data_16811 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Bacillus anthracis Sortase A (SrtA) Transpeptidase ; _BMRB_accession_number 16811 _BMRB_flat_file_name bmr16811.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Weiner Ethan M. . 2 Robson Scott A. . 3 Marohn Melanie . . 4 Clubb Robert T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 780 "13C chemical shifts" 592 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-05-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Sortase A enzyme that attaches proteins to the cell wall of Bacillus anthracis contains an unusual active site architecture.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20489200 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weiner Ethan M. . 2 Robson Scott . . 3 Marohn Melanie . . 4 Clubb Robert T. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23433 _Page_last 23443 _Year 2010 _Details . loop_ _Keyword Sortase SrtA transpeptidase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SrtA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SrtA $SrtA 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_SrtA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SrtA _Molecular_mass 17110.521 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; GSHMDASKIDQPDLAEVANA SLDKKQVIGRISIPSVSLEL PVLKSSTEKNLLSGAATVKE NQVMGKGNYALAGHNMSKKG VLFSDIASLKKGDKIYLYDN ENEYEYAVTGVSEVTPDKWE VVEDHGKDEITLITCVSVKD NSKRYVVAGDLVGTKAKK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 ASP 6 ALA 7 SER 8 LYS 9 ILE 10 ASP 11 GLN 12 PRO 13 ASP 14 LEU 15 ALA 16 GLU 17 VAL 18 ALA 19 ASN 20 ALA 21 SER 22 LEU 23 ASP 24 LYS 25 LYS 26 GLN 27 VAL 28 ILE 29 GLY 30 ARG 31 ILE 32 SER 33 ILE 34 PRO 35 SER 36 VAL 37 SER 38 LEU 39 GLU 40 LEU 41 PRO 42 VAL 43 LEU 44 LYS 45 SER 46 SER 47 THR 48 GLU 49 LYS 50 ASN 51 LEU 52 LEU 53 SER 54 GLY 55 ALA 56 ALA 57 THR 58 VAL 59 LYS 60 GLU 61 ASN 62 GLN 63 VAL 64 MET 65 GLY 66 LYS 67 GLY 68 ASN 69 TYR 70 ALA 71 LEU 72 ALA 73 GLY 74 HIS 75 ASN 76 MET 77 SER 78 LYS 79 LYS 80 GLY 81 VAL 82 LEU 83 PHE 84 SER 85 ASP 86 ILE 87 ALA 88 SER 89 LEU 90 LYS 91 LYS 92 GLY 93 ASP 94 LYS 95 ILE 96 TYR 97 LEU 98 TYR 99 ASP 100 ASN 101 GLU 102 ASN 103 GLU 104 TYR 105 GLU 106 TYR 107 ALA 108 VAL 109 THR 110 GLY 111 VAL 112 SER 113 GLU 114 VAL 115 THR 116 PRO 117 ASP 118 LYS 119 TRP 120 GLU 121 VAL 122 VAL 123 GLU 124 ASP 125 HIS 126 GLY 127 LYS 128 ASP 129 GLU 130 ILE 131 THR 132 LEU 133 ILE 134 THR 135 CYS 136 VAL 137 SER 138 VAL 139 LYS 140 ASP 141 ASN 142 SER 143 LYS 144 ARG 145 TYR 146 VAL 147 VAL 148 ALA 149 GLY 150 ASP 151 LEU 152 VAL 153 GLY 154 THR 155 LYS 156 ALA 157 LYS 158 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 11570 BaSrtA 100.00 158 100.00 100.00 4.05e-108 BMRB 26510 Ba-SrtA 98.73 210 98.72 99.36 4.60e-104 PDB 2KW8 "Solution Structure Of Bacillus Anthracis Sortase A (Srta) Transpeptidase" 100.00 158 100.00 100.00 4.05e-108 PDB 2RUI "Solution Structure Of The Bacillus Anthracis Sortase A-substrate Complex" 100.00 158 100.00 100.00 4.05e-108 DBJ BAL16456 "LPXTG-site transpeptidase family protein [Bacillus cereus NC7401]" 98.73 210 98.08 99.36 2.03e-103 DBJ BAR78533 "putative cysteine protease ywpE [Bacillus anthracis]" 98.73 233 98.72 99.36 7.13e-104 DBJ GAE96182 "sortase A, LPXTG specific [Bacillus anthracis CZC5]" 98.73 210 98.72 99.36 4.60e-104 DBJ GAO57723 "LPXTG-site transpeptidase [Bacillus anthracis]" 98.73 210 98.72 99.36 4.60e-104 DBJ GAO63420 "LPXTG-site transpeptidase [Bacillus anthracis]" 98.73 210 98.72 99.36 4.60e-104 EMBL CJA38300 "sortase [Streptococcus pneumoniae]" 98.10 191 97.42 100.00 1.65e-102 EMBL CJJ39486 "sortase [Streptococcus pneumoniae]" 60.13 95 100.00 100.00 1.50e-60 EMBL CKE38654 "sortase [Streptococcus pneumoniae]" 98.73 210 98.08 99.36 2.03e-103 EMBL CKE81514 "sortase [Streptococcus pneumoniae]" 98.73 210 98.08 99.36 2.03e-103 EMBL CKE96545 "sortase [Streptococcus pneumoniae]" 98.73 210 98.08 99.36 2.03e-103 GB AAP24701 "LPXTG-site transpeptidase family protein [Bacillus anthracis str. Ames]" 98.73 233 98.72 99.36 7.13e-104 GB AAS39688 "LPXTG-site transpeptidase family protein [Bacillus cereus ATCC 10987]" 98.73 210 98.08 99.36 2.03e-103 GB AAT29792 "LPXTG-site transpeptidase family protein [Bacillus anthracis str. 'Ames Ancestor']" 98.73 233 98.72 99.36 7.13e-104 GB AAT52982 "LPXTG-site transpeptidase family protein [Bacillus anthracis str. Sterne]" 98.73 210 98.72 99.36 4.60e-104 GB AAU19641 "probable sortase family protein [Bacillus cereus E33L]" 98.73 210 97.44 99.36 6.11e-103 REF NP_843215 "LPXTG family transpeptidase [Bacillus anthracis str. Ames]" 98.73 233 98.72 99.36 7.13e-104 REF WP_001041406 "sortase [Bacillus cereus]" 98.73 210 97.44 99.36 5.36e-103 REF WP_001041710 "sortase [Bacillus cereus]" 98.73 210 97.44 99.36 4.65e-103 REF WP_001041711 "sortase [Bacillus cereus]" 98.73 210 97.44 98.72 8.48e-103 REF WP_001041715 "MULTISPECIES: sortase [Bacillus cereus group]" 98.73 210 97.44 99.36 4.86e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SrtA 'Bacillus anthracis' 1392 Bacteria . Bacillus anthracis 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 $SrtA 'recombinant technology' . Escherichia coli . pET15b 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 $SrtA 4 mM '[U-100% 15N]' MES 10 mM 'natural abundance' Bis-Tris 20 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrtA 2.5 mM '[U-100% 13C; U-100% 15N]' MES 10 mM 'natural abundance' Bis-Tris 20 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrtA 2.5 mM '[U-100% 13C; U-100% 15N]' MES 10 mM 'natural abundance' Bis-Tris 20 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' 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_Atnos_CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert, Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ModelFree _Saveframe_category software _Name ModelFree _Version . loop_ _Vendor _Address _Electronic_address Palmer . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address Keller . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_3 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HNHB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCACO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_4D_15N-13C_HMQC-NOESY-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 15N-13C HMQC-NOESY-HSQC' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCDCE)HE_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCD)HD_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_NOE_with_interleaved_presat_and_no_sat_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NOE with interleaved presat and no sat' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'For determination of pKa's, pH was varied from 4.5 to 10.0' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . 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 '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D HNHB' '3D HCCH-COSY' '3D HCACO' '2D (HB)CB(CGCDCE)HE' '2D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SrtA _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 4 4 MET H H 8.2300 0.01 1 2 4 4 MET HA H 4.3900 0.01 1 3 4 4 MET HB2 H 2.0200 0.01 2 4 4 4 MET HB3 H 1.9100 0.01 2 5 4 4 MET HE H 1.9200 0.01 2 6 4 4 MET HG2 H 2.4700 0.01 2 7 4 4 MET HG3 H 2.3900 0.01 2 8 4 4 MET C C 175.6900 0.25 1 9 4 4 MET CA C 55.3400 0.25 1 10 4 4 MET CB C 32.4700 0.25 1 11 4 4 MET CE C 16.9900 0.25 1 12 4 4 MET CG C 31.7000 0.25 1 13 4 4 MET N N 120.5400 0.13 1 14 5 5 ASP H H 8.2000 0.01 1 15 5 5 ASP HA H 4.4700 0.01 1 16 5 5 ASP HB2 H 2.6600 0.01 2 17 5 5 ASP HB3 H 1.7900 0.01 2 18 5 5 ASP C C 176.0900 0.25 1 19 5 5 ASP CA C 53.9200 0.25 1 20 5 5 ASP CB C 40.4100 0.25 1 21 5 5 ASP N N 121.4900 0.13 1 22 6 6 ALA H H 8.2000 0.01 1 23 6 6 ALA HA H 4.2000 0.01 1 24 6 6 ALA HB H 1.4020 0.01 2 25 6 6 ALA C C 177.3700 0.25 1 26 6 6 ALA CA C 52.8600 0.25 1 27 6 6 ALA CB C 18.3900 0.25 1 28 6 6 ALA N N 124.4300 0.13 1 29 7 7 SER H H 8.1300 0.01 1 30 7 7 SER HA H 4.2970 0.01 1 31 7 7 SER HB2 H 3.8890 0.01 2 32 7 7 SER HB3 H 3.6880 0.01 2 33 7 7 SER C C 174.1000 0.25 1 34 7 7 SER CA C 58.6970 0.25 1 35 7 7 SER CB C 63.5410 0.25 1 36 7 7 SER N N 113.1200 0.13 1 37 8 8 LYS H H 7.8300 0.01 1 38 8 8 LYS HA H 4.4700 0.01 1 39 8 8 LYS HB2 H 1.8020 0.01 2 40 8 8 LYS HB3 H 1.6710 0.01 2 41 8 8 LYS C C 175.4800 0.25 1 42 8 8 LYS CA C 55.2700 0.25 1 43 8 8 LYS CB C 32.2700 0.25 1 44 8 8 LYS N N 122.8900 0.13 1 45 9 9 ILE H H 7.8700 0.01 1 46 9 9 ILE HA H 4.1750 0.01 1 47 9 9 ILE HB H 1.7400 0.01 1 48 9 9 ILE HD1 H 0.7500 0.01 2 49 9 9 ILE HG12 H 1.3690 0.01 2 50 9 9 ILE HG13 H 1.0720 0.01 2 51 9 9 ILE HG2 H 0.9030 0.01 2 52 9 9 ILE C C 174.9600 0.25 1 53 9 9 ILE CA C 60.1480 0.25 1 54 9 9 ILE CB C 39.8100 0.25 1 55 9 9 ILE CD1 C 13.1300 0.25 1 56 9 9 ILE CG1 C 26.9880 0.25 1 57 9 9 ILE CG2 C 17.5300 0.25 1 58 9 9 ILE N N 122.1900 0.13 1 59 10 10 ASP H H 8.3950 0.01 1 60 10 10 ASP HA H 4.4400 0.01 1 61 10 10 ASP HB2 H 2.6460 0.01 2 62 10 10 ASP HB3 H 2.5350 0.01 2 63 10 10 ASP C C 175.4700 0.25 1 64 10 10 ASP CA C 54.5560 0.25 1 65 10 10 ASP CB C 40.9300 0.25 1 66 10 10 ASP N N 125.3580 0.13 1 67 11 11 GLN H H 8.0800 0.01 1 68 11 11 GLN HA H 4.2500 0.01 1 69 11 11 GLN HB2 H 1.9100 0.01 2 70 11 11 GLN HB3 H 1.9790 0.01 2 71 11 11 GLN HG2 H 2.3600 0.01 2 72 11 11 GLN HG3 H 2.3100 0.01 2 73 11 11 GLN CA C 53.6200 0.25 1 74 11 11 GLN CB C 29.6200 0.25 1 75 11 11 GLN CG C 32.0800 0.25 1 76 11 11 GLN N N 120.7200 0.13 1 77 12 12 PRO HA H 4.4480 0.01 1 78 12 12 PRO HB2 H 1.7040 0.01 2 79 12 12 PRO HB3 H 2.0330 0.01 2 80 12 12 PRO HD2 H 2.8990 0.01 2 81 12 12 PRO HD3 H 3.1130 0.01 2 82 12 12 PRO HG2 H 1.4050 0.01 2 83 12 12 PRO CA C 62.2520 0.25 1 84 12 12 PRO CB C 32.2900 0.25 1 85 12 12 PRO CD C 49.8860 0.25 1 86 12 12 PRO CG C 26.2910 0.25 1 87 13 13 ASP H H 8.3500 0.01 1 88 13 13 ASP HA H 4.5730 0.01 1 89 13 13 ASP HB2 H 2.6160 0.01 2 90 13 13 ASP HB3 H 2.6960 0.01 2 91 13 13 ASP C C 177.1900 0.25 1 92 13 13 ASP CA C 53.3690 0.25 1 93 13 13 ASP CB C 42.5400 0.25 1 94 13 13 ASP N N 118.9800 0.13 1 95 14 14 LEU H H 8.3900 0.01 1 96 14 14 LEU HA H 3.8680 0.01 1 97 14 14 LEU HB2 H 1.5630 0.01 2 98 14 14 LEU HB3 H 1.6310 0.01 2 99 14 14 LEU HD1 H 0.8670 0.01 2 100 14 14 LEU HG H 1.6870 0.01 1 101 14 14 LEU C C 178.2100 0.25 1 102 14 14 LEU CA C 57.7760 0.25 1 103 14 14 LEU CB C 41.7300 0.25 1 104 14 14 LEU CD1 C 24.5700 0.25 2 105 14 14 LEU CG C 27.2100 0.25 1 106 14 14 LEU N N 123.5500 0.13 1 107 15 15 ALA H H 8.4800 0.01 1 108 15 15 ALA HA H 4.1340 0.01 1 109 15 15 ALA HB H 1.3980 0.01 2 110 15 15 ALA C C 179.3000 0.25 1 111 15 15 ALA CA C 54.3440 0.25 1 112 15 15 ALA CB C 18.3700 0.25 1 113 15 15 ALA N N 121.7400 0.13 1 114 16 16 GLU H H 7.7600 0.01 1 115 16 16 GLU HA H 4.0400 0.01 1 116 16 16 GLU HB2 H 2.1680 0.01 2 117 16 16 GLU HB3 H 2.0550 0.01 2 118 16 16 GLU HG2 H 2.3260 0.01 2 119 16 16 GLU HG3 H 2.2270 0.01 2 120 16 16 GLU C C 178.6200 0.25 1 121 16 16 GLU CA C 58.2420 0.25 1 122 16 16 GLU CB C 29.8500 0.25 1 123 16 16 GLU CG C 36.9900 0.25 1 124 16 16 GLU N N 117.5000 0.13 1 125 17 17 VAL H H 7.4500 0.01 1 126 17 17 VAL HA H 3.7820 0.01 1 127 17 17 VAL HB H 2.1890 0.01 1 128 17 17 VAL HG1 H 1.0160 0.01 2 129 17 17 VAL HG2 H 0.9920 0.01 2 130 17 17 VAL C C 177.7500 0.25 1 131 17 17 VAL CA C 65.2960 0.25 1 132 17 17 VAL CB C 32.5700 0.25 1 133 17 17 VAL CG1 C 21.0500 0.25 2 134 17 17 VAL CG2 C 22.9500 0.25 2 135 17 17 VAL N N 118.8900 0.13 1 136 18 18 ALA H H 8.2200 0.01 1 137 18 18 ALA HA H 4.1400 0.01 1 138 18 18 ALA HB H 1.3900 0.01 2 139 18 18 ALA C C 178.5800 0.25 1 140 18 18 ALA CA C 53.9800 0.25 1 141 18 18 ALA CB C 17.7900 0.25 1 142 18 18 ALA N N 122.8400 0.13 1 143 19 19 ASN H H 7.7000 0.01 1 144 19 19 ASN HA H 4.7270 0.01 1 145 19 19 ASN HB2 H 2.6520 0.01 2 146 19 19 ASN HB3 H 2.8690 0.01 2 147 19 19 ASN C C 174.7900 0.25 1 148 19 19 ASN CA C 52.7390 0.25 1 149 19 19 ASN CB C 39.2200 0.25 1 150 19 19 ASN N N 113.8900 0.13 1 151 20 20 ALA H H 7.4100 0.01 1 152 20 20 ALA HA H 4.1580 0.01 1 153 20 20 ALA HB H 1.4280 0.01 2 154 20 20 ALA C C 177.3700 0.25 1 155 20 20 ALA CA C 53.0960 0.25 1 156 20 20 ALA CB C 19.6350 0.25 1 157 20 20 ALA N N 123.7600 0.13 1 158 21 21 SER H H 8.2800 0.01 1 159 21 21 SER HA H 4.5580 0.01 1 160 21 21 SER HB2 H 3.7550 0.01 2 161 21 21 SER HB3 H 3.7230 0.01 2 162 21 21 SER C C 176.6800 0.25 1 163 21 21 SER CA C 56.8110 0.25 1 164 21 21 SER CB C 63.9830 0.25 1 165 21 21 SER N N 115.8700 0.13 1 166 22 22 LEU H H 8.2200 0.01 1 167 22 22 LEU HA H 4.1000 0.01 1 168 22 22 LEU HB2 H 1.6900 0.01 2 169 22 22 LEU HB3 H 1.4800 0.01 2 170 22 22 LEU HD1 H 0.8500 0.01 2 171 22 22 LEU HD2 H 0.8500 0.01 2 172 22 22 LEU HG H 1.2630 0.01 1 173 22 22 LEU C C 176.1500 0.25 1 174 22 22 LEU CA C 55.1000 0.25 1 175 22 22 LEU CB C 43.1140 0.25 1 176 22 22 LEU CD1 C 24.3200 0.25 2 177 22 22 LEU CG C 26.9100 0.25 1 178 22 22 LEU N N 125.6500 0.13 1 179 23 23 ASP H H 8.5000 0.01 1 180 23 23 ASP HA H 4.6920 0.01 1 181 23 23 ASP HB2 H 2.8250 0.01 2 182 23 23 ASP HB3 H 2.5780 0.01 2 183 23 23 ASP C C 176.8500 0.25 1 184 23 23 ASP CA C 52.6350 0.25 1 185 23 23 ASP CB C 40.3700 0.25 1 186 23 23 ASP N N 125.3100 0.13 1 187 24 24 LYS H H 8.5400 0.01 1 188 24 24 LYS HA H 3.8890 0.01 1 189 24 24 LYS HB2 H 1.9060 0.01 2 190 24 24 LYS HB3 H 1.8220 0.01 2 191 24 24 LYS HD2 H 1.7200 0.01 2 192 24 24 LYS HD3 H 1.6800 0.01 2 193 24 24 LYS HE2 H 3.0300 0.01 2 194 24 24 LYS HE3 H 2.9700 0.01 2 195 24 24 LYS HG2 H 1.5510 0.01 2 196 24 24 LYS HG3 H 1.4230 0.01 2 197 24 24 LYS C C 178.3100 0.25 1 198 24 24 LYS CA C 59.1800 0.25 1 199 24 24 LYS CB C 32.0700 0.25 1 200 24 24 LYS CD C 28.9400 0.25 1 201 24 24 LYS CE C 41.7100 0.25 1 202 24 24 LYS CG C 25.6700 0.25 1 203 24 24 LYS N N 124.6300 0.13 1 204 25 25 LYS H H 8.2300 0.01 1 205 25 25 LYS HA H 4.1950 0.01 1 206 25 25 LYS HB2 H 1.9580 0.01 2 207 25 25 LYS HB3 H 1.8380 0.01 2 208 25 25 LYS HD2 H 1.7200 0.01 2 209 25 25 LYS HD3 H 1.6700 0.01 2 210 25 25 LYS HE2 H 3.0300 0.01 2 211 25 25 LYS HE3 H 2.9700 0.01 2 212 25 25 LYS HG2 H 1.5090 0.01 2 213 25 25 LYS HG3 H 1.4540 0.01 2 214 25 25 LYS C C 177.6900 0.25 1 215 25 25 LYS CA C 57.9000 0.25 1 216 25 25 LYS CB C 31.7400 0.25 1 217 25 25 LYS CD C 29.0000 0.25 1 218 25 25 LYS CE C 41.6200 0.25 1 219 25 25 LYS CG C 25.1900 0.25 1 220 25 25 LYS N N 117.6400 0.13 1 221 26 26 GLN H H 8.0300 0.01 1 222 26 26 GLN HA H 4.2490 0.01 1 223 26 26 GLN HB2 H 2.0280 0.01 2 224 26 26 GLN HB3 H 2.4800 0.01 2 225 26 26 GLN HG2 H 2.6500 0.01 2 226 26 26 GLN HG3 H 2.1950 0.01 2 227 26 26 GLN C C 174.9500 0.25 1 228 26 26 GLN CA C 54.9870 0.25 1 229 26 26 GLN CB C 29.9700 0.25 1 230 26 26 GLN CG C 33.5700 0.25 1 231 26 26 GLN N N 115.7700 0.13 1 232 27 27 VAL H H 7.2800 0.01 1 233 27 27 VAL HA H 4.2520 0.01 1 234 27 27 VAL HB H 2.2030 0.01 1 235 27 27 VAL HG1 H 1.0450 0.01 2 236 27 27 VAL HG2 H 1.1960 0.01 2 237 27 27 VAL C C 177.2000 0.25 1 238 27 27 VAL CA C 63.4000 0.25 1 239 27 27 VAL CB C 32.2900 0.25 1 240 27 27 VAL CG1 C 23.1500 0.25 2 241 27 27 VAL CG2 C 22.1600 0.25 2 242 27 27 VAL N N 120.1700 0.13 1 243 28 28 ILE H H 9.0200 0.01 1 244 28 28 ILE HA H 4.6960 0.01 1 245 28 28 ILE HB H 2.2110 0.01 1 246 28 28 ILE HD1 H 0.8440 0.01 2 247 28 28 ILE HG12 H 1.0040 0.01 2 248 28 28 ILE HG13 H 0.8280 0.01 2 249 28 28 ILE HG2 H 0.9170 0.01 2 250 28 28 ILE C C 175.3100 0.25 1 251 28 28 ILE CA C 60.6400 0.25 1 252 28 28 ILE CB C 39.5000 0.25 1 253 28 28 ILE CD1 C 14.4700 0.25 1 254 28 28 ILE CG1 C 26.4700 0.25 1 255 28 28 ILE CG2 C 18.8100 0.25 1 256 28 28 ILE N N 120.8200 0.13 1 257 29 29 GLY H H 7.6500 0.01 1 258 29 29 GLY HA2 H 4.1400 0.01 2 259 29 29 GLY HA3 H 4.6020 0.01 2 260 29 29 GLY C C 172.2200 0.25 1 261 29 29 GLY CA C 46.1700 0.25 1 262 29 29 GLY N N 109.2900 0.13 1 263 30 30 ARG H H 8.9000 0.01 1 264 30 30 ARG HA H 5.2400 0.01 1 265 30 30 ARG HB2 H 1.8730 0.01 2 266 30 30 ARG HB3 H 1.7900 0.01 2 267 30 30 ARG HD2 H 3.0800 0.01 2 268 30 30 ARG HD3 H 2.9090 0.01 2 269 30 30 ARG HG2 H 1.5430 0.01 2 270 30 30 ARG C C 172.6900 0.25 1 271 30 30 ARG CA C 55.3380 0.25 1 272 30 30 ARG CB C 34.5300 0.25 1 273 30 30 ARG CD C 42.8600 0.25 1 274 30 30 ARG CG C 27.5800 0.25 1 275 30 30 ARG N N 121.5600 0.13 1 276 31 31 ILE H H 9.4000 0.01 1 277 31 31 ILE HA H 5.6280 0.01 1 278 31 31 ILE HB H 1.4210 0.01 1 279 31 31 ILE HD1 H 0.6730 0.01 2 280 31 31 ILE HG12 H 1.6830 0.01 2 281 31 31 ILE HG13 H 0.7310 0.01 2 282 31 31 ILE HG2 H 0.9170 0.01 2 283 31 31 ILE C C 172.6200 0.25 1 284 31 31 ILE CA C 57.8750 0.25 1 285 31 31 ILE CB C 41.5100 0.25 1 286 31 31 ILE CD1 C 15.1100 0.25 1 287 31 31 ILE CG1 C 28.8000 0.25 1 288 31 31 ILE CG2 C 15.4500 0.25 1 289 31 31 ILE N N 120.3400 0.13 1 290 32 32 SER H H 9.5500 0.01 1 291 32 32 SER HA H 5.5420 0.01 1 292 32 32 SER HB2 H 3.9970 0.01 2 293 32 32 SER HB3 H 3.9710 0.01 2 294 32 32 SER C C 174.4600 0.25 1 295 32 32 SER CA C 55.5700 0.25 1 296 32 32 SER CB C 65.8050 0.25 1 297 32 32 SER N N 121.8600 0.13 1 298 33 33 ILE H H 9.1400 0.01 1 299 33 33 ILE HA H 4.9850 0.01 1 300 33 33 ILE HB H 2.0100 0.01 1 301 33 33 ILE HD1 H 0.5600 0.01 2 302 33 33 ILE HG12 H 1.5720 0.01 2 303 33 33 ILE HG13 H 1.1280 0.01 2 304 33 33 ILE HG2 H 0.9500 0.01 2 305 33 33 ILE C C 174.6100 0.25 1 306 33 33 ILE CA C 58.6160 0.25 1 307 33 33 ILE CB C 38.5300 0.25 1 308 33 33 ILE CD1 C 13.8700 0.25 1 309 33 33 ILE CG1 C 26.0600 0.25 1 310 33 33 ILE CG2 C 19.5200 0.25 1 311 33 33 ILE N N 124.0900 0.13 1 312 34 34 PRO HA H 4.4620 0.01 1 313 34 34 PRO HB2 H 2.4400 0.01 2 314 34 34 PRO HB3 H 2.0770 0.01 2 315 34 34 PRO HD2 H 3.9100 0.01 2 316 34 34 PRO HD3 H 4.1200 0.01 2 317 34 34 PRO HG2 H 2.2570 0.01 2 318 34 34 PRO HG3 H 2.0750 0.01 2 319 34 34 PRO CA C 65.5350 0.25 1 320 34 34 PRO CB C 32.2100 0.25 1 321 34 34 PRO CD C 50.7700 0.25 1 322 34 34 PRO CG C 27.5100 0.25 1 323 35 35 SER H H 9.3230 0.01 1 324 35 35 SER HA H 4.1600 0.01 1 325 35 35 SER HB2 H 3.7940 0.01 2 326 35 35 SER HB3 H 3.8640 0.01 2 327 35 35 SER C C 175.6840 0.25 1 328 35 35 SER CA C 61.2540 0.25 1 329 35 35 SER CB C 62.6410 0.25 1 330 35 35 SER N N 114.1520 0.13 1 331 36 36 VAL H H 6.9600 0.01 1 332 36 36 VAL HA H 4.6930 0.01 1 333 36 36 VAL HB H 2.4450 0.01 1 334 36 36 VAL HG1 H 0.6890 0.01 2 335 36 36 VAL HG2 H 0.6170 0.01 2 336 36 36 VAL C C 174.7600 0.25 1 337 36 36 VAL CA C 59.6950 0.25 1 338 36 36 VAL CB C 30.8600 0.25 1 339 36 36 VAL CG1 C 21.1300 0.25 2 340 36 36 VAL CG2 C 18.6000 0.25 2 341 36 36 VAL N N 108.9500 0.13 1 342 37 37 SER H H 7.9400 0.01 1 343 37 37 SER HA H 3.9480 0.01 1 344 37 37 SER HB2 H 4.0280 0.01 2 345 37 37 SER HB3 H 3.8750 0.01 2 346 37 37 SER C C 172.4700 0.25 1 347 37 37 SER CA C 58.7110 0.25 1 348 37 37 SER CB C 61.3260 0.25 1 349 37 37 SER N N 115.9900 0.13 1 350 38 38 LEU H H 7.4200 0.01 1 351 38 38 LEU HA H 4.6620 0.01 1 352 38 38 LEU HB2 H 1.5250 0.01 2 353 38 38 LEU HB3 H 1.5250 0.01 2 354 38 38 LEU HD1 H 0.8090 0.01 2 355 38 38 LEU HD2 H 0.9490 0.01 2 356 38 38 LEU C C 176.1800 0.25 1 357 38 38 LEU CA C 54.4430 0.25 1 358 38 38 LEU CB C 45.6200 0.25 1 359 38 38 LEU CD1 C 25.7100 0.25 2 360 38 38 LEU N N 120.6000 0.13 1 361 39 39 GLU H H 8.9600 0.01 1 362 39 39 GLU HA H 5.2000 0.01 1 363 39 39 GLU HB2 H 2.0030 0.01 2 364 39 39 GLU HB3 H 1.9200 0.01 2 365 39 39 GLU HG2 H 2.1860 0.01 2 366 39 39 GLU HG3 H 2.0940 0.01 2 367 39 39 GLU C C 174.7700 0.25 1 368 39 39 GLU CA C 56.1260 0.25 1 369 39 39 GLU CB C 31.7400 0.25 1 370 39 39 GLU CG C 35.9200 0.25 1 371 39 39 GLU N N 130.1700 0.13 1 372 40 40 LEU H H 8.7900 0.01 1 373 40 40 LEU HA H 5.2400 0.01 1 374 40 40 LEU HB2 H 1.5250 0.01 2 375 40 40 LEU HB3 H 1.6240 0.01 2 376 40 40 LEU HD1 H 1.2350 0.01 2 377 40 40 LEU HG H 0.8800 0.01 1 378 40 40 LEU C C 173.3900 0.25 1 379 40 40 LEU CA C 51.5050 0.25 1 380 40 40 LEU CB C 46.6200 0.25 1 381 40 40 LEU CD1 C 23.8600 0.25 2 382 40 40 LEU CG C 26.6500 0.25 1 383 40 40 LEU N N 123.6300 0.13 1 384 41 41 PRO HA H 4.8670 0.01 1 385 41 41 PRO HB2 H 2.4190 0.01 2 386 41 41 PRO HB3 H 1.7920 0.01 2 387 41 41 PRO HD2 H 3.8960 0.01 2 388 41 41 PRO HD3 H 3.9480 0.01 2 389 41 41 PRO HG2 H 2.0920 0.01 2 390 41 41 PRO HG3 H 2.0310 0.01 2 391 41 41 PRO CA C 62.5830 0.25 1 392 41 41 PRO CB C 32.3700 0.25 1 393 41 41 PRO CD C 50.1220 0.25 1 394 41 41 PRO CG C 27.5300 0.25 1 395 42 42 VAL H H 7.9400 0.01 1 396 42 42 VAL HA H 4.7350 0.01 1 397 42 42 VAL HB H 1.2860 0.01 1 398 42 42 VAL HG1 H 0.7690 0.01 2 399 42 42 VAL HG2 H 0.8700 0.01 2 400 42 42 VAL C C 174.8100 0.25 1 401 42 42 VAL CA C 61.2470 0.25 1 402 42 42 VAL CB C 33.1200 0.25 1 403 42 42 VAL CG1 C 21.5800 0.25 2 404 42 42 VAL CG2 C 22.2390 0.25 2 405 42 42 VAL N N 120.4100 0.13 1 406 43 43 LEU H H 9.2900 0.01 1 407 43 43 LEU HA H 5.3160 0.01 1 408 43 43 LEU HB2 H 1.3860 0.01 2 409 43 43 LEU HB3 H 1.6430 0.01 2 410 43 43 LEU HD1 H 0.7020 0.01 2 411 43 43 LEU HD2 H 0.7150 0.01 2 412 43 43 LEU HG H 1.4980 0.01 1 413 43 43 LEU C C 176.8400 0.25 1 414 43 43 LEU CA C 53.2270 0.25 1 415 43 43 LEU CB C 43.7200 0.25 1 416 43 43 LEU CD1 C 25.7600 0.25 2 417 43 43 LEU CD2 C 26.4200 0.25 2 418 43 43 LEU CG C 28.9600 0.25 1 419 43 43 LEU N N 128.3300 0.13 1 420 44 44 LYS H H 8.2800 0.01 1 421 44 44 LYS HA H 4.2500 0.01 1 422 44 44 LYS HB2 H 1.8610 0.01 2 423 44 44 LYS HE2 H 2.9900 0.01 2 424 44 44 LYS C C 175.3000 0.25 1 425 44 44 LYS CA C 57.1600 0.25 1 426 44 44 LYS CB C 33.4800 0.25 1 427 44 44 LYS N N 117.9800 0.13 1 428 45 45 SER H H 7.5600 0.01 1 429 45 45 SER HA H 4.3970 0.01 1 430 45 45 SER HB2 H 3.8850 0.01 2 431 45 45 SER HB3 H 3.7820 0.01 2 432 45 45 SER C C 174.5400 0.25 1 433 45 45 SER CA C 58.9260 0.25 1 434 45 45 SER CB C 64.3190 0.25 1 435 45 45 SER N N 113.7800 0.13 1 436 46 46 SER H H 8.7900 0.01 1 437 46 46 SER HA H 4.1240 0.01 1 438 46 46 SER HB2 H 3.7970 0.01 2 439 46 46 SER HB3 H 3.6380 0.01 2 440 46 46 SER C C 174.1000 0.25 1 441 46 46 SER CA C 56.9700 0.25 1 442 46 46 SER CB C 62.1580 0.25 1 443 46 46 SER N N 121.4500 0.13 1 444 47 47 THR H H 7.1800 0.01 1 445 47 47 THR HA H 4.3750 0.01 1 446 47 47 THR HB H 4.4860 0.01 1 447 47 47 THR HG2 H 1.1230 0.01 2 448 47 47 THR C C 174.3400 0.25 1 449 47 47 THR CA C 59.2040 0.25 1 450 47 47 THR CB C 70.9190 0.25 1 451 47 47 THR CG2 C 21.9000 0.25 1 452 47 47 THR N N 112.9300 0.13 1 453 48 48 GLU H H 8.9800 0.01 1 454 48 48 GLU HA H 3.9400 0.01 1 455 48 48 GLU HB2 H 2.0340 0.01 2 456 48 48 GLU HB3 H 2.0340 0.01 2 457 48 48 GLU HG2 H 2.3790 0.01 2 458 48 48 GLU HG3 H 2.2400 0.01 2 459 48 48 GLU C C 178.8900 0.25 1 460 48 48 GLU CA C 59.7840 0.25 1 461 48 48 GLU CB C 29.3300 0.25 1 462 48 48 GLU CG C 36.4300 0.25 1 463 48 48 GLU N N 121.6300 0.13 1 464 49 49 LYS H H 8.2300 0.01 1 465 49 49 LYS HA H 4.0010 0.01 1 466 49 49 LYS HB2 H 1.7670 0.01 2 467 49 49 LYS HB3 H 1.6860 0.01 2 468 49 49 LYS HE2 H 2.9710 0.01 2 469 49 49 LYS HE3 H 2.9710 0.01 2 470 49 49 LYS HG2 H 1.4900 0.01 2 471 49 49 LYS HG3 H 1.4000 0.01 2 472 49 49 LYS C C 179.6700 0.25 1 473 49 49 LYS CA C 58.8030 0.25 1 474 49 49 LYS CB C 32.4200 0.25 1 475 49 49 LYS CE C 41.7900 0.25 1 476 49 49 LYS CG C 24.7500 0.25 1 477 49 49 LYS N N 115.6900 0.13 1 478 50 50 ASN H H 7.7300 0.01 1 479 50 50 ASN HA H 4.3600 0.01 1 480 50 50 ASN HB2 H 2.9740 0.01 2 481 50 50 ASN HB3 H 2.4060 0.01 2 482 50 50 ASN HD21 H 6.8830 0.01 2 483 50 50 ASN HD22 H 7.8630 0.01 2 484 50 50 ASN C C 177.9100 0.25 1 485 50 50 ASN CA C 55.4710 0.25 1 486 50 50 ASN CB C 37.1600 0.25 1 487 50 50 ASN N N 120.6400 0.13 1 488 50 50 ASN ND2 N 110.4330 0.13 1 489 51 51 LEU H H 7.9500 0.01 1 490 51 51 LEU HA H 4.1480 0.01 1 491 51 51 LEU HB2 H 1.1480 0.01 2 492 51 51 LEU HB3 H 1.6680 0.01 2 493 51 51 LEU HD1 H 0.4980 0.01 2 494 51 51 LEU HD2 H 0.5070 0.01 2 495 51 51 LEU HG H 1.3570 0.01 1 496 51 51 LEU C C 177.3700 0.25 1 497 51 51 LEU CA C 56.2450 0.25 1 498 51 51 LEU CB C 41.6100 0.25 1 499 51 51 LEU CD1 C 24.3700 0.25 2 500 51 51 LEU CD2 C 26.3700 0.25 2 501 51 51 LEU CG C 27.7700 0.25 1 502 51 51 LEU N N 118.1200 0.13 1 503 52 52 LEU H H 7.2000 0.01 1 504 52 52 LEU HA H 4.2580 0.01 1 505 52 52 LEU HB2 H 1.9180 0.01 2 506 52 52 LEU HB3 H 1.4820 0.01 2 507 52 52 LEU HD1 H 0.7150 0.01 2 508 52 52 LEU HD2 H 0.9070 0.01 2 509 52 52 LEU HG H 2.0900 0.01 1 510 52 52 LEU C C 177.2700 0.25 1 511 52 52 LEU CA C 56.6410 0.25 1 512 52 52 LEU CB C 42.9300 0.25 1 513 52 52 LEU CD1 C 23.1000 0.25 2 514 52 52 LEU CD2 C 26.0300 0.25 2 515 52 52 LEU CG C 26.0600 0.25 1 516 52 52 LEU N N 115.4000 0.13 1 517 53 53 SER H H 7.4200 0.01 1 518 53 53 SER HA H 4.5550 0.01 1 519 53 53 SER HB2 H 3.8950 0.01 2 520 53 53 SER HB3 H 3.5750 0.01 2 521 53 53 SER HG H 5.2550 0.01 1 522 53 53 SER C C 173.3300 0.25 1 523 53 53 SER CA C 59.6830 0.25 1 524 53 53 SER CB C 66.4860 0.25 1 525 53 53 SER N N 108.7000 0.13 1 526 54 54 GLY H H 7.2400 0.01 1 527 54 54 GLY HA2 H 3.8510 0.01 2 528 54 54 GLY HA3 H 3.8510 0.01 2 529 54 54 GLY C C 169.8200 0.25 1 530 54 54 GLY CA C 46.6100 0.25 1 531 54 54 GLY N N 106.4800 0.13 1 532 55 55 ALA H H 7.9100 0.01 1 533 55 55 ALA HA H 4.5850 0.01 1 534 55 55 ALA HB H 1.1690 0.01 2 535 55 55 ALA C C 175.1300 0.25 1 536 55 55 ALA CA C 49.4350 0.25 1 537 55 55 ALA CB C 22.3700 0.25 1 538 55 55 ALA N N 123.5300 0.13 1 539 56 56 ALA H H 8.8900 0.01 1 540 56 56 ALA HA H 5.3460 0.01 1 541 56 56 ALA HB H 1.0390 0.01 2 542 56 56 ALA C C 177.1700 0.25 1 543 56 56 ALA CA C 49.5640 0.25 1 544 56 56 ALA CB C 23.2200 0.25 1 545 56 56 ALA N N 123.4300 0.13 1 546 57 57 THR H H 8.0900 0.01 1 547 57 57 THR HA H 4.1630 0.01 1 548 57 57 THR HB H 3.9840 0.01 1 549 57 57 THR HG2 H 1.0470 0.01 2 550 57 57 THR C C 174.9200 0.25 1 551 57 57 THR CA C 61.7390 0.25 1 552 57 57 THR CB C 68.9610 0.25 1 553 57 57 THR CG2 C 23.1800 0.25 1 554 57 57 THR N N 111.4400 0.13 1 555 58 58 VAL H H 7.0200 0.01 1 556 58 58 VAL HA H 3.8320 0.01 1 557 58 58 VAL HB H 1.6650 0.01 1 558 58 58 VAL HG1 H 0.7700 0.01 2 559 58 58 VAL HG2 H 0.8410 0.01 2 560 58 58 VAL C C 175.8100 0.25 1 561 58 58 VAL CA C 63.8250 0.25 1 562 58 58 VAL CB C 33.6500 0.25 1 563 58 58 VAL CG1 C 22.5400 0.25 2 564 58 58 VAL CG2 C 21.6500 0.25 2 565 58 58 VAL N N 119.1000 0.13 1 566 59 59 LYS H H 7.5000 0.01 1 567 59 59 LYS HA H 4.5210 0.01 1 568 59 59 LYS HB2 H 1.8330 0.01 2 569 59 59 LYS HB3 H 1.7120 0.01 2 570 59 59 LYS C C 176.5000 0.25 1 571 59 59 LYS CA C 54.2420 0.25 1 572 59 59 LYS CB C 33.2000 0.25 1 573 59 59 LYS N N 116.8800 0.13 1 574 60 60 GLU H H 8.6500 0.01 1 575 60 60 GLU HA H 4.0780 0.01 1 576 60 60 GLU HB2 H 1.9440 0.01 2 577 60 60 GLU HB3 H 1.8600 0.01 2 578 60 60 GLU HG2 H 2.2260 0.01 2 579 60 60 GLU HG3 H 2.2530 0.01 2 580 60 60 GLU C C 176.5000 0.25 1 581 60 60 GLU CA C 57.3440 0.25 1 582 60 60 GLU CB C 30.3790 0.25 1 583 60 60 GLU CG C 36.4500 0.25 1 584 60 60 GLU N N 120.9800 0.13 1 585 61 61 ASN H H 8.6400 0.01 1 586 61 61 ASN HA H 4.5060 0.01 1 587 61 61 ASN HB2 H 2.8500 0.01 2 588 61 61 ASN HB3 H 2.8100 0.01 2 589 61 61 ASN HD21 H 6.8700 0.01 2 590 61 61 ASN HD22 H 7.5800 0.01 2 591 61 61 ASN C C 174.5800 0.25 1 592 61 61 ASN CA C 53.4880 0.25 1 593 61 61 ASN CB C 37.4500 0.25 1 594 61 61 ASN N N 115.0900 0.13 1 595 61 61 ASN ND2 N 113.2400 0.13 1 596 62 62 GLN H H 7.8800 0.01 1 597 62 62 GLN HA H 4.2700 0.01 1 598 62 62 GLN HB2 H 1.9810 0.01 2 599 62 62 GLN HB3 H 1.7820 0.01 2 600 62 62 GLN HG2 H 2.2600 0.01 2 601 62 62 GLN HG3 H 2.2600 0.01 2 602 62 62 GLN C C 175.6300 0.25 1 603 62 62 GLN CA C 56.2500 0.25 1 604 62 62 GLN CB C 30.1800 0.25 1 605 62 62 GLN CG C 34.6100 0.25 1 606 62 62 GLN N N 116.4200 0.13 1 607 63 63 VAL H H 9.3900 0.01 1 608 63 63 VAL HA H 4.2740 0.01 1 609 63 63 VAL HB H 1.8250 0.01 1 610 63 63 VAL HG1 H 0.8600 0.01 2 611 63 63 VAL HG2 H 0.8570 0.01 2 612 63 63 VAL C C 174.6300 0.25 1 613 63 63 VAL CA C 61.2270 0.25 1 614 63 63 VAL CB C 35.3570 0.25 1 615 63 63 VAL CG1 C 20.8560 0.25 2 616 63 63 VAL CG2 C 20.8800 0.25 2 617 63 63 VAL N N 125.3700 0.13 1 618 64 64 MET H H 8.5800 0.01 1 619 64 64 MET HA H 2.6830 0.01 1 620 64 64 MET HB2 H 0.3050 0.01 2 621 64 64 MET HB3 H 1.2140 0.01 2 622 64 64 MET HE H 2.0050 0.01 2 623 64 64 MET HG2 H 1.2070 0.01 2 624 64 64 MET HG3 H 2.3580 0.01 2 625 64 64 MET C C 175.4700 0.25 1 626 64 64 MET CA C 59.2840 0.25 1 627 64 64 MET CB C 31.2000 0.25 1 628 64 64 MET CE C 17.9880 0.25 1 629 64 64 MET CG C 34.3400 0.25 1 630 64 64 MET N N 126.0100 0.13 1 631 65 65 GLY H H 5.8100 0.01 1 632 65 65 GLY HA2 H 3.7940 0.01 2 633 65 65 GLY HA3 H 3.2520 0.01 2 634 65 65 GLY C C 171.8900 0.25 1 635 65 65 GLY CA C 45.6100 0.25 1 636 65 65 GLY N N 104.5900 0.13 1 637 66 66 LYS H H 7.6200 0.01 1 638 66 66 LYS HA H 4.8870 0.01 1 639 66 66 LYS HB2 H 1.6120 0.01 2 640 66 66 LYS HB3 H 1.5250 0.01 2 641 66 66 LYS HD2 H 1.5910 0.01 2 642 66 66 LYS HD3 H 1.6400 0.01 2 643 66 66 LYS HE2 H 2.9600 0.01 2 644 66 66 LYS HE3 H 2.9090 0.01 2 645 66 66 LYS HG2 H 1.2620 0.01 2 646 66 66 LYS HG3 H 1.1820 0.01 2 647 66 66 LYS C C 177.0300 0.25 1 648 66 66 LYS CA C 53.6230 0.25 1 649 66 66 LYS CB C 35.7400 0.25 1 650 66 66 LYS CG C 24.2121 0.25 1 651 66 66 LYS N N 117.0000 0.13 1 652 67 67 GLY H H 9.1900 0.01 1 653 67 67 GLY HA2 H 3.8450 0.01 2 654 67 67 GLY HA3 H 3.7690 0.01 2 655 67 67 GLY C C 172.3800 0.25 1 656 67 67 GLY CA C 45.3900 0.25 1 657 67 67 GLY N N 112.0900 0.13 1 658 68 68 ASN H H 8.6610 0.01 1 659 68 68 ASN HA H 4.8510 0.01 1 660 68 68 ASN HB2 H 3.0760 0.01 2 661 68 68 ASN HB3 H 2.4740 0.01 2 662 68 68 ASN HD21 H 6.3500 0.01 2 663 68 68 ASN HD22 H 6.8000 0.01 2 664 68 68 ASN C C 174.4600 0.25 1 665 68 68 ASN CA C 51.1790 0.25 1 666 68 68 ASN CB C 36.8300 0.25 1 667 68 68 ASN N N 118.0200 0.13 1 668 68 68 ASN ND2 N 105.4900 0.13 1 669 69 69 TYR H H 8.4900 0.01 1 670 69 69 TYR HA H 3.9090 0.01 1 671 69 69 TYR HB2 H 3.1130 0.01 2 672 69 69 TYR HB3 H 2.7420 0.01 2 673 69 69 TYR HD1 H 6.8040 0.01 3 674 69 69 TYR HE1 H 6.4050 0.01 3 675 69 69 TYR C C 172.3800 0.25 1 676 69 69 TYR CA C 59.2500 0.25 1 677 69 69 TYR CB C 38.1200 0.25 1 678 69 69 TYR CD1 C 133.5460 0.25 3 679 69 69 TYR CE1 C 118.0300 0.25 3 680 69 69 TYR N N 129.3100 0.13 1 681 70 70 ALA H H 6.7300 0.01 1 682 70 70 ALA HA H 5.5380 0.01 1 683 70 70 ALA HB H 1.0930 0.01 2 684 70 70 ALA C C 177.3600 0.25 1 685 70 70 ALA CA C 50.4090 0.25 1 686 70 70 ALA CB C 20.7800 0.25 1 687 70 70 ALA N N 128.9600 0.13 1 688 71 71 LEU H H 9.3000 0.01 1 689 71 71 LEU HA H 5.0480 0.01 1 690 71 71 LEU HB2 H 1.8500 0.01 2 691 71 71 LEU HB3 H 1.2010 0.01 2 692 71 71 LEU HD1 H 0.7740 0.01 2 693 71 71 LEU HD2 H 0.8610 0.01 2 694 71 71 LEU HG H 1.4250 0.01 1 695 71 71 LEU C C 173.6500 0.25 1 696 71 71 LEU CA C 53.0390 0.25 1 697 71 71 LEU CB C 48.0980 0.25 1 698 71 71 LEU CD1 C 25.5400 0.25 2 699 71 71 LEU CD2 C 26.9500 0.25 2 700 71 71 LEU CG C 26.5400 0.25 1 701 71 71 LEU N N 124.3700 0.13 1 702 72 72 ALA H H 9.1200 0.01 1 703 72 72 ALA HA H 5.6460 0.01 1 704 72 72 ALA HB H 1.0850 0.01 2 705 72 72 ALA C C 175.5200 0.25 1 706 72 72 ALA CA C 49.0690 0.25 1 707 72 72 ALA CB C 22.7200 0.25 1 708 72 72 ALA N N 123.1900 0.13 1 709 73 73 GLY H H 7.6300 0.01 1 710 73 73 GLY HA2 H 4.1410 0.01 2 711 73 73 GLY HA3 H 2.1620 0.01 2 712 73 73 GLY C C 173.6300 0.25 1 713 73 73 GLY CA C 43.5700 0.25 1 714 73 73 GLY N N 103.2400 0.13 1 715 74 74 HIS H H 9.1200 0.01 1 716 74 74 HIS HA H 4.7600 0.01 1 717 74 74 HIS HB2 H 2.8250 0.01 2 718 74 74 HIS HB3 H 2.6500 0.01 2 719 74 74 HIS HD2 H 6.7880 0.01 1 720 74 74 HIS HE1 H 7.5370 0.01 1 721 74 74 HIS C C 178.5700 0.25 1 722 74 74 HIS CA C 56.9220 0.25 1 723 74 74 HIS CB C 33.0300 0.25 1 724 74 74 HIS CD2 C 117.7900 0.25 1 725 74 74 HIS CE1 C 138.8810 0.25 1 726 74 74 HIS N N 119.9300 0.13 1 727 75 75 ASN HA H 4.5000 0.01 1 728 75 75 ASN HB2 H 3.1200 0.01 2 729 75 75 ASN HB3 H 3.2300 0.01 2 730 75 75 ASN CA C 52.2070 0.25 1 731 75 75 ASN CB C 37.6300 0.25 1 732 76 76 MET H H 7.6700 0.01 1 733 76 76 MET HA H 4.7930 0.01 1 734 76 76 MET HB2 H 2.3030 0.01 2 735 76 76 MET HB3 H 1.4860 0.01 2 736 76 76 MET HE H 1.8050 0.01 2 737 76 76 MET HG2 H 2.5260 0.01 2 738 76 76 MET HG3 H 2.2340 0.01 2 739 76 76 MET C C 175.5700 0.25 1 740 76 76 MET CA C 52.2160 0.25 1 741 76 76 MET CB C 30.5700 0.25 1 742 76 76 MET CE C 15.7300 0.25 1 743 76 76 MET CG C 32.3200 0.25 1 744 76 76 MET N N 121.7500 0.13 1 745 77 77 SER H H 8.6500 0.01 1 746 77 77 SER HA H 4.1620 0.01 1 747 77 77 SER CA C 58.7400 0.25 1 748 77 77 SER N N 111.5200 0.13 1 749 78 78 LYS H H 7.2000 0.01 1 750 78 78 LYS HA H 4.4940 0.01 1 751 78 78 LYS HB2 H 1.4750 0.01 2 752 78 78 LYS HB3 H 1.3900 0.01 2 753 78 78 LYS HG2 H 1.3980 0.01 2 754 78 78 LYS HG3 H 1.3980 0.01 2 755 78 78 LYS C C 173.5700 0.25 1 756 78 78 LYS CA C 54.0600 0.25 1 757 78 78 LYS CB C 35.4000 0.25 1 758 78 78 LYS CG C 24.8600 0.25 1 759 78 78 LYS N N 116.6500 0.13 1 760 79 79 LYS H H 8.1900 0.01 1 761 79 79 LYS HA H 4.5050 0.01 1 762 79 79 LYS HB2 H 1.7500 0.01 2 763 79 79 LYS HB3 H 1.6800 0.01 2 764 79 79 LYS HD2 H 1.4980 0.01 2 765 79 79 LYS HD3 H 1.4980 0.01 2 766 79 79 LYS HG2 H 1.3170 0.01 2 767 79 79 LYS C C 178.4100 0.25 1 768 79 79 LYS CA C 57.4940 0.25 1 769 79 79 LYS CB C 32.2100 0.25 1 770 79 79 LYS CG C 24.4600 0.25 1 771 79 79 LYS N N 125.8800 0.13 1 772 80 80 GLY H H 10.0300 0.01 1 773 80 80 GLY HA2 H 4.0380 0.01 2 774 80 80 GLY HA3 H 4.0380 0.01 2 775 80 80 GLY C C 174.6200 0.25 1 776 80 80 GLY CA C 45.5190 0.25 1 777 80 80 GLY N N 114.9700 0.13 1 778 81 81 VAL H H 7.8700 0.01 1 779 81 81 VAL HA H 4.2890 0.01 1 780 81 81 VAL HB H 2.0330 0.01 1 781 81 81 VAL HG1 H 0.7680 0.01 2 782 81 81 VAL HG2 H 0.8750 0.01 2 783 81 81 VAL C C 176.0100 0.25 1 784 81 81 VAL CA C 61.4320 0.25 1 785 81 81 VAL CB C 32.4610 0.25 1 786 81 81 VAL CG1 C 21.1700 0.25 2 787 81 81 VAL CG2 C 22.3700 0.25 2 788 81 81 VAL N N 119.1400 0.13 1 789 82 82 LEU H H 9.9600 0.01 1 790 82 82 LEU HA H 3.7700 0.01 1 791 82 82 LEU HB2 H 2.0920 0.01 2 792 82 82 LEU HB3 H 1.6120 0.01 2 793 82 82 LEU HD1 H 0.7780 0.01 2 794 82 82 LEU HG H 1.1930 0.01 1 795 82 82 LEU C C 175.6300 0.25 1 796 82 82 LEU CA C 57.2450 0.25 1 797 82 82 LEU CB C 38.7000 0.25 1 798 82 82 LEU CD1 C 20.6700 0.25 2 799 82 82 LEU CG C 26.4400 0.25 1 800 82 82 LEU N N 129.3700 0.13 1 801 83 83 PHE H H 8.8800 0.01 1 802 83 83 PHE HA H 5.0500 0.01 1 803 83 83 PHE HB2 H 2.6670 0.01 2 804 83 83 PHE HB3 H 3.6870 0.01 2 805 83 83 PHE HD1 H 6.9070 0.01 3 806 83 83 PHE HE1 H 7.0090 0.01 3 807 83 83 PHE HZ H 6.7400 0.01 1 808 83 83 PHE C C 175.9800 0.25 1 809 83 83 PHE CA C 53.9510 0.25 1 810 83 83 PHE CB C 36.0400 0.25 1 811 83 83 PHE CD1 C 129.5000 0.25 3 812 83 83 PHE CE1 C 129.0200 0.25 3 813 83 83 PHE CZ C 128.5490 0.25 1 814 83 83 PHE N N 122.5600 0.13 1 815 84 84 SER H H 8.4400 0.01 1 816 84 84 SER HA H 4.7100 0.01 1 817 84 84 SER HB2 H 3.8510 0.01 2 818 84 84 SER HB3 H 3.7380 0.01 2 819 84 84 SER C C 174.8500 0.25 1 820 84 84 SER CA C 62.6800 0.25 1 821 84 84 SER CB C 64.2000 0.25 1 822 84 84 SER N N 114.6000 0.13 1 823 85 85 ASP H H 9.6000 0.01 1 824 85 85 ASP HA H 4.8790 0.01 1 825 85 85 ASP HB2 H 2.2180 0.01 2 826 85 85 ASP HB3 H 2.7970 0.01 2 827 85 85 ASP C C 178.2400 0.25 1 828 85 85 ASP CA C 54.4400 0.25 1 829 85 85 ASP CB C 42.0900 0.25 1 830 85 85 ASP N N 115.7300 0.13 1 831 86 86 ILE H H 6.9600 0.01 1 832 86 86 ILE HA H 3.5700 0.01 1 833 86 86 ILE HB H 1.5840 0.01 1 834 86 86 ILE HD1 H 0.2790 0.01 2 835 86 86 ILE HG12 H 1.2790 0.01 2 836 86 86 ILE HG13 H 0.9150 0.01 2 837 86 86 ILE HG2 H 0.1840 0.01 2 838 86 86 ILE C C 175.3000 0.25 1 839 86 86 ILE CA C 65.4180 0.25 1 840 86 86 ILE CB C 37.4000 0.25 1 841 86 86 ILE CD1 C 14.9200 0.25 1 842 86 86 ILE CG1 C 24.6500 0.25 1 843 86 86 ILE CG2 C 17.0600 0.25 1 844 86 86 ILE N N 113.7900 0.13 1 845 87 87 ALA H H 7.8600 0.01 1 846 87 87 ALA HA H 3.6170 0.01 1 847 87 87 ALA HB H 0.4550 0.01 2 848 87 87 ALA C C 177.2300 0.25 1 849 87 87 ALA CA C 52.9620 0.25 1 850 87 87 ALA CB C 16.4900 0.25 1 851 87 87 ALA N N 119.8500 0.13 1 852 88 88 SER H H 7.5600 0.01 1 853 88 88 SER HA H 4.3440 0.01 1 854 88 88 SER HB2 H 3.6870 0.01 2 855 88 88 SER HB3 H 3.6230 0.01 2 856 88 88 SER C C 174.2700 0.25 1 857 88 88 SER CA C 57.9010 0.25 1 858 88 88 SER CB C 63.9520 0.25 1 859 88 88 SER N N 111.5200 0.13 1 860 89 89 LEU H H 7.0500 0.01 1 861 89 89 LEU HA H 4.0800 0.01 1 862 89 89 LEU HB2 H 1.2370 0.01 2 863 89 89 LEU HB3 H 1.7030 0.01 2 864 89 89 LEU HD1 H 0.7540 0.01 2 865 89 89 LEU HD2 H 0.7730 0.01 2 866 89 89 LEU HG H 1.6910 0.01 1 867 89 89 LEU C C 174.4300 0.25 1 868 89 89 LEU CA C 55.5600 0.25 1 869 89 89 LEU CB C 42.4500 0.25 1 870 89 89 LEU CD1 C 26.2700 0.25 2 871 89 89 LEU CD2 C 24.2500 0.25 2 872 89 89 LEU CG C 27.6200 0.25 1 873 89 89 LEU N N 122.0100 0.13 1 874 90 90 LYS H H 8.6500 0.01 1 875 90 90 LYS HA H 4.4520 0.01 1 876 90 90 LYS HB2 H 1.6500 0.01 2 877 90 90 LYS HB3 H 1.6500 0.01 2 878 90 90 LYS HG2 H 1.4030 0.01 2 879 90 90 LYS HG3 H 1.3280 0.01 2 880 90 90 LYS C C 175.5100 0.25 1 881 90 90 LYS CA C 53.3840 0.25 1 882 90 90 LYS CB C 35.7400 0.25 1 883 90 90 LYS CG C 23.9200 0.25 1 884 90 90 LYS N N 117.8800 0.13 1 885 91 91 LYS H H 8.2600 0.01 1 886 91 91 LYS HA H 3.5640 0.01 1 887 91 91 LYS HB2 H 1.6300 0.01 2 888 91 91 LYS HB3 H 1.6300 0.01 2 889 91 91 LYS HD2 H 1.6800 0.01 2 890 91 91 LYS HD3 H 1.6800 0.01 2 891 91 91 LYS HE2 H 2.9900 0.01 2 892 91 91 LYS HG2 H 1.4640 0.01 2 893 91 91 LYS HG3 H 1.2250 0.01 2 894 91 91 LYS C C 177.5400 0.25 1 895 91 91 LYS CA C 58.1450 0.25 1 896 91 91 LYS CB C 32.1800 0.25 1 897 91 91 LYS CD C 29.4400 0.25 1 898 91 91 LYS CE C 41.7100 0.25 1 899 91 91 LYS CG C 24.9900 0.25 1 900 91 91 LYS N N 119.3800 0.13 1 901 92 92 GLY H H 9.2100 0.01 1 902 92 92 GLY HA2 H 3.4500 0.01 2 903 92 92 GLY HA3 H 4.4220 0.01 2 904 92 92 GLY C C 174.4300 0.25 1 905 92 92 GLY CA C 44.7100 0.25 1 906 92 92 GLY N N 114.9400 0.13 1 907 93 93 ASP H H 8.2500 0.01 1 908 93 93 ASP HA H 4.5510 0.01 1 909 93 93 ASP HB2 H 2.4400 0.01 2 910 93 93 ASP HB3 H 2.7150 0.01 2 911 93 93 ASP C C 175.4700 0.25 1 912 93 93 ASP CA C 55.7230 0.25 1 913 93 93 ASP CB C 41.2500 0.25 1 914 93 93 ASP N N 122.1900 0.13 1 915 94 94 LYS H H 8.0400 0.01 1 916 94 94 LYS HA H 5.0220 0.01 1 917 94 94 LYS HB2 H 1.7540 0.01 2 918 94 94 LYS HB3 H 1.2530 0.01 2 919 94 94 LYS HD2 H 1.5300 0.01 2 920 94 94 LYS HD3 H 1.5300 0.01 2 921 94 94 LYS HE2 H 2.9400 0.01 2 922 94 94 LYS HE3 H 2.9400 0.01 2 923 94 94 LYS HG2 H 1.6300 0.01 2 924 94 94 LYS HG3 H 1.6300 0.01 2 925 94 94 LYS C C 176.3300 0.25 1 926 94 94 LYS CA C 54.6630 0.25 1 927 94 94 LYS CB C 34.7700 0.25 1 928 94 94 LYS CE C 42.3800 0.25 1 929 94 94 LYS N N 117.6200 0.13 1 930 95 95 ILE H H 8.4600 0.01 1 931 95 95 ILE HA H 4.2890 0.01 1 932 95 95 ILE HB H 1.2890 0.01 1 933 95 95 ILE HD1 H 0.4280 0.01 2 934 95 95 ILE HG12 H 1.4000 0.01 2 935 95 95 ILE HG13 H 1.4000 0.01 2 936 95 95 ILE HG2 H 0.6900 0.01 2 937 95 95 ILE C C 173.3600 0.25 1 938 95 95 ILE CA C 60.6090 0.25 1 939 95 95 ILE CB C 42.7200 0.25 1 940 95 95 ILE CD1 C 15.0600 0.25 1 941 95 95 ILE CG2 C 17.4700 0.25 1 942 95 95 ILE N N 120.4100 0.13 1 943 96 96 TYR H H 9.2700 0.01 1 944 96 96 TYR HA H 5.5900 0.01 1 945 96 96 TYR HB2 H 2.9350 0.01 2 946 96 96 TYR HB3 H 2.5220 0.01 2 947 96 96 TYR HD1 H 6.8220 0.01 3 948 96 96 TYR HE1 H 6.5710 0.01 3 949 96 96 TYR C C 174.7800 0.25 1 950 96 96 TYR CA C 56.2870 0.25 1 951 96 96 TYR CB C 42.0500 0.25 1 952 96 96 TYR CD1 C 132.7700 0.25 3 953 96 96 TYR CE1 C 117.8400 0.25 3 954 96 96 TYR N N 124.3000 0.13 1 955 97 97 LEU H H 9.1800 0.01 1 956 97 97 LEU HA H 5.4060 0.01 1 957 97 97 LEU HB2 H 1.9370 0.01 2 958 97 97 LEU HB3 H 1.6260 0.01 2 959 97 97 LEU HD1 H 0.5220 0.01 2 960 97 97 LEU HD2 H 0.7030 0.01 2 961 97 97 LEU C C 175.1100 0.25 1 962 97 97 LEU CA C 52.5660 0.25 1 963 97 97 LEU CB C 46.3500 0.25 1 964 97 97 LEU CD1 C 26.4000 0.25 2 965 97 97 LEU CD2 C 24.2200 0.25 2 966 97 97 LEU N N 121.8900 0.13 1 967 98 98 TYR H H 8.8900 0.01 1 968 98 98 TYR HA H 5.6290 0.01 1 969 98 98 TYR HB2 H 2.6860 0.01 2 970 98 98 TYR HB3 H 3.1700 0.01 2 971 98 98 TYR HD1 H 6.9030 0.01 3 972 98 98 TYR HE1 H 6.6950 0.01 3 973 98 98 TYR C C 176.3600 0.25 1 974 98 98 TYR CA C 56.7840 0.25 1 975 98 98 TYR CB C 42.4500 0.25 1 976 98 98 TYR CD1 C 132.8800 0.25 3 977 98 98 TYR CE1 C 119.0000 0.25 3 978 98 98 TYR N N 117.8400 0.13 1 979 99 99 ASP H H 8.1300 0.01 1 980 99 99 ASP HA H 5.0300 0.01 1 981 99 99 ASP HB2 H 3.5770 0.01 2 982 99 99 ASP HB3 H 3.4320 0.01 2 983 99 99 ASP C C 176.8500 0.25 1 984 99 99 ASP CA C 52.4910 0.25 1 985 99 99 ASP CB C 40.7500 0.25 1 986 99 99 ASP N N 121.8100 0.13 1 987 100 100 ASN H H 8.4100 0.01 1 988 100 100 ASN HA H 4.5530 0.01 1 989 100 100 ASN HB2 H 2.8920 0.01 2 990 100 100 ASN HB3 H 2.8650 0.01 2 991 100 100 ASN HD21 H 6.8000 0.01 2 992 100 100 ASN HD22 H 7.4600 0.01 2 993 100 100 ASN C C 175.4100 0.25 1 994 100 100 ASN CA C 55.5600 0.25 1 995 100 100 ASN CB C 38.1700 0.25 1 996 100 100 ASN N N 114.7900 0.13 1 997 100 100 ASN ND2 N 111.8700 0.13 1 998 101 101 GLU H H 8.3700 0.01 1 999 101 101 GLU HA H 4.5280 0.01 1 1000 101 101 GLU HB2 H 1.9930 0.01 2 1001 101 101 GLU HB3 H 1.8960 0.01 2 1002 101 101 GLU HG2 H 2.1250 0.01 2 1003 101 101 GLU HG3 H 2.1420 0.01 2 1004 101 101 GLU C C 175.5000 0.25 1 1005 101 101 GLU CA C 57.7690 0.25 1 1006 101 101 GLU CB C 33.5900 0.25 1 1007 101 101 GLU CG C 36.3100 0.25 1 1008 101 101 GLU N N 116.6200 0.13 1 1009 102 102 ASN H H 9.2400 0.01 1 1010 102 102 ASN HA H 5.2980 0.01 1 1011 102 102 ASN HB2 H 2.2580 0.01 2 1012 102 102 ASN HB3 H 1.5100 0.01 2 1013 102 102 ASN HD21 H 6.7600 0.01 2 1014 102 102 ASN HD22 H 7.3200 0.01 2 1015 102 102 ASN C C 172.2000 0.25 1 1016 102 102 ASN CA C 52.8090 0.25 1 1017 102 102 ASN CB C 43.0700 0.25 1 1018 102 102 ASN N N 118.9100 0.13 1 1019 102 102 ASN ND2 N 113.9800 0.13 1 1020 103 103 GLU H H 8.6600 0.01 1 1021 103 103 GLU HA H 4.5100 0.01 1 1022 103 103 GLU HB2 H 1.8240 0.01 2 1023 103 103 GLU HB3 H 1.8240 0.01 2 1024 103 103 GLU C C 174.4500 0.25 1 1025 103 103 GLU CA C 54.1500 0.25 1 1026 103 103 GLU CB C 34.0800 0.25 1 1027 103 103 GLU N N 118.2000 0.13 1 1028 104 104 TYR H H 9.5700 0.01 1 1029 104 104 TYR HA H 4.6880 0.01 1 1030 104 104 TYR HB2 H 2.8460 0.01 2 1031 104 104 TYR HB3 H 2.4520 0.01 2 1032 104 104 TYR HD1 H 6.8600 0.01 3 1033 104 104 TYR HD2 H 6.8600 0.01 3 1034 104 104 TYR HE1 H 6.2670 0.01 3 1035 104 104 TYR HE2 H 6.4870 0.01 3 1036 104 104 TYR C C 173.2200 0.25 1 1037 104 104 TYR CA C 56.4310 0.25 1 1038 104 104 TYR CB C 39.8300 0.25 1 1039 104 104 TYR CD1 C 134.0400 0.25 3 1040 104 104 TYR CD2 C 134.0400 0.25 3 1041 104 104 TYR CE1 C 118.7200 0.25 3 1042 104 104 TYR CE2 C 118.4240 0.25 3 1043 104 104 TYR N N 128.7900 0.13 1 1044 105 105 GLU H H 8.7300 0.01 1 1045 105 105 GLU HA H 4.5340 0.01 1 1046 105 105 GLU HB2 H 1.8350 0.01 2 1047 105 105 GLU HB3 H 1.7940 0.01 2 1048 105 105 GLU C C 173.5800 0.25 1 1049 105 105 GLU CA C 54.9750 0.25 1 1050 105 105 GLU CB C 31.9700 0.25 1 1051 105 105 GLU N N 125.2200 0.13 1 1052 106 106 TYR H H 9.4500 0.01 1 1053 106 106 TYR HA H 5.3270 0.01 1 1054 106 106 TYR HB2 H 2.6390 0.01 2 1055 106 106 TYR HB3 H 2.2040 0.01 2 1056 106 106 TYR HD1 H 6.5290 0.01 3 1057 106 106 TYR HE1 H 6.0970 0.01 3 1058 106 106 TYR C C 174.2500 0.25 1 1059 106 106 TYR CA C 55.8830 0.25 1 1060 106 106 TYR CB C 42.3700 0.25 1 1061 106 106 TYR CD1 C 132.7600 0.25 3 1062 106 106 TYR CE1 C 117.3070 0.25 3 1063 106 106 TYR N N 125.5800 0.13 1 1064 107 107 ALA H H 8.8000 0.01 1 1065 107 107 ALA HA H 5.0570 0.01 1 1066 107 107 ALA HB H 1.1570 0.01 2 1067 107 107 ALA C C 176.8400 0.25 1 1068 107 107 ALA CA C 49.9070 0.25 1 1069 107 107 ALA CB C 21.5300 0.25 1 1070 107 107 ALA N N 122.5500 0.13 1 1071 108 108 VAL H H 9.1100 0.01 1 1072 108 108 VAL HA H 4.0580 0.01 1 1073 108 108 VAL HB H 2.1710 0.01 1 1074 108 108 VAL HG1 H 0.6070 0.01 2 1075 108 108 VAL HG2 H 0.8110 0.01 2 1076 108 108 VAL C C 177.8900 0.25 1 1077 108 108 VAL CA C 63.9540 0.25 1 1078 108 108 VAL CB C 32.4300 0.25 1 1079 108 108 VAL CG1 C 21.4900 0.25 2 1080 108 108 VAL CG2 C 23.9400 0.25 2 1081 108 108 VAL N N 122.1700 0.13 1 1082 109 109 THR H H 10.2500 0.01 1 1083 109 109 THR HA H 4.4070 0.01 1 1084 109 109 THR HB H 4.1770 0.01 1 1085 109 109 THR HG2 H 1.2160 0.01 2 1086 109 109 THR C C 175.1100 0.25 1 1087 109 109 THR CA C 61.9500 0.25 1 1088 109 109 THR CB C 69.4870 0.25 1 1089 109 109 THR CG2 C 22.2700 0.25 1 1090 109 109 THR N N 121.8000 0.13 1 1091 110 110 GLY H H 7.3800 0.01 1 1092 110 110 GLY HA2 H 3.9280 0.01 2 1093 110 110 GLY HA3 H 4.0460 0.01 2 1094 110 110 GLY C C 169.9500 0.25 1 1095 110 110 GLY CA C 45.8200 0.25 1 1096 110 110 GLY N N 109.8800 0.13 1 1097 111 111 VAL H H 8.0600 0.01 1 1098 111 111 VAL HA H 4.9440 0.01 1 1099 111 111 VAL HB H 1.8860 0.01 1 1100 111 111 VAL HG1 H 0.8500 0.01 2 1101 111 111 VAL HG2 H 0.8800 0.01 2 1102 111 111 VAL C C 175.5300 0.25 1 1103 111 111 VAL CA C 61.2160 0.25 1 1104 111 111 VAL CB C 34.5100 0.25 1 1105 111 111 VAL CG1 C 21.6100 0.25 2 1106 111 111 VAL CG2 C 20.5600 0.25 2 1107 111 111 VAL N N 120.5000 0.13 1 1108 112 112 SER H H 9.1400 0.01 1 1109 112 112 SER HA H 4.8820 0.01 1 1110 112 112 SER HB2 H 3.7400 0.01 2 1111 112 112 SER HB3 H 3.6430 0.01 2 1112 112 112 SER C C 171.6800 0.25 1 1113 112 112 SER CA C 56.9040 0.25 1 1114 112 112 SER CB C 66.1050 0.25 1 1115 112 112 SER N N 121.3300 0.13 1 1116 113 113 GLU H H 8.3600 0.01 1 1117 113 113 GLU HA H 5.2100 0.01 1 1118 113 113 GLU HB2 H 1.9080 0.01 2 1119 113 113 GLU HB3 H 1.9910 0.01 2 1120 113 113 GLU HG2 H 1.9620 0.01 2 1121 113 113 GLU HG3 H 1.7430 0.01 2 1122 113 113 GLU C C 176.5100 0.25 1 1123 113 113 GLU CA C 54.7170 0.25 1 1124 113 113 GLU CB C 31.7600 0.25 1 1125 113 113 GLU CG C 36.7800 0.25 1 1126 113 113 GLU N N 120.6100 0.13 1 1127 114 114 VAL H H 8.8300 0.01 1 1128 114 114 VAL HA H 4.8280 0.01 1 1129 114 114 VAL HB H 2.1040 0.01 1 1130 114 114 VAL HG1 H 0.6930 0.01 2 1131 114 114 VAL HG2 H 0.8510 0.01 2 1132 114 114 VAL C C 175.0800 0.25 1 1133 114 114 VAL CA C 58.9320 0.25 1 1134 114 114 VAL CB C 36.1500 0.25 1 1135 114 114 VAL CG1 C 20.2200 0.25 2 1136 114 114 VAL CG2 C 21.5000 0.25 2 1137 114 114 VAL N N 118.1200 0.13 1 1138 115 115 THR H H 7.9000 0.01 1 1139 115 115 THR HA H 4.5400 0.01 1 1140 115 115 THR HB H 4.4660 0.01 1 1141 115 115 THR HG2 H 1.2900 0.01 2 1142 115 115 THR C C 174.6400 0.25 1 1143 115 115 THR CA C 60.4400 0.25 1 1144 115 115 THR CB C 67.4900 0.25 1 1145 115 115 THR CG2 C 22.7400 0.25 1 1146 115 115 THR N N 113.6900 0.13 1 1147 116 116 PRO HA H 3.9930 0.01 1 1148 116 116 PRO HB2 H 1.9430 0.01 2 1149 116 116 PRO HB3 H 2.0810 0.01 2 1150 116 116 PRO HD2 H 3.6930 0.01 2 1151 116 116 PRO HD3 H 3.7430 0.01 2 1152 116 116 PRO HG2 H 1.7500 0.01 2 1153 116 116 PRO HG3 H 2.0300 0.01 2 1154 116 116 PRO CA C 64.9300 0.25 1 1155 116 116 PRO CB C 31.8300 0.25 1 1156 116 116 PRO CD C 51.1610 0.25 1 1157 116 116 PRO CG C 28.2210 0.25 1 1158 117 117 ASP H H 8.3700 0.01 1 1159 117 117 ASP HA H 4.4380 0.01 1 1160 117 117 ASP HB2 H 2.6220 0.01 2 1161 117 117 ASP HB3 H 2.7080 0.01 2 1162 117 117 ASP C C 176.2200 0.25 1 1163 117 117 ASP CA C 53.3500 0.25 1 1164 117 117 ASP CB C 39.8300 0.25 1 1165 117 117 ASP N N 113.5900 0.13 1 1166 118 118 LYS H H 7.2800 0.01 1 1167 118 118 LYS HA H 4.5240 0.01 1 1168 118 118 LYS HB2 H 1.8640 0.01 2 1169 118 118 LYS HB3 H 1.6860 0.01 2 1170 118 118 LYS HD2 H 1.5520 0.01 2 1171 118 118 LYS HD3 H 1.6600 0.01 2 1172 118 118 LYS HE2 H 2.8850 0.01 2 1173 118 118 LYS HE3 H 2.8850 0.01 2 1174 118 118 LYS HG2 H 1.3330 0.01 2 1175 118 118 LYS HG3 H 1.3860 0.01 2 1176 118 118 LYS C C 175.9900 0.25 1 1177 118 118 LYS CA C 54.3600 0.25 1 1178 118 118 LYS CB C 30.0900 0.25 1 1179 118 118 LYS CD C 28.4980 0.25 1 1180 118 118 LYS CE C 41.7800 0.25 1 1181 118 118 LYS CG C 24.4900 0.25 1 1182 118 118 LYS N N 121.7600 0.13 1 1183 119 119 TRP H H 7.9400 0.01 1 1184 119 119 TRP HA H 4.3950 0.01 1 1185 119 119 TRP HB2 H 3.2040 0.01 2 1186 119 119 TRP HB3 H 3.2040 0.01 2 1187 119 119 TRP HD1 H 7.1800 0.01 1 1188 119 119 TRP HE1 H 10.0370 0.01 1 1189 119 119 TRP HE3 H 7.3640 0.01 1 1190 119 119 TRP HH2 H 7.0460 0.01 1 1191 119 119 TRP HZ2 H 7.3640 0.01 1 1192 119 119 TRP HZ3 H 6.8640 0.01 1 1193 119 119 TRP C C 177.2000 0.25 1 1194 119 119 TRP CA C 57.7780 0.25 1 1195 119 119 TRP CB C 29.4900 0.25 1 1196 119 119 TRP CD1 C 127.3100 0.25 1 1197 119 119 TRP CE3 C 120.3600 0.25 1 1198 119 119 TRP CH2 C 124.3500 0.25 1 1199 119 119 TRP CZ2 C 114.8200 0.25 1 1200 119 119 TRP CZ3 C 121.3800 0.25 1 1201 119 119 TRP N N 124.3600 0.13 1 1202 119 119 TRP NE1 N 129.5970 0.13 1 1203 120 120 GLU H H 9.1300 0.01 1 1204 120 120 GLU HA H 3.9130 0.01 1 1205 120 120 GLU HB2 H 1.8700 0.01 2 1206 120 120 GLU HB3 H 1.8700 0.01 2 1207 120 120 GLU HG2 H 2.0070 0.01 2 1208 120 120 GLU HG3 H 1.8230 0.01 2 1209 120 120 GLU C C 178.4900 0.25 1 1210 120 120 GLU CA C 58.7400 0.25 1 1211 120 120 GLU CB C 28.4300 0.25 1 1212 120 120 GLU CG C 35.7500 0.25 1 1213 120 120 GLU N N 119.7400 0.13 1 1214 121 121 VAL H H 7.1400 0.01 1 1215 121 121 VAL HA H 4.1120 0.01 1 1216 121 121 VAL HB H 2.1760 0.01 1 1217 121 121 VAL HG1 H 0.8410 0.01 2 1218 121 121 VAL HG2 H 0.9590 0.01 2 1219 121 121 VAL C C 176.1700 0.25 1 1220 121 121 VAL CA C 63.9790 0.25 1 1221 121 121 VAL CB C 31.1900 0.25 1 1222 121 121 VAL CG1 C 18.8100 0.25 2 1223 121 121 VAL CG2 C 21.4400 0.25 2 1224 121 121 VAL N N 113.2700 0.13 1 1225 122 122 VAL H H 7.1500 0.01 1 1226 122 122 VAL HA H 4.0760 0.01 1 1227 122 122 VAL HB H 1.9950 0.01 1 1228 122 122 VAL HG1 H 0.6310 0.01 2 1229 122 122 VAL HG2 H 0.6610 0.01 2 1230 122 122 VAL C C 174.7400 0.25 1 1231 122 122 VAL CA C 61.0600 0.25 1 1232 122 122 VAL CB C 31.3300 0.25 1 1233 122 122 VAL CG1 C 17.9800 0.25 2 1234 122 122 VAL CG2 C 22.4100 0.25 2 1235 122 122 VAL N N 108.4200 0.13 1 1236 123 123 GLU H H 7.0000 0.01 1 1237 123 123 GLU HA H 3.9830 0.01 1 1238 123 123 GLU HB2 H 2.0200 0.01 2 1239 123 123 GLU HB3 H 1.8170 0.01 2 1240 123 123 GLU HG2 H 2.4540 0.01 2 1241 123 123 GLU HG3 H 2.2690 0.01 2 1242 123 123 GLU C C 175.0200 0.25 1 1243 123 123 GLU CA C 55.2960 0.25 1 1244 123 123 GLU CB C 30.4600 0.25 1 1245 123 123 GLU CG C 36.5400 0.25 1 1246 123 123 GLU N N 120.7900 0.13 1 1247 124 124 ASP H H 8.4700 0.01 1 1248 124 124 ASP HA H 4.3130 0.01 1 1249 124 124 ASP HB2 H 2.8590 0.01 2 1250 124 124 ASP HB3 H 2.5010 0.01 2 1251 124 124 ASP C C 177.2000 0.25 1 1252 124 124 ASP CA C 55.8410 0.25 1 1253 124 124 ASP CB C 40.6800 0.25 1 1254 124 124 ASP N N 119.9200 0.13 1 1255 125 125 HIS H H 10.0400 0.01 1 1256 125 125 HIS HA H 5.0750 0.01 1 1257 125 125 HIS HB2 H 2.8740 0.01 2 1258 125 125 HIS HB3 H 3.5580 0.01 2 1259 125 125 HIS HD2 H 7.1600 0.01 1 1260 125 125 HIS HE1 H 8.2970 0.01 1 1261 125 125 HIS C C 175.6200 0.25 1 1262 125 125 HIS CA C 54.1370 0.25 1 1263 125 125 HIS CB C 29.7700 0.25 1 1264 125 125 HIS CD2 C 119.2000 0.25 1 1265 125 125 HIS CE1 C 135.0000 0.25 1 1266 125 125 HIS N N 121.2300 0.13 1 1267 126 126 GLY H H 8.5400 0.01 1 1268 126 126 GLY HA2 H 3.6790 0.01 2 1269 126 126 GLY HA3 H 4.1400 0.01 2 1270 126 126 GLY C C 173.0700 0.25 1 1271 126 126 GLY CA C 45.7800 0.25 1 1272 126 126 GLY N N 109.7500 0.13 1 1273 127 127 LYS H H 7.3500 0.01 1 1274 127 127 LYS HA H 4.6670 0.01 1 1275 127 127 LYS HB2 H 1.7930 0.01 2 1276 127 127 LYS HB3 H 1.6330 0.01 2 1277 127 127 LYS HD2 H 1.5340 0.01 2 1278 127 127 LYS HD3 H 1.5340 0.01 2 1279 127 127 LYS HE2 H 2.7750 0.01 2 1280 127 127 LYS HE3 H 2.7750 0.01 2 1281 127 127 LYS HG2 H 1.1660 0.01 2 1282 127 127 LYS HG3 H 0.9590 0.01 2 1283 127 127 LYS C C 174.6300 0.25 1 1284 127 127 LYS CA C 54.0100 0.25 1 1285 127 127 LYS CB C 35.2000 0.25 1 1286 127 127 LYS CD C 29.1800 0.25 1 1287 127 127 LYS CE C 41.7200 0.25 1 1288 127 127 LYS CG C 23.6900 0.25 1 1289 127 127 LYS N N 115.4300 0.13 1 1290 128 128 ASP H H 8.5100 0.01 1 1291 128 128 ASP HA H 5.3230 0.01 1 1292 128 128 ASP HB2 H 2.6010 0.01 2 1293 128 128 ASP HB3 H 2.5020 0.01 2 1294 128 128 ASP C C 174.8100 0.25 1 1295 128 128 ASP CA C 53.8890 0.25 1 1296 128 128 ASP CB C 41.3300 0.25 1 1297 128 128 ASP N N 122.6900 0.13 1 1298 129 129 GLU H H 9.5300 0.01 1 1299 129 129 GLU HA H 5.4480 0.01 1 1300 129 129 GLU HB2 H 2.0880 0.01 2 1301 129 129 GLU HB3 H 1.9690 0.01 2 1302 129 129 GLU HG2 H 2.2420 0.01 2 1303 129 129 GLU HG3 H 2.2420 0.01 2 1304 129 129 GLU C C 173.4000 0.25 1 1305 129 129 GLU CA C 55.2030 0.25 1 1306 129 129 GLU CB C 35.3700 0.25 1 1307 129 129 GLU CG C 35.3100 0.25 1 1308 129 129 GLU N N 125.7100 0.13 1 1309 130 130 ILE H H 9.2600 0.01 1 1310 130 130 ILE HA H 5.0250 0.01 1 1311 130 130 ILE HB H 0.0370 0.01 1 1312 130 130 ILE HD1 H 0.3250 0.01 2 1313 130 130 ILE HG12 H 1.8890 0.01 2 1314 130 130 ILE HG13 H 0.6450 0.01 2 1315 130 130 ILE HG2 H 0.1280 0.01 2 1316 130 130 ILE C C 172.0200 0.25 1 1317 130 130 ILE CA C 58.2270 0.25 1 1318 130 130 ILE CB C 40.4500 0.25 1 1319 130 130 ILE CD1 C 15.8000 0.25 1 1320 130 130 ILE CG1 C 28.1200 0.25 1 1321 130 130 ILE CG2 C 16.3730 0.25 1 1322 130 130 ILE N N 123.6100 0.13 1 1323 131 131 THR H H 7.7900 0.01 1 1324 131 131 THR HA H 5.1070 0.01 1 1325 131 131 THR HB H 3.4690 0.01 1 1326 131 131 THR HG2 H 0.9010 0.01 2 1327 131 131 THR C C 172.8800 0.25 1 1328 131 131 THR CA C 61.7070 0.25 1 1329 131 131 THR CB C 71.0450 0.25 1 1330 131 131 THR CG2 C 21.8500 0.25 1 1331 131 131 THR N N 121.2500 0.13 1 1332 132 132 LEU H H 9.5200 0.01 1 1333 132 132 LEU HA H 5.3670 0.01 1 1334 132 132 LEU HB2 H 0.9120 0.01 2 1335 132 132 LEU HB3 H 1.5330 0.01 2 1336 132 132 LEU HD1 H 0.3180 0.01 2 1337 132 132 LEU HD2 H 0.6040 0.01 2 1338 132 132 LEU HG H 1.3560 0.01 1 1339 132 132 LEU C C 175.6100 0.25 1 1340 132 132 LEU CA C 52.4560 0.25 1 1341 132 132 LEU CB C 42.8000 0.25 1 1342 132 132 LEU CD1 C 25.5600 0.25 2 1343 132 132 LEU CD2 C 24.5300 0.25 2 1344 132 132 LEU CG C 27.2300 0.25 1 1345 132 132 LEU N N 125.7100 0.13 1 1346 133 133 ILE H H 9.1600 0.01 1 1347 133 133 ILE HA H 5.6920 0.01 1 1348 133 133 ILE HB H 1.6460 0.01 1 1349 133 133 ILE HD1 H 0.6460 0.01 2 1350 133 133 ILE HG12 H 0.9650 0.01 2 1351 133 133 ILE HG13 H 1.4800 0.01 2 1352 133 133 ILE HG2 H 0.7880 0.01 2 1353 133 133 ILE CA C 58.5490 0.25 1 1354 133 133 ILE CB C 42.1100 0.25 1 1355 133 133 ILE CD1 C 14.4940 0.25 1 1356 133 133 ILE CG1 C 26.8600 0.25 1 1357 133 133 ILE CG2 C 17.8400 0.25 1 1358 133 133 ILE N N 117.6200 0.13 1 1359 134 134 THR HA H 5.5900 0.01 1 1360 134 134 THR HB H 4.6020 0.01 1 1361 134 134 THR HG2 H 1.5000 0.01 2 1362 134 134 THR CA C 60.0540 0.25 1 1363 134 134 THR CB C 70.5410 0.25 1 1364 134 134 THR CG2 C 21.9300 0.25 1 1365 143 143 LYS H H 7.6330 0.01 1 1366 143 143 LYS HA H 4.4760 0.01 1 1367 143 143 LYS HB2 H 1.4910 0.01 2 1368 143 143 LYS HB3 H 1.4910 0.01 2 1369 143 143 LYS CA C 55.6170 0.25 1 1370 143 143 LYS CB C 35.6730 0.25 1 1371 143 143 LYS CD C 29.0240 0.25 1 1372 143 143 LYS CE C 41.9210 0.25 1 1373 143 143 LYS CG C 24.9560 0.25 1 1374 143 143 LYS N N 118.1940 0.13 1 1375 144 144 ARG H H 8.7400 0.01 1 1376 144 144 ARG HA H 4.5330 0.01 1 1377 144 144 ARG HB2 H 1.4970 0.01 2 1378 144 144 ARG HB3 H 1.6810 0.01 2 1379 144 144 ARG HD2 H 3.0300 0.01 2 1380 144 144 ARG HD3 H 2.8400 0.01 2 1381 144 144 ARG CA C 55.9670 0.25 1 1382 144 144 ARG CB C 32.6700 0.25 1 1383 144 144 ARG CD C 43.5900 0.25 1 1384 144 144 ARG N N 120.1400 0.13 1 1385 145 145 TYR HA H 5.1650 0.01 1 1386 145 145 TYR HB2 H 2.6330 0.01 2 1387 145 145 TYR HB3 H 2.6330 0.01 2 1388 145 145 TYR HD1 H 6.9440 0.01 3 1389 145 145 TYR HE1 H 6.7360 0.01 3 1390 145 145 TYR CA C 58.2000 0.25 1 1391 145 145 TYR CB C 40.3200 0.25 1 1392 145 145 TYR CD1 C 132.4800 0.25 3 1393 145 145 TYR CE1 C 118.6700 0.25 3 1394 146 146 VAL H H 8.9000 0.01 1 1395 146 146 VAL HA H 4.9530 0.01 1 1396 146 146 VAL HB H 1.8820 0.01 1 1397 146 146 VAL HG1 H 0.6660 0.01 2 1398 146 146 VAL HG2 H 0.7430 0.01 2 1399 146 146 VAL C C 175.6300 0.25 1 1400 146 146 VAL CA C 60.6120 0.25 1 1401 146 146 VAL CB C 33.7200 0.25 1 1402 146 146 VAL CG1 C 21.5900 0.25 2 1403 146 146 VAL CG2 C 22.5200 0.25 2 1404 146 146 VAL N N 119.1900 0.13 1 1405 147 147 VAL H H 9.5300 0.01 1 1406 147 147 VAL HA H 4.5680 0.01 1 1407 147 147 VAL HB H 1.7820 0.01 1 1408 147 147 VAL HG1 H 0.7350 0.01 2 1409 147 147 VAL HG2 H 0.7920 0.01 2 1410 147 147 VAL C C 173.2200 0.25 1 1411 147 147 VAL CA C 61.2520 0.25 1 1412 147 147 VAL CB C 33.8000 0.25 1 1413 147 147 VAL CG1 C 21.6700 0.25 2 1414 147 147 VAL CG2 C 21.4900 0.25 2 1415 147 147 VAL N N 129.6500 0.13 1 1416 148 148 ALA H H 8.3700 0.01 1 1417 148 148 ALA HA H 5.5060 0.01 1 1418 148 148 ALA HB H 1.2610 0.01 2 1419 148 148 ALA C C 177.5400 0.25 1 1420 148 148 ALA CA C 49.8770 0.25 1 1421 148 148 ALA CB C 22.5800 0.25 1 1422 148 148 ALA N N 129.4000 0.13 1 1423 149 149 GLY H H 8.7000 0.01 1 1424 149 149 GLY HA2 H 4.9980 0.01 2 1425 149 149 GLY HA3 H 3.2780 0.01 2 1426 149 149 GLY C C 171.5500 0.25 1 1427 149 149 GLY CA C 46.3700 0.25 1 1428 149 149 GLY N N 107.2200 0.13 1 1429 150 150 ASP H H 8.2500 0.01 1 1430 150 150 ASP HA H 5.2130 0.01 1 1431 150 150 ASP HB2 H 2.6770 0.01 2 1432 150 150 ASP HB3 H 2.4440 0.01 2 1433 150 150 ASP C C 176.4800 0.25 1 1434 150 150 ASP CA C 53.4220 0.25 1 1435 150 150 ASP CB C 42.9050 0.25 1 1436 150 150 ASP N N 121.4500 0.13 1 1437 151 151 LEU H H 8.0200 0.01 1 1438 151 151 LEU HA H 3.7000 0.01 1 1439 151 151 LEU HB2 H 1.6350 0.01 2 1440 151 151 LEU HB3 H 0.8570 0.01 2 1441 151 151 LEU HD1 H 0.2230 0.01 2 1442 151 151 LEU HD2 H 0.8390 0.01 2 1443 151 151 LEU HG H 1.0980 0.01 1 1444 151 151 LEU C C 176.7000 0.25 1 1445 151 151 LEU CA C 56.7490 0.25 1 1446 151 151 LEU CB C 42.2900 0.25 1 1447 151 151 LEU CD1 C 22.1500 0.25 2 1448 151 151 LEU CD2 C 27.3700 0.25 2 1449 151 151 LEU CG C 27.0600 0.25 1 1450 151 151 LEU N N 122.5900 0.13 1 1451 152 152 VAL H H 9.6600 0.01 1 1452 152 152 VAL HA H 4.2340 0.01 1 1453 152 152 VAL HB H 1.8890 0.01 1 1454 152 152 VAL HG1 H 0.6910 0.01 2 1455 152 152 VAL HG2 H 0.8010 0.01 2 1456 152 152 VAL C C 176.5000 0.25 1 1457 152 152 VAL CA C 62.4690 0.25 1 1458 152 152 VAL CB C 33.2700 0.25 1 1459 152 152 VAL CG1 C 20.6300 0.25 2 1460 152 152 VAL CG2 C 21.1800 0.25 2 1461 152 152 VAL N N 126.4200 0.13 1 1462 153 153 GLY H H 7.4800 0.01 1 1463 153 153 GLY HA2 H 4.1900 0.01 2 1464 153 153 GLY HA3 H 4.0800 0.01 2 1465 153 153 GLY C C 170.3500 0.25 1 1466 153 153 GLY CA C 45.8600 0.25 1 1467 153 153 GLY N N 107.4500 0.13 1 1468 154 154 THR H H 7.9300 0.01 1 1469 154 154 THR HA H 4.9370 0.01 1 1470 154 154 THR HB H 3.7090 0.01 1 1471 154 154 THR HG2 H 0.8360 0.01 2 1472 154 154 THR C C 173.0600 0.25 1 1473 154 154 THR CA C 61.0800 0.25 1 1474 154 154 THR CB C 71.3440 0.25 1 1475 154 154 THR CG2 C 21.2700 0.25 1 1476 154 154 THR N N 114.3800 0.13 1 1477 155 155 LYS H H 8.6100 0.01 1 1478 155 155 LYS HA H 4.5260 0.01 1 1479 155 155 LYS HB2 H 1.7700 0.01 2 1480 155 155 LYS HB3 H 1.5900 0.01 2 1481 155 155 LYS HG2 H 1.3600 0.01 2 1482 155 155 LYS HG3 H 1.3600 0.01 2 1483 155 155 LYS C C 174.2600 0.25 1 1484 155 155 LYS CA C 54.8220 0.25 1 1485 155 155 LYS CB C 36.3000 0.25 1 1486 155 155 LYS CG C 24.1400 0.25 1 1487 155 155 LYS N N 124.2400 0.13 1 1488 156 156 ALA H H 8.3600 0.01 1 1489 156 156 ALA HA H 4.7350 0.01 1 1490 156 156 ALA HB H 1.3400 0.01 2 1491 156 156 ALA C C 178.2200 0.25 1 1492 156 156 ALA CA C 52.2250 0.25 1 1493 156 156 ALA CB C 18.8800 0.25 1 1494 156 156 ALA N N 125.3600 0.13 1 1495 157 157 LYS H H 8.3900 0.01 1 1496 157 157 LYS HA H 4.1790 0.01 1 1497 157 157 LYS HB2 H 1.6720 0.01 2 1498 157 157 LYS HB3 H 1.5930 0.01 2 1499 157 157 LYS HE2 H 2.8430 0.01 2 1500 157 157 LYS HE3 H 2.8430 0.01 2 1501 157 157 LYS C C 174.8200 0.25 1 1502 157 157 LYS CA C 56.4520 0.25 1 1503 157 157 LYS CB C 33.0900 0.25 1 1504 157 157 LYS CE C 41.7400 0.25 1 1505 157 157 LYS N N 122.9500 0.13 1 1506 158 158 LYS H H 7.8500 0.01 1 1507 158 158 LYS HA H 4.1090 0.01 1 1508 158 158 LYS HB2 H 1.6300 0.01 2 1509 158 158 LYS HB3 H 1.7400 0.01 2 1510 158 158 LYS HE2 H 2.9120 0.01 2 1511 158 158 LYS HE3 H 2.9120 0.01 2 1512 158 158 LYS HG2 H 1.3340 0.01 2 1513 158 158 LYS HG3 H 1.3700 0.01 2 1514 158 158 LYS C C 180.9900 0.25 1 1515 158 158 LYS CA C 57.3990 0.25 1 1516 158 158 LYS CB C 33.8700 0.25 1 1517 158 158 LYS CG C 26.7200 0.25 1 1518 158 158 LYS N N 127.8800 0.13 1 stop_ save_