CD2 C 22.4 0.2 2 1418 131 131 LEU N N 119.3 0.2 1 1419 132 132 GLY H H 7.84 0.02 1 1420 132 132 GLY HA2 H 3.93 0.02 2 1421 132 132 GLY HA3 H 4.10 0.02 2 1422 132 132 GLY C C 176.2 0.2 1 1423 132 132 GLY CA C 47.5 0.2 1 1424 132 132 GLY N N 110.4 0.2 1 1425 133 133 ARG H H 7.40 0.02 1 1426 133 133 ARG HA H 4.1 0.02 1 1427 133 133 ARG HB2 H 2.23 0.02 2 1428 133 133 ARG HB3 H 2.54 0.02 2 1429 133 133 ARG HG2 H 1.41 0.02 2 1430 133 133 ARG HG3 H 1.69 0.02 2 1431 133 133 ARG HD2 H 3.03 0.02 2 1432 133 133 ARG HD3 H 3.17 0.02 2 1433 133 133 ARG HE H 8.05 0.02 1 1434 133 133 ARG C C 178.4 0.2 1 1435 133 133 ARG CA C 60.9 0.2 1 1436 133 133 ARG CB C 31.2 0.2 1 1437 133 133 ARG CG C 29 0.2 1 1438 133 133 ARG CD C 43.3 0.2 1 1439 133 133 ARG N N 123.4 0.2 1 1440 133 133 ARG NE N 80.0 0.2 1 1441 134 134 LEU H H 8.66 0.02 1 1442 134 134 LEU HA H 3.50 0.02 1 1443 134 134 LEU HB2 H 0.58 0.02 2 1444 134 134 LEU HB3 H 1.54 0.02 2 1445 134 134 LEU HG H 0.97 0.02 1 1446 134 134 LEU HD1 H -0.36 0.02 2 1447 134 134 LEU HD2 H 0.07 0.02 2 1448 134 134 LEU C C 177.6 0.2 1 1449 134 134 LEU CA C 58.1 0.2 1 1450 134 134 LEU CB C 40.3 0.2 1 1451 134 134 LEU CG C 26.2 0.2 1 1452 134 134 LEU CD1 C 21.5 0.2 2 1453 134 134 LEU CD2 C 26.4 0.2 2 1454 134 134 LEU N N 121.7 0.2 1 1455 135 135 THR H H 8.00 0.02 1 1456 135 135 THR HA H 3.77 0.02 1 1457 135 135 THR HB H 4.62 0.02 1 1458 135 135 THR HG1 H 4.98 0.02 1 1459 135 135 THR HG2 H 1.34 0.02 1 1460 135 135 THR C C 176.8 0.2 1 1461 135 135 THR CA C 67.4 0.2 1 1462 135 135 THR CB C 68.6 0.2 1 1463 135 135 THR CG2 C 20.9 0.2 1 1464 135 135 THR N N 114.8 0.2 1 1465 136 136 GLU H H 7.37 0.02 1 1466 136 136 GLU HA H 3.96 0.02 1 1467 136 136 GLU HB2 H 1.95 0.02 2 1468 136 136 GLU HB3 H 2.25 0.02 2 1469 136 136 GLU HG2 H 2.37 0.02 2 1470 136 136 GLU HG3 H 2.46 0.02 2 1471 136 136 GLU C C 178 0.2 1 1472 136 136 GLU CA C 59.6 0.2 1 1473 136 136 GLU CB C 29.7 0.2 1 1474 136 136 GLU CG C 36.3 0.2 1 1475 136 136 GLU N N 120 0.2 1 1476 137 137 VAL H H 8.02 0.02 1 1477 137 137 VAL HA H 4.07 0.02 1 1478 137 137 VAL HB H 2.09 0.02 1 1479 137 137 VAL HG1 H 1.06 0.02 2 1480 137 137 VAL HG2 H 1.24 0.02 2 1481 137 137 VAL C C 181 0.2 1 1482 137 137 VAL CA C 66.2 0.2 1 1483 137 137 VAL CB C 32.1 0.2 1 1484 137 137 VAL CG1 C 22.7 0.2 2 1485 137 137 VAL CG2 C 24.6 0.2 2 1486 137 137 VAL N N 119.1 0.2 1 1487 138 138 ALA H H 9.21 0.02 1 1488 138 138 ALA HA H 3.90 0.02 1 1489 138 138 ALA HB H 1.28 0.02 1 1490 138 138 ALA C C 176.7 0.2 1 1491 138 138 ALA CA C 54.7 0.2 1 1492 138 138 ALA CB C 18.3 0.2 1 1493 138 138 ALA N N 123.8 0.2 1 1494 139 139 ALA H H 7.26 0.02 1 1495 139 139 ALA HA H 4.41 0.02 1 1496 139 139 ALA HB H 1.60 0.02 1 1497 139 139 ALA C C 177.4 0.2 1 1498 139 139 ALA CA C 51.9 0.2 1 1499 139 139 ALA CB C 18.6 0.2 1 1500 139 139 ALA N N 116.8 0.2 1 1501 140 140 GLY H H 8.12 0.02 1 1502 140 140 GLY HA2 H 3.82 0.02 2 1503 140 140 GLY HA3 H 4.2 0.02 2 1504 140 140 GLY C C 174.5 0.2 1 1505 140 140 GLY CA C 45.6 0.2 1 1506 140 140 GLY N N 107 0.2 1 1507 141 141 ARG H H 8.19 0.02 1 1508 141 141 ARG HA H 4.56 0.02 1 1509 141 141 ARG HB2 H 1.69 0.02 2 1510 141 141 ARG HB3 H 1.74 0.02 2 1511 141 141 ARG HG2 H 1.46 0.02 2 1512 141 141 ARG HG3 H 1.46 0.02 2 1513 141 141 ARG HD2 H 3.12 0.02 2 1514 141 141 ARG HD3 H 3.39 0.02 2 1515 141 141 ARG HE H 8.36 0.02 1 1516 141 141 ARG C C 174.6 0.2 1 1517 141 141 ARG CA C 55.1 0.2 1 1518 141 141 ARG CB C 33.2 0.2 1 1519 141 141 ARG CG C 29.2 0.2 1 1520 141 141 ARG CD C 43.4 0.2 1 1521 141 141 ARG N N 120.3 0.2 1 1522 141 141 ARG NE N 84.9 0.2 1 1523 142 142 ASP H H 8.45 0.02 1 1524 142 142 ASP HA H 4.98 0.02 1 1525 142 142 ASP HB2 H 2.64 0.02 2 1526 142 142 ASP HB3 H 2.89 0.02 2 1527 142 142 ASP CA C 50.8 0.2 1 1528 142 142 ASP CB C 42.1 0.2 1 1529 142 142 ASP N N 120.9 0.2 1 1530 143 143 PRO HA H 4.57 0.02 1 1531 143 143 PRO HB2 H 2.2 0.02 2 1532 143 143 PRO HB3 H 2.2 0.02 2 1533 143 143 PRO HG2 H 2.23 0.02 2 1534 143 143 PRO HG3 H 2.29 0.02 2 1535 143 143 PRO HD2 H 4.33 0.02 2 1536 143 143 PRO HD3 H 3.95 0.02 2 1537 143 143 PRO C C 176.5 0.2 1 1538 143 143 PRO CA C 63.7 0.2 1 1539 143 143 PRO CB C 32.4 0.2 1 1540 143 143 PRO CG C 26.4 0.2 1 1541 143 143 PRO CD C 51.1 0.2 1 1542 144 144 GLY H H 8.50 0.02 1 1543 144 144 GLY HA2 H 3.92 0.02 2 1544 144 144 GLY HA3 H 4.24 0.02 2 1545 144 144 GLY CA C 44.7 0.2 1 1546 144 144 GLY N N 109.6 0.2 1 1547 145 145 PRO HA H 4.36 0.02 1 1548 145 145 PRO HB2 H 2.25 0.02 2 1549 145 145 PRO HB3 H 1.81 0.02 2 1550 145 145 PRO HG2 H 1.97 0.02 2 1551 145 145 PRO HG3 H 2.07 0.02 2 1552 145 145 PRO HD2 H 3.64 0.02 2 1553 145 145 PRO HD3 H 3.64 0.02 2 1554 145 145 PRO C C 177.2 0.2 1 1555 145 145 PRO CA C 62.9 0.2 1 1556 145 145 PRO CB C 31.8 0.2 1 1557 145 145 PRO CG C 27.5 0.2 1 1558 145 145 PRO CD C 49.6 0.2 1 1559 146 146 ASP H H 9.11 0.02 1 1560 146 146 ASP HA H 4.9 0.02 1 1561 146 146 ASP HB2 H 2.69 0.02 2 1562 146 146 ASP HB3 H 3.04 0.02 2 1563 146 146 ASP CA C 52.0 0.2 1 1564 146 146 ASP CB C 42 0.2 1 1565 146 146 ASP N N 124.2 0.2 1 1566 147 147 PRO HA H 4.61 0.02 1 1567 147 147 PRO HB2 H 2.45 0.02 2 1568 147 147 PRO HB3 H 1.95 0.02 2 1569 147 147 PRO HG2 H 2 0.02 2 1570 147 147 PRO HG3 H 2.20 0.02 2 1571 147 147 PRO HD2 H 4.42 0.02 2 1572 147 147 PRO HD3 H 4.26 0.02 2 1573 147 147 PRO C C 177.5 0.2 1 1574 147 147 PRO CA C 64.2 0.2 1 1575 147 147 PRO CB C 32.3 0.2 1 1576 147 147 PRO CG C 27.4 0.2 1 1577 147 147 PRO CD C 51.8 0.2 1 1578 148 148 PHE H H 8.12 0.02 1 1579 148 148 PHE HA H 4.37 0.02 1 1580 148 148 PHE HB2 H 3.21 0.02 2 1581 148 148 PHE HB3 H 3.44 0.02 2 1582 148 148 PHE HD1 H 6.73 0.02 3 1583 148 148 PHE HD2 H 6.73 0.02 3 1584 148 148 PHE C C 175.2 0.2 1 1585 148 148 PHE CA C 56.6 0.2 1 1586 148 148 PHE CB C 37.6 0.2 1 1587 148 148 PHE N N 118.6 0.2 1 1588 149 149 TYR H H 7.81 0.02 1 1589 149 149 TYR HA H 4.46 0.02 1 1590 149 149 TYR HB2 H 2.96 0.02 2 1591 149 149 TYR HB3 H 3.29 0.02 2 1592 149 149 TYR HD1 H 7.07 0.02 3 1593 149 149 TYR HD2 H 7.07 0.02 3 1594 149 149 TYR HE1 H 6.79 0.02 3 1595 149 149 TYR HE2 H 6.79 0.02 3 1596 149 149 TYR C C 177.6 0.2 1 1597 149 149 TYR CA C 60 0.2 1 1598 149 149 TYR CB C 38.4 0.2 1 1599 149 149 TYR CD1 C 133.5 0.2 3 1600 149 149 TYR CD2 C 133.5 0.2 3 1601 149 149 TYR CE1 C 118.0 0.2 3 1602 149 149 TYR CE2 C 118.0 0.2 3 1603 149 149 TYR N N 120.5 0.2 1 1604 150 150 GLY H H 8.83 0.02 1 1605 150 150 GLY HA2 H 3.2 0.02 2 1606 150 150 GLY HA3 H 3.84 0.02 2 1607 150 150 GLY C C 174.1 0.2 1 1608 150 150 GLY CA C 45.1 0.2 1 1609 150 150 GLY N N 114.9 0.2 1 1610 151 151 ARG H H 7.94 0.02 1 1611 151 151 ARG HA H 4.1 0.02 1 1612 151 151 ARG HB2 H 1.56 0.02 2 1613 151 151 ARG HB3 H 1.68 0.02 2 1614 151 151 ARG HG2 H 1.41 0.02 2 1615 151 151 ARG HG3 H 1.51 0.02 2 1616 151 151 ARG HD2 H 2.69 0.02 2 1617 151 151 ARG HD3 H 3.07 0.02 2 1618 151 151 ARG HE H 6.76 0.02 1 1619 151 151 ARG CA C 56.9 0.2 1 1620 151 151 ARG CB C 31.1 0.2 1 1621 151 151 ARG CG C 27.4 0.2 1 1622 151 151 ARG CD C 43.3 0.2 1 1623 151 151 ARG N N 119.6 0.2 1 1624 152 152 ARG H H 8.48 0.02 1 1625 154 154 GLU HA H 4.69 0.02 1 1626 154 154 GLU HB2 H 1.84 0.02 2 1627 154 154 GLU HB3 H 2.00 0.02 2 1628 154 154 GLU HG2 H 1.89 0.02 2 1629 154 154 GLU HG3 H 2.02 0.02 2 1630 154 154 GLU CA C 53.2 0.2 1 1631 154 154 GLU CB C 31.0 0.2 1 1632 154 154 GLU CG C 34.5 0.2 1 1633 159 159 HIS HA H 4.59 0.02 1 1634 159 159 HIS HB2 H 3.1 0.02 2 1635 159 159 HIS HB3 H 3.1 0.02 2 1636 159 159 HIS C C 173.9 0.2 1 1637 159 159 HIS CA C 55.9 0.2 1 1638 159 159 HIS CB C 30.1 0.2 1 1639 160 160 HIS H H 8.13 0.02 1 1640 160 160 HIS CA C 57.4 0.2 1 1641 160 160 HIS CB C 30.1 0.2 1 1642 160 160 HIS N N 125.3 0.2 1 stop_ save_