data_18989 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160. ; _BMRB_accession_number 18989 _BMRB_flat_file_name bmr18989.str _Entry_type original _Submission_date 2013-01-30 _Accession_date 2013-01-30 _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 Lee Dan . . 4 Ciccosanti Colleen . . 5 Sapin Ari . . 6 Janjua Haleema . . 7 Nair Rajesh . . 8 Rost Burkhard . . 9 Acton Thomas B. . 10 Xiao Rong . . 11 Everett John K. . 12 Montelione Gaetano T. . 13 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" 871 "13C chemical shifts" 643 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 original author . stop_ _Original_release_date 2013-02-11 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160.' _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 Lee Dan . . 4 Ciccosanti Colleen . . 5 Sapin Ari . . 6 Janjua Haleema . . 7 Nair Rajesh . . 8 Rost Burkhard . . 9 Acton Thomas B. . 10 Xiao Rong . . 11 Everett John K. . 12 Montelione Gaetano T. . 13 Kennedy Michael A. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword NESG NMR 'Polyketide_cyc-like protein Cgl2372' solution stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CgR160 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CgR160 $CgR160 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_CgR160 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CgR160 _Molecular_mass 18809.209 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; MPKSLTFEDSINIAAPINQV YALVSDITRTGEWSPVCEKC WWDEDEGPVVGAHFTGRNVT PERTWETRSEVIVAEPNRCF GWSVTDGNVKWIYSMEPLEE GTVLTESWEFTPKGQRFFHD KFGDKSIEEIEKRRLAAITG IPETLVAIQRILEVELEHHH HHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 PRO 3 3 LYS 4 4 SER 5 5 LEU 6 6 THR 7 7 PHE 8 8 GLU 9 9 ASP 10 10 SER 11 11 ILE 12 12 ASN 13 13 ILE 14 14 ALA 15 15 ALA 16 16 PRO 17 17 ILE 18 18 ASN 19 19 GLN 20 20 VAL 21 21 TYR 22 22 ALA 23 23 LEU 24 24 VAL 25 25 SER 26 26 ASP 27 27 ILE 28 28 THR 29 29 ARG 30 30 THR 31 31 GLY 32 32 GLU 33 33 TRP 34 34 SER 35 35 PRO 36 36 VAL 37 37 CYS 38 38 GLU 39 39 LYS 40 40 CYS 41 41 TRP 42 42 TRP 43 43 ASP 44 44 GLU 45 45 ASP 46 46 GLU 47 47 GLY 48 48 PRO 49 49 VAL 50 50 VAL 51 51 GLY 52 52 ALA 53 53 HIS 54 54 PHE 55 55 THR 56 56 GLY 57 57 ARG 58 58 ASN 59 59 VAL 60 60 THR 61 61 PRO 62 62 GLU 63 63 ARG 64 64 THR 65 65 TRP 66 66 GLU 67 67 THR 68 68 ARG 69 69 SER 70 70 GLU 71 71 VAL 72 72 ILE 73 73 VAL 74 74 ALA 75 75 GLU 76 76 PRO 77 77 ASN 78 78 ARG 79 79 CYS 80 80 PHE 81 81 GLY 82 82 TRP 83 83 SER 84 84 VAL 85 85 THR 86 86 ASP 87 87 GLY 88 88 ASN 89 89 VAL 90 90 LYS 91 91 TRP 92 92 ILE 93 93 TYR 94 94 SER 95 95 MET 96 96 GLU 97 97 PRO 98 98 LEU 99 99 GLU 100 100 GLU 101 101 GLY 102 102 THR 103 103 VAL 104 104 LEU 105 105 THR 106 106 GLU 107 107 SER 108 108 TRP 109 109 GLU 110 110 PHE 111 111 THR 112 112 PRO 113 113 LYS 114 114 GLY 115 115 GLN 116 116 ARG 117 117 PHE 118 118 PHE 119 119 HIS 120 120 ASP 121 121 LYS 122 122 PHE 123 123 GLY 124 124 ASP 125 125 LYS 126 126 SER 127 127 ILE 128 128 GLU 129 129 GLU 130 130 ILE 131 131 GLU 132 132 LYS 133 133 ARG 134 134 ARG 135 135 LEU 136 136 ALA 137 137 ALA 138 138 ILE 139 139 THR 140 140 GLY 141 141 ILE 142 142 PRO 143 143 GLU 144 144 THR 145 145 LEU 146 146 VAL 147 147 ALA 148 148 ILE 149 149 GLN 150 150 ARG 151 151 ILE 152 152 LEU 153 153 GLU 154 154 VAL 155 155 GLU 156 156 LEU 157 157 GLU 158 158 HIS 159 159 HIS 160 160 HIS 161 161 HIS 162 162 HIS 163 163 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 2M47 "Solution Nmr Structure Of The Polyketide_cyc-like Protein Cgl2372 From Corynebacterium Glutamicum, Northeast Structural Genomic" 100.00 163 100.00 100.00 4.03e-115 DBJ BAB99766 "Hypothetical protein [Corynebacterium glutamicum ATCC 13032]" 95.09 155 100.00 100.00 3.59e-108 DBJ BAF55259 "hypothetical protein cgR_2255 [Corynebacterium glutamicum R]" 95.09 155 100.00 100.00 3.59e-108 EMBL CAF21038 "conserved hypothetical protein [Corynebacterium glutamicum ATCC 13032]" 95.09 155 100.00 100.00 3.59e-108 EMBL CCH25510 "hypothetical protein WA5_2290 [Corynebacterium glutamicum K051]" 95.09 155 100.00 100.00 3.59e-108 GB AGN19875 "hypothetical protein C624_11520 [Corynebacterium glutamicum SCgG1]" 95.09 155 100.00 100.00 3.59e-108 GB AGN22900 "hypothetical protein C629_11530 [Corynebacterium glutamicum SCgG2]" 95.09 155 100.00 100.00 3.59e-108 GB AGT06101 "hypothetical protein cgp_2606 [Corynebacterium glutamicum MB001]" 95.09 155 100.00 100.00 3.59e-108 GB AIK85798 "polyketide cyclase [Corynebacterium glutamicum]" 95.09 155 100.00 100.00 3.59e-108 GB AIK88583 "polyketide cyclase [Corynebacterium glutamicum]" 95.09 155 100.00 100.00 3.59e-108 REF NP_601574 "hypothetical protein NCgl2290 [Corynebacterium glutamicum ATCC 13032]" 95.09 155 100.00 100.00 3.59e-108 REF WP_003859290 "MULTISPECIES: polyketide cyclase [Corynebacterium]" 95.09 155 100.00 100.00 3.59e-108 REF WP_040967737 "polyketide cyclase [Corynebacterium glutamicum]" 95.09 155 99.35 99.35 1.97e-107 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 $CgR160 'High GC Gram+' 1718 Bacteria . Corynebacterium glutamicum 'cg2606, Cgl2373' 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 $CgR160 'recombinant technology' . Escherichia coli BL21(DE3)pMgK CgR160-21.8 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.76 mM CgR160.003, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CgR160 0.76 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.83 mM CgR160.005, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CgR160 0.83 mM '[U-5% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # 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_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_4D_CC-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC-Histidine_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-Histidine' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NH2_only_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 CgR160 _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 PRO HA H 4.40 0.02 1 2 2 2 PRO HB2 H 2.45 0.02 2 3 2 2 PRO HB3 H 1.97 0.02 2 4 2 2 PRO HG2 H 2.03 0.02 2 5 2 2 PRO HG3 H 1.94 0.02 2 6 2 2 PRO HD2 H 3.37 0.02 2 7 2 2 PRO HD3 H 3.37 0.02 2 8 2 2 PRO CA C 62.4 0.2 1 9 2 2 PRO CB C 32.8 0.2 1 10 2 2 PRO CG C 26.7 0.2 1 11 2 2 PRO CD C 49.5 0.2 1 12 3 3 LYS HA H 4.48 0.02 1 13 3 3 LYS HB2 H 1.88 0.02 2 14 3 3 LYS HB3 H 1.78 0.02 2 15 3 3 LYS HG2 H 1.46 0.02 2 16 3 3 LYS HG3 H 1.46 0.02 2 17 3 3 LYS HD2 H 1.69 0.02 2 18 3 3 LYS HD3 H 1.69 0.02 2 19 3 3 LYS HE2 H 3 0.02 2 20 3 3 LYS HE3 H 3 0.02 2 21 3 3 LYS C C 176.6 0.2 1 22 3 3 LYS CA C 55.9 0.2 1 23 3 3 LYS CB C 34.2 0.2 1 24 3 3 LYS CG C 24.6 0.2 1 25 3 3 LYS CD C 29.2 0.2 1 26 3 3 LYS CE C 42 0.2 1 27 4 4 SER H H 8.72 0.02 1 28 4 4 SER HA H 4.22 0.02 1 29 4 4 SER HB2 H 3.6 0.02 2 30 4 4 SER HB3 H 3.57 0.02 2 31 4 4 SER C C 174.1 0.2 1 32 4 4 SER CA C 59.7 0.2 1 33 4 4 SER CB C 63.7 0.2 1 34 4 4 SER N N 117.8 0.2 1 35 5 5 LEU H H 8.06 0.02 1 36 5 5 LEU HA H 4.8 0.02 1 37 5 5 LEU HB2 H 1.77 0.02 2 38 5 5 LEU HB3 H 1.68 0.02 2 39 5 5 LEU HG H 1.7 0.02 1 40 5 5 LEU HD1 H 0.87 0.02 2 41 5 5 LEU HD2 H 0.94 0.02 2 42 5 5 LEU C C 175.5 0.2 1 43 5 5 LEU CA C 54 0.2 1 44 5 5 LEU CB C 43.2 0.2 1 45 5 5 LEU CG C 27.1 0.2 1 46 5 5 LEU CD1 C 25.9 0.2 2 47 5 5 LEU CD2 C 23.6 0.2 2 48 5 5 LEU N N 124.7 0.2 1 49 6 6 THR H H 8.29 0.02 1 50 6 6 THR HA H 5.62 0.02 1 51 6 6 THR HB H 4.27 0.02 1 52 6 6 THR HG2 H 0.95 0.02 1 53 6 6 THR C C 174.5 0.2 1 54 6 6 THR CA C 59.7 0.2 1 55 6 6 THR CB C 73 0.2 1 56 6 6 THR CG2 C 21.5 0.2 1 57 6 6 THR N N 111.2 0.2 1 58 7 7 PHE H H 8.75 0.02 1 59 7 7 PHE HA H 4.75 0.02 1 60 7 7 PHE HB2 H 3.53 0.02 2 61 7 7 PHE HB3 H 2.59 0.02 2 62 7 7 PHE HD1 H 7.23 0.02 3 63 7 7 PHE HD2 H 7.23 0.02 3 64 7 7 PHE C C 172.1 0.2 1 65 7 7 PHE CA C 59.3 0.2 1 66 7 7 PHE CB C 43.5 0.2 1 67 7 7 PHE N N 120.7 0.2 1 68 8 8 GLU H H 6.78 0.02 1 69 8 8 GLU HA H 5.38 0.02 1 70 8 8 GLU HB2 H 1.92 0.02 2 71 8 8 GLU HB3 H 1.71 0.02 2 72 8 8 GLU HG2 H 1.94 0.02 2 73 8 8 GLU HG3 H 1.81 0.02 2 74 8 8 GLU C C 172.5 0.2 1 75 8 8 GLU CA C 54.5 0.2 1 76 8 8 GLU CB C 33.5 0.2 1 77 8 8 GLU CG C 34.9 0.2 1 78 8 8 GLU N N 122.1 0.2 1 79 9 9 ASP H H 8.3 0.02 1 80 9 9 ASP HA H 4.82 0.02 1 81 9 9 ASP HB2 H 2.67 0.02 2 82 9 9 ASP HB3 H 2.49 0.02 2 83 9 9 ASP C C 173.5 0.2 1 84 9 9 ASP CA C 53.1 0.2 1 85 9 9 ASP CB C 45.1 0.2 1 86 9 9 ASP N N 117.4 0.2 1 87 10 10 SER H H 8.57 0.02 1 88 10 10 SER HA H 5.99 0.02 1 89 10 10 SER HB2 H 3.71 0.02 2 90 10 10 SER HB3 H 3.47 0.02 2 91 10 10 SER C C 172.6 0.2 1 92 10 10 SER CA C 57.3 0.2 1 93 10 10 SER CB C 68.1 0.2 1 94 10 10 SER N N 113.6 0.2 1 95 11 11 ILE H H 9.36 0.02 1 96 11 11 ILE HA H 4.52 0.02 1 97 11 11 ILE HB H 1.61 0.02 1 98 11 11 ILE HG12 H 1.71 0.02 2 99 11 11 ILE HG13 H 1.22 0.02 2 100 11 11 ILE HG2 H 0.9 0.02 1 101 11 11 ILE HD1 H 0.82 0.02 1 102 11 11 ILE C C 171.3 0.2 1 103 11 11 ILE CA C 61 0.2 1 104 11 11 ILE CB C 43.4 0.2 1 105 11 11 ILE CG1 C 30.2 0.2 1 106 11 11 ILE CG2 C 17.2 0.2 1 107 11 11 ILE CD1 C 15.2 0.2 1 108 11 11 ILE N N 122.7 0.2 1 109 12 12 ASN H H 8.19 0.02 1 110 12 12 ASN HA H 5.28 0.02 1 111 12 12 ASN HB2 H 2.71 0.02 2 112 12 12 ASN HB3 H 2.66 0.02 2 113 12 12 ASN HD21 H 7.29 0.02 2 114 12 12 ASN HD22 H 6.55 0.02 2 115 12 12 ASN C C 174.7 0.2 1 116 12 12 ASN CA C 52.3 0.2 1 117 12 12 ASN CB C 38.6 0.2 1 118 12 12 ASN N N 124.6 0.2 1 119 12 12 ASN ND2 N 109.6 0.2 1 120 13 13 ILE H H 9.53 0.02 1 121 13 13 ILE HA H 4.45 0.02 1 122 13 13 ILE HB H 1.6 0.02 1 123 13 13 ILE HG12 H 1.75 0.02 2 124 13 13 ILE HG13 H 0.66 0.02 2 125 13 13 ILE HG2 H 0.95 0.02 1 126 13 13 ILE HD1 H 0.69 0.02 1 127 13 13 ILE C C 175.3 0.2 1 128 13 13 ILE CA C 60.3 0.2 1 129 13 13 ILE CB C 41.6 0.2 1 130 13 13 ILE CG1 C 28.4 0.2 1 131 13 13 ILE CG2 C 19 0.2 1 132 13 13 ILE CD1 C 15.3 0.2 1 133 13 13 ILE N N 122.9 0.2 1 134 14 14 ALA H H 10.35 0.02 1 135 14 14 ALA HA H 4.7 0.02 1 136 14 14 ALA HB H 1.26 0.02 1 137 14 14 ALA C C 175.1 0.2 1 138 14 14 ALA CA C 51 0.2 1 139 14 14 ALA CB C 16.3 0.2 1 140 14 14 ALA N N 136.6 0.2 1 141 15 15 ALA H H 8.18 0.02 1 142 15 15 ALA HA H 4.76 0.02 1 143 15 15 ALA HB H 1.11 0.02 1 144 15 15 ALA CA C 50 0.2 1 145 15 15 ALA CB C 21.1 0.2 1 146 15 15 ALA N N 122.1 0.2 1 147 16 16 PRO HA H 4.61 0.02 1 148 16 16 PRO HB2 H 2.47 0.02 2 149 16 16 PRO HB3 H 2.1 0.02 2 150 16 16 PRO HG2 H 2.09 0.02 2 151 16 16 PRO HG3 H 2.03 0.02 2 152 16 16 PRO HD2 H 3.83 0.02 2 153 16 16 PRO HD3 H 3.53 0.02 2 154 16 16 PRO C C 179.2 0.2 1 155 16 16 PRO CA C 62.1 0.2 1 156 16 16 PRO CB C 33.1 0.2 1 157 16 16 PRO CG C 28.1 0.2 1 158 16 16 PRO CD C 50.9 0.2 1 159 17 17 ILE H H 8.65 0.02 1 160 17 17 ILE HA H 3.99 0.02 1 161 17 17 ILE HB H 1.78 0.02 1 162 17 17 ILE HG12 H 1.35 0.02 2 163 17 17 ILE HG13 H 0.99 0.02 2 164 17 17 ILE HG2 H 1 0.02 1 165 17 17 ILE HD1 H 0.8 0.02 1 166 17 17 ILE C C 175.8 0.2 1 167 17 17 ILE CA C 65.7 0.2 1 168 17 17 ILE CB C 38.7 0.2 1 169 17 17 ILE CG1 C 29 0.2 1 170 17 17 ILE CG2 C 16.2 0.2 1 171 17 17 ILE CD1 C 15.6 0.2 1 172 17 17 ILE N N 124.4 0.2 1 173 18 18 ASN H H 8.3 0.02 1 174 18 18 ASN HA H 4.69 0.02 1 175 18 18 ASN HB2 H 2.82 0.02 2 176 18 18 ASN HB3 H 2.73 0.02 2 177 18 18 ASN HD21 H 7.8 0.02 2 178 18 18 ASN HD22 H 7.04 0.02 2 179 18 18 ASN C C 178.7 0.2 1 180 18 18 ASN CA C 55.8 0.2 1 181 18 18 ASN CB C 37.1 0.2 1 182 18 18 ASN N N 117.2 0.2 1 183 18 18 ASN ND2 N 114.3 0.2 1 184 19 19 GLN H H 7.48 0.02 1 185 19 19 GLN HA H 4.12 0.02 1 186 19 19 GLN HB2 H 2.07 0.02 2 187 19 19 GLN HB3 H 2.01 0.02 2 188 19 19 GLN HG2 H 2.41 0.02 2 189 19 19 GLN HG3 H 2.33 0.02 2 190 19 19 GLN HE21 H 7.55 0.02 2 191 19 19 GLN HE22 H 6.65 0.02 2 192 19 19 GLN C C 178.5 0.2 1 193 19 19 GLN CA C 58.3 0.2 1 194 19 19 GLN CB C 28.3 0.2 1 195 19 19 GLN CG C 34 0.2 1 196 19 19 GLN N N 120.3 0.2 1 197 19 19 GLN NE2 N 110.3 0.2 1 198 20 20 VAL H H 7.41 0.02 1 199 20 20 VAL HA H 3.45 0.02 1 200 20 20 VAL HB H 2.29 0.02 1 201 20 20 VAL HG1 H 0.75 0.02 2 202 20 20 VAL HG2 H 0.81 0.02 2 203 20 20 VAL C C 177.5 0.2 1 204 20 20 VAL CA C 66.2 0.2 1 205 20 20 VAL CB C 30.9 0.2 1 206 20 20 VAL CG1 C 23.5 0.2 2 207 20 20 VAL CG2 C 21.8 0.2 2 208 20 20 VAL N N 120.3 0.2 1 209 21 21 TYR H H 8.48 0.02 1 210 21 21 TYR HA H 3.58 0.02 1 211 21 21 TYR HB2 H 3.28 0.02 2 212 21 21 TYR HB3 H 3.02 0.02 2 213 21 21 TYR HD1 H 7.02 0.02 3 214 21 21 TYR HD2 H 7.02 0.02 3 215 21 21 TYR C C 177.8 0.2 1 216 21 21 TYR CA C 62.9 0.2 1 217 21 21 TYR CB C 38.4 0.2 1 218 21 21 TYR N N 118.8 0.2 1 219 22 22 ALA H H 7.93 0.02 1 220 22 22 ALA HA H 3.76 0.02 1 221 22 22 ALA HB H 1.49 0.02 1 222 22 22 ALA C C 178 0.2 1 223 22 22 ALA CA C 54.7 0.2 1 224 22 22 ALA CB C 18.5 0.2 1 225 22 22 ALA N N 120.4 0.2 1 226 23 23 LEU H H 7.05 0.02 1 227 23 23 LEU HA H 4.23 0.02 1 228 23 23 LEU HB2 H 1.7 0.02 2 229 23 23 LEU HB3 H 1.51 0.02 2 230 23 23 LEU HG H 1.64 0.02 1 231 23 23 LEU HD1 H 0.85 0.02 2 232 23 23 LEU HD2 H 0.76 0.02 2 233 23 23 LEU C C 177.2 0.2 1 234 23 23 LEU CA C 58 0.2 1 235 23 23 LEU CB C 42.4 0.2 1 236 23 23 LEU CG C 27 0.2 1 237 23 23 LEU CD1 C 20.9 0.2 2 238 23 23 LEU CD2 C 23.5 0.2 2 239 23 23 LEU N N 116.4 0.2 1 240 24 24 VAL H H 7.32 0.02 1 241 24 24 VAL HA H 3.36 0.02 1 242 24 24 VAL HB H 1.53 0.02 1 243 24 24 VAL HG1 H -0.03 0.02 2 244 24 24 VAL HG2 H 0.43 0.02 2 245 24 24 VAL C C 175.2 0.2 1 246 24 24 VAL CA C 64.3 0.2 1 247 24 24 VAL CB C 30.8 0.2 1 248 24 24 VAL CG1 C 21 0.2 2 249 24 24 VAL CG2 C 18.9 0.2 2 250 24 24 VAL N N 128.6 0.2 1 251 25 25 SER H H 6.99 0.02 1 252 25 25 SER HA H 2.52 0.02 1 253 25 25 SER HB2 H 3.17 0.02 2 254 25 25 SER HB3 H 2.22 0.02 2 255 25 25 SER HG H 3.91 0.02 1 256 25 25 SER CA C 58.2 0.2 1 257 25 25 SER CB C 63.6 0.2 1 258 25 25 SER N N 108.5 0.2 1 259 26 26 ASP H H 7.18 0.02 1 260 26 26 ASP HA H 4.91 0.02 1 261 26 26 ASP HB2 H 2.56 0.02 2 262 26 26 ASP HB3 H 2.56 0.02 2 263 26 26 ASP C C 175.5 0.2 1 264 26 26 ASP CA C 51.2 0.2 1 265 26 26 ASP CB C 38.1 0.2 1 266 27 27 ILE H H 6.52 0.02 1 267 27 27 ILE HA H 3.39 0.02 1 268 27 27 ILE HB H 0.8 0.02 1 269 27 27 ILE HG12 H -0.12 0.02 2 270 27 27 ILE HG13 H -1.38 0.02 2 271 27 27 ILE HG2 H -0.29 0.02 1 272 27 27 ILE HD1 H -0.83 0.02 1 273 27 27 ILE C C 178.9 0.2 1 274 27 27 ILE CA C 61.7 0.2 1 275 27 27 ILE CB C 36.6 0.2 1 276 27 27 ILE CG1 C 26.1 0.2 1 277 27 27 ILE CG2 C 20.8 0.2 1 278 27 27 ILE CD1 C 13.5 0.2 1 279 27 27 ILE N N 123.5 0.2 1 280 28 28 THR H H 7.65 0.02 1 281 28 28 THR HA H 4.35 0.02 1 282 28 28 THR HB H 4.39 0.02 1 283 28 28 THR HG2 H 1.41 0.02 1 284 28 28 THR C C 176.5 0.2 1 285 28 28 THR CA C 64 0.2 1 286 28 28 THR CB C 68.6 0.2 1 287 28 28 THR CG2 C 21.8 0.2 1 288 28 28 THR N N 112.5 0.2 1 289 29 29 ARG H H 7.52 0.02 1 290 29 29 ARG HA H 4.28 0.02 1 291 29 29 ARG HB2 H 1.59 0.02 2 292 29 29 ARG HB3 H 1.59 0.02 2 293 29 29 ARG HG2 H 1.70 0.02 2 294 29 29 ARG HG3 H 1.38 0.02 2 295 29 29 ARG CA C 56.2 0.2 1 296 29 29 ARG CB C 30.6 0.2 1 297 29 29 ARG CG C 27.2 0.2 1 298 29 29 ARG N N 121.1 0.2 1 299 30 30 THR H H 6.75 0.02 1 300 30 30 THR HA H 5.87 0.02 1 301 30 30 THR HB H 3.49 0.02 1 302 30 30 THR C C 174 0.2 1 303 30 30 THR CA C 66 0.2 1 304 30 30 THR CB C 69.4 0.2 1 305 31 31 GLY H H 8.16 0.02 1 306 31 31 GLY HA2 H 3.9 0.02 2 307 31 31 GLY HA3 H 3.48 0.02 2 308 31 31 GLY C C 175.2 0.2 1 309 31 31 GLY CA C 46.2 0.2 1 310 31 31 GLY N N 106.2 0.2 1 311 32 32 GLU H H 7.99 0.02 1 312 32 32 GLU HA H 3.97 0.02 1 313 32 32 GLU HB2 H 1.99 0.02 2 314 32 32 GLU HB3 H 1.62 0.02 2 315 32 32 GLU HG2 H 2.25 0.02 2 316 32 32 GLU HG3 H 2.16 0.02 2 317 32 32 GLU C C 177.5 0.2 1 318 32 32 GLU CA C 58.8 0.2 1 319 32 32 GLU CB C 29.8 0.2 1 320 32 32 GLU CG C 37.4 0.2 1 321 32 32 GLU N N 118.4 0.2 1 322 33 33 TRP H H 6.95 0.02 1 323 33 33 TRP HA H 4.94 0.02 1 324 33 33 TRP HB2 H 3.6 0.02 2 325 33 33 TRP HB3 H 2.79 0.02 2 326 33 33 TRP HE1 H 10.3 0.02 1 327 33 33 TRP C C 175.3 0.2 1 328 33 33 TRP CA C 56.4 0.2 1 329 33 33 TRP CB C 30.6 0.2 1 330 33 33 TRP N N 113.2 0.2 1 331 33 33 TRP NE1 N 129.6 0.2 1 332 34 34 SER H H 7.84 0.02 1 333 34 34 SER HA H 4.93 0.02 1 334 34 34 SER HB2 H 3.82 0.02 2 335 34 34 SER HB3 H 3.63 0.02 2 336 34 34 SER CA C 54.7 0.2 1 337 34 34 SER CB C 63 0.2 1 338 34 34 SER N N 118.6 0.2 1 339 35 35 PRO HA H 4.46 0.02 1 340 35 35 PRO HB2 H 2.35 0.02 2 341 35 35 PRO HB3 H 1.98 0.02 2 342 35 35 PRO HG2 H 1.98 0.02 2 343 35 35 PRO HG3 H 1.98 0.02 2 344 35 35 PRO HD2 H 3.74 0.02 2 345 35 35 PRO HD3 H 3.66 0.02 2 346 35 35 PRO C C 177.1 0.2 1 347 35 35 PRO CA C 64.5 0.2 1 348 35 35 PRO CB C 32.3 0.2 1 349 35 35 PRO CG C 27.1 0.2 1 350 36 36 VAL H H 7.34 0.02 1 351 36 36 VAL HA H 4.1 0.02 1 352 36 36 VAL HB H 1.99 0.02 1 353 36 36 VAL HG1 H 0.85 0.02 2 354 36 36 VAL C C 174.2 0.2 1 355 36 36 VAL CA C 62.9 0.2 1 356 36 36 VAL CB C 32.5 0.2 1 357 36 36 VAL CG1 C 20.9 0.2 2 358 36 36 VAL N N 113.9 0.2 1 359 37 37 CYS H H 7.77 0.02 1 360 37 37 CYS HA H 4.46 0.02 1 361 37 37 CYS HB2 H 2.45 0.02 2 362 37 37 CYS HB3 H 2.45 0.02 2 363 37 37 CYS C C 173.6 0.2 1 364 37 37 CYS CA C 58.5 0.2 1 365 37 37 CYS CB C 27 0.2 1 366 37 37 CYS N N 121 0.2 1 367 38 38 GLU H H 8.64 0.02 1 368 38 38 GLU HA H 4.14 0.02 1 369 38 38 GLU HB2 H 1.95 0.02 2 370 38 38 GLU HB3 H 1.88 0.02 2 371 38 38 GLU HG2 H 2.19 0.02 2 372 38 38 GLU HG3 H 2.07 0.02 2 373 38 38 GLU C C 176.5 0.2 1 374 38 38 GLU CA C 57.9 0.2 1 375 38 38 GLU CB C 31.8 0.2 1 376 38 38 GLU CG C 36.6 0.2 1 377 38 38 GLU N N 129.3 0.2 1 378 39 39 LYS H H 7.57 0.02 1 379 39 39 LYS HA H 4.47 0.02 1 380 39 39 LYS HB2 H 1.85 0.02 2 381 39 39 LYS HB3 H 1.78 0.02 2 382 39 39 LYS HG2 H 1.54 0.02 2 383 39 39 LYS HG3 H 1.43 0.02 2 384 39 39 LYS HD2 H 1.57 0.02 2 385 39 39 LYS HD3 H 1.4 0.02 2 386 39 39 LYS HE2 H 2.69 0.02 2 387 39 39 LYS HE3 H 2.69 0.02 2 388 39 39 LYS C C 173.6 0.2 1 389 39 39 LYS CA C 55.8 0.2 1 390 39 39 LYS CB C 36.5 0.2 1 391 39 39 LYS CG C 25.4 0.2 1 392 39 39 LYS CD C 29.4 0.2 1 393 39 39 LYS CE C 42 0.2 1 394 39 39 LYS N N 117.1 0.2 1 395 40 40 CYS H H 8.55 0.02 1 396 40 40 CYS HA H 5.41 0.02 1 397 40 40 CYS HB2 H 2.6 0.02 2 398 40 40 CYS HB3 H 2.6 0.02 2 399 40 40 CYS C C 173 0.2 1 400 40 40 CYS CA C 57.1 0.2 1 401 40 40 CYS CB C 30.1 0.2 1 402 40 40 CYS N N 125.1 0.2 1 403 41 41 TRP H H 8.67 0.02 1 404 41 41 TRP HA H 4.83 0.02 1 405 41 41 TRP HB2 H 3.26 0.02 2 406 41 41 TRP HB3 H 3.26 0.02 2 407 41 41 TRP HD1 H 7.16 0.02 1 408 41 41 TRP HE1 H 10.16 0.02 1 409 41 41 TRP HZ2 H 7.43 0.02 1 410 41 41 TRP HZ3 H 6.6 0.02 1 411 41 41 TRP HH2 H 6.98 0.02 1 412 41 41 TRP C C 174.1 0.2 1 413 41 41 TRP CA C 56.3 0.2 1 414 41 41 TRP CB C 32.4 0.2 1 415 41 41 TRP CD1 C 129.2 0.2 1 416 41 41 TRP CZ2 C 114.9 0.2 1 417 41 41 TRP CH2 C 123.7 0.2 1 418 41 41 TRP N N 124.3 0.2 1 419 41 41 TRP NE1 N 130.2 0.2 1 420 42 42 TRP H H 8.45 0.02 1 421 42 42 TRP HA H 4.83 0.02 1 422 42 42 TRP HB2 H 3.77 0.02 2 423 42 42 TRP HB3 H 3.15 0.02 2 424 42 42 TRP HD1 H 7.42 0.02 1 425 42 42 TRP HE1 H 10.8 0.02 1 426 42 42 TRP HZ2 H 7.65 0.02 1 427 42 42 TRP HH2 H 6.95 0.02 1 428 42 42 TRP C C 178.2 0.2 1 429 42 42 TRP CA C 57 0.2 1 430 42 42 TRP CB C 31.6 0.2 1 431 42 42 TRP CD1 C 127.8 0.2 1 432 42 42 TRP CZ2 C 114.4 0.2 1 433 42 42 TRP CH2 C 122.8 0.2 1 434 42 42 TRP N N 123.7 0.2 1 435 42 42 TRP NE1 N 129.3 0.2 1 436 43 43 ASP H H 8.73 0.02 1 437 43 43 ASP HA H 4.68 0.02 1 438 43 43 ASP HB2 H 3.05 0.02 2 439 43 43 ASP HB3 H 2.85 0.02 2 440 43 43 ASP C C 176.3 0.2 1 441 43 43 ASP CA C 56.3 0.2 1 442 43 43 ASP CB C 40.3 0.2 1 443 43 43 ASP N N 124.4 0.2 1 444 44 44 GLU H H 8.82 0.02 1 445 44 44 GLU HA H 4.27 0.02 1 446 44 44 GLU HB2 H 2.14 0.02 2 447 44 44 GLU HB3 H 2.06 0.02 2 448 44 44 GLU HG2 H 2.36 0.02 2 449 44 44 GLU HG3 H 2.36 0.02 2 450 44 44 GLU C C 176.5 0.2 1 451 44 44 GLU CA C 57.6 0.2 1 452 44 44 GLU CB C 30.2 0.2 1 453 44 44 GLU CG C 36.2 0.2 1 454 44 44 GLU N N 119.4 0.2 1 455 45 45 ASP H H 8.56 0.02 1 456 45 45 ASP HA H 4.48 0.02 1 457 45 45 ASP HB2 H 2.98 0.02 2 458 45 45 ASP HB3 H 2.85 0.02 2 459 45 45 ASP C C 175.9 0.2 1 460 45 45 ASP CA C 56 0.2 1 461 45 45 ASP CB C 40.2 0.2 1 462 45 45 ASP N N 118.3 0.2 1 463 46 46 GLU H H 8.22 0.02 1 464 46 46 GLU HA H 4.46 0.02 1 465 46 46 GLU HB2 H 2.23 0.02 2 466 46 46 GLU HB3 H 2.23 0.02 2 467 46 46 GLU HG2 H 2.41 0.02 2 468 46 46 GLU HG3 H 2.24 0.02 2 469 46 46 GLU C C 175.2 0.2 1 470 46 46 GLU CA C 56.6 0.2 1 471 46 46 GLU CB C 30.8 0.2 1 472 46 46 GLU CG C 37.3 0.2 1 473 46 46 GLU N N 118.2 0.2 1 474 47 47 GLY H H 6.68 0.02 1 475 47 47 GLY HA2 H 3.42 0.02 2 476 47 47 GLY HA3 H 3.42 0.02 2 477 47 47 GLY CA C 43.6 0.2 1 478 47 47 GLY N N 106.4 0.2 1 479 48 48 PRO HA H 4.59 0.02 1 480 48 48 PRO HB2 H 2.44 0.02 2 481 48 48 PRO HB3 H 2.28 0.02 2 482 48 48 PRO C C 173.4 0.2 1 483 48 48 PRO CA C 63.1 0.2 1 484 48 48 PRO CB C 29.1 0.2 1 485 48 48 PRO CD C 48.4 0.2 1 486 49 49 VAL H H 8.63 0.02 1 487 49 49 VAL HA H 4.61 0.02 1 488 49 49 VAL HB H 2.12 0.02 1 489 49 49 VAL HG1 H 0.85 0.02 2 490 49 49 VAL HG2 H 0.74 0.02 2 491 49 49 VAL C C 175.1 0.2 1 492 49 49 VAL CA C 59.3 0.2 1 493 49 49 VAL CB C 35.5 0.2 1 494 49 49 VAL CG1 C 21.5 0.2 2 495 49 49 VAL CG2 C 19.3 0.2 2 496 49 49 VAL N N 121.9 0.2 1 497 50 50 VAL H H 8.51 0.02 1 498 50 50 VAL HA H 3.3 0.02 1 499 50 50 VAL HB H 1.97 0.02 1 500 50 50 VAL HG1 H 0.94 0.02 2 501 50 50 VAL HG2 H 0.95 0.02 2 502 50 50 VAL C C 177.4 0.2 1 503 50 50 VAL CA C 66.2 0.2 1 504 50 50 VAL CB C 31.3 0.2 1 505 50 50 VAL CG1 C 22.8 0.2 2 506 50 50 VAL CG2 C 21.5 0.2 2 507 50 50 VAL N N 121.7 0.2 1 508 51 51 GLY H H 8.82 0.02 1 509 51 51 GLY HA2 H 4.42 0.02 2 510 51 51 GLY HA3 H 3.77 0.02 2 511 51 51 GLY C C 174.2 0.2 1 512 51 51 GLY CA C 44.6 0.2 1 513 51 51 GLY N N 115.8 0.2 1 514 52 52 ALA H H 8.08 0.02 1 515 52 52 ALA HA H 4.55 0.02 1 516 52 52 ALA HB H 1.97 0.02 1 517 52 52 ALA C C 177.3 0.2 1 518 52 52 ALA CA C 52.8 0.2 1 519 52 52 ALA CB C 23.1 0.2 1 520 52 52 ALA N N 123 0.2 1 521 53 53 HIS H H 9.28 0.02 1 522 53 53 HIS HA H 6.02 0.02 1 523 53 53 HIS HB2 H 3.26 0.02 2 524 53 53 HIS HB3 H 3.26 0.02 2 525 53 53 HIS HD2 H 7.22 0.02 1 526 53 53 HIS HE1 H 8.6 0.02 1 527 53 53 HIS C C 174.2 0.2 1 528 53 53 HIS CA C 55.2 0.2 1 529 53 53 HIS CB C 32.1 0.2 1 530 53 53 HIS CD2 C 119.2 0.2 1 531 53 53 HIS CE1 C 136.5 0.2 1 532 53 53 HIS N N 115.9 0.2 1 533 53 53 HIS ND1 N 183.2 0.2 1 534 53 53 HIS NE2 N 176.8 0.2 1 535 54 54 PHE H H 8.42 0.02 1 536 54 54 PHE HA H 5.15 0.02 1 537 54 54 PHE HB2 H 2.45 0.02 2 538 54 54 PHE HB3 H 2.18 0.02 2 539 54 54 PHE HD1 H 6.4 0.02 3 540 54 54 PHE HD2 H 6.4 0.02 3 541 54 54 PHE C C 172.6 0.2 1 542 54 54 PHE CA C 55.5 0.2 1 543 54 54 PHE CB C 41.7 0.2 1 544 54 54 PHE CD1 C 132.5 0.2 3 545 54 54 PHE CD2 C 132.5 0.2 3 546 54 54 PHE N N 115.8 0.2 1 547 55 55 THR H H 8.09 0.02 1 548 55 55 THR HA H 4.77 0.02 1 549 55 55 THR HB H 1.89 0.02 1 550 55 55 THR HG2 H 0.72 0.02 1 551 55 55 THR C C 171.8 0.2 1 552 55 55 THR CA C 61 0.2 1 553 55 55 THR CB C 70.2 0.2 1 554 55 55 THR CG2 C 22.2 0.2 1 555 55 55 THR N N 118.3 0.2 1 556 56 56 GLY H H 8.38 0.02 1 557 56 56 GLY HA2 H 3.28 0.02 2 558 56 56 GLY HA3 H 3.28 0.02 2 559 56 56 GLY C C 171.1 0.2 1 560 56 56 GLY CA C 44.3 0.2 1 561 56 56 GLY N N 110.5 0.2 1 562 57 57 ARG H H 8.82 0.02 1 563 57 57 ARG HA H 4.66 0.02 1 564 57 57 ARG HB2 H 1.98 0.02 2 565 57 57 ARG HB3 H 1.79 0.02 2 566 57 57 ARG HG2 H 1.5 0.02 2 567 57 57 ARG HG3 H 1.32 0.02 2 568 57 57 ARG HD2 H 3.22 0.02 2 569 57 57 ARG HD3 H 3.22 0.02 2 570 57 57 ARG C C 172.9 0.2 1 571 57 57 ARG CA C 55.3 0.2 1 572 57 57 ARG CB C 32.5 0.2 1 573 57 57 ARG CG C 28.1 0.2 1 574 57 57 ARG CD C 43.7 0.2 1 575 57 57 ARG N N 123.8 0.2 1 576 58 58 ASN H H 8.81 0.02 1 577 58 58 ASN HA H 5.06 0.02 1 578 58 58 ASN HB2 H 0.9 0.02 2 579 58 58 ASN HB3 H 0.4 0.02 2 580 58 58 ASN C C 173.1 0.2 1 581 58 58 ASN CA C 51.9 0.2 1 582 58 58 ASN CB C 38.8 0.2 1 583 58 58 ASN N N 127.2 0.2 1 584 59 59 VAL H H 8.71 0.02 1 585 59 59 VAL HA H 4.68 0.02 1 586 59 59 VAL HB H 1.83 0.02 1 587 59 59 VAL HG1 H 0.81 0.02 2 588 59 59 VAL HG2 H 0.87 0.02 2 589 59 59 VAL C C 175.1 0.2 1 590 59 59 VAL CA C 62.4 0.2 1 591 59 59 VAL CB C 35.8 0.2 1 592 59 59 VAL CG1 C 20.8 0.2 2 593 59 59 VAL CG2 C 21.1 0.2 2 594 59 59 VAL N N 121.4 0.2 1 595 60 60 THR H H 8.63 0.02 1 596 60 60 THR HA H 5 0.02 1 597 60 60 THR HB H 4.79 0.02 1 598 60 60 THR HG2 H 1.52 0.02 1 599 60 60 THR CA C 58.9 0.2 1 600 60 60 THR CB C 70.2 0.2 1 601 60 60 THR CG2 C 22.9 0.2 1 602 60 60 THR N N 118 0.2 1 603 61 61 PRO HA H 4.28 0.02 1 604 61 61 PRO HB2 H 2.42 0.02 2 605 61 61 PRO HB3 H 1.88 0.02 2 606 61 61 PRO HG2 H 2.19 0.02 2 607 61 61 PRO HG3 H 1.98 0.02 2 608 61 61 PRO HD2 H 3.88 0.02 2 609 61 61 PRO HD3 H 3.88 0.02 2 610 61 61 PRO C C 177.7 0.2 1 611 61 61 PRO CA C 65.5 0.2 1 612 61 61 PRO CB C 31.8 0.2 1 613 61 61 PRO CG C 28.4 0.2 1 614 61 61 PRO CD C 50.6 0.2 1 615 62 62 GLU H H 7.99 0.02 1 616 62 62 GLU HA H 4.28 0.02 1 617 62 62 GLU HB2 H 2.01 0.02 2 618 62 62 GLU HB3 H 1.96 0.02 2 619 62 62 GLU HG2 H 2.3 0.02 2 620 62 62 GLU HG3 H 2.22 0.02 2 621 62 62 GLU C C 176.5 0.2 1 622 62 62 GLU CA C 57.6 0.2 1 623 62 62 GLU CB C 31 0.2 1 624 62 62 GLU CG C 36.7 0.2 1 625 62 62 GLU N N 111.7 0.2 1 626 63 63 ARG H H 7.72 0.02 1 627 63 63 ARG HA H 4.69 0.02 1 628 63 63 ARG HB2 H 1.87 0.02 2 629 63 63 ARG HB3 H 1.74 0.02 2 630 63 63 ARG HG2 H 1.63 0.02 2 631 63 63 ARG HG3 H 1.49 0.02 2 632 63 63 ARG HD2 H 2.83 0.02 2 633 63 63 ARG HD3 H 2.72 0.02 2 634 63 63 ARG C C 174 0.2 1 635 63 63 ARG CA C 56.7 0.2 1 636 63 63 ARG CB C 33.7 0.2 1 637 63 63 ARG CG C 27.1 0.2 1 638 63 63 ARG CD C 43.4 0.2 1 639 63 63 ARG N N 118 0.2 1 640 64 64 THR H H 8.68 0.02 1 641 64 64 THR HA H 5.78 0.02 1 642 64 64 THR HB H 4.11 0.02 1 643 64 64 THR HG2 H 1.26 0.02 1 644 64 64 THR C C 174 0.2 1 645 64 64 THR CA C 61.6 0.2 1 646 64 64 THR CB C 71.7 0.2 1 647 64 64 THR CG2 C 20.8 0.2 1 648 64 64 THR N N 120.7 0.2 1 649 65 65 TRP H H 9.41 0.02 1 650 65 65 TRP HA H 5.17 0.02 1 651 65 65 TRP HB2 H 3.35 0.02 2 652 65 65 TRP HB3 H 3.35 0.02 2 653 65 65 TRP HD1 H 7.03 0.02 1 654 65 65 TRP HE1 H 10.07 0.02 1 655 65 65 TRP HZ2 H 7.42 0.02 1 656 65 65 TRP HH2 H 7.03 0.02 1 657 65 65 TRP C C 172.8 0.2 1 658 65 65 TRP CA C 57.3 0.2 1 659 65 65 TRP CB C 32.9 0.2 1 660 65 65 TRP CD1 C 127.9 0.2 1 661 65 65 TRP CZ2 C 114.5 0.2 1 662 65 65 TRP CH2 C 122.3 0.2 1 663 65 65 TRP N N 128 0.2 1 664 65 65 TRP NE1 N 128.9 0.2 1 665 66 66 GLU H H 8.81 0.02 1 666 66 66 GLU HA H 5.59 0.02 1 667 66 66 GLU HB2 H 1.93 0.02 2 668 66 66 GLU HB3 H 1.81 0.02 2 669 66 66 GLU HG2 H 2.37 0.02 2 670 66 66 GLU HG3 H 2.13 0.02 2 671 66 66 GLU C C 177.3 0.2 1 672 66 66 GLU CA C 54.2 0.2 1 673 66 66 GLU CB C 32.7 0.2 1 674 66 66 GLU CG C 37.2 0.2 1 675 66 66 GLU N N 120.8 0.2 1 676 67 67 THR H H 8.91 0.02 1 677 67 67 THR HA H 4.75 0.02 1 678 67 67 THR HB H 4.03 0.02 1 679 67 67 THR HG2 H 1.3 0.02 1 680 67 67 THR C C 173.3 0.2 1 681 67 67 THR CA C 59.5 0.2 1 682 67 67 THR CB C 71.5 0.2 1 683 67 67 THR CG2 C 22.8 0.2 1 684 67 67 THR N N 113.7 0.2 1 685 68 68 ARG H H 9 0.02 1 686 68 68 ARG HA H 4.86 0.02 1 687 68 68 ARG HB2 H 1.86 0.02 2 688 68 68 ARG HB3 H 1.7 0.02 2 689 68 68 ARG HG2 H 1.68 0.02 2 690 68 68 ARG HG3 H 1.68 0.02 2 691 68 68 ARG HD2 H 3.16 0.02 2 692 68 68 ARG HD3 H 3.09 0.02 2 693 68 68 ARG C C 175.7 0.2 1 694 68 68 ARG CA C 55 0.2 1 695 68 68 ARG CB C 31.7 0.2 1 696 68 68 ARG CG C 27.1 0.2 1 697 68 68 ARG CD C 42.8 0.2 1 698 68 68 ARG N N 125.3 0.2 1 699 69 69 SER H H 8.69 0.02 1 700 69 69 SER HA H 5.57 0.02 1 701 69 69 SER HB2 H 3.01 0.02 2 702 69 69 SER HB3 H 1.21 0.02 2 703 69 69 SER C C 172.2 0.2 1 704 69 69 SER CA C 58 0.2 1 705 69 69 SER CB C 66.7 0.2 1 706 69 69 SER N N 122 0.2 1 707 70 70 GLU H H 8.85 0.02 1 708 70 70 GLU HA H 5.2 0.02 1 709 70 70 GLU HB2 H 1.94 0.02 2 710 70 70 GLU HB3 H 1.79 0.02 2 711 70 70 GLU HG2 H 1.94 0.02 2 712 70 70 GLU HG3 H 1.65 0.02 2 713 70 70 GLU C C 176 0.2 1 714 70 70 GLU CA C 53.6 0.2 1 715 70 70 GLU CB C 34.7 0.2 1 716 70 70 GLU CG C 36.1 0.2 1 717 70 70 GLU N N 121.9 0.2 1 718 71 71 VAL H H 9.42 0.02 1 719 71 71 VAL HA H 4.25 0.02 1 720 71 71 VAL HB H 2.69 0.02 1 721 71 71 VAL HG1 H 0.94 0.02 2 722 71 71 VAL HG2 H 1.62 0.02 2 723 71 71 VAL C C 177.6 0.2 1 724 71 71 VAL CA C 64.8 0.2 1 725 71 71 VAL CB C 32.2 0.2 1 726 71 71 VAL CG1 C 22.8 0.2 2 727 71 71 VAL CG2 C 23.6 0.2 2 728 71 71 VAL N N 126.6 0.2 1 729 72 72 ILE H H 9.1 0.02 1 730 72 72 ILE HA H 4.73 0.02 1 731 72 72 ILE HB H 2.07 0.02 1 732 72 72 ILE HG12 H 1.3 0.02 2 733 72 72 ILE HG13 H 0.76 0.02 2 734 72 72 ILE HG2 H 1.02 0.02 1 735 72 72 ILE HD1 H 0.74 0.02 1 736 72 72 ILE C C 175.2 0.2 1 737 72 72 ILE CA C 62 0.2 1 738 72 72 ILE CB C 39.6 0.2 1 739 72 72 ILE CG1 C 26 0.2 1 740 72 72 ILE CG2 C 18.6 0.2 1 741 72 72 ILE CD1 C 13.9 0.2 1 742 72 72 ILE N N 123.2 0.2 1 743 73 73 VAL H H 7.57 0.02 1 744 73 73 VAL HA H 4.2 0.02 1 745 73 73 VAL HB H 2.09 0.02 1 746 73 73 VAL HG1 H 0.94 0.02 2 747 73 73 VAL HG2 H 0.97 0.02 2 748 73 73 VAL C C 172 0.2 1 749 73 73 VAL CA C 62.1 0.2 1 750 73 73 VAL CB C 34.7 0.2 1 751 73 73 VAL CG1 C 21 0.2 2 752 73 73 VAL CG2 C 21.5 0.2 2 753 73 73 VAL N N 121.7 0.2 1 754 74 74 ALA H H 8.94 0.02 1 755 74 74 ALA HA H 5.32 0.02 1 756 74 74 ALA HB H 1.46 0.02 1 757 74 74 ALA C C 174.9 0.2 1 758 74 74 ALA CA C 52.7 0.2 1 759 74 74 ALA CB C 18.3 0.2 1 760 74 74 ALA N N 131.1 0.2 1 761 75 75 GLU H H 9.46 0.02 1 762 75 75 GLU HA H 4.97 0.02 1 763 75 75 GLU HB2 H 2.04 0.02 2 764 75 75 GLU HB3 H 2.04 0.02 2 765 75 75 GLU HG2 H 2.26 0.02 2 766 75 75 GLU HG3 H 2.26 0.02 2 767 75 75 GLU CA C 52.1 0.2 1 768 75 75 GLU CB C 31.3 0.2 1 769 75 75 GLU CG C 35.5 0.2 1 770 75 75 GLU N N 126.1 0.2 1 771 76 76 PRO HA H 2.62 0.02 1 772 76 76 PRO HB2 H 1.97 0.02 2 773 76 76 PRO HB3 H 1.62 0.02 2 774 76 76 PRO HG2 H 2.1 0.02 2 775 76 76 PRO HG3 H 1.88 0.02 2 776 76 76 PRO HD2 H 4.18 0.02 2 777 76 76 PRO HD3 H 3.68 0.02 2 778 76 76 PRO CA C 63.9 0.2 1 779 76 76 PRO CB C 31.9 0.2 1 780 76 76 PRO CG C 27.4 0.2 1 781 76 76 PRO CD C 51.5 0.2 1 782 77 77 ASN H H 7.03 0.02 1 783 77 77 ASN HA H 3.76 0.02 1 784 77 77 ASN HB2 H 3.06 0.02 2 785 77 77 ASN HB3 H 2.73 0.02 2 786 77 77 ASN HD21 H 7.29 0.02 2 787 77 77 ASN HD22 H 6.60 0.02 2 788 77 77 ASN C C 172.7 0.2 1 789 77 77 ASN CA C 55.1 0.2 1 790 77 77 ASN CB C 36.9 0.2 1 791 77 77 ASN ND2 N 110.7 0.2 1 792 78 78 ARG H H 8.1 0.02 1 793 78 78 ARG HA H 4.9 0.02 1 794 78 78 ARG HB2 H 1.77 0.02 2 795 78 78 ARG HB3 H 1.6 0.02 2 796 78 78 ARG HG2 H 1.69 0.02 2 797 78 78 ARG HG3 H 1.69 0.02 2 798 78 78 ARG HD2 H 3.34 0.02 2 799 78 78 ARG HD3 H 3.34 0.02 2 800 78 78 ARG C C 176 0.2 1 801 78 78 ARG CA C 58.3 0.2 1 802 78 78 ARG CB C 34 0.2 1 803 78 78 ARG CG C 27.3 0.2 1 804 78 78 ARG CD C 43.4 0.2 1 805 78 78 ARG N N 115.3 0.2 1 806 79 79 CYS H H 9.02 0.02 1 807 79 79 CYS HA H 5.67 0.02 1 808 79 79 CYS HB2 H 3.06 0.02 2 809 79 79 CYS HB3 H 2.79 0.02 2 810 79 79 CYS C C 172.2 0.2 1 811 79 79 CYS CA C 58.2 0.2 1 812 79 79 CYS CB C 29.5 0.2 1 813 79 79 CYS N N 117.7 0.2 1 814 80 80 PHE H H 9.67 0.02 1 815 80 80 PHE HA H 5.52 0.02 1 816 80 80 PHE HB2 H 3.21 0.02 2 817 80 80 PHE HB3 H 2.85 0.02 2 818 80 80 PHE HD1 H 7.45 0.02 3 819 80 80 PHE HD2 H 7.45 0.02 3 820 80 80 PHE C C 173.4 0.2 1 821 80 80 PHE CA C 57.9 0.2 1 822 80 80 PHE CB C 43.8 0.2 1 823 80 80 PHE CD1 C 132.1 0.2 3 824 80 80 PHE CD2 C 132.1 0.2 3 825 80 80 PHE N N 129.5 0.2 1 826 81 81 GLY H H 8.93 0.02 1 827 81 81 GLY HA2 H 5.37 0.02 2 828 81 81 GLY HA3 H 3.79 0.02 2 829 81 81 GLY C C 171.9 0.2 1 830 81 81 GLY CA C 46.6 0.2 1 831 81 81 GLY N N 114.5 0.2 1 832 82 82 TRP H H 9.55 0.02 1 833 82 82 TRP HA H 5.79 0.02 1 834 82 82 TRP HB2 H 3.26 0.02 2 835 82 82 TRP HB3 H 3.2 0.02 2 836 82 82 TRP HD1 H 6.60 0.02 1 837 82 82 TRP HE1 H 9.94 0.02 1 838 82 82 TRP HZ2 H 6.90 0.02 1 839 82 82 TRP HH2 H 7.22 0.02 1 840 82 82 TRP C C 171.5 0.2 1 841 82 82 TRP CA C 57.4 0.2 1 842 82 82 TRP CB C 33.9 0.2 1 843 82 82 TRP CZ2 C 114.7 0.2 1 844 82 82 TRP CH2 C 125.0 0.2 1 845 82 82 TRP N N 121.7 0.2 1 846 82 82 TRP NE1 N 130.0 0.2 1 847 83 83 SER H H 9.45 0.02 1 848 83 83 SER HA H 5.68 0.02 1 849 83 83 SER HB2 H 3.76 0.02 2 850 83 83 SER HB3 H 3.76 0.02 2 851 83 83 SER C C 174.5 0.2 1 852 83 83 SER CA C 54.8 0.2 1 853 83 83 SER CB C 66.7 0.2 1 854 83 83 SER N N 113.6 0.2 1 855 84 84 VAL H H 9.22 0.02 1 856 84 84 VAL HA H 4.85 0.02 1 857 84 84 VAL HB H 2.17 0.02 1 858 84 84 VAL HG1 H 1.33 0.02 2 859 84 84 VAL HG2 H 1.42 0.02 2 860 84 84 VAL C C 176.5 0.2 1 861 84 84 VAL CA C 61.4 0.2 1 862 84 84 VAL CB C 34.6 0.2 1 863 84 84 VAL CG1 C 21.9 0.2 2 864 84 84 VAL CG2 C 22.1 0.2 2 865 84 84 VAL N N 125.4 0.2 1 866 85 85 THR H H 8.62 0.02 1 867 85 85 THR HA H 3.72 0.02 1 868 85 85 THR HB H 4.36 0.02 1 869 85 85 THR HG2 H 1.15 0.02 1 870 85 85 THR C C 173.5 0.2 1 871 85 85 THR CA C 62.9 0.2 1 872 85 85 THR CB C 66.6 0.2 1 873 85 85 THR CG2 C 24.4 0.2 1 874 85 85 THR N N 120.3 0.2 1 875 86 86 ASP H H 8.79 0.02 1 876 86 86 ASP HA H 4.22 0.02 1 877 86 86 ASP HB2 H 2.78 0.02 2 878 86 86 ASP HB3 H 2.48 0.02 2 879 86 86 ASP C C 177.1 0.2 1 880 86 86 ASP CA C 54.7 0.2 1 881 86 86 ASP CB C 39.7 0.2 1 882 86 86 ASP N N 119 0.2 1 883 87 87 GLY H H 7.58 0.02 1 884 87 87 GLY HA2 H 4.11 0.02 2 885 87 87 GLY HA3 H 3.5 0.02 2 886 87 87 GLY C C 175 0.2 1 887 87 87 GLY CA C 45.6 0.2 1 888 87 87 GLY N N 103.4 0.2 1 889 88 88 ASN H H 8.02 0.02 1 890 88 88 ASN HA H 4.11 0.02 1 891 88 88 ASN HB2 H 3.02 0.02 2 892 88 88 ASN HB3 H 2.61 0.02 2 893 88 88 ASN C C 174.5 0.2 1 894 88 88 ASN CA C 55.6 0.2 1 895 88 88 ASN CB C 38.2 0.2 1 896 88 88 ASN N N 122.3 0.2 1 897 89 89 VAL H H 7.17 0.02 1 898 89 89 VAL HA H 4.83 0.02 1 899 89 89 VAL HB H 1.68 0.02 1 900 89 89 VAL HG1 H 0.38 0.02 2 901 89 89 VAL HG2 H 0.71 0.02 2 902 89 89 VAL C C 174.7 0.2 1 903 89 89 VAL CA C 59.6 0.2 1 904 89 89 VAL CB C 37 0.2 1 905 89 89 VAL CG1 C 22.1 0.2 2 906 89 89 VAL CG2 C 22.2 0.2 2 907 89 89 VAL N N 115.7 0.2 1 908 90 90 LYS H H 8.54 0.02 1 909 90 90 LYS HA H 5.01 0.02 1 910 90 90 LYS HB2 H 1.37 0.02 2 911 90 90 LYS HB3 H 1.37 0.02 2 912 90 90 LYS HG2 H 1.03 0.02 2 913 90 90 LYS HG3 H 1.03 0.02 2 914 90 90 LYS HD2 H 1.48 0.02 2 915 90 90 LYS HD3 H 1.34 0.02 2 916 90 90 LYS HE2 H 2.69 0.02 2 917 90 90 LYS HE3 H 2.63 0.02 2 918 90 90 LYS C C 174.1 0.2 1 919 90 90 LYS CA C 54.9 0.2 1 920 90 90 LYS CB C 36.3 0.2 1 921 90 90 LYS CG C 25.2 0.2 1 922 90 90 LYS CD C 29.7 0.2 1 923 90 90 LYS N N 123.6 0.2 1 924 91 91 TRP H H 8.34 0.02 1 925 91 91 TRP HA H 5.1 0.02 1 926 91 91 TRP HB2 H 2.1 0.02 2 927 91 91 TRP HB3 H 2.1 0.02 2 928 91 91 TRP HD1 H 6.61 0.02 1 929 91 91 TRP HE1 H 9.9 0.02 1 930 91 91 TRP HZ2 H 7.67 0.02 1 931 91 91 TRP HH2 H 7.07 0.02 1 932 91 91 TRP C C 174.6 0.2 1 933 91 91 TRP CA C 54.9 0.2 1 934 91 91 TRP CB C 30.8 0.2 1 935 91 91 TRP CD1 C 126.6 0.2 1 936 91 91 TRP CZ2 C 114.5 0.2 1 937 91 91 TRP CH2 C 124.5 0.2 1 938 91 91 TRP N N 124.6 0.2 1 939 91 91 TRP NE1 N 127.7 0.2 1 940 92 92 ILE H H 8.43 0.02 1 941 92 92 ILE HA H 4.56 0.02 1 942 92 92 ILE HB H 1.67 0.02 1 943 92 92 ILE HG12 H 1.34 0.02 2 944 92 92 ILE HG13 H 1.34 0.02 2 945 92 92 ILE HG2 H 0.66 0.02 1 946 92 92 ILE HD1 H 0.64 0.02 1 947 92 92 ILE C C 176.3 0.2 1 948 92 92 ILE CA C 60.8 0.2 1 949 92 92 ILE CB C 42.1 0.2 1 950 92 92 ILE CG1 C 27.6 0.2 1 951 92 92 ILE CG2 C 18.4 0.2 1 952 92 92 ILE CD1 C 13.4 0.2 1 953 92 92 ILE N N 118 0.2 1 954 93 93 TYR H H 9.67 0.02 1 955 93 93 TYR HA H 5.85 0.02 1 956 93 93 TYR HB2 H 3.3 0.02 2 957 93 93 TYR HB3 H 2.82 0.02 2 958 93 93 TYR HD1 H 7.13 0.02 3 959 93 93 TYR HD2 H 7.13 0.02 3 960 93 93 TYR HE1 H 6.73 0.02 3 961 93 93 TYR HE2 H 6.73 0.02 3 962 93 93 TYR C C 175.3 0.2 1 963 93 93 TYR CA C 57.1 0.2 1 964 93 93 TYR CB C 40.8 0.2 1 965 93 93 TYR CD1 C 132.2 0.2 3 966 93 93 TYR CD2 C 132.2 0.2 3 967 93 93 TYR CE1 C 118.2 0.2 3 968 93 93 TYR CE2 C 118.2 0.2 3 969 93 93 TYR N N 127.7 0.2 1 970 94 94 SER H H 9.63 0.02 1 971 94 94 SER HA H 5.51 0.02 1 972 94 94 SER HB2 H 3.89 0.02 2 973 94 94 SER HB3 H 3.89 0.02 2 974 94 94 SER C C 172.7 0.2 1 975 94 94 SER CA C 57.3 0.2 1 976 94 94 SER CB C 65.6 0.2 1 977 94 94 SER N N 117.9 0.2 1 978 95 95 MET H H 8.88 0.02 1 979 95 95 MET HA H 5.84 0.02 1 980 95 95 MET HB2 H 1.96 0.02 2 981 95 95 MET HB3 H 1.84 0.02 2 982 95 95 MET HG2 H 1.86 0.02 2 983 95 95 MET HG3 H 1.86 0.02 2 984 95 95 MET HE H 1.76 0.02 1 985 95 95 MET C C 173.8 0.2 1 986 95 95 MET CA C 54.2 0.2 1 987 95 95 MET CB C 37.4 0.2 1 988 95 95 MET CG C 33.3 0.2 1 989 95 95 MET CE C 17.7 0.2 1 990 95 95 MET N N 119.6 0.2 1 991 96 96 GLU H H 8.27 0.02 1 992 96 96 GLU HA H 4.97 0.02 1 993 96 96 GLU HB2 H 2.11 0.02 2 994 96 96 GLU HB3 H 1.87 0.02 2 995 96 96 GLU HG2 H 2.25 0.02 2 996 96 96 GLU HG3 H 2.25 0.02 2 997 96 96 GLU CA C 52.9 0.2 1 998 96 96 GLU CB C 33 0.2 1 999 96 96 GLU CG C 35.6 0.2 1 1000 96 96 GLU N N 119.1 0.2 1 1001 97 97 PRO HA H 4.82 0.02 1 1002 97 97 PRO HB2 H 2.38 0.02 2 1003 97 97 PRO HB3 H 2.07 0.02 2 1004 97 97 PRO HG2 H 2.26 0.02 2 1005 97 97 PRO HG3 H 2.1 0.02 2 1006 97 97 PRO HD2 H 3.89 0.02 2 1007 97 97 PRO HD3 H 3.8 0.02 2 1008 97 97 PRO C C 176.3 0.2 1 1009 97 97 PRO CA C 63.1 0.2 1 1010 97 97 PRO CB C 32.7 0.2 1 1011 97 97 PRO CG C 27.4 0.2 1 1012 97 97 PRO CD C 50.7 0.2 1 1013 98 98 LEU H H 8.17 0.02 1 1014 98 98 LEU HA H 4.53 0.02 1 1015 98 98 LEU HB2 H 1.55 0.02 2 1016 98 98 LEU HB3 H 1.28 0.02 2 1017 98 98 LEU HG H 1.39 0.02 1 1018 98 98 LEU HD1 H 0.82 0.02 2 1019 98 98 LEU HD2 H 0.81 0.02 2 1020 98 98 LEU C C 176.2 0.2 1 1021 98 98 LEU CA C 54.2 0.2 1 1022 98 98 LEU CB C 44.1 0.2 1 1023 98 98 LEU CG C 27.5 0.2 1 1024 98 98 LEU CD1 C 24.1 0.2 2 1025 98 98 LEU CD2 C 24.2 0.2 2 1026 98 98 LEU N N 122.9 0.2 1 1027 99 99 GLU H H 9.09 0.02 1 1028 99 99 GLU HA H 3.86 0.02 1 1029 99 99 GLU HB2 H 2.16 0.02 2 1030 99 99 GLU HB3 H 2.08 0.02 2 1031 99 99 GLU HG2 H 2.32 0.02 2 1032 99 99 GLU HG3 H 2.26 0.02 2 1033 99 99 GLU C C 176.9 0.2 1 1034 99 99 GLU CA C 59.5 0.2 1 1035 99 99 GLU CB C 28 0.2 1 1036 99 99 GLU CG C 36.5 0.2 1 1037 99 99 GLU N N 124.7 0.2 1 1038 100 100 GLU H H 8.25 0.02 1 1039 100 100 GLU HA H 4.43 0.02 1 1040 100 100 GLU HB2 H 2.21 0.02 2 1041 100 100 GLU HB3 H 1.91 0.02 2 1042 100 100 GLU HG2 H 2.26 0.02 2 1043 100 100 GLU HG3 H 2.22 0.02 2 1044 100 100 GLU C C 176.2 0.2 1 1045 100 100 GLU CA C 56.4 0.2 1 1046 100 100 GLU CB C 29.9 0.2 1 1047 100 100 GLU CG C 36.6 0.2 1 1048 100 100 GLU N N 118.2 0.2 1 1049 101 101 GLY H H 7.95 0.02 1 1050 101 101 GLY HA2 H 4.4 0.02 2 1051 101 101 GLY HA3 H 4.2 0.02 2 1052 101 101 GLY C C 174.1 0.2 1 1053 101 101 GLY CA C 45 0.2 1 1054 101 101 GLY N N 110.1 0.2 1 1055 102 102 THR H H 9.38 0.02 1 1056 102 102 THR HA H 4.85 0.02 1 1057 102 102 THR HB H 3.65 0.02 1 1058 102 102 THR HG2 H 1.06 0.02 1 1059 102 102 THR C C 172.7 0.2 1 1060 102 102 THR CA C 63.7 0.2 1 1061 102 102 THR CB C 73.6 0.2 1 1062 102 102 THR CG2 C 22.5 0.2 1 1063 102 102 THR N N 120.2 0.2 1 1064 103 103 VAL H H 9.23 0.02 1 1065 103 103 VAL HA H 4.91 0.02 1 1066 103 103 VAL HB H 2.06 0.02 1 1067 103 103 VAL HG1 H 0.91 0.02 2 1068 103 103 VAL HG2 H 0.94 0.02 2 1069 103 103 VAL C C 175 0.2 1 1070 103 103 VAL CA C 61.3 0.2 1 1071 103 103 VAL CB C 32.7 0.2 1 1072 103 103 VAL CG1 C 20.5 0.2 2 1073 103 103 VAL CG2 C 21.6 0.2 2 1074 103 103 VAL N N 125.6 0.2 1 1075 104 104 LEU H H 9.29 0.02 1 1076 104 104 LEU HA H 5.14 0.02 1 1077 104 104 LEU HB2 H 2.02 0.02 2 1078 104 104 LEU HB3 H 0.98 0.02 2 1079 104 104 LEU HG H 0.61 0.02 1 1080 104 104 LEU HD1 H 1.01 0.02 2 1081 104 104 LEU HD2 H 1.07 0.02 2 1082 104 104 LEU C C 173.8 0.2 1 1083 104 104 LEU CA C 53.3 0.2 1 1084 104 104 LEU CB C 46.1 0.2 1 1085 104 104 LEU CG C 27.4 0.2 1 1086 104 104 LEU CD1 C 23.7 0.2 2 1087 104 104 LEU CD2 C 20.7 0.2 2 1088 104 104 LEU N N 133.9 0.2 1 1089 105 105 THR H H 9.75 0.02 1 1090 105 105 THR HA H 5.21 0.02 1 1091 105 105 THR HB H 3.99 0.02 1 1092 105 105 THR HG2 H 1.07 0.02 1 1093 105 105 THR C C 173.5 0.2 1 1094 105 105 THR CA C 61.5 0.2 1 1095 105 105 THR CB C 71.1 0.2 1 1096 105 105 THR CG2 C 22.5 0.2 1 1097 105 105 THR N N 124.4 0.2 1 1098 106 106 GLU H H 8.94 0.02 1 1099 106 106 GLU HA H 5.36 0.02 1 1100 106 106 GLU HB2 H 2.1 0.02 2 1101 106 106 GLU HB3 H 2.1 0.02 2 1102 106 106 GLU HG2 H 2.09 0.02 2 1103 106 106 GLU HG3 H 2.09 0.02 2 1104 106 106 GLU C C 173.4 0.2 1 1105 106 106 GLU CA C 54.4 0.2 1 1106 106 106 GLU CB C 32 0.2 1 1107 106 106 GLU CG C 34.6 0.2 1 1108 106 106 GLU N N 126.9 0.2 1 1109 107 107 SER H H 9.27 0.02 1 1110 107 107 SER HA H 5.47 0.02 1 1111 107 107 SER HB2 H 3.91 0.02 2 1112 107 107 SER HB3 H 3.76 0.02 2 1113 107 107 SER C C 171.6 0.2 1 1114 107 107 SER CA C 56 0.2 1 1115 107 107 SER CB C 66.7 0.2 1 1116 107 107 SER N N 120.8 0.2 1 1117 108 108 TRP H H 9.06 0.02 1 1118 108 108 TRP HA H 4.68 0.02 1 1119 108 108 TRP HB2 H 2.76 0.02 2 1120 108 108 TRP HB3 H 2.72 0.02 2 1121 108 108 TRP HD1 H 7.66 0.02 1 1122 108 108 TRP HE1 H 9.57 0.02 1 1123 108 108 TRP HZ2 H 6.76 0.02 1 1124 108 108 TRP HH2 H 6.62 0.02 1 1125 108 108 TRP C C 175 0.2 1 1126 108 108 TRP CA C 55.9 0.2 1 1127 108 108 TRP CB C 33.6 0.2 1 1128 108 108 TRP CZ2 C 112.5 0.2 1 1129 108 108 TRP CH2 C 121.9 0.2 1 1130 108 108 TRP N N 124.6 0.2 1 1131 108 108 TRP NE1 N 130.1 0.2 1 1132 109 109 GLU H H 7.73 0.02 1 1133 109 109 GLU HA H 4.5 0.02 1 1134 109 109 GLU HB2 H 1.57 0.02 2 1135 109 109 GLU HB3 H 1.47 0.02 2 1136 109 109 GLU HG2 H 1.91 0.02 2 1137 109 109 GLU HG3 H 1.91 0.02 2 1138 109 109 GLU C C 172.3 0.2 1 1139 109 109 GLU CA C 54.1 0.2 1 1140 109 109 GLU CB C 32.9 0.2 1 1141 109 109 GLU CG C 36.1 0.2 1 1142 109 109 GLU N N 127.2 0.2 1 1143 110 110 PHE H H 8.35 0.02 1 1144 110 110 PHE HA H 4.69 0.02 1 1145 110 110 PHE HB2 H 2.9 0.02 2 1146 110 110 PHE HB3 H 2.9 0.02 2 1147 110 110 PHE HD1 H 7.2 0.02 3 1148 110 110 PHE HD2 H 7.2 0.02 3 1149 110 110 PHE C C 177.1 0.2 1 1150 110 110 PHE CA C 54 0.2 1 1151 110 110 PHE CB C 38.5 0.2 1 1152 110 110 PHE CD1 C 130.0 0.2 3 1153 110 110 PHE CD2 C 130.0 0.2 3 1154 110 110 PHE N N 129.4 0.2 1 1155 111 111 THR H H 7.96 0.02 1 1156 111 111 THR HA H 4.51 0.02 1 1157 111 111 THR HB H 4 0.02 1 1158 111 111 THR HG2 H 1.02 0.02 1 1159 111 111 THR CA C 61.8 0.2 1 1160 111 111 THR CB C 66.1 0.2 1 1161 111 111 THR CG2 C 20.7 0.2 1 1162 111 111 THR N N 117.8 0.2 1 1163 113 113 LYS HA H 3.99 0.02 1 1164 113 113 LYS HB2 H 1.62 0.02 2 1165 113 113 LYS HB3 H 1.62 0.02 2 1166 113 113 LYS C C 179.2 0.2 1 1167 114 114 GLY H H 8.23 0.02 1 1168 114 114 GLY HA2 H 3.84 0.02 2 1169 114 114 GLY HA3 H 3.84 0.02 2 1170 114 114 GLY CA C 47.1 0.2 1 1171 114 114 GLY N N 110.1 0.2 1 1172 115 115 GLN H H 8.33 0.02 1 1173 115 115 GLN HA H 4.01 0.02 1 1174 115 115 GLN HB2 H 2.01 0.02 2 1175 115 115 GLN HB3 H 1.86 0.02 2 1176 115 115 GLN HG2 H 1.71 0.02 2 1177 115 115 GLN HG3 H 1.42 0.02 2 1178 115 115 GLN C C 178 0.2 1 1179 115 115 GLN CA C 59.9 0.2 1 1180 115 115 GLN CB C 29.4 0.2 1 1181 115 115 GLN CG C 35 0.2 1 1182 115 115 GLN N N 121.1 0.2 1 1183 116 116 ARG HA H 4.14 0.02 1 1184 116 116 ARG HB2 H 2.05 0.02 2 1185 116 116 ARG HB3 H 2.05 0.02 2 1186 116 116 ARG C C 177.9 0.2 1 1187 116 116 ARG CA C 59.5 0.2 1 1188 116 116 ARG CB C 30 0.2 1 1189 117 117 PHE H H 8.39 0.02 1 1190 117 117 PHE HA H 4.47 0.02 1 1191 117 117 PHE HB2 H 3.66 0.02 2 1192 117 117 PHE HB3 H 3.38 0.02 2 1193 117 117 PHE HD1 H 7.3 0.02 3 1194 117 117 PHE HD2 H 7.3 0.02 3 1195 117 117 PHE C C 178.1 0.2 1 1196 117 117 PHE CA C 61.2 0.2 1 1197 117 117 PHE CB C 39 0.2 1 1198 117 117 PHE CD1 C 132.4 0.2 3 1199 117 117 PHE CD2 C 132.4 0.2 3 1200 117 117 PHE N N 120.8 0.2 1 1201 118 118 PHE H H 8.56 0.02 1 1202 118 118 PHE HA H 4.23 0.02 1 1203 118 118 PHE HB2 H 3.60 0.02 2 1204 118 118 PHE HB3 H 2.96 0.02 2 1205 118 118 PHE HD1 H 7.67 0.02 3 1206 118 118 PHE HD2 H 7.67 0.02 3 1207 118 118 PHE C C 178.5 0.2 1 1208 118 118 PHE CA C 62.3 0.2 1 1209 118 118 PHE CB C 39.2 0.2 1 1210 118 118 PHE CD1 C 131.4 0.2 3 1211 118 118 PHE CD2 C 131.4 0.2 3 1212 118 118 PHE N N 119.6 0.2 1 1213 119 119 HIS H H 8.65 0.02 1 1214 119 119 HIS HA H 4.62 0.02 1 1215 119 119 HIS HB2 H 3.37 0.02 2 1216 119 119 HIS HB3 H 3.37 0.02 2 1217 119 119 HIS C C 178.5 0.2 1 1218 119 119 HIS CA C 59.9 0.2 1 1219 119 119 HIS CB C 29.7 0.2 1 1220 119 119 HIS N N 120.9 0.2 1 1221 120 120 ASP H H 8.53 0.02 1 1222 120 120 ASP HA H 4.33 0.02 1 1223 120 120 ASP HB2 H 2.76 0.02 2 1224 120 120 ASP HB3 H 2.59 0.02 2 1225 120 120 ASP C C 177.5 0.2 1 1226 120 120 ASP CA C 57.2 0.2 1 1227 120 120 ASP CB C 40.5 0.2 1 1228 120 120 ASP N N 120.4 0.2 1 1229 121 121 LYS H H 7.91 0.02 1 1230 121 121 LYS HA H 3.81 0.02 1 1231 121 121 LYS HB2 H 0.99 0.02 2 1232 121 121 LYS HB3 H 0.81 0.02 2 1233 121 121 LYS HG2 H 0.52 0.02 2 1234 121 121 LYS HG3 H 0.02 0.02 2 1235 121 121 LYS HD2 H 1.08 0.02 2 1236 121 121 LYS HD3 H 0.89 0.02 2 1237 121 121 LYS HE2 H 2.52 0.02 2 1238 121 121 LYS HE3 H 2.52 0.02 2 1239 121 121 LYS C C 178.2 0.2 1 1240 121 121 LYS CA C 58.1 0.2 1 1241 121 121 LYS CB C 33.2 0.2 1 1242 121 121 LYS CG C 24.1 0.2 1 1243 121 121 LYS CD C 28.9 0.2 1 1244 121 121 LYS CE C 42 0.2 1 1245 121 121 LYS N N 118.1 0.2 1 1246 122 122 PHE H H 8.47 0.02 1 1247 122 122 PHE HA H 4.68 0.02 1 1248 122 122 PHE HB2 H 2.99 0.02 2 1249 122 122 PHE HB3 H 2.6 0.02 2 1250 122 122 PHE HD1 H 7.16 0.02 3 1251 122 122 PHE HD2 H 7.16 0.02 3 1252 122 122 PHE C C 177.6 0.2 1 1253 122 122 PHE CA C 58.1 0.2 1 1254 122 122 PHE CB C 40 0.2 1 1255 122 122 PHE N N 112.8 0.2 1 1256 123 123 GLY H H 8.03 0.02 1 1257 123 123 GLY HA2 H 4 0.02 2 1258 123 123 GLY HA3 H 3.82 0.02 2 1259 123 123 GLY CA C 47.3 0.2 1 1260 123 123 GLY N N 112.2 0.2 1 1261 124 124 ASP H H 8.45 0.02 1 1262 124 124 ASP HA H 4.58 0.02 1 1263 124 124 ASP HB2 H 2.84 0.02 2 1264 124 124 ASP HB3 H 2.84 0.02 2 1265 124 124 ASP C C 177.7 0.2 1 1266 124 124 ASP CA C 56.8 0.2 1 1267 124 124 ASP CB C 40.1 0.2 1 1268 125 125 LYS H H 7.9 0.02 1 1269 125 125 LYS HA H 4.67 0.02 1 1270 125 125 LYS HB2 H 2.26 0.02 2 1271 125 125 LYS HB3 H 1.93 0.02 2 1272 125 125 LYS HG2 H 1.65 0.02 2 1273 125 125 LYS HG3 H 1.58 0.02 2 1274 125 125 LYS HD2 H 1.73 0.02 2 1275 125 125 LYS HD3 H 1.73 0.02 2 1276 125 125 LYS HE2 H 3.05 0.02 2 1277 125 125 LYS HE3 H 3.05 0.02 2 1278 125 125 LYS C C 177.1 0.2 1 1279 125 125 LYS CA C 56 0.2 1 1280 125 125 LYS CB C 32.3 0.2 1 1281 125 125 LYS CG C 25.2 0.2 1 1282 125 125 LYS CD C 28.7 0.2 1 1283 125 125 LYS CE C 42.4 0.2 1 1284 125 125 LYS N N 118.4 0.2 1 1285 126 126 SER H H 8.44 0.02 1 1286 126 126 SER HA H 3.83 0.02 1 1287 126 126 SER HB2 H 3.76 0.02 2 1288 126 126 SER HB3 H 3.76 0.02 2 1289 126 126 SER C C 175.7 0.2 1 1290 126 126 SER CA C 62.7 0.2 1 1291 126 126 SER CB C 63 0.2 1 1292 126 126 SER N N 116.6 0.2 1 1293 127 127 ILE H H 7.73 0.02 1 1294 127 127 ILE HA H 3.81 0.02 1 1295 127 127 ILE HB H 2.05 0.02 1 1296 127 127 ILE HG12 H 1.67 0.02 2 1297 127 127 ILE HG13 H 1.38 0.02 2 1298 127 127 ILE HG2 H 0.98 0.02 1 1299 127 127 ILE HD1 H 0.95 0.02 1 1300 127 127 ILE C C 178.5 0.2 1 1301 127 127 ILE CA C 65 0.2 1 1302 127 127 ILE CB C 36.8 0.2 1 1303 127 127 ILE CG1 C 28.9 0.2 1 1304 127 127 ILE CG2 C 17.3 0.2 1 1305 127 127 ILE CD1 C 12.2 0.2 1 1306 127 127 ILE N N 122.3 0.2 1 1307 128 128 GLU H H 8.03 0.02 1 1308 128 128 GLU HA H 4.1 0.02 1 1309 128 128 GLU HB2 H 2.13 0.02 2 1310 128 128 GLU HB3 H 2.06 0.02 2 1311 128 128 GLU HG2 H 2.26 0.02 2 1312 128 128 GLU HG3 H 2.26 0.02 2 1313 128 128 GLU C C 179.4 0.2 1 1314 128 128 GLU CA C 59.3 0.2 1 1315 128 128 GLU CB C 29.7 0.2 1 1316 128 128 GLU CG C 36.7 0.2 1 1317 128 128 GLU N N 120.5 0.2 1 1318 129 129 GLU H H 7.79 0.02 1 1319 129 129 GLU HA H 3.91 0.02 1 1320 129 129 GLU HB2 H 1.76 0.02 2 1321 129 129 GLU HB3 H 1.6 0.02 2 1322 129 129 GLU HG2 H 2.04 0.02 2 1323 129 129 GLU HG3 H 1.81 0.02 2 1324 129 129 GLU C C 179.9 0.2 1 1325 129 129 GLU CA C 59 0.2 1 1326 129 129 GLU CB C 29.2 0.2 1 1327 129 129 GLU CG C 34.1 0.2 1 1328 129 129 GLU N N 118.8 0.2 1 1329 130 130 ILE H H 8.9 0.02 1 1330 130 130 ILE HA H 3.48 0.02 1 1331 130 130 ILE HB H 1.92 0.02 1 1332 130 130 ILE HG12 H 1.74 0.02 2 1333 130 130 ILE HG13 H 1.74 0.02 2 1334 130 130 ILE HG2 H 0.69 0.02 1 1335 130 130 ILE HD1 H 0.79 0.02 1 1336 130 130 ILE C C 177.6 0.2 1 1337 130 130 ILE CA C 66.4 0.2 1 1338 130 130 ILE CB C 38.3 0.2 1 1339 130 130 ILE CG1 C 28.8 0.2 1 1340 130 130 ILE CG2 C 16.8 0.2 1 1341 130 130 ILE CD1 C 14.2 0.2 1 1342 130 130 ILE N N 122.7 0.2 1 1343 131 131 GLU H H 8.08 0.02 1 1344 131 131 GLU HA H 4.39 0.02 1 1345 131 131 GLU HB2 H 2.12 0.02 2 1346 131 131 GLU HB3 H 2.01 0.02 2 1347 131 131 GLU HG2 H 2.39 0.02 2 1348 131 131 GLU HG3 H 2.28 0.02 2 1349 131 131 GLU C C 178.8 0.2 1 1350 131 131 GLU CA C 58.6 0.2 1 1351 131 131 GLU CB C 28.9 0.2 1 1352 131 131 GLU CG C 34.9 0.2 1 1353 131 131 GLU N N 120.1 0.2 1 1354 132 132 LYS H H 7.98 0.02 1 1355 132 132 LYS HA H 3.96 0.02 1 1356 132 132 LYS HB2 H 1.93 0.02 2 1357 132 132 LYS HB3 H 1.86 0.02 2 1358 132 132 LYS HG2 H 1.65 0.02 2 1359 132 132 LYS HG3 H 1.42 0.02 2 1360 132 132 LYS HD2 H 1.61 0.02 2 1361 132 132 LYS HD3 H 1.61 0.02 2 1362 132 132 LYS HE2 H 2.85 0.02 2 1363 132 132 LYS HE3 H 2.79 0.02 2 1364 132 132 LYS C C 180.4 0.2 1 1365 132 132 LYS CA C 60.3 0.2 1 1366 132 132 LYS CB C 32.7 0.2 1 1367 132 132 LYS CG C 25.7 0.2 1 1368 132 132 LYS CD C 29.8 0.2 1 1369 132 132 LYS CE C 42 0.2 1 1370 132 132 LYS N N 118.3 0.2 1 1371 133 133 ARG H H 7.58 0.02 1 1372 133 133 ARG HA H 4.06 0.02 1 1373 133 133 ARG HB2 H 2.11 0.02 2 1374 133 133 ARG HB3 H 2.06 0.02 2 1375 133 133 ARG HG2 H 1.99 0.02 2 1376 133 133 ARG HG3 H 1.76 0.02 2 1377 133 133 ARG HD2 H 3.14 0.02 2 1378 133 133 ARG HD3 H 3.14 0.02 2 1379 133 133 ARG C C 178.6 0.2 1 1380 133 133 ARG CA C 58 0.2 1 1381 133 133 ARG CB C 29.4 0.2 1 1382 133 133 ARG CG C 27 0.2 1 1383 133 133 ARG CD C 42.7 0.2 1 1384 133 133 ARG N N 118.4 0.2 1 1385 134 134 ARG H H 8.42 0.02 1 1386 134 134 ARG HA H 3.61 0.02 1 1387 134 134 ARG HB2 H 2.17 0.02 2 1388 134 134 ARG HB3 H 1.74 0.02 2 1389 134 134 ARG HG2 H 1.67 0.02 2 1390 134 134 ARG HG3 H 3.16 0.02 2 1391 134 134 ARG HD2 H 3.16 0.02 2 1392 134 134 ARG C C 177.6 0.2 1 1393 134 134 ARG CA C 59.4 0.2 1 1394 134 134 ARG CB C 31 0.2 1 1395 134 134 ARG CG C 27 0.2 1 1396 134 134 ARG N N 122.5 0.2 1 1397 135 135 LEU H H 8.58 0.02 1 1398 135 135 LEU HA H 3.81 0.02 1 1399 135 135 LEU HB2 H 1.68 0.02 2 1400 135 135 LEU HB3 H 1.48 0.02 2 1401 135 135 LEU HG H 1.67 0.02 1 1402 135 135 LEU HD1 H 0.84 0.02 2 1403 135 135 LEU HD2 H 0.79 0.02 2 1404 135 135 LEU C C 179.7 0.2 1 1405 135 135 LEU CA C 57.7 0.2 1 1406 135 135 LEU CB C 41.4 0.2 1 1407 135 135 LEU CG C 27 0.2 1 1408 135 135 LEU CD1 C 24.7 0.2 2 1409 135 135 LEU CD2 C 23.3 0.2 2 1410 135 135 LEU N N 118.2 0.2 1 1411 136 136 ALA H H 7.59 0.02 1 1412 136 136 ALA HA H 4.03 0.02 1 1413 136 136 ALA HB H 1.44 0.02 1 1414 136 136 ALA C C 180.5 0.2 1 1415 136 136 ALA CA C 54.7 0.2 1 1416 136 136 ALA CB C 18.1 0.2 1 1417 136 136 ALA N N 120.4 0.2 1 1418 137 137 ALA H H 7.35 0.02 1 1419 137 137 ALA HA H 3.9 0.02 1 1420 137 137 ALA HB H -0.05 0.02 1 1421 137 137 ALA C C 178.7 0.2 1 1422 137 137 ALA CA C 55.3 0.2 1 1423 137 137 ALA CB C 15.8 0.2 1 1424 137 137 ALA N N 123.2 0.2 1 1425 138 138 ILE H H 7.64 0.02 1 1426 138 138 ILE HA H 2.83 0.02 1 1427 138 138 ILE HB H 1.24 0.02 1 1428 138 138 ILE HG12 H 1.05 0.02 2 1429 138 138 ILE HG13 H 0.36 0.02 2 1430 138 138 ILE HG2 H 0.35 0.02 1 1431 138 138 ILE HD1 H 0.56 0.02 1 1432 138 138 ILE C C 177.8 0.2 1 1433 138 138 ILE CA C 64.2 0.2 1 1434 138 138 ILE CB C 37.4 0.2 1 1435 138 138 ILE CG1 C 27.7 0.2 1 1436 138 138 ILE CG2 C 16.9 0.2 1 1437 138 138 ILE CD1 C 14.2 0.2 1 1438 138 138 ILE N N 115.4 0.2 1 1439 139 139 THR H H 7.54 0.02 1 1440 139 139 THR HA H 4.15 0.02 1 1441 139 139 THR HB H 4.1 0.02 1 1442 139 139 THR HG2 H 1.22 0.02 1 1443 139 139 THR C C 177.3 0.2 1 1444 139 139 THR CA C 64 0.2 1 1445 139 139 THR CB C 69.6 0.2 1 1446 139 139 THR CG2 C 21.8 0.2 1 1447 139 139 THR N N 109.5 0.2 1 1448 140 140 GLY H H 7.95 0.02 1 1449 140 140 GLY HA2 H 4.15 0.02 2 1450 140 140 GLY HA3 H 4.05 0.02 2 1451 140 140 GLY C C 176.7 0.2 1 1452 140 140 GLY CA C 46.8 0.2 1 1453 140 140 GLY N N 110.8 0.2 1 1454 141 141 ILE H H 8.42 0.02 1 1455 141 141 ILE HA H 4.16 0.02 1 1456 141 141 ILE HB H 2.22 0.02 1 1457 141 141 ILE HG12 H 1.82 0.02 2 1458 141 141 ILE HG13 H 1.7 0.02 2 1459 141 141 ILE HG2 H 1.13 0.02 1 1460 141 141 ILE HD1 H 1.07 0.02 1 1461 141 141 ILE CA C 68.3 0.2 1 1462 141 141 ILE CB C 36.3 0.2 1 1463 141 141 ILE CG1 C 27.6 0.2 1 1464 141 141 ILE CG2 C 17.6 0.2 1 1465 141 141 ILE CD1 C 14.9 0.2 1 1466 141 141 ILE N N 122.7 0.2 1 1467 142 142 PRO HA H 4.35 0.02 1 1468 142 142 PRO HB2 H 2.58 0.02 2 1469 142 142 PRO HB3 H 1.97 0.02 2 1470 142 142 PRO HG2 H 2.37 0.02 2 1471 142 142 PRO HG3 H 2.37 0.02 2 1472 142 142 PRO HD2 H 3.74 0.02 2 1473 142 142 PRO HD3 H 3.74 0.02 2 1474 142 142 PRO C C 179.3 0.2 1 1475 142 142 PRO CA C 66.7 0.2 1 1476 142 142 PRO CB C 31.2 0.2 1 1477 142 142 PRO CG C 28.6 0.2 1 1478 142 142 PRO CD C 50.4 0.2 1 1479 143 143 GLU H H 6.68 0.02 1 1480 143 143 GLU HA H 4.17 0.02 1 1481 143 143 GLU HB2 H 2.31 0.02 2 1482 143 143 GLU HB3 H 2.22 0.02 2 1483 143 143 GLU HG2 H 2.59 0.02 2 1484 143 143 GLU HG3 H 2.35 0.02 2 1485 143 143 GLU C C 179.6 0.2 1 1486 143 143 GLU CA C 59.3 0.2 1 1487 143 143 GLU CB C 30 0.2 1 1488 143 143 GLU CG C 36.3 0.2 1 1489 143 143 GLU N N 113.9 0.2 1 1490 144 144 THR H H 8.69 0.02 1 1491 144 144 THR HA H 4.29 0.02 1 1492 144 144 THR HB H 4.81 0.02 1 1493 144 144 THR HG2 H 1.49 0.02 1 1494 144 144 THR C C 175.8 0.2 1 1495 144 144 THR CA C 67 0.2 1 1496 144 144 THR CB C 69.5 0.2 1 1497 144 144 THR CG2 C 23.4 0.2 1 1498 144 144 THR N N 119.9 0.2 1 1499 145 145 LEU H H 8.43 0.02 1 1500 145 145 LEU HA H 3.91 0.02 1 1501 145 145 LEU HB2 H 1.95 0.02 2 1502 145 145 LEU HB3 H 1.3 0.02 2 1503 145 145 LEU HG H 0.77 0.02 1 1504 145 145 LEU HD1 H 0.9 0.02 2 1505 145 145 LEU HD2 H 0.88 0.02 2 1506 145 145 LEU C C 178.7 0.2 1 1507 145 145 LEU CA C 58.6 0.2 1 1508 145 145 LEU CB C 40.5 0.2 1 1509 145 145 LEU CG C 26.4 0.2 1 1510 145 145 LEU CD2 C 22.3 0.2 2 1511 145 145 LEU N N 120.3 0.2 1 1512 146 146 VAL H H 7.67 0.02 1 1513 146 146 VAL HA H 3.68 0.02 1 1514 146 146 VAL HB H 2.12 0.02 1 1515 146 146 VAL HG1 H 0.95 0.02 2 1516 146 146 VAL HG2 H 1.14 0.02 2 1517 146 146 VAL C C 177.7 0.2 1 1518 146 146 VAL CA C 66.1 0.2 1 1519 146 146 VAL CB C 32 0.2 1 1520 146 146 VAL CG1 C 19 0.2 2 1521 146 146 VAL CG2 C 23.5 0.2 2 1522 146 146 VAL N N 117.6 0.2 1 1523 147 147 ALA H H 7.82 0.02 1 1524 147 147 ALA HA H 4.23 0.02 1 1525 147 147 ALA HB H 1.86 0.02 1 1526 147 147 ALA C C 180.4 0.2 1 1527 147 147 ALA CA C 55.6 0.2 1 1528 147 147 ALA CB C 18.8 0.2 1 1529 147 147 ALA N N 123.6 0.2 1 1530 148 148 ILE H H 8.35 0.02 1 1531 148 148 ILE HA H 3.31 0.02 1 1532 148 148 ILE HB H 1.57 0.02 1 1533 148 148 ILE HG12 H 1.4 0.02 2 1534 148 148 ILE HG13 H -0.23 0.02 2 1535 148 148 ILE HG2 H 0.35 0.02 1 1536 148 148 ILE HD1 H -0.17 0.02 1 1537 148 148 ILE C C 177.1 0.2 1 1538 148 148 ILE CA C 66.3 0.2 1 1539 148 148 ILE CB C 38.2 0.2 1 1540 148 148 ILE CG1 C 30 0.2 1 1541 148 148 ILE CG2 C 16.7 0.2 1 1542 148 148 ILE CD1 C 13.6 0.2 1 1543 148 148 ILE N N 119.6 0.2 1 1544 149 149 GLN H H 8.23 0.02 1 1545 149 149 GLN HA H 3.67 0.02 1 1546 149 149 GLN HB2 H 2.63 0.02 2 1547 149 149 GLN HB3 H 1.86 0.02 2 1548 149 149 GLN HG2 H 2.34 0.02 2 1549 149 149 GLN HG3 H 2.04 0.02 2 1550 149 149 GLN HE21 H 7.76 0.02 2 1551 149 149 GLN HE22 H 6.77 0.02 2 1552 149 149 GLN C C 178 0.2 1 1553 149 149 GLN CA C 60.1 0.2 1 1554 149 149 GLN CB C 29.6 0.2 1 1555 149 149 GLN CG C 34 0.2 1 1556 149 149 GLN N N 119.2 0.2 1 1557 149 149 GLN NE2 N 113.3 0.2 1 1558 150 150 ARG H H 8.32 0.02 1 1559 150 150 ARG HA H 4.05 0.02 1 1560 150 150 ARG HB2 H 2.01 0.02 2 1561 150 150 ARG HB3 H 2.01 0.02 2 1562 150 150 ARG HG2 H 1.82 0.02 2 1563 150 150 ARG HG3 H 1.69 0.02 2 1564 150 150 ARG HD2 H 3.26 0.02 2 1565 150 150 ARG HD3 H 3.26 0.02 2 1566 150 150 ARG C C 179 0.2 1 1567 150 150 ARG CA C 59.3 0.2 1 1568 150 150 ARG CB C 30 0.2 1 1569 150 150 ARG CG C 27.4 0.2 1 1570 150 150 ARG CD C 43.3 0.2 1 1571 150 150 ARG N N 120.5 0.2 1 1572 151 151 ILE H H 7.94 0.02 1 1573 151 151 ILE HA H 3.65 0.02 1 1574 151 151 ILE HB H 1.85 0.02 1 1575 151 151 ILE HG12 H 1.18 0.02 2 1576 151 151 ILE HG13 H 1.18 0.02 2 1577 151 151 ILE HG2 H 0.89 0.02 1 1578 151 151 ILE HD1 H 0.69 0.02 1 1579 151 151 ILE C C 178.5 0.2 1 1580 151 151 ILE CA C 65.3 0.2 1 1581 151 151 ILE CB C 39 0.2 1 1582 151 151 ILE CG1 C 29.4 0.2 1 1583 151 151 ILE CG2 C 17.6 0.2 1 1584 151 151 ILE CD1 C 15.2 0.2 1 1585 151 151 ILE N N 119.1 0.2 1 1586 152 152 LEU H H 7.61 0.02 1 1587 152 152 LEU HA H 4.08 0.02 1 1588 152 152 LEU HB2 H 1.7 0.02 2 1589 152 152 LEU HB3 H 1.13 0.02 2 1590 152 152 LEU HG H 1.63 0.02 1 1591 152 152 LEU HD1 H 0.76 0.02 2 1592 152 152 LEU HD2 H 0.76 0.02 2 1593 152 152 LEU C C 178.7 0.2 1 1594 152 152 LEU CA C 57 0.2 1 1595 152 152 LEU CB C 42.9 0.2 1 1596 152 152 LEU CG C 27.3 0.2 1 1597 152 152 LEU CD1 C 23.5 0.2 2 1598 152 152 LEU CD2 C 23.5 0.2 2 1599 152 152 LEU N N 117.1 0.2 1 1600 153 153 GLU H H 8.32 0.02 1 1601 153 153 GLU HA H 4.17 0.02 1 1602 153 153 GLU HB2 H 2.14 0.02 2 1603 153 153 GLU HB3 H 2.08 0.02 2 1604 153 153 GLU HG2 H 2.7 0.02 2 1605 153 153 GLU HG3 H 2.07 0.02 2 1606 153 153 GLU C C 178.3 0.2 1 1607 153 153 GLU CA C 58.7 0.2 1 1608 153 153 GLU CB C 29.3 0.2 1 1609 153 153 GLU CG C 38 0.2 1 1610 153 153 GLU N N 117.8 0.2 1 1611 154 154 VAL H H 7.9 0.02 1 1612 154 154 VAL HA H 4 0.02 1 1613 154 154 VAL HB H 2.24 0.02 1 1614 154 154 VAL HG1 H 0.97 0.02 2 1615 154 154 VAL HG2 H 1.06 0.02 2 1616 154 154 VAL C C 177.5 0.2 1 1617 154 154 VAL CA C 64.7 0.2 1 1618 154 154 VAL CB C 32.2 0.2 1 1619 154 154 VAL CG1 C 21.3 0.2 2 1620 154 154 VAL CG2 C 22.1 0.2 2 1621 154 154 VAL N N 119.5 0.2 1 1622 155 155 GLU H H 8.12 0.02 1 1623 155 155 GLU HA H 4.18 0.02 1 1624 155 155 GLU HB2 H 2.07 0.02 2 1625 155 155 GLU HB3 H 2.07 0.02 2 1626 155 155 GLU HG2 H 2.45 0.02 2 1627 155 155 GLU HG3 H 2.45 0.02 2 1628 155 155 GLU C C 177.6 0.2 1 1629 155 155 GLU CA C 58 0.2 1 1630 155 155 GLU CB C 29.7 0.2 1 1631 155 155 GLU CG C 36.6 0.2 1 1632 155 155 GLU N N 121.3 0.2 1 1633 156 156 LEU H H 7.9 0.02 1 1634 156 156 LEU HA H 4.23 0.02 1 1635 156 156 LEU HB2 H 1.72 0.02 2 1636 156 156 LEU HB3 H 1.59 0.02 2 1637 156 156 LEU HG H 1.71 0.02 1 1638 156 156 LEU HD1 H 0.98 0.02 2 1639 156 156 LEU HD2 H 0.92 0.02 2 1640 156 156 LEU C C 178 0.2 1 1641 156 156 LEU CA C 56.2 0.2 1 1642 156 156 LEU CB C 42.3 0.2 1 1643 156 156 LEU CG C 27.3 0.2 1 1644 156 156 LEU CD1 C 25.3 0.2 1 1645 156 156 LEU CD2 C 23.8 0.2 2 1646 156 156 LEU N N 120.8 0.2 1 1647 157 157 GLU H H 8.06 0.02 1 1648 157 157 GLU HA H 4.13 0.02 1 1649 157 157 GLU HB2 H 1.99 0.02 2 1650 157 157 GLU HB3 H 1.99 0.02 2 1651 157 157 GLU HG2 H 2.25 0.02 2 1652 157 157 GLU HG3 H 2.14 0.02 2 1653 157 157 GLU C C 177 0.2 1 1654 157 157 GLU CA C 57.4 0.2 1 1655 157 157 GLU CB C 29.8 0.2 1 1656 157 157 GLU CG C 35.8 0.2 1 1657 157 157 GLU N N 119.7 0.2 1 1658 158 158 HIS H H 8.19 0.02 1 1659 158 158 HIS HA H 4.63 0.02 1 1660 158 158 HIS HB2 H 3.13 0.02 2 1661 158 158 HIS HB3 H 3.13 0.02 2 1662 158 158 HIS C C 173.9 0.2 1 1663 158 158 HIS CA C 56 0.2 1 1664 158 158 HIS CB C 30 0.2 1 1665 158 158 HIS N N 117.7 0.2 1 1666 159 159 HIS H H 8.14 0.02 1 1667 159 159 HIS HA H 4.44 0.02 1 1668 159 159 HIS CA C 57.3 0.2 1 1669 159 159 HIS CB C 28.8 0.2 1 1670 159 159 HIS N N 125.2 0.2 1 stop_ save_