data_16881 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of of Streptomyces coelicolor polyketide cyclase SCO5315: Northeast Structural Genomics Consortium target RR365 ; _BMRB_accession_number 16881 _BMRB_flat_file_name bmr16881.str _Entry_type original _Submission_date 2010-04-19 _Accession_date 2010-04-19 _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 Cort John R. . 2 Ramelot Theresa A. . 3 Ding Keyang . . 4 Wang Huang . . 5 Jiang Mei . . 6 Maglaqui Melissa . . 7 Xiao Rong . . 8 Nair Rajesh . . 9 Baran Michael C. . 10 Everett John K. . 11 Swapna G.V.T. . . 12 Acton Thomas B. . 13 Rost Burkhard . . 14 Montelione Gaetano T. . 15 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" 820 "13C chemical shifts" 654 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-02 original author . stop_ _Original_release_date 2012-08-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of Streptomyces coelicolor polyketide cyclase SCO5315' _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 Cort John R. . 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 'polyketide cyclase SCO5315' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SCO5315 $SCO5315 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_SCO5315 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'polyketide cyclase SCO5315' _Molecular_mass 19262 _Mol_thiol_state 'not present' loop_ _Biological_function 'polyketide aromatase/cyclase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MAGHTDNEITIAAPMELVWT MTNDIEKWPGLFSEYASVEV LGRDDDKVTFRLTMHPDADG KVWSWVSERVADPVTRTVRA QRVETGPFQYMNIVWEYAET AEGTVMRWTQDFAMKPDAPV DDAWMTDNINRNSRTQMALI RDRIEQAAGERRTASVLADL EHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 HIS 5 THR 6 ASP 7 ASN 8 GLU 9 ILE 10 THR 11 ILE 12 ALA 13 ALA 14 PRO 15 MET 16 GLU 17 LEU 18 VAL 19 TRP 20 THR 21 MET 22 THR 23 ASN 24 ASP 25 ILE 26 GLU 27 LYS 28 TRP 29 PRO 30 GLY 31 LEU 32 PHE 33 SER 34 GLU 35 TYR 36 ALA 37 SER 38 VAL 39 GLU 40 VAL 41 LEU 42 GLY 43 ARG 44 ASP 45 ASP 46 ASP 47 LYS 48 VAL 49 THR 50 PHE 51 ARG 52 LEU 53 THR 54 MET 55 HIS 56 PRO 57 ASP 58 ALA 59 ASP 60 GLY 61 LYS 62 VAL 63 TRP 64 SER 65 TRP 66 VAL 67 SER 68 GLU 69 ARG 70 VAL 71 ALA 72 ASP 73 PRO 74 VAL 75 THR 76 ARG 77 THR 78 VAL 79 ARG 80 ALA 81 GLN 82 ARG 83 VAL 84 GLU 85 THR 86 GLY 87 PRO 88 PHE 89 GLN 90 TYR 91 MET 92 ASN 93 ILE 94 VAL 95 TRP 96 GLU 97 TYR 98 ALA 99 GLU 100 THR 101 ALA 102 GLU 103 GLY 104 THR 105 VAL 106 MET 107 ARG 108 TRP 109 THR 110 GLN 111 ASP 112 PHE 113 ALA 114 MET 115 LYS 116 PRO 117 ASP 118 ALA 119 PRO 120 VAL 121 ASP 122 ASP 123 ALA 124 TRP 125 MET 126 THR 127 ASP 128 ASN 129 ILE 130 ASN 131 ARG 132 ASN 133 SER 134 ARG 135 THR 136 GLN 137 MET 138 ALA 139 LEU 140 ILE 141 ARG 142 ASP 143 ARG 144 ILE 145 GLU 146 GLN 147 ALA 148 ALA 149 GLY 150 GLU 151 ARG 152 ARG 153 THR 154 ALA 155 SER 156 VAL 157 LEU 158 ALA 159 ASP 160 LEU 161 GLU 162 HIS 163 HIS 164 HIS 165 HIS 166 HIS 167 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2KF2 "Solution Nmr Structure Of Of Streptomyces Coelicolor Polyketide Cyclase Sco5315. Northeast Structural Genomics Consortium Targe" 100.00 167 100.00 100.00 1.68e-118 PDB 3TL1 "Crystal Structure Of The Streptomyces Coelicolor Whie Orfvi Polyketide AromataseCYCLASE" 95.21 159 99.37 99.37 2.16e-110 PDB 3TVR "Crystal Structure Of Streptomyces Coelicolor Polyketide AromataseCYCLASE WHIE-Orfvi" 95.21 173 99.37 99.37 6.41e-110 EMBL CAA39411 "putative polyketide cyclase [Streptomyces coelicolor]" 95.21 159 99.37 99.37 2.16e-110 EMBL CAB45609 "polyketide cyclase [Streptomyces coelicolor A3(2)]" 95.21 159 99.37 99.37 2.16e-110 GB AIJ13352 "Putative polyketide cyclase [Streptomyces lividans TK24]" 95.21 159 99.37 99.37 2.16e-110 GB EFD66728 "polyketide cyclase [Streptomyces lividans TK24]" 95.21 159 99.37 99.37 2.16e-110 GB EHN75821 "polyketide cyclase [Streptomyces coelicoflavus ZG0656]" 95.21 159 99.37 99.37 2.16e-110 GB EOY50317 "Aromatase WhiE VI [Streptomyces lividans 1326]" 95.21 159 99.37 99.37 2.16e-110 GB KKD16437 "polyketide cyclase [Streptomyces sp. WM6391]" 95.21 159 99.37 99.37 2.16e-110 REF NP_629457 "polyketide cyclase [Streptomyces coelicolor A3(2)]" 95.21 159 99.37 99.37 2.16e-110 REF WP_003973657 "MULTISPECIES: polyketide cyclase [Streptomyces]" 95.21 159 99.37 99.37 2.16e-110 REF WP_030402767 "MULTISPECIES: polyketide cyclase [Streptomyces]" 95.21 159 97.48 97.48 4.24e-107 REF WP_031043275 "polyketide cyclase [Streptomyces sp. NRRL F-5650]" 95.21 159 98.11 98.74 9.46e-109 REF WP_054099034 "polyketide cyclase [Streptomyces sp. NRRL WC-3753]" 95.21 159 98.74 98.74 3.46e-109 SP P23154 "RecName: Full=Putative polyketide cyclase; AltName: Full=WhiE ORF VI" 95.21 159 99.37 99.37 2.16e-110 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $SCO5315 'Streptomyces coelicolor' 1902 Bacteria . Streptomyces coelicolor A3(2) SCO5315 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 $SCO5315 'recombinant technology' . Escherichia coli BL21(DE3)+Magic pET21-23C stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SCO5315 1 mM '[U-99% 13C; U-99% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SCO5315 1 mM '[U-99% 13C; U-99% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Felix NMR Inc.' . . stop_ loop_ _Task 'data analysis' processing 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_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varianr _Model INOVA _Field_strength 600 _Details 'Instrument at Miami University, Ohio' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 850 _Details 'Instrument at Miami University, Ohio' 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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_4D-1H-13C-13C-1H_HMQC-NOESY-HMQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '4D-1H-13C-13C-1H HMQC-NOESY-HMQC' _Sample_label $sample_2 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' 112 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . 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_ _Software_label $Felix $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HNCA' '3D H(CCO)NH' '3D C(CO)NH' '3D HNHA' '3D HCCH-TOCSY' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '4D-1H-13C-13C-1H HMQC-NOESY-HMQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SCO5315 _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 ALA HA H 4.09 0.02 1 2 2 2 ALA HB H 1.53 0.02 1 3 2 2 ALA C C 173.2 0.2 1 4 2 2 ALA CA C 51.9 0.2 1 5 2 2 ALA CB C 19.7 0.2 1 6 3 3 GLY H H 8.50 0.02 1 7 3 3 GLY HA2 H 4.24 0.02 2 8 3 3 GLY HA3 H 4.27 0.02 2 9 3 3 GLY C C 172.2 0.2 1 10 3 3 GLY CA C 44.0 0.2 1 11 3 3 GLY N N 106.8 0.2 1 12 4 4 HIS H H 8.16 0.02 1 13 4 4 HIS HA H 5.73 0.02 1 14 4 4 HIS HB2 H 3.01 0.02 2 15 4 4 HIS HB3 H 3.09 0.02 2 16 4 4 HIS HD2 H 7.15 0.02 1 17 4 4 HIS C C 173.2 0.2 1 18 4 4 HIS CA C 55.0 0.2 1 19 4 4 HIS CB C 31.6 0.2 1 20 4 4 HIS N N 121.5 0.2 1 21 5 5 THR H H 8.96 0.02 1 22 5 5 THR HA H 4.63 0.02 1 23 5 5 THR HB H 4.20 0.02 1 24 5 5 THR HG2 H 1.18 0.02 1 25 5 5 THR C C 173.0 0.2 1 26 5 5 THR CA C 60.4 0.2 1 27 5 5 THR CB C 70.8 0.2 1 28 5 5 THR CG2 C 22.8 0.2 1 29 5 5 THR N N 118.0 0.2 1 30 6 6 ASP H H 8.54 0.02 1 31 6 6 ASP HA H 5.20 0.02 1 32 6 6 ASP HB2 H 2.41 0.02 2 33 6 6 ASP HB3 H 2.77 0.02 2 34 6 6 ASP C C 174.5 0.2 1 35 6 6 ASP CA C 54.1 0.2 1 36 6 6 ASP CB C 43.5 0.2 1 37 6 6 ASP N N 120.5 0.2 1 38 7 7 ASN H H 8.77 0.02 1 39 7 7 ASN HA H 5.09 0.02 1 40 7 7 ASN HB2 H 2.33 0.02 2 41 7 7 ASN HB3 H 2.43 0.02 2 42 7 7 ASN HD21 H 7.70 0.02 2 43 7 7 ASN HD22 H 8.39 0.02 2 44 7 7 ASN C C 172.4 0.2 1 45 7 7 ASN CA C 53.1 0.2 1 46 7 7 ASN CB C 45.2 0.2 1 47 7 7 ASN CG C 177.2 0.2 1 48 7 7 ASN N N 122.3 0.2 1 49 7 7 ASN ND2 N 114.5 0.2 1 50 8 8 GLU H H 8.62 0.02 1 51 8 8 GLU HA H 5.28 0.02 1 52 8 8 GLU HB2 H 1.68 0.02 2 53 8 8 GLU HB3 H 1.81 0.02 2 54 8 8 GLU HG2 H 1.87 0.02 2 55 8 8 GLU HG3 H 2.01 0.02 2 56 8 8 GLU C C 173.8 0.2 1 57 8 8 GLU CA C 54.7 0.2 1 58 8 8 GLU CB C 34.0 0.2 1 59 8 8 GLU CG C 35.4 0.2 1 60 8 8 GLU N N 118.9 0.2 1 61 9 9 ILE H H 8.52 0.02 1 62 9 9 ILE HA H 4.46 0.02 1 63 9 9 ILE HB H 1.42 0.02 1 64 9 9 ILE HD1 H 0.74 0.02 1 65 9 9 ILE HG12 H 0.99 0.02 2 66 9 9 ILE HG13 H 1.48 0.02 2 67 9 9 ILE HG2 H 0.50 0.02 1 68 9 9 ILE C C 171.4 0.2 1 69 9 9 ILE CA C 59.3 0.2 1 70 9 9 ILE CB C 43.3 0.2 1 71 9 9 ILE CD1 C 14.2 0.2 1 72 9 9 ILE CG1 C 29.6 0.2 1 73 9 9 ILE CG2 C 17.0 0.2 1 74 9 9 ILE N N 121.5 0.2 1 75 10 10 THR H H 7.99 0.02 1 76 10 10 THR HA H 4.77 0.02 1 77 10 10 THR HB H 3.86 0.02 1 78 10 10 THR HG2 H 0.82 0.02 1 79 10 10 THR C C 173.6 0.2 1 80 10 10 THR CA C 62.4 0.2 1 81 10 10 THR CB C 68.7 0.2 1 82 10 10 THR CG2 C 21.7 0.2 1 83 10 10 THR N N 122.1 0.2 1 84 11 11 ILE H H 9.52 0.02 1 85 11 11 ILE HA H 4.21 0.02 1 86 11 11 ILE HB H 1.80 0.02 1 87 11 11 ILE HD1 H 0.70 0.02 1 88 11 11 ILE HG12 H 0.57 0.02 2 89 11 11 ILE HG13 H 1.64 0.02 2 90 11 11 ILE HG2 H 0.92 0.02 1 91 11 11 ILE C C 175.2 0.2 1 92 11 11 ILE CA C 60.3 0.2 1 93 11 11 ILE CB C 40.8 0.2 1 94 11 11 ILE CD1 C 14.1 0.2 1 95 11 11 ILE CG1 C 27.7 0.2 1 96 11 11 ILE CG2 C 18.6 0.2 1 97 11 11 ILE N N 127.5 0.2 1 98 12 12 ALA H H 10.70 0.02 1 99 12 12 ALA HA H 4.76 0.02 1 100 12 12 ALA HB H 1.23 0.02 1 101 12 12 ALA C C 174.6 0.2 1 102 12 12 ALA CA C 51.2 0.2 1 103 12 12 ALA CB C 16.2 0.2 1 104 12 12 ALA N N 136.9 0.2 1 105 13 13 ALA H H 8.56 0.02 1 106 13 13 ALA HA H 4.68 0.02 1 107 13 13 ALA HB H 1.14 0.02 1 108 13 13 ALA CA C 50.0 0.2 1 109 13 13 ALA CB C 21.5 0.2 1 110 13 13 ALA N N 123.7 0.2 1 111 14 14 PRO HA H 4.51 0.02 1 112 14 14 PRO HB2 H 2.03 0.02 2 113 14 14 PRO HB3 H 2.53 0.02 2 114 14 14 PRO HD2 H 3.40 0.02 2 115 14 14 PRO HD3 H 3.88 0.02 2 116 14 14 PRO C C 177.0 0.2 1 117 14 14 PRO CA C 62.3 0.2 1 118 14 14 PRO CB C 32.8 0.2 1 119 14 14 PRO CD C 50.9 0.2 1 120 14 14 PRO CG C 27.7 0.2 1 121 15 15 MET H H 8.81 0.02 1 122 15 15 MET HA H 4.35 0.02 1 123 15 15 MET HB2 H 2.11 0.02 2 124 15 15 MET HB3 H 2.51 0.02 2 125 15 15 MET HE H 1.99 0.02 1 126 15 15 MET HG2 H 1.97 0.02 2 127 15 15 MET HG3 H 2.11 0.02 2 128 15 15 MET C C 177.7 0.2 1 129 15 15 MET CA C 58.8 0.2 1 130 15 15 MET CB C 31.9 0.2 1 131 15 15 MET CE C 17.8 0.2 1 132 15 15 MET CG C 31.6 0.2 1 133 15 15 MET N N 124.0 0.2 1 134 16 16 GLU H H 9.18 0.02 1 135 16 16 GLU HA H 4.03 0.02 1 136 16 16 GLU HB2 H 1.93 0.02 2 137 16 16 GLU HB3 H 2.03 0.02 2 138 16 16 GLU C C 178.8 0.2 1 139 16 16 GLU CA C 60.2 0.2 1 140 16 16 GLU CB C 29.1 0.2 1 141 16 16 GLU CG C 35.7 0.2 1 142 16 16 GLU N N 117.1 0.2 1 143 17 17 LEU H H 6.93 0.02 1 144 17 17 LEU HA H 4.32 0.02 1 145 17 17 LEU HB2 H 1.67 0.02 2 146 17 17 LEU HB3 H 1.79 0.02 2 147 17 17 LEU HD1 H 0.98 0.02 1 148 17 17 LEU HD2 H 0.90 0.02 1 149 17 17 LEU HG H 1.13 0.02 1 150 17 17 LEU C C 178.4 0.2 1 151 17 17 LEU CA C 57.8 0.2 1 152 17 17 LEU CB C 42.6 0.2 1 153 17 17 LEU CD1 C 23.1 0.2 1 154 17 17 LEU CD2 C 26.0 0.2 1 155 17 17 LEU N N 120.0 0.2 1 156 18 18 VAL H H 8.02 0.02 1 157 18 18 VAL HA H 3.61 0.02 1 158 18 18 VAL HB H 2.31 0.02 1 159 18 18 VAL HG1 H 1.14 0.02 1 160 18 18 VAL HG2 H 1.03 0.02 1 161 18 18 VAL C C 179.9 0.2 1 162 18 18 VAL CA C 67.0 0.2 1 163 18 18 VAL CB C 32.6 0.2 1 164 18 18 VAL CG1 C 22.1 0.2 1 165 18 18 VAL CG2 C 23.8 0.2 1 166 18 18 VAL N N 118.2 0.2 1 167 19 19 TRP H H 9.81 0.02 1 168 19 19 TRP HA H 3.55 0.02 1 169 19 19 TRP HB2 H 2.80 0.02 2 170 19 19 TRP HB3 H 3.22 0.02 2 171 19 19 TRP HE1 H 10.55 0.02 1 172 19 19 TRP HZ2 H 7.01 0.02 1 173 19 19 TRP C C 177.6 0.2 1 174 19 19 TRP CA C 61.5 0.2 1 175 19 19 TRP CB C 28.8 0.2 1 176 19 19 TRP CZ2 C 113.5 0.2 1 177 19 19 TRP N N 122.4 0.2 1 178 19 19 TRP NE1 N 132.0 0.2 1 179 20 20 THR H H 8.48 0.02 1 180 20 20 THR HA H 3.85 0.02 1 181 20 20 THR HB H 4.30 0.02 1 182 20 20 THR HG2 H 1.38 0.02 1 183 20 20 THR C C 177.7 0.2 1 184 20 20 THR CA C 66.7 0.2 1 185 20 20 THR CB C 68.9 0.2 1 186 20 20 THR CG2 C 21.7 0.2 1 187 20 20 THR N N 114.2 0.2 1 188 21 21 MET H H 8.65 0.02 1 189 21 21 MET HA H 4.31 0.02 1 190 21 21 MET HB2 H 1.95 0.02 2 191 21 21 MET HB3 H 2.01 0.02 2 192 21 21 MET HE H 1.97 0.02 1 193 21 21 MET HG2 H 2.58 0.02 2 194 21 21 MET HG3 H 2.89 0.02 2 195 21 21 MET C C 179.6 0.2 1 196 21 21 MET CA C 60.6 0.2 1 197 21 21 MET CB C 33.0 0.2 1 198 21 21 MET CE C 16.0 0.2 1 199 21 21 MET CG C 33.4 0.2 1 200 21 21 MET N N 117.4 0.2 1 201 22 22 THR H H 7.84 0.02 1 202 22 22 THR HA H 4.20 0.02 1 203 22 22 THR HB H 4.59 0.02 1 204 22 22 THR HG2 H 1.36 0.02 1 205 22 22 THR C C 175.3 0.2 1 206 22 22 THR CA C 65.2 0.2 1 207 22 22 THR CB C 69.8 0.2 1 208 22 22 THR CG2 C 23.2 0.2 1 209 22 22 THR N N 104.0 0.2 1 210 23 23 ASN H H 7.02 0.02 1 211 23 23 ASN HA H 4.84 0.02 1 212 23 23 ASN HB2 H 2.05 0.02 2 213 23 23 ASN HB3 H 2.44 0.02 2 214 23 23 ASN HD21 H 4.26 0.02 2 215 23 23 ASN HD22 H 6.02 0.02 2 216 23 23 ASN C C 173.2 0.2 1 217 23 23 ASN CA C 54.8 0.2 1 218 23 23 ASN CB C 38.6 0.2 1 219 23 23 ASN CG C 176.5 0.2 1 220 23 23 ASN N N 115.5 0.2 1 221 23 23 ASN ND2 N 110.5 0.2 1 222 24 24 ASP H H 7.00 0.02 1 223 24 24 ASP HA H 4.63 0.02 1 224 24 24 ASP HB2 H 2.65 0.02 2 225 24 24 ASP HB3 H 3.06 0.02 2 226 24 24 ASP C C 177.0 0.2 1 227 24 24 ASP CA C 52.2 0.2 1 228 24 24 ASP CB C 37.9 0.2 1 229 24 24 ASP N N 121.4 0.2 1 230 25 25 ILE H H 6.91 0.02 1 231 25 25 ILE HA H 1.72 0.02 1 232 25 25 ILE HB H 0.06 0.02 1 233 25 25 ILE HD1 H -0.36 0.02 1 234 25 25 ILE HG12 H 0.24 0.02 2 235 25 25 ILE HG13 H 0.32 0.02 2 236 25 25 ILE HG2 H -0.36 0.02 1 237 25 25 ILE C C 177.1 0.2 1 238 25 25 ILE CA C 64.2 0.2 1 239 25 25 ILE CB C 36.2 0.2 1 240 25 25 ILE CD1 C 13.3 0.2 1 241 25 25 ILE CG1 C 25.5 0.2 1 242 25 25 ILE CG2 C 16.9 0.2 1 243 25 25 ILE N N 119.7 0.2 1 244 26 26 GLU H H 8.40 0.02 1 245 26 26 GLU HA H 3.74 0.02 1 246 26 26 GLU HB2 H 1.85 0.02 2 247 26 26 GLU HB3 H 2.04 0.02 2 248 26 26 GLU HG2 H 2.05 0.02 2 249 26 26 GLU HG3 H 2.13 0.02 2 250 26 26 GLU C C 177.8 0.2 1 251 26 26 GLU CA C 59.1 0.2 1 252 26 26 GLU CB C 29.6 0.2 1 253 26 26 GLU CG C 38.1 0.2 1 254 26 26 GLU N N 117.7 0.2 1 255 27 27 LYS H H 7.62 0.02 1 256 27 27 LYS HA H 4.64 0.02 1 257 27 27 LYS HB2 H 1.80 0.02 2 258 27 27 LYS HB3 H 2.24 0.02 2 259 27 27 LYS HG2 H 1.24 0.02 2 260 27 27 LYS HG3 H 1.46 0.02 2 261 27 27 LYS CA C 55.2 0.2 1 262 27 27 LYS CB C 32.6 0.2 1 263 27 27 LYS CD C 28.5 0.2 1 264 27 27 LYS CE C 42.0 0.2 1 265 27 27 LYS CG C 25.4 0.2 1 266 27 27 LYS N N 115.2 0.2 1 267 28 28 TRP H H 8.12 0.02 1 268 28 28 TRP HA H 5.02 0.02 1 269 28 28 TRP HB2 H 3.19 0.02 2 270 28 28 TRP HB3 H 3.68 0.02 2 271 28 28 TRP HD1 H 7.12 0.02 1 272 28 28 TRP HE1 H 10.16 0.02 1 273 28 28 TRP HE3 H 6.95 0.02 1 274 28 28 TRP HH2 H 6.49 0.02 1 275 28 28 TRP HZ2 H 7.20 0.02 1 276 28 28 TRP HZ3 H 6.60 0.02 1 277 28 28 TRP CA C 60.2 0.2 1 278 28 28 TRP CB C 28.4 0.2 1 279 28 28 TRP CD1 C 123.0 0.2 1 280 28 28 TRP CE3 C 120.1 0.2 1 281 28 28 TRP CH2 C 123.6 0.2 1 282 28 28 TRP CZ2 C 115.4 0.2 1 283 28 28 TRP CZ3 C 121.3 0.2 1 284 28 28 TRP N N 122.6 0.2 1 285 28 28 TRP NE1 N 125.0 0.2 1 286 29 29 PRO HA H 4.74 0.02 1 287 29 29 PRO HB2 H 1.84 0.02 2 288 29 29 PRO HB3 H 2.45 0.02 2 289 29 29 PRO HD2 H 3.54 0.02 2 290 29 29 PRO HD3 H 3.66 0.02 2 291 29 29 PRO HG2 H 1.33 0.02 2 292 29 29 PRO HG3 H 1.37 0.02 2 293 29 29 PRO C C 176.2 0.2 1 294 29 29 PRO CA C 66.2 0.2 1 295 29 29 PRO CB C 30.7 0.2 1 296 29 29 PRO CD C 51.1 0.2 1 297 29 29 PRO CG C 29.2 0.2 1 298 30 30 GLY H H 7.81 0.02 1 299 30 30 GLY HA2 H 3.87 0.02 2 300 30 30 GLY HA3 H 4.30 0.02 2 301 30 30 GLY C C 173.9 0.2 1 302 30 30 GLY CA C 45.3 0.2 1 303 30 30 GLY N N 102.8 0.2 1 304 31 31 LEU H H 8.10 0.02 1 305 31 31 LEU HA H 4.36 0.02 1 306 31 31 LEU HB2 H 1.68 0.02 2 307 31 31 LEU HB3 H 1.74 0.02 2 308 31 31 LEU HD1 H 0.89 0.02 1 309 31 31 LEU HD2 H 0.82 0.02 1 310 31 31 LEU HG H 1.59 0.02 1 311 31 31 LEU C C 175.6 0.2 1 312 31 31 LEU CA C 56.6 0.2 1 313 31 31 LEU CB C 44.6 0.2 1 314 31 31 LEU CD1 C 24.2 0.2 1 315 31 31 LEU CD2 C 24.9 0.2 1 316 31 31 LEU CG C 26.7 0.2 1 317 31 31 LEU N N 123.3 0.2 1 318 32 32 PHE H H 8.20 0.02 1 319 32 32 PHE HA H 4.48 0.02 1 320 32 32 PHE HB2 H 2.68 0.02 2 321 32 32 PHE HB3 H 2.90 0.02 2 322 32 32 PHE HD1 H 7.14 0.02 3 323 32 32 PHE HE1 H 6.46 0.02 3 324 32 32 PHE HZ H 6.58 0.02 1 325 32 32 PHE C C 176.3 0.2 1 326 32 32 PHE CA C 57.4 0.2 1 327 32 32 PHE CB C 40.1 0.2 1 328 32 32 PHE CD1 C 132.6 0.2 3 329 32 32 PHE CE1 C 130.4 0.2 3 330 32 32 PHE CZ C 128.6 0.2 1 331 32 32 PHE N N 115.1 0.2 1 332 33 33 SER H H 9.01 0.02 1 333 33 33 SER HA H 4.68 0.02 1 334 33 33 SER HB2 H 3.75 0.02 2 335 33 33 SER HB3 H 4.02 0.02 2 336 33 33 SER C C 176.3 0.2 1 337 33 33 SER CA C 59.8 0.2 1 338 33 33 SER CB C 64.3 0.2 1 339 33 33 SER N N 114.9 0.2 1 340 34 34 GLU H H 7.87 0.02 1 341 34 34 GLU HA H 4.38 0.02 1 342 34 34 GLU HB2 H 1.74 0.02 2 343 34 34 GLU HG2 H 1.90 0.02 2 344 34 34 GLU HG3 H 1.97 0.02 2 345 34 34 GLU C C 176.2 0.2 1 346 34 34 GLU CA C 57.8 0.2 1 347 34 34 GLU CB C 30.8 0.2 1 348 34 34 GLU CG C 35.7 0.2 1 349 34 34 GLU N N 118.7 0.2 1 350 35 35 TYR H H 7.66 0.02 1 351 35 35 TYR HA H 4.87 0.02 1 352 35 35 TYR HB2 H 2.64 0.02 2 353 35 35 TYR HB3 H 2.77 0.02 2 354 35 35 TYR HD1 H 6.58 0.02 3 355 35 35 TYR HE1 H 6.07 0.02 3 356 35 35 TYR C C 174.2 0.2 1 357 35 35 TYR CA C 55.4 0.2 1 358 35 35 TYR CB C 38.4 0.2 1 359 35 35 TYR CD1 C 131.4 0.2 3 360 35 35 TYR CE1 C 119.2 0.2 3 361 35 35 TYR N N 116.9 0.2 1 362 36 36 ALA H H 8.85 0.02 1 363 36 36 ALA HA H 3.90 0.02 1 364 36 36 ALA HB H 0.79 0.02 1 365 36 36 ALA C C 178.2 0.2 1 366 36 36 ALA CA C 53.1 0.2 1 367 36 36 ALA CB C 19.8 0.2 1 368 36 36 ALA N N 126.2 0.2 1 369 37 37 SER H H 7.66 0.02 1 370 37 37 SER HA H 4.50 0.02 1 371 37 37 SER HB2 H 3.67 0.02 2 372 37 37 SER HB3 H 3.73 0.02 2 373 37 37 SER C C 171.6 0.2 1 374 37 37 SER CA C 57.7 0.2 1 375 37 37 SER CB C 65.2 0.2 1 376 37 37 SER N N 107.2 0.2 1 377 38 38 VAL H H 8.46 0.02 1 378 38 38 VAL HA H 4.71 0.02 1 379 38 38 VAL HB H 1.78 0.02 1 380 38 38 VAL HG1 H 0.45 0.02 1 381 38 38 VAL HG2 H 0.86 0.02 1 382 38 38 VAL C C 173.9 0.2 1 383 38 38 VAL CA C 61.5 0.2 1 384 38 38 VAL CB C 35.4 0.2 1 385 38 38 VAL CG1 C 20.7 0.2 1 386 38 38 VAL CG2 C 21.4 0.2 1 387 38 38 VAL N N 121.4 0.2 1 388 39 39 GLU H H 8.54 0.02 1 389 39 39 GLU HA H 4.67 0.02 1 390 39 39 GLU HB2 H 1.75 0.02 2 391 39 39 GLU HB3 H 1.89 0.02 2 392 39 39 GLU HG2 H 1.96 0.02 2 393 39 39 GLU HG3 H 2.10 0.02 2 394 39 39 GLU C C 175.5 0.2 1 395 39 39 GLU CA C 54.0 0.2 1 396 39 39 GLU CB C 33.6 0.2 1 397 39 39 GLU CG C 35.7 0.2 1 398 39 39 GLU N N 125.6 0.2 1 399 40 40 VAL H H 9.40 0.02 1 400 40 40 VAL HA H 3.79 0.02 1 401 40 40 VAL HB H 1.99 0.02 1 402 40 40 VAL HG1 H 0.84 0.02 1 403 40 40 VAL HG2 H 0.71 0.02 1 404 40 40 VAL C C 175.8 0.2 1 405 40 40 VAL CA C 64.7 0.2 1 406 40 40 VAL CB C 31.3 0.2 1 407 40 40 VAL CG1 C 21.3 0.2 1 408 40 40 VAL CG2 C 21.7 0.2 1 409 40 40 VAL N N 127.4 0.2 1 410 41 41 LEU H H 9.15 0.02 1 411 41 41 LEU HA H 4.41 0.02 1 412 41 41 LEU HB2 H 1.29 0.02 2 413 41 41 LEU HB3 H 1.55 0.02 2 414 41 41 LEU HD1 H 0.77 0.02 1 415 41 41 LEU HD2 H 0.69 0.02 1 416 41 41 LEU C C 177.5 0.2 1 417 41 41 LEU CA C 55.1 0.2 1 418 41 41 LEU CB C 42.6 0.2 1 419 41 41 LEU CD1 C 26.4 0.2 1 420 41 41 LEU CD2 C 22.4 0.2 1 421 41 41 LEU CG C 27.3 0.2 1 422 41 41 LEU N N 129.8 0.2 1 423 42 42 GLY H H 7.67 0.02 1 424 42 42 GLY HA2 H 3.97 0.02 2 425 42 42 GLY HA3 H 4.11 0.02 2 426 42 42 GLY C C 171.8 0.2 1 427 42 42 GLY CA C 45.9 0.2 1 428 42 42 GLY N N 106.5 0.2 1 429 43 43 ARG H H 8.30 0.02 1 430 43 43 ARG HA H 5.04 0.02 1 431 43 43 ARG HB2 H 1.67 0.02 2 432 43 43 ARG HB3 H 1.76 0.02 2 433 43 43 ARG HD2 H 3.10 0.02 2 434 43 43 ARG HD3 H 3.20 0.02 2 435 43 43 ARG HE H 7.30 0.02 1 436 43 43 ARG HG2 H 1.46 0.02 2 437 43 43 ARG HG3 H 1.49 0.02 2 438 43 43 ARG CA C 55.6 0.2 1 439 43 43 ARG CB C 33.3 0.2 1 440 43 43 ARG CD C 43.5 0.2 1 441 43 43 ARG CG C 28.0 0.2 1 442 43 43 ARG N N 120.0 0.2 1 443 43 43 ARG NE N 84.8 0.2 1 444 44 44 ASP H H 8.55 0.02 1 445 44 44 ASP HA H 4.78 0.02 1 446 44 44 ASP HB2 H 2.55 0.02 2 447 44 44 ASP HB3 H 2.65 0.02 2 448 44 44 ASP C C 175.7 0.2 1 449 44 44 ASP CA C 53.3 0.2 1 450 44 44 ASP CB C 42.3 0.2 1 451 44 44 ASP N N 124.3 0.2 1 452 45 45 ASP H H 9.04 0.02 1 453 45 45 ASP HA H 4.15 0.02 1 454 45 45 ASP HB2 H 2.80 0.02 2 455 45 45 ASP HB3 H 2.92 0.02 2 456 45 45 ASP C C 175.2 0.2 1 457 45 45 ASP CA C 57.0 0.2 1 458 45 45 ASP CB C 39.4 0.2 1 459 45 45 ASP N N 123.7 0.2 1 460 46 46 ASP H H 8.62 0.02 1 461 46 46 ASP HA H 4.64 0.02 1 462 46 46 ASP HB2 H 2.87 0.02 2 463 46 46 ASP HB3 H 2.92 0.02 2 464 46 46 ASP C C 174.4 0.2 1 465 46 46 ASP CA C 55.0 0.2 1 466 46 46 ASP CB C 40.6 0.2 1 467 46 46 ASP N N 120.3 0.2 1 468 47 47 LYS H H 8.22 0.02 1 469 47 47 LYS HA H 4.92 0.02 1 470 47 47 LYS HB2 H 1.70 0.02 2 471 47 47 LYS HB3 H 1.93 0.02 2 472 47 47 LYS HD2 H 1.55 0.02 2 473 47 47 LYS HD3 H 1.57 0.02 2 474 47 47 LYS HG2 H 1.17 0.02 2 475 47 47 LYS HG3 H 1.23 0.02 2 476 47 47 LYS C C 176.0 0.2 1 477 47 47 LYS CA C 55.8 0.2 1 478 47 47 LYS CB C 33.8 0.2 1 479 47 47 LYS CD C 29.0 0.2 1 480 47 47 LYS CE C 41.8 0.2 1 481 47 47 LYS CG C 24.6 0.2 1 482 47 47 LYS N N 121.2 0.2 1 483 48 48 VAL H H 9.04 0.02 1 484 48 48 VAL HA H 4.72 0.02 1 485 48 48 VAL HB H 1.93 0.02 1 486 48 48 VAL HG1 H 0.89 0.02 1 487 48 48 VAL HG2 H 0.95 0.02 1 488 48 48 VAL C C 175.0 0.2 1 489 48 48 VAL CA C 61.6 0.2 1 490 48 48 VAL CB C 34.6 0.2 1 491 48 48 VAL CG1 C 21.6 0.2 1 492 48 48 VAL CG2 C 22.2 0.2 1 493 48 48 VAL N N 128.6 0.2 1 494 49 49 THR H H 8.83 0.02 1 495 49 49 THR HA H 5.17 0.02 1 496 49 49 THR HB H 3.77 0.02 1 497 49 49 THR HG2 H 1.13 0.02 1 498 49 49 THR C C 174.6 0.2 1 499 49 49 THR CA C 62.4 0.2 1 500 49 49 THR CB C 69.5 0.2 1 501 49 49 THR CG2 C 22.0 0.2 1 502 49 49 THR N N 124.9 0.2 1 503 50 50 PHE H H 9.10 0.02 1 504 50 50 PHE HA H 5.47 0.02 1 505 50 50 PHE HB2 H 2.44 0.02 2 506 50 50 PHE HB3 H 2.64 0.02 2 507 50 50 PHE HD1 H 6.65 0.02 3 508 50 50 PHE HE1 H 6.90 0.02 3 509 50 50 PHE HZ H 7.09 0.02 1 510 50 50 PHE C C 170.6 0.2 1 511 50 50 PHE CA C 55.2 0.2 1 512 50 50 PHE CB C 41.7 0.2 1 513 50 50 PHE CD1 C 132.4 0.2 3 514 50 50 PHE CE1 C 130.6 0.2 3 515 50 50 PHE CZ C 129.3 0.2 1 516 50 50 PHE N N 123.6 0.2 1 517 51 51 ARG H H 9.44 0.02 1 518 51 51 ARG HA H 4.89 0.02 1 519 51 51 ARG HB2 H 1.49 0.02 2 520 51 51 ARG HB3 H 1.67 0.02 2 521 51 51 ARG HD2 H 2.96 0.02 2 522 51 51 ARG HD3 H 3.07 0.02 2 523 51 51 ARG HE H 7.25 0.02 1 524 51 51 ARG C C 175.3 0.2 1 525 51 51 ARG CA C 54.0 0.2 1 526 51 51 ARG CB C 33.3 0.2 1 527 51 51 ARG CD C 42.3 0.2 1 528 51 51 ARG CG C 27.6 0.2 1 529 51 51 ARG N N 121.7 0.2 1 530 51 51 ARG NE N 82.2 0.2 1 531 52 52 LEU H H 8.36 0.02 1 532 52 52 LEU HA H 4.52 0.02 1 533 52 52 LEU HB2 H 0.44 0.02 2 534 52 52 LEU HB3 H 0.48 0.02 2 535 52 52 LEU HD1 H 0.44 0.02 1 536 52 52 LEU HD2 H 0.24 0.02 1 537 52 52 LEU HG H 1.13 0.02 1 538 52 52 LEU C C 175.1 0.2 1 539 52 52 LEU CA C 53.5 0.2 1 540 52 52 LEU CB C 43.8 0.2 1 541 52 52 LEU CD1 C 24.9 0.2 1 542 52 52 LEU CD2 C 24.3 0.2 1 543 52 52 LEU CG C 26.5 0.2 1 544 52 52 LEU N N 130.5 0.2 1 545 53 53 THR H H 7.94 0.02 1 546 53 53 THR HA H 4.58 0.02 1 547 53 53 THR HB H 3.87 0.02 1 548 53 53 THR HG2 H 1.09 0.02 1 549 53 53 THR C C 174.6 0.2 1 550 53 53 THR CA C 62.2 0.2 1 551 53 53 THR CB C 70.3 0.2 1 552 53 53 THR CG2 C 21.3 0.2 1 553 53 53 THR N N 116.6 0.2 1 554 54 54 MET H H 8.72 0.02 1 555 54 54 MET HA H 4.92 0.02 1 556 54 54 MET HB2 H 2.48 0.02 2 557 54 54 MET HB3 H 2.82 0.02 2 558 54 54 MET HE H 2.22 0.02 1 559 54 54 MET HG2 H 2.60 0.02 2 560 54 54 MET HG3 H 2.96 0.02 2 561 54 54 MET C C 176.8 0.2 1 562 54 54 MET CA C 56.1 0.2 1 563 54 54 MET CB C 35.2 0.2 1 564 54 54 MET CE C 17.7 0.2 1 565 54 54 MET CG C 33.4 0.2 1 566 54 54 MET N N 126.7 0.2 1 567 55 55 HIS H H 7.80 0.02 1 568 55 55 HIS HA H 4.66 0.02 1 569 55 55 HIS HB2 H 2.88 0.02 2 570 55 55 HIS HB3 H 3.21 0.02 2 571 55 55 HIS CA C 56.5 0.2 1 572 55 55 HIS CB C 29.1 0.2 1 573 55 55 HIS N N 117.3 0.2 1 574 56 56 PRO HA H 4.31 0.02 1 575 56 56 PRO HB2 H 1.93 0.02 2 576 56 56 PRO HB3 H 1.98 0.02 2 577 56 56 PRO HD2 H 3.80 0.02 2 578 56 56 PRO HD3 H 3.99 0.02 2 579 56 56 PRO C C 176.5 0.2 1 580 56 56 PRO CA C 63.2 0.2 1 581 56 56 PRO CB C 31.6 0.2 1 582 56 56 PRO CD C 50.2 0.2 1 583 56 56 PRO CG C 27.8 0.2 1 584 57 57 ASP H H 8.38 0.02 1 585 57 57 ASP HA H 4.72 0.02 1 586 57 57 ASP HB2 H 3.03 0.02 2 587 57 57 ASP HB3 H 3.52 0.02 2 588 57 57 ASP C C 178.3 0.2 1 589 57 57 ASP CA C 52.5 0.2 1 590 57 57 ASP CB C 41.4 0.2 1 591 57 57 ASP N N 123.0 0.2 1 592 58 58 ALA H H 8.52 0.02 1 593 58 58 ALA HA H 4.12 0.02 1 594 58 58 ALA HB H 1.47 0.02 1 595 58 58 ALA C C 178.7 0.2 1 596 58 58 ALA CA C 55.0 0.2 1 597 58 58 ALA CB C 18.7 0.2 1 598 58 58 ALA N N 120.6 0.2 1 599 59 59 ASP H H 8.12 0.02 1 600 59 59 ASP HA H 4.80 0.02 1 601 59 59 ASP HB2 H 2.73 0.02 2 602 59 59 ASP HB3 H 2.88 0.02 2 603 59 59 ASP C C 176.5 0.2 1 604 59 59 ASP CA C 54.0 0.2 1 605 59 59 ASP CB C 41.9 0.2 1 606 59 59 ASP N N 115.6 0.2 1 607 60 60 GLY H H 8.38 0.02 1 608 60 60 GLY HA2 H 3.56 0.02 2 609 60 60 GLY HA3 H 4.17 0.02 2 610 60 60 GLY C C 174.1 0.2 1 611 60 60 GLY CA C 45.5 0.2 1 612 60 60 GLY N N 109.4 0.2 1 613 61 61 LYS H H 8.38 0.02 1 614 61 61 LYS HA H 4.06 0.02 1 615 61 61 LYS HB2 H 1.36 0.02 2 616 61 61 LYS HB3 H 1.77 0.02 2 617 61 61 LYS HD2 H 1.33 0.02 2 618 61 61 LYS HD3 H 1.43 0.02 2 619 61 61 LYS HE2 H 2.35 0.02 2 620 61 61 LYS HE3 H 2.38 0.02 2 621 61 61 LYS HG2 H 0.82 0.02 2 622 61 61 LYS HG3 H 0.91 0.02 2 623 61 61 LYS C C 176.7 0.2 1 624 61 61 LYS CA C 56.1 0.2 1 625 61 61 LYS CB C 32.4 0.2 1 626 61 61 LYS CD C 28.4 0.2 1 627 61 61 LYS CE C 41.8 0.2 1 628 61 61 LYS CG C 24.6 0.2 1 629 61 61 LYS N N 122.4 0.2 1 630 62 62 VAL H H 8.56 0.02 1 631 62 62 VAL HA H 3.93 0.02 1 632 62 62 VAL HB H 1.81 0.02 1 633 62 62 VAL HG1 H 0.81 0.02 2 634 62 62 VAL HG2 H 0.84 0.02 2 635 62 62 VAL C C 175.0 0.2 1 636 62 62 VAL CA C 62.7 0.2 1 637 62 62 VAL CB C 32.8 0.2 1 638 62 62 VAL N N 126.8 0.2 1 639 63 63 TRP H H 8.31 0.02 1 640 63 63 TRP HA H 5.01 0.02 1 641 63 63 TRP HB2 H 3.38 0.02 2 642 63 63 TRP HB3 H 3.50 0.02 2 643 63 63 TRP HD1 H 7.55 0.02 1 644 63 63 TRP HE1 H 10.28 0.02 1 645 63 63 TRP HE3 H 7.89 0.02 1 646 63 63 TRP HH2 H 7.17 0.02 1 647 63 63 TRP HZ2 H 7.45 0.02 1 648 63 63 TRP C C 174.7 0.2 1 649 63 63 TRP CA C 56.2 0.2 1 650 63 63 TRP CB C 31.3 0.2 1 651 63 63 TRP CD1 C 128.8 0.2 1 652 63 63 TRP CE3 C 120.7 0.2 1 653 63 63 TRP CH2 C 124.2 0.2 1 654 63 63 TRP CZ2 C 114.8 0.2 1 655 63 63 TRP N N 130.3 0.2 1 656 63 63 TRP NE1 N 129.9 0.2 1 657 64 64 SER H H 8.57 0.02 1 658 64 64 SER HA H 5.55 0.02 1 659 64 64 SER HB2 H 3.65 0.02 2 660 64 64 SER C C 173.9 0.2 1 661 64 64 SER CA C 56.4 0.2 1 662 64 64 SER CB C 66.6 0.2 1 663 64 64 SER N N 116.0 0.2 1 664 65 65 TRP H H 8.41 0.02 1 665 65 65 TRP HA H 5.32 0.02 1 666 65 65 TRP HB2 H 3.30 0.02 2 667 65 65 TRP HB3 H 3.75 0.02 2 668 65 65 TRP HD1 H 6.89 0.02 1 669 65 65 TRP HE1 H 9.80 0.02 1 670 65 65 TRP HH2 H 7.24 0.02 1 671 65 65 TRP HZ2 H 7.34 0.02 1 672 65 65 TRP HZ3 H 6.93 0.02 1 673 65 65 TRP C C 173.7 0.2 1 674 65 65 TRP CA C 57.7 0.2 1 675 65 65 TRP CB C 31.7 0.2 1 676 65 65 TRP CD1 C 127.2 0.2 1 677 65 65 TRP CE3 C 120.9 0.2 1 678 65 65 TRP CH2 C 123.7 0.2 1 679 65 65 TRP CZ2 C 115.0 0.2 1 680 65 65 TRP CZ3 C 121.5 0.2 1 681 65 65 TRP N N 120.9 0.2 1 682 65 65 TRP NE1 N 129.9 0.2 1 683 66 66 VAL H H 7.53 0.02 1 684 66 66 VAL HA H 4.76 0.02 1 685 66 66 VAL HB H 1.61 0.02 1 686 66 66 VAL HG1 H 0.73 0.02 1 687 66 66 VAL HG2 H 0.83 0.02 1 688 66 66 VAL CA C 61.7 0.2 1 689 66 66 VAL CB C 34.1 0.2 1 690 66 66 VAL CG1 C 21.8 0.2 1 691 66 66 VAL CG2 C 22.3 0.2 1 692 66 66 VAL N N 120.3 0.2 1 693 67 67 SER H H 8.55 0.02 1 694 67 67 SER HA H 5.00 0.02 1 695 67 67 SER HB2 H 2.71 0.02 2 696 67 67 SER HB3 H 3.42 0.02 2 697 67 67 SER C C 169.8 0.2 1 698 67 67 SER CA C 57.5 0.2 1 699 67 67 SER CB C 67.7 0.2 1 700 67 67 SER N N 124.4 0.2 1 701 68 68 GLU H H 8.47 0.02 1 702 68 68 GLU HA H 5.67 0.02 1 703 68 68 GLU HB2 H 1.78 0.02 2 704 68 68 GLU HB3 H 1.85 0.02 2 705 68 68 GLU HG2 H 2.07 0.02 2 706 68 68 GLU HG3 H 2.19 0.02 2 707 68 68 GLU C C 175.5 0.2 1 708 68 68 GLU CA C 54.0 0.2 1 709 68 68 GLU CB C 33.7 0.2 1 710 68 68 GLU CG C 35.8 0.2 1 711 68 68 GLU N N 118.2 0.2 1 712 69 69 ARG H H 9.33 0.02 1 713 69 69 ARG HA H 5.56 0.02 1 714 69 69 ARG HB2 H 1.55 0.02 2 715 69 69 ARG HB3 H 1.62 0.02 2 716 69 69 ARG HD2 H 2.53 0.02 2 717 69 69 ARG HD3 H 2.82 0.02 2 718 69 69 ARG HE H 7.20 0.02 1 719 69 69 ARG HG2 H 1.35 0.02 2 720 69 69 ARG HG3 H 1.44 0.02 2 721 69 69 ARG C C 173.3 0.2 1 722 69 69 ARG CA C 54.3 0.2 1 723 69 69 ARG CB C 35.0 0.2 1 724 69 69 ARG CD C 43.5 0.2 1 725 69 69 ARG CG C 25.8 0.2 1 726 69 69 ARG N N 119.2 0.2 1 727 69 69 ARG NE N 80.1 0.2 1 728 70 70 VAL H H 8.83 0.02 1 729 70 70 VAL HA H 4.61 0.02 1 730 70 70 VAL HB H 2.04 0.02 1 731 70 70 VAL HG1 H 0.89 0.02 1 732 70 70 VAL C C 174.9 0.2 1 733 70 70 VAL CA C 61.6 0.2 1 734 70 70 VAL CB C 34.5 0.2 1 735 70 70 VAL CG1 C 20.8 0.2 1 736 70 70 VAL CG2 C 21.3 0.2 1 737 70 70 VAL N N 122.1 0.2 1 738 71 71 ALA H H 8.94 0.02 1 739 71 71 ALA HA H 5.03 0.02 1 740 71 71 ALA HB H 1.35 0.02 1 741 71 71 ALA C C 175.8 0.2 1 742 71 71 ALA CA C 51.2 0.2 1 743 71 71 ALA CB C 20.6 0.2 1 744 71 71 ALA N N 132.4 0.2 1 745 72 72 ASP H H 9.32 0.02 1 746 72 72 ASP HA H 5.44 0.02 1 747 72 72 ASP HB2 H 2.64 0.02 2 748 72 72 ASP HB3 H 3.24 0.02 2 749 72 72 ASP CA C 50.8 0.2 1 750 72 72 ASP CB C 42.9 0.2 1 751 72 72 ASP N N 122.7 0.2 1 752 73 73 PRO HA H 3.25 0.02 1 753 73 73 PRO HB2 H 1.72 0.02 2 754 73 73 PRO HB3 H 1.87 0.02 2 755 73 73 PRO HD2 H 4.06 0.02 2 756 73 73 PRO HD3 H 4.24 0.02 2 757 73 73 PRO HG2 H 2.00 0.02 2 758 73 73 PRO HG3 H 2.15 0.02 2 759 73 73 PRO C C 176.6 0.2 1 760 73 73 PRO CA C 63.9 0.2 1 761 73 73 PRO CB C 31.7 0.2 1 762 73 73 PRO CD C 51.0 0.2 1 763 73 73 PRO CG C 26.6 0.2 1 764 74 74 VAL H H 7.95 0.02 1 765 74 74 VAL HA H 3.61 0.02 1 766 74 74 VAL HB H 2.45 0.02 1 767 74 74 VAL HG1 H 0.90 0.02 1 768 74 74 VAL HG2 H 0.97 0.02 1 769 74 74 VAL C C 178.2 0.2 1 770 74 74 VAL CA C 66.2 0.2 1 771 74 74 VAL CB C 31.0 0.2 1 772 74 74 VAL CG1 C 20.7 0.2 1 773 74 74 VAL CG2 C 22.3 0.2 1 774 74 74 VAL N N 119.7 0.2 1 775 75 75 THR H H 6.98 0.02 1 776 75 75 THR HA H 4.27 0.02 1 777 75 75 THR HB H 4.49 0.02 1 778 75 75 THR HG2 H 1.27 0.02 1 779 75 75 THR C C 175.5 0.2 1 780 75 75 THR CA C 61.7 0.2 1 781 75 75 THR CB C 69.9 0.2 1 782 75 75 THR CG2 C 21.5 0.2 1 783 75 75 THR N N 106.1 0.2 1 784 76 76 ARG H H 7.76 0.02 1 785 76 76 ARG HA H 3.37 0.02 1 786 76 76 ARG HB2 H 1.73 0.02 2 787 76 76 ARG HB3 H 2.57 0.02 2 788 76 76 ARG HD2 H 1.98 0.02 2 789 76 76 ARG HD3 H 2.24 0.02 2 790 76 76 ARG HE H 7.07 0.02 1 791 76 76 ARG HG2 H 1.26 0.02 2 792 76 76 ARG HG3 H 1.46 0.02 2 793 76 76 ARG C C 174.5 0.2 1 794 76 76 ARG CA C 55.9 0.2 1 795 76 76 ARG CB C 27.1 0.2 1 796 76 76 ARG CD C 43.1 0.2 1 797 76 76 ARG CG C 25.0 0.2 1 798 76 76 ARG N N 118.0 0.2 1 799 76 76 ARG NE N 86.1 0.2 1 800 77 77 THR H H 7.92 0.02 1 801 77 77 THR HA H 5.89 0.02 1 802 77 77 THR HB H 4.11 0.02 1 803 77 77 THR HG2 H 1.39 0.02 1 804 77 77 THR C C 174.1 0.2 1 805 77 77 THR CA C 60.7 0.2 1 806 77 77 THR CB C 73.1 0.2 1 807 77 77 THR CG2 C 22.0 0.2 1 808 77 77 THR N N 109.2 0.2 1 809 78 78 VAL H H 9.82 0.02 1 810 78 78 VAL HA H 5.17 0.02 1 811 78 78 VAL HB H 2.01 0.02 1 812 78 78 VAL HG1 H 0.52 0.02 1 813 78 78 VAL HG2 H 1.19 0.02 1 814 78 78 VAL C C 175.2 0.2 1 815 78 78 VAL CA C 60.9 0.2 1 816 78 78 VAL CB C 34.9 0.2 1 817 78 78 VAL CG1 C 20.1 0.2 1 818 78 78 VAL CG2 C 21.1 0.2 1 819 78 78 VAL N N 124.2 0.2 1 820 79 79 ARG H H 8.41 0.02 1 821 79 79 ARG HA H 5.19 0.02 1 822 79 79 ARG HB2 H 1.76 0.02 2 823 79 79 ARG HB3 H 1.91 0.02 2 824 79 79 ARG HD2 H 3.20 0.02 2 825 79 79 ARG HD3 H 3.25 0.02 2 826 79 79 ARG HE H 7.37 0.02 1 827 79 79 ARG HG2 H 1.67 0.02 2 828 79 79 ARG HG3 H 1.79 0.02 2 829 79 79 ARG C C 174.6 0.2 1 830 79 79 ARG CA C 55.3 0.2 1 831 79 79 ARG CB C 32.3 0.2 1 832 79 79 ARG CD C 43.2 0.2 1 833 79 79 ARG CG C 28.5 0.2 1 834 79 79 ARG N N 126.3 0.2 1 835 79 79 ARG NE N 84.7 0.2 1 836 80 80 ALA H H 9.49 0.02 1 837 80 80 ALA HA H 5.69 0.02 1 838 80 80 ALA HB H 1.30 0.02 1 839 80 80 ALA C C 176.1 0.2 1 840 80 80 ALA CA C 50.6 0.2 1 841 80 80 ALA CB C 23.8 0.2 1 842 80 80 ALA N N 128.2 0.2 1 843 81 81 GLN H H 8.80 0.02 1 844 81 81 GLN HA H 5.51 0.02 1 845 81 81 GLN HB2 H 2.10 0.02 2 846 81 81 GLN HB3 H 2.24 0.02 2 847 81 81 GLN HE21 H 6.70 0.02 2 848 81 81 GLN HE22 H 7.56 0.02 2 849 81 81 GLN HG2 H 2.17 0.02 2 850 81 81 GLN HG3 H 2.39 0.02 2 851 81 81 GLN C C 175.7 0.2 1 852 81 81 GLN CA C 54.4 0.2 1 853 81 81 GLN CB C 32.3 0.2 1 854 81 81 GLN CD C 180.7 0.2 1 855 81 81 GLN CG C 32.7 0.2 1 856 81 81 GLN N N 116.7 0.2 1 857 81 81 GLN NE2 N 111.2 0.2 1 858 82 82 ARG H H 7.76 0.02 1 859 82 82 ARG HA H 4.78 0.02 1 860 82 82 ARG HB2 H 1.42 0.02 2 861 82 82 ARG HB3 H 1.55 0.02 2 862 82 82 ARG HD2 H 2.53 0.02 2 863 82 82 ARG HD3 H 2.63 0.02 2 864 82 82 ARG HE H 6.83 0.02 1 865 82 82 ARG HG2 H 1.46 0.02 2 866 82 82 ARG HG3 H 1.49 0.02 2 867 82 82 ARG C C 176.4 0.2 1 868 82 82 ARG CA C 56.9 0.2 1 869 82 82 ARG CB C 32.1 0.2 1 870 82 82 ARG CD C 43.1 0.2 1 871 82 82 ARG CG C 27.8 0.2 1 872 82 82 ARG N N 120.4 0.2 1 873 82 82 ARG NE N 82.3 0.2 1 874 83 83 VAL H H 8.97 0.02 1 875 83 83 VAL HA H 4.04 0.02 1 876 83 83 VAL HB H 1.75 0.02 1 877 83 83 VAL HG1 H 0.88 0.02 1 878 83 83 VAL HG2 H 0.82 0.02 1 879 83 83 VAL C C 176.8 0.2 1 880 83 83 VAL CA C 64.3 0.2 1 881 83 83 VAL CB C 32.6 0.2 1 882 83 83 VAL CG1 C 20.5 0.2 1 883 83 83 VAL CG2 C 21.1 0.2 1 884 83 83 VAL N N 125.5 0.2 1 885 84 84 GLU H H 7.44 0.02 1 886 84 84 GLU HA H 4.75 0.02 1 887 84 84 GLU HB2 H 2.29 0.02 2 888 84 84 GLU HB3 H 2.34 0.02 2 889 84 84 GLU C C 177.4 0.2 1 890 84 84 GLU CA C 55.3 0.2 1 891 84 84 GLU CB C 30.5 0.2 1 892 84 84 GLU N N 120.2 0.2 1 893 85 85 THR H H 8.55 0.02 1 894 85 85 THR HA H 3.63 0.02 1 895 85 85 THR HB H 4.45 0.02 1 896 85 85 THR HG2 H 1.10 0.02 1 897 85 85 THR C C 175.7 0.2 1 898 85 85 THR CA C 64.6 0.2 1 899 85 85 THR CB C 68.0 0.2 1 900 85 85 THR CG2 C 22.5 0.2 1 901 85 85 THR N N 116.0 0.2 1 902 86 86 GLY H H 8.78 0.02 1 903 86 86 GLY HA2 H 3.61 0.02 2 904 86 86 GLY HA3 H 4.04 0.02 2 905 86 86 GLY CA C 45.5 0.2 1 906 86 86 GLY N N 113.4 0.2 1 907 87 87 PRO HA H 4.53 0.02 1 908 87 87 PRO HB2 H 1.48 0.02 2 909 87 87 PRO HB3 H 1.90 0.02 2 910 87 87 PRO HD2 H 3.46 0.02 2 911 87 87 PRO HD3 H 3.73 0.02 2 912 87 87 PRO HG2 H 0.70 0.02 2 913 87 87 PRO HG3 H 1.47 0.02 2 914 87 87 PRO C C 174.9 0.2 1 915 87 87 PRO CA C 63.7 0.2 1 916 87 87 PRO CB C 31.2 0.2 1 917 87 87 PRO CD C 50.2 0.2 1 918 87 87 PRO CG C 25.0 0.2 1 919 88 88 PHE H H 7.92 0.02 1 920 88 88 PHE HA H 4.68 0.02 1 921 88 88 PHE HB2 H 2.81 0.02 2 922 88 88 PHE HB3 H 2.94 0.02 2 923 88 88 PHE HD1 H 7.22 0.02 3 924 88 88 PHE HE1 H 6.74 0.02 3 925 88 88 PHE HZ H 6.89 0.02 1 926 88 88 PHE C C 176.7 0.2 1 927 88 88 PHE CA C 57.6 0.2 1 928 88 88 PHE CB C 38.4 0.2 1 929 88 88 PHE CD1 C 131.4 0.2 3 930 88 88 PHE CE1 C 131.6 0.2 3 931 88 88 PHE CZ C 129.2 0.2 1 932 88 88 PHE N N 119.0 0.2 1 933 89 89 GLN H H 9.91 0.02 1 934 89 89 GLN HA H 4.22 0.02 1 935 89 89 GLN HB2 H 1.82 0.02 2 936 89 89 GLN HB3 H 2.32 0.02 2 937 89 89 GLN HE21 H 7.11 0.02 2 938 89 89 GLN HE22 H 7.48 0.02 2 939 89 89 GLN HG2 H 2.20 0.02 2 940 89 89 GLN HG3 H 2.48 0.02 2 941 89 89 GLN C C 176.7 0.2 1 942 89 89 GLN CA C 58.4 0.2 1 943 89 89 GLN CB C 30.1 0.2 1 944 89 89 GLN CD C 179.1 0.2 1 945 89 89 GLN CG C 34.0 0.2 1 946 89 89 GLN N N 121.7 0.2 1 947 89 89 GLN NE2 N 112.1 0.2 1 948 90 90 TYR H H 7.04 0.02 1 949 90 90 TYR HA H 4.69 0.02 1 950 90 90 TYR HB2 H 2.94 0.02 2 951 90 90 TYR HB3 H 3.30 0.02 2 952 90 90 TYR HD1 H 6.86 0.02 3 953 90 90 TYR HE1 H 6.57 0.02 3 954 90 90 TYR C C 172.9 0.2 1 955 90 90 TYR CA C 56.2 0.2 1 956 90 90 TYR CB C 39.6 0.2 1 957 90 90 TYR CD1 C 134.2 0.2 3 958 90 90 TYR CE1 C 117.7 0.2 3 959 90 90 TYR N N 109.6 0.2 1 960 91 91 MET H H 9.02 0.02 1 961 91 91 MET HA H 4.87 0.02 1 962 91 91 MET HB2 H 1.18 0.02 2 963 91 91 MET HB3 H 1.23 0.02 2 964 91 91 MET HE H 0.94 0.02 1 965 91 91 MET HG2 H 1.97 0.02 2 966 91 91 MET HG3 H 2.01 0.02 2 967 91 91 MET C C 172.1 0.2 1 968 91 91 MET CA C 56.2 0.2 1 969 91 91 MET CB C 33.1 0.2 1 970 91 91 MET CE C 17.6 0.2 1 971 91 91 MET CG C 32.4 0.2 1 972 91 91 MET N N 119.6 0.2 1 973 92 92 ASN H H 9.47 0.02 1 974 92 92 ASN HA H 5.57 0.02 1 975 92 92 ASN HB2 H 2.91 0.02 2 976 92 92 ASN HB3 H 2.96 0.02 2 977 92 92 ASN HD21 H 6.84 0.02 2 978 92 92 ASN HD22 H 7.43 0.02 2 979 92 92 ASN C C 174.2 0.2 1 980 92 92 ASN CA C 52.6 0.2 1 981 92 92 ASN CB C 41.6 0.2 1 982 92 92 ASN CG C 176.2 0.2 1 983 92 92 ASN N N 127.3 0.2 1 984 92 92 ASN ND2 N 112.3 0.2 1 985 93 93 ILE H H 9.09 0.02 1 986 93 93 ILE HA H 4.98 0.02 1 987 93 93 ILE HB H 1.51 0.02 1 988 93 93 ILE HD1 H 0.71 0.02 1 989 93 93 ILE HG12 H 0.85 0.02 2 990 93 93 ILE HG13 H 1.35 0.02 2 991 93 93 ILE HG2 H 0.73 0.02 1 992 93 93 ILE C C 175.2 0.2 1 993 93 93 ILE CA C 60.9 0.2 1 994 93 93 ILE CB C 41.9 0.2 1 995 93 93 ILE CD1 C 14.8 0.2 1 996 93 93 ILE CG1 C 28.0 0.2 1 997 93 93 ILE CG2 C 18.5 0.2 1 998 93 93 ILE N N 123.6 0.2 1 999 94 94 VAL H H 9.50 0.02 1 1000 94 94 VAL HA H 5.27 0.02 1 1001 94 94 VAL HB H 2.22 0.02 1 1002 94 94 VAL HG1 H 1.09 0.02 1 1003 94 94 VAL HG2 H 1.07 0.02 1 1004 94 94 VAL C C 175.9 0.2 1 1005 94 94 VAL CA C 61.3 0.2 1 1006 94 94 VAL CB C 35.2 0.2 1 1007 94 94 VAL CG1 C 21.3 0.2 1 1008 94 94 VAL CG2 C 22.1 0.2 1 1009 94 94 VAL N N 129.8 0.2 1 1010 95 95 TRP H H 9.70 0.02 1 1011 95 95 TRP HA H 6.45 0.02 1 1012 95 95 TRP HB2 H 2.99 0.02 2 1013 95 95 TRP HB3 H 3.47 0.02 2 1014 95 95 TRP HD1 H 6.72 0.02 1 1015 95 95 TRP HE1 H 8.57 0.02 1 1016 95 95 TRP HH2 H 6.87 0.02 1 1017 95 95 TRP HZ2 H 6.42 0.02 1 1018 95 95 TRP HZ3 H 6.58 0.02 1 1019 95 95 TRP C C 175.4 0.2 1 1020 95 95 TRP CA C 52.9 0.2 1 1021 95 95 TRP CB C 32.7 0.2 1 1022 95 95 TRP CD1 C 123.6 0.2 1 1023 95 95 TRP CH2 C 124.7 0.2 1 1024 95 95 TRP CZ2 C 113.5 0.2 1 1025 95 95 TRP CZ3 C 122.2 0.2 1 1026 95 95 TRP N N 127.7 0.2 1 1027 95 95 TRP NE1 N 126.7 0.2 1 1028 96 96 GLU H H 9.32 0.02 1 1029 96 96 GLU HA H 5.55 0.02 1 1030 96 96 GLU HB2 H 2.01 0.02 2 1031 96 96 GLU HB3 H 2.34 0.02 2 1032 96 96 GLU HG2 H 2.38 0.02 2 1033 96 96 GLU HG3 H 2.43 0.02 2 1034 96 96 GLU C C 174.9 0.2 1 1035 96 96 GLU CA C 55.4 0.2 1 1036 96 96 GLU CB C 35.0 0.2 1 1037 96 96 GLU CG C 37.4 0.2 1 1038 96 96 GLU N N 120.9 0.2 1 1039 97 97 TYR H H 8.28 0.02 1 1040 97 97 TYR HA H 5.88 0.02 1 1041 97 97 TYR HB2 H 2.72 0.02 2 1042 97 97 TYR HB3 H 3.10 0.02 2 1043 97 97 TYR HD1 H 7.36 0.02 3 1044 97 97 TYR HE1 H 6.76 0.02 3 1045 97 97 TYR C C 175.2 0.2 1 1046 97 97 TYR CA C 56.1 0.2 1 1047 97 97 TYR CB C 42.2 0.2 1 1048 97 97 TYR CD1 C 133.0 0.2 3 1049 97 97 TYR CE1 C 117.8 0.2 3 1050 97 97 TYR N N 119.3 0.2 1 1051 98 98 ALA H H 9.12 0.02 1 1052 98 98 ALA HA H 4.73 0.02 1 1053 98 98 ALA HB H 1.41 0.02 1 1054 98 98 ALA C C 175.4 0.2 1 1055 98 98 ALA CA C 51.6 0.2 1 1056 98 98 ALA CB C 22.3 0.2 1 1057 98 98 ALA N N 124.0 0.2 1 1058 99 99 GLU H H 8.97 0.02 1 1059 99 99 GLU HA H 4.91 0.02 1 1060 99 99 GLU HB2 H 2.00 0.02 2 1061 99 99 GLU HB3 H 2.11 0.02 2 1062 99 99 GLU HG2 H 2.31 0.02 2 1063 99 99 GLU HG3 H 2.41 0.02 2 1064 99 99 GLU C C 176.2 0.2 1 1065 99 99 GLU CA C 56.4 0.2 1 1066 99 99 GLU CB C 31.7 0.2 1 1067 99 99 GLU CG C 37.6 0.2 1 1068 99 99 GLU N N 122.1 0.2 1 1069 100 100 THR H H 8.64 0.02 1 1070 100 100 THR HA H 4.85 0.02 1 1071 100 100 THR HB H 4.49 0.02 1 1072 100 100 THR HG2 H 1.12 0.02 1 1073 100 100 THR C C 175.0 0.2 1 1074 100 100 THR CA C 59.7 0.2 1 1075 100 100 THR CB C 72.4 0.2 1 1076 100 100 THR CG2 C 21.7 0.2 1 1077 100 100 THR N N 116.7 0.2 1 1078 101 101 ALA H H 8.80 0.02 1 1079 101 101 ALA HA H 4.13 0.02 1 1080 101 101 ALA HB H 1.43 0.02 1 1081 101 101 ALA C C 179.0 0.2 1 1082 101 101 ALA CA C 55.1 0.2 1 1083 101 101 ALA CB C 18.6 0.2 1 1084 101 101 ALA N N 122.5 0.2 1 1085 102 102 GLU H H 7.93 0.02 1 1086 102 102 GLU HA H 4.24 0.02 1 1087 102 102 GLU HB2 H 1.71 0.02 2 1088 102 102 GLU HB3 H 2.06 0.02 2 1089 102 102 GLU HG2 H 2.14 0.02 2 1090 102 102 GLU HG3 H 2.22 0.02 2 1091 102 102 GLU C C 175.8 0.2 1 1092 102 102 GLU CA C 56.7 0.2 1 1093 102 102 GLU CB C 30.6 0.2 1 1094 102 102 GLU CG C 36.7 0.2 1 1095 102 102 GLU N N 113.2 0.2 1 1096 103 103 GLY H H 7.40 0.02 1 1097 103 103 GLY HA2 H 3.80 0.02 2 1098 103 103 GLY HA3 H 4.51 0.02 2 1099 103 103 GLY C C 172.7 0.2 1 1100 103 103 GLY CA C 45.6 0.2 1 1101 103 103 GLY N N 107.5 0.2 1 1102 104 104 THR H H 9.41 0.02 1 1103 104 104 THR HA H 5.03 0.02 1 1104 104 104 THR HB H 4.06 0.02 1 1105 104 104 THR HG2 H 1.33 0.02 1 1106 104 104 THR C C 173.6 0.2 1 1107 104 104 THR CA C 63.0 0.2 1 1108 104 104 THR CB C 71.2 0.2 1 1109 104 104 THR CG2 C 21.9 0.2 1 1110 104 104 THR N N 121.3 0.2 1 1111 105 105 VAL H H 9.63 0.02 1 1112 105 105 VAL HA H 4.71 0.02 1 1113 105 105 VAL HB H 1.88 0.02 1 1114 105 105 VAL HG1 H 0.69 0.02 1 1115 105 105 VAL HG2 H 0.89 0.02 1 1116 105 105 VAL C C 174.8 0.2 1 1117 105 105 VAL CA C 61.4 0.2 1 1118 105 105 VAL CB C 33.1 0.2 1 1119 105 105 VAL CG1 C 20.9 0.2 1 1120 105 105 VAL CG2 C 21.8 0.2 1 1121 105 105 VAL N N 128.7 0.2 1 1122 106 106 MET H H 8.82 0.02 1 1123 106 106 MET HA H 4.89 0.02 1 1124 106 106 MET HB2 H 1.15 0.02 2 1125 106 106 MET HB3 H 1.69 0.02 2 1126 106 106 MET HE H 0.69 0.02 1 1127 106 106 MET HG2 H 1.37 0.02 2 1128 106 106 MET HG3 H 1.46 0.02 2 1129 106 106 MET C C 172.3 0.2 1 1130 106 106 MET CA C 53.8 0.2 1 1131 106 106 MET CB C 36.2 0.2 1 1132 106 106 MET CE C 17.8 0.2 1 1133 106 106 MET CG C 30.4 0.2 1 1134 106 106 MET N N 128.7 0.2 1 1135 107 107 ARG H H 9.09 0.02 1 1136 107 107 ARG HA H 5.02 0.02 1 1137 107 107 ARG HB2 H 1.56 0.02 2 1138 107 107 ARG HB3 H 1.78 0.02 2 1139 107 107 ARG HD2 H 3.04 0.02 2 1140 107 107 ARG HD3 H 3.20 0.02 2 1141 107 107 ARG HE H 7.73 0.02 1 1142 107 107 ARG HG2 H 1.52 0.02 2 1143 107 107 ARG HG3 H 1.59 0.02 2 1144 107 107 ARG C C 175.1 0.2 1 1145 107 107 ARG CA C 54.0 0.2 1 1146 107 107 ARG CB C 34.5 0.2 1 1147 107 107 ARG CD C 43.7 0.2 1 1148 107 107 ARG CG C 26.9 0.2 1 1149 107 107 ARG N N 127.8 0.2 1 1150 107 107 ARG NE N 84.5 0.2 1 1151 108 108 TRP H H 9.41 0.02 1 1152 108 108 TRP HA H 5.92 0.02 1 1153 108 108 TRP HB2 H 2.98 0.02 2 1154 108 108 TRP HB3 H 3.23 0.02 2 1155 108 108 TRP HD1 H 6.22 0.02 1 1156 108 108 TRP HE1 H 6.94 0.02 1 1157 108 108 TRP HH2 H 6.63 0.02 1 1158 108 108 TRP HZ2 H 6.13 0.02 1 1159 108 108 TRP C C 176.6 0.2 1 1160 108 108 TRP CA C 53.8 0.2 1 1161 108 108 TRP CB C 33.2 0.2 1 1162 108 108 TRP CD1 C 122.8 0.2 1 1163 108 108 TRP CH2 C 123.8 0.2 1 1164 108 108 TRP CZ2 C 112.9 0.2 1 1165 108 108 TRP N N 126.5 0.2 1 1166 108 108 TRP NE1 N 121.2 0.2 1 1167 109 109 THR H H 9.91 0.02 1 1168 109 109 THR HA H 5.43 0.02 1 1169 109 109 THR HB H 4.09 0.02 1 1170 109 109 THR HG2 H 1.32 0.02 1 1171 109 109 THR C C 174.1 0.2 1 1172 109 109 THR CA C 61.0 0.2 1 1173 109 109 THR CB C 71.2 0.2 1 1174 109 109 THR CG2 C 21.9 0.2 1 1175 109 109 THR N N 122.6 0.2 1 1176 110 110 GLN H H 8.54 0.02 1 1177 110 110 GLN HA H 5.57 0.02 1 1178 110 110 GLN HB2 H 1.91 0.02 2 1179 110 110 GLN HB3 H 2.49 0.02 2 1180 110 110 GLN HE21 H 7.01 0.02 2 1181 110 110 GLN HE22 H 7.04 0.02 2 1182 110 110 GLN HG2 H 2.18 0.02 2 1183 110 110 GLN HG3 H 2.37 0.02 2 1184 110 110 GLN C C 173.5 0.2 1 1185 110 110 GLN CA C 55.1 0.2 1 1186 110 110 GLN CB C 30.7 0.2 1 1187 110 110 GLN CD C 178.9 0.2 1 1188 110 110 GLN CG C 35.8 0.2 1 1189 110 110 GLN N N 122.4 0.2 1 1190 110 110 GLN NE2 N 110.3 0.2 1 1191 111 111 ASP H H 8.98 0.02 1 1192 111 111 ASP HA H 5.61 0.02 1 1193 111 111 ASP HB2 H 2.68 0.02 2 1194 111 111 ASP HB3 H 2.92 0.02 2 1195 111 111 ASP C C 173.5 0.2 1 1196 111 111 ASP CA C 54.8 0.2 1 1197 111 111 ASP CB C 45.7 0.2 1 1198 111 111 ASP N N 121.4 0.2 1 1199 112 112 PHE H H 7.81 0.02 1 1200 112 112 PHE HA H 4.87 0.02 1 1201 112 112 PHE HB2 H 3.05 0.02 2 1202 112 112 PHE HB3 H 3.41 0.02 2 1203 112 112 PHE HD1 H 6.75 0.02 3 1204 112 112 PHE C C 172.4 0.2 1 1205 112 112 PHE CA C 56.3 0.2 1 1206 112 112 PHE CB C 42.6 0.2 1 1207 112 112 PHE N N 117.7 0.2 1 1208 113 113 ALA H H 6.75 0.02 1 1209 113 113 ALA HA H 4.72 0.02 1 1210 113 113 ALA HB H 1.31 0.02 1 1211 113 113 ALA C C 177.2 0.2 1 1212 113 113 ALA CA C 51.4 0.2 1 1213 113 113 ALA CB C 22.0 0.2 1 1214 113 113 ALA N N 115.3 0.2 1 1215 114 114 MET H H 10.80 0.02 1 1216 114 114 MET HA H 4.88 0.02 1 1217 114 114 MET HB2 H 1.99 0.02 2 1218 114 114 MET HB3 H 2.04 0.02 2 1219 114 114 MET HE H 1.05 0.02 1 1220 114 114 MET HG2 H 2.61 0.02 2 1221 114 114 MET HG3 H 3.01 0.02 2 1222 114 114 MET C C 179.5 0.2 1 1223 114 114 MET CA C 53.9 0.2 1 1224 114 114 MET CB C 30.0 0.2 1 1225 114 114 MET CE C 13.3 0.2 1 1226 114 114 MET CG C 29.5 0.2 1 1227 114 114 MET N N 124.6 0.2 1 1228 115 115 LYS H H 8.92 0.02 1 1229 115 115 LYS HA H 4.26 0.02 1 1230 115 115 LYS HB2 H 1.62 0.02 2 1231 115 115 LYS HB3 H 1.98 0.02 2 1232 115 115 LYS CA C 57.2 0.2 1 1233 115 115 LYS CB C 32.5 0.2 1 1234 115 115 LYS N N 123.5 0.2 1 1235 116 116 PRO HA H 4.37 0.02 1 1236 116 116 PRO HB2 H 1.97 0.02 2 1237 116 116 PRO HB3 H 2.38 0.02 2 1238 116 116 PRO HD2 H 3.73 0.02 2 1239 116 116 PRO HD3 H 3.78 0.02 2 1240 116 116 PRO C C 176.3 0.2 1 1241 116 116 PRO CA C 64.7 0.2 1 1242 116 116 PRO CB C 31.7 0.2 1 1243 116 116 PRO CD C 50.4 0.2 1 1244 116 116 PRO CG C 27.4 0.2 1 1245 117 117 ASP H H 8.10 0.02 1 1246 117 117 ASP HA H 4.57 0.02 1 1247 117 117 ASP HB2 H 2.52 0.02 2 1248 117 117 ASP HB3 H 2.82 0.02 2 1249 117 117 ASP C C 176.0 0.2 1 1250 117 117 ASP CA C 52.4 0.2 1 1251 117 117 ASP CB C 39.4 0.2 1 1252 117 117 ASP N N 112.9 0.2 1 1253 118 118 ALA H H 7.41 0.02 1 1254 118 118 ALA HA H 4.41 0.02 1 1255 118 118 ALA HB H 1.54 0.02 1 1256 118 118 ALA CA C 51.1 0.2 1 1257 118 118 ALA CB C 19.1 0.2 1 1258 118 118 ALA N N 122.9 0.2 1 1259 119 119 PRO HA H 4.31 0.02 1 1260 119 119 PRO HB2 H 1.82 0.02 2 1261 119 119 PRO HB3 H 2.16 0.02 2 1262 119 119 PRO HD2 H 3.38 0.02 2 1263 119 119 PRO HD3 H 3.71 0.02 2 1264 119 119 PRO HG2 H 1.73 0.02 2 1265 119 119 PRO HG3 H 1.97 0.02 2 1266 119 119 PRO C C 175.5 0.2 1 1267 119 119 PRO CA C 64.1 0.2 1 1268 119 119 PRO CB C 31.9 0.2 1 1269 119 119 PRO CD C 49.9 0.2 1 1270 119 119 PRO CG C 27.0 0.2 1 1271 120 120 VAL H H 6.49 0.02 1 1272 120 120 VAL HA H 4.37 0.02 1 1273 120 120 VAL HB H 1.72 0.02 1 1274 120 120 VAL HG1 H -0.45 0.02 1 1275 120 120 VAL HG2 H 0.47 0.02 1 1276 120 120 VAL C C 173.6 0.2 1 1277 120 120 VAL CA C 57.8 0.2 1 1278 120 120 VAL CB C 35.4 0.2 1 1279 120 120 VAL CG1 C 19.9 0.2 1 1280 120 120 VAL CG2 C 17.9 0.2 1 1281 120 120 VAL N N 107.9 0.2 1 1282 121 121 ASP H H 7.64 0.02 1 1283 121 121 ASP HA H 4.79 0.02 1 1284 121 121 ASP HB2 H 2.69 0.02 2 1285 121 121 ASP HB3 H 3.25 0.02 2 1286 121 121 ASP C C 176.5 0.2 1 1287 121 121 ASP CA C 51.2 0.2 1 1288 121 121 ASP CB C 43.1 0.2 1 1289 121 121 ASP N N 118.1 0.2 1 1290 122 122 ASP H H 8.35 0.02 1 1291 122 122 ASP HA H 4.49 0.02 1 1292 122 122 ASP HB2 H 2.34 0.02 2 1293 122 122 ASP HB3 H 2.55 0.02 2 1294 122 122 ASP C C 179.5 0.2 1 1295 122 122 ASP CA C 58.8 0.2 1 1296 122 122 ASP CB C 40.6 0.2 1 1297 122 122 ASP N N 117.1 0.2 1 1298 123 123 ALA H H 8.38 0.02 1 1299 123 123 ALA HA H 4.21 0.02 1 1300 123 123 ALA HB H 1.58 0.02 1 1301 123 123 ALA C C 180.3 0.2 1 1302 123 123 ALA CA C 56.0 0.2 1 1303 123 123 ALA CB C 18.2 0.2 1 1304 123 123 ALA N N 125.9 0.2 1 1305 124 124 TRP H H 8.65 0.02 1 1306 124 124 TRP HA H 4.12 0.02 1 1307 124 124 TRP HB2 H 3.51 0.02 2 1308 124 124 TRP HB3 H 3.55 0.02 2 1309 124 124 TRP HD1 H 7.35 0.02 1 1310 124 124 TRP HE1 H 10.12 0.02 1 1311 124 124 TRP HH2 H 7.05 0.02 1 1312 124 124 TRP HZ2 H 7.43 0.02 1 1313 124 124 TRP C C 180.7 0.2 1 1314 124 124 TRP CA C 62.0 0.2 1 1315 124 124 TRP CB C 30.6 0.2 1 1316 124 124 TRP CD1 C 128.2 0.2 1 1317 124 124 TRP CH2 C 124.3 0.2 1 1318 124 124 TRP CZ2 C 114.7 0.2 1 1319 124 124 TRP N N 122.5 0.2 1 1320 124 124 TRP NE1 N 129.6 0.2 1 1321 125 125 MET H H 8.93 0.02 1 1322 125 125 MET HA H 4.62 0.02 1 1323 125 125 MET HB2 H 2.26 0.02 2 1324 125 125 MET HB3 H 2.30 0.02 2 1325 125 125 MET HE H 1.90 0.02 1 1326 125 125 MET HG2 H 2.02 0.02 2 1327 125 125 MET HG3 H 2.67 0.02 2 1328 125 125 MET C C 177.5 0.2 1 1329 125 125 MET CA C 56.6 0.2 1 1330 125 125 MET CB C 30.6 0.2 1 1331 125 125 MET CE C 16.2 0.2 1 1332 125 125 MET CG C 31.8 0.2 1 1333 125 125 MET N N 118.2 0.2 1 1334 126 126 THR H H 8.79 0.02 1 1335 126 126 THR HA H 3.79 0.02 1 1336 126 126 THR HB H 4.52 0.02 1 1337 126 126 THR HG1 H 5.30 0.02 1 1338 126 126 THR HG2 H 1.36 0.02 1 1339 126 126 THR C C 175.0 0.2 1 1340 126 126 THR CA C 68.1 0.2 1 1341 126 126 THR CB C 69.1 0.2 1 1342 126 126 THR CG2 C 21.2 0.2 1 1343 126 126 THR N N 119.1 0.2 1 1344 127 127 ASP H H 7.24 0.02 1 1345 127 127 ASP HA H 4.41 0.02 1 1346 127 127 ASP HB2 H 2.51 0.02 2 1347 127 127 ASP HB3 H 2.66 0.02 2 1348 127 127 ASP C C 177.8 0.2 1 1349 127 127 ASP CA C 57.6 0.2 1 1350 127 127 ASP CB C 41.0 0.2 1 1351 127 127 ASP N N 120.0 0.2 1 1352 128 128 ASN H H 7.91 0.02 1 1353 128 128 ASN HA H 3.93 0.02 1 1354 128 128 ASN HB2 H 1.62 0.02 2 1355 128 128 ASN HB3 H 2.52 0.02 2 1356 128 128 ASN HD21 H 6.57 0.02 2 1357 128 128 ASN HD22 H 7.02 0.02 2 1358 128 128 ASN C C 177.2 0.2 1 1359 128 128 ASN CA C 57.6 0.2 1 1360 128 128 ASN CB C 40.6 0.2 1 1361 128 128 ASN CG C 175.2 0.2 1 1362 128 128 ASN N N 118.5 0.2 1 1363 128 128 ASN ND2 N 113.7 0.2 1 1364 129 129 ILE H H 8.93 0.02 1 1365 129 129 ILE HA H 3.72 0.02 1 1366 129 129 ILE HB H 1.71 0.02 1 1367 129 129 ILE HD1 H 0.12 0.02 1 1368 129 129 ILE HG12 H 0.82 0.02 2 1369 129 129 ILE HG13 H 1.57 0.02 2 1370 129 129 ILE HG2 H 0.70 0.02 1 1371 129 129 ILE C C 180.6 0.2 1 1372 129 129 ILE CA C 65.5 0.2 1 1373 129 129 ILE CB C 37.4 0.2 1 1374 129 129 ILE CD1 C 14.2 0.2 1 1375 129 129 ILE CG1 C 29.8 0.2 1 1376 129 129 ILE CG2 C 18.3 0.2 1 1377 129 129 ILE N N 119.4 0.2 1 1378 130 130 ASN H H 8.67 0.02 1 1379 130 130 ASN HA H 4.51 0.02 1 1380 130 130 ASN HB2 H 2.77 0.02 2 1381 130 130 ASN HB3 H 3.03 0.02 2 1382 130 130 ASN HD21 H 7.02 0.02 2 1383 130 130 ASN HD22 H 7.76 0.02 2 1384 130 130 ASN C C 177.0 0.2 1 1385 130 130 ASN CA C 57.6 0.2 1 1386 130 130 ASN CB C 38.1 0.2 1 1387 130 130 ASN CG C 175.7 0.2 1 1388 130 130 ASN N N 122.9 0.2 1 1389 130 130 ASN ND2 N 112.6 0.2 1 1390 131 131 ARG H H 8.03 0.02 1 1391 131 131 ARG HA H 4.48 0.02 1 1392 131 131 ARG HB2 H 1.81 0.02 2 1393 131 131 ARG HB3 H 1.86 0.02 2 1394 131 131 ARG HG2 H 1.54 0.02 2 1395 131 131 ARG HG3 H 1.71 0.02 2 1396 131 131 ARG C C 179.6 0.2 1 1397 131 131 ARG CA C 60.1 0.2 1 1398 131 131 ARG CB C 30.0 0.2 1 1399 131 131 ARG CD C 43.2 0.2 1 1400 131 131 ARG CG C 27.8 0.2 1 1401 131 131 ARG N N 118.5 0.2 1 1402 132 132 ASN H H 8.42 0.02 1 1403 132 132 ASN HA H 4.50 0.02 1 1404 132 132 ASN HB2 H 2.75 0.02 2 1405 132 132 ASN HB3 H 2.84 0.02 2 1406 132 132 ASN HD21 H 7.02 0.02 2 1407 132 132 ASN HD22 H 7.47 0.02 2 1408 132 132 ASN C C 178.0 0.2 1 1409 132 132 ASN CA C 56.5 0.2 1 1410 132 132 ASN CB C 38.6 0.2 1 1411 132 132 ASN CG C 176.3 0.2 1 1412 132 132 ASN N N 117.3 0.2 1 1413 132 132 ASN ND2 N 114.4 0.2 1 1414 133 133 SER H H 9.03 0.02 1 1415 133 133 SER HA H 4.39 0.02 1 1416 133 133 SER HB2 H 3.81 0.02 2 1417 133 133 SER HB3 H 4.14 0.02 2 1418 133 133 SER C C 175.2 0.2 1 1419 133 133 SER CA C 63.2 0.2 1 1420 133 133 SER CB C 62.9 0.2 1 1421 133 133 SER N N 116.5 0.2 1 1422 134 134 ARG H H 7.80 0.02 1 1423 134 134 ARG HA H 3.78 0.02 1 1424 134 134 ARG HB2 H 1.83 0.02 2 1425 134 134 ARG HB3 H 1.88 0.02 2 1426 134 134 ARG C C 179.6 0.2 1 1427 134 134 ARG CA C 60.3 0.2 1 1428 134 134 ARG CB C 29.8 0.2 1 1429 134 134 ARG CD C 43.6 0.2 1 1430 134 134 ARG CG C 27.6 0.2 1 1431 134 134 ARG N N 120.7 0.2 1 1432 135 135 THR H H 7.51 0.02 1 1433 135 135 THR HA H 3.89 0.02 1 1434 135 135 THR HB H 4.29 0.02 1 1435 135 135 THR HG2 H 1.18 0.02 1 1436 135 135 THR C C 177.0 0.2 1 1437 135 135 THR CA C 66.4 0.2 1 1438 135 135 THR CB C 68.8 0.2 1 1439 135 135 THR CG2 C 22.0 0.2 1 1440 135 135 THR N N 115.4 0.2 1 1441 136 136 GLN H H 8.59 0.02 1 1442 136 136 GLN HA H 4.00 0.02 1 1443 136 136 GLN HB2 H 1.99 0.02 2 1444 136 136 GLN HB3 H 2.13 0.02 2 1445 136 136 GLN HE21 H 6.95 0.02 2 1446 136 136 GLN HE22 H 7.34 0.02 2 1447 136 136 GLN HG2 H 2.65 0.02 2 1448 136 136 GLN HG3 H 2.71 0.02 2 1449 136 136 GLN C C 178.8 0.2 1 1450 136 136 GLN CA C 58.7 0.2 1 1451 136 136 GLN CB C 28.8 0.2 1 1452 136 136 GLN CD C 179.0 0.2 1 1453 136 136 GLN CG C 33.8 0.2 1 1454 136 136 GLN N N 120.4 0.2 1 1455 136 136 GLN NE2 N 111.5 0.2 1 1456 137 137 MET H H 8.64 0.02 1 1457 137 137 MET HA H 2.99 0.02 1 1458 137 137 MET HB2 H 1.24 0.02 2 1459 137 137 MET HB3 H 1.95 0.02 2 1460 137 137 MET HE H 1.20 0.02 1 1461 137 137 MET HG2 H -0.42 0.02 2 1462 137 137 MET HG3 H 1.93 0.02 2 1463 137 137 MET C C 176.8 0.2 1 1464 137 137 MET CA C 60.6 0.2 1 1465 137 137 MET CB C 33.6 0.2 1 1466 137 137 MET CE C 15.2 0.2 1 1467 137 137 MET CG C 34.2 0.2 1 1468 137 137 MET N N 116.6 0.2 1 1469 138 138 ALA H H 7.01 0.02 1 1470 138 138 ALA HA H 3.74 0.02 1 1471 138 138 ALA HB H 1.40 0.02 1 1472 138 138 ALA C C 178.6 0.2 1 1473 138 138 ALA CA C 55.2 0.2 1 1474 138 138 ALA CB C 17.9 0.2 1 1475 138 138 ALA N N 119.8 0.2 1 1476 139 139 LEU H H 7.22 0.02 1 1477 139 139 LEU HA H 4.09 0.02 1 1478 139 139 LEU HB2 H 1.67 0.02 2 1479 139 139 LEU HB3 H 1.73 0.02 2 1480 139 139 LEU HD1 H 0.87 0.02 1 1481 139 139 LEU HD2 H 0.90 0.02 1 1482 139 139 LEU HG H 1.62 0.02 1 1483 139 139 LEU C C 179.3 0.2 1 1484 139 139 LEU CA C 57.9 0.2 1 1485 139 139 LEU CB C 41.9 0.2 1 1486 139 139 LEU CD1 C 24.4 0.2 1 1487 139 139 LEU CD2 C 24.7 0.2 1 1488 139 139 LEU CG C 26.6 0.2 1 1489 139 139 LEU N N 119.1 0.2 1 1490 140 140 ILE H H 7.98 0.02 1 1491 140 140 ILE HA H 3.32 0.02 1 1492 140 140 ILE HB H 1.46 0.02 1 1493 140 140 ILE HD1 H 0.01 0.02 1 1494 140 140 ILE HG12 H 0.43 0.02 2 1495 140 140 ILE HG13 H 1.45 0.02 2 1496 140 140 ILE HG2 H 0.54 0.02 1 1497 140 140 ILE C C 177.3 0.2 1 1498 140 140 ILE CA C 65.8 0.2 1 1499 140 140 ILE CB C 37.9 0.2 1 1500 140 140 ILE CD1 C 13.7 0.2 1 1501 140 140 ILE CG1 C 30.0 0.2 1 1502 140 140 ILE CG2 C 17.8 0.2 1 1503 140 140 ILE N N 119.2 0.2 1 1504 141 141 ARG H H 8.14 0.02 1 1505 141 141 ARG HA H 3.65 0.02 1 1506 141 141 ARG HB2 H 1.50 0.02 2 1507 141 141 ARG HB3 H 2.26 0.02 2 1508 141 141 ARG HD2 H 3.07 0.02 2 1509 141 141 ARG HD3 H 3.25 0.02 2 1510 141 141 ARG HE H 7.01 0.02 1 1511 141 141 ARG HG2 H 1.33 0.02 2 1512 141 141 ARG HG3 H 1.86 0.02 2 1513 141 141 ARG C C 177.4 0.2 1 1514 141 141 ARG CA C 59.9 0.2 1 1515 141 141 ARG CB C 28.4 0.2 1 1516 141 141 ARG CD C 43.4 0.2 1 1517 141 141 ARG CG C 25.9 0.2 1 1518 141 141 ARG N N 119.5 0.2 1 1519 141 141 ARG NE N 84.1 0.2 1 1520 142 142 ASP H H 8.07 0.02 1 1521 142 142 ASP HA H 4.55 0.02 1 1522 142 142 ASP HB2 H 3.01 0.02 2 1523 142 142 ASP HB3 H 3.08 0.02 2 1524 142 142 ASP C C 179.4 0.2 1 1525 142 142 ASP CA C 57.9 0.2 1 1526 142 142 ASP CB C 39.7 0.2 1 1527 142 142 ASP N N 119.0 0.2 1 1528 143 143 ARG H H 8.34 0.02 1 1529 143 143 ARG HA H 4.08 0.02 1 1530 143 143 ARG HB2 H 1.80 0.02 2 1531 143 143 ARG HB3 H 1.96 0.02 2 1532 143 143 ARG HD2 H 3.19 0.02 2 1533 143 143 ARG HD3 H 3.28 0.02 2 1534 143 143 ARG HE H 7.19 0.02 1 1535 143 143 ARG C C 180.0 0.2 1 1536 143 143 ARG CA C 59.1 0.2 1 1537 143 143 ARG CB C 29.8 0.2 1 1538 143 143 ARG CD C 43.0 0.2 1 1539 143 143 ARG CG C 27.9 0.2 1 1540 143 143 ARG N N 119.6 0.2 1 1541 143 143 ARG NE N 85.3 0.2 1 1542 144 144 ILE H H 8.77 0.02 1 1543 144 144 ILE HA H 3.70 0.02 1 1544 144 144 ILE HB H 1.72 0.02 1 1545 144 144 ILE HD1 H 0.82 0.02 1 1546 144 144 ILE HG12 H 1.31 0.02 2 1547 144 144 ILE HG13 H 2.00 0.02 2 1548 144 144 ILE HG2 H 0.79 0.02 1 1549 144 144 ILE C C 177.8 0.2 1 1550 144 144 ILE CA C 65.7 0.2 1 1551 144 144 ILE CB C 37.5 0.2 1 1552 144 144 ILE CD1 C 16.2 0.2 1 1553 144 144 ILE CG1 C 27.7 0.2 1 1554 144 144 ILE CG2 C 17.6 0.2 1 1555 144 144 ILE N N 121.3 0.2 1 1556 145 145 GLU H H 8.82 0.02 1 1557 145 145 GLU HA H 3.80 0.02 1 1558 145 145 GLU HB2 H 2.02 0.02 2 1559 145 145 GLU HB3 H 2.09 0.02 2 1560 145 145 GLU HG2 H 2.06 0.02 2 1561 145 145 GLU HG3 H 2.71 0.02 2 1562 145 145 GLU C C 180.3 0.2 1 1563 145 145 GLU CA C 60.9 0.2 1 1564 145 145 GLU CB C 28.7 0.2 1 1565 145 145 GLU CG C 38.4 0.2 1 1566 145 145 GLU N N 119.4 0.2 1 1567 146 146 GLN H H 7.96 0.02 1 1568 146 146 GLN HA H 4.10 0.02 1 1569 146 146 GLN HB2 H 2.16 0.02 2 1570 146 146 GLN HB3 H 2.19 0.02 2 1571 146 146 GLN HE21 H 6.80 0.02 2 1572 146 146 GLN HE22 H 7.63 0.02 2 1573 146 146 GLN HG2 H 2.36 0.02 2 1574 146 146 GLN HG3 H 2.53 0.02 2 1575 146 146 GLN C C 178.6 0.2 1 1576 146 146 GLN CA C 59.0 0.2 1 1577 146 146 GLN CB C 28.1 0.2 1 1578 146 146 GLN CD C 180.2 0.2 1 1579 146 146 GLN CG C 33.5 0.2 1 1580 146 146 GLN N N 119.2 0.2 1 1581 146 146 GLN NE2 N 112.0 0.2 1 1582 147 147 ALA H H 7.67 0.02 1 1583 147 147 ALA HA H 4.21 0.02 1 1584 147 147 ALA HB H 1.55 0.02 1 1585 147 147 ALA C C 180.1 0.2 1 1586 147 147 ALA CA C 54.9 0.2 1 1587 147 147 ALA CB C 18.5 0.2 1 1588 147 147 ALA N N 122.7 0.2 1 1589 148 148 ALA H H 8.59 0.02 1 1590 148 148 ALA HA H 4.03 0.02 1 1591 148 148 ALA HB H 1.56 0.02 1 1592 148 148 ALA C C 179.8 0.2 1 1593 148 148 ALA CA C 54.6 0.2 1 1594 148 148 ALA CB C 18.5 0.2 1 1595 148 148 ALA N N 120.6 0.2 1 1596 149 149 GLY H H 7.88 0.02 1 1597 149 149 GLY HA2 H 3.97 0.02 2 1598 149 149 GLY HA3 H 4.01 0.02 2 1599 149 149 GLY C C 175.4 0.2 1 1600 149 149 GLY CA C 46.3 0.2 1 1601 149 149 GLY N N 105.4 0.2 1 1602 150 150 GLU H H 7.97 0.02 1 1603 150 150 GLU HA H 4.22 0.02 1 1604 150 150 GLU HB2 H 2.08 0.02 2 1605 150 150 GLU HB3 H 2.12 0.02 2 1606 150 150 GLU HG2 H 2.27 0.02 2 1607 150 150 GLU HG3 H 2.41 0.02 2 1608 150 150 GLU CA C 57.7 0.2 1 1609 150 150 GLU CB C 30.0 0.2 1 1610 150 150 GLU N N 121.2 0.2 1 1611 151 151 ARG H H 8.08 0.02 1 1612 151 151 ARG N N 120.0 0.2 1 1613 152 152 ARG C C 177.2 0.2 1 1614 152 152 ARG CA C 57.4 0.2 1 1615 152 152 ARG CB C 30.6 0.2 1 1616 153 153 THR H H 8.12 0.02 1 1617 153 153 THR C C 174.8 0.2 1 1618 153 153 THR CA C 63.0 0.2 1 1619 153 153 THR CB C 69.6 0.2 1 1620 153 153 THR CG2 C 21.7 0.2 1 1621 153 153 THR N N 115.1 0.2 1 1622 154 154 ALA H H 8.24 0.02 1 1623 154 154 ALA C C 178.5 0.2 1 1624 154 154 ALA CA C 53.6 0.2 1 1625 154 154 ALA CB C 19.2 0.2 1 1626 154 154 ALA N N 125.2 0.2 1 1627 155 155 SER H H 8.22 0.02 1 1628 155 155 SER CA C 59.3 0.2 1 1629 155 155 SER CB C 63.6 0.2 1 1630 155 155 SER N N 115.0 0.2 1 1631 158 158 ALA C C 178.1 0.2 1 1632 158 158 ALA CA C 53.1 0.2 1 1633 158 158 ALA CB C 19.0 0.2 1 1634 159 159 ASP H H 8.10 0.02 1 1635 159 159 ASP C C 177.0 0.2 1 1636 159 159 ASP CA C 54.8 0.2 1 1637 159 159 ASP CB C 41.0 0.2 1 1638 159 159 ASP N N 118.8 0.2 1 1639 160 160 LEU H H 8.07 0.02 1 1640 160 160 LEU CA C 56.3 0.2 1 1641 160 160 LEU CB C 42.1 0.2 1 1642 160 160 LEU N N 121.6 0.2 1 1643 161 161 GLU C C 173.9 0.2 1 1644 161 161 GLU CA C 55.9 0.2 1 1645 161 161 GLU CB C 30.0 0.2 1 1646 162 162 HIS H H 8.18 0.02 1 1647 162 162 HIS CA C 57.4 0.2 1 1648 162 162 HIS CB C 30.2 0.2 1 1649 162 162 HIS N N 125.2 0.2 1 stop_ save_