data_7274 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the YdfO protein from Escherichia coli. Northeast Structural Genomics target ER251 ; _BMRB_accession_number 7274 _BMRB_flat_file_name bmr7274.str _Entry_type original _Submission_date 2006-08-24 _Accession_date 2006-09-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rossi P. . . 2 Cort J. R. . 3 Ho C. K. . 4 Janjua H. . . 5 Cunningham K. . . 6 Ma L.-C. . . 7 Xiao R. . . 8 Liu J. . . 9 Baran M. . . 10 Swapna G. V.T. . 11 Acton T. B. . 12 Rost B. . . 13 Kennedy M. A. . 14 Montelione G. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 851 "13C chemical shifts" 680 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-01 original author . stop_ _Original_release_date 2007-02-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of the YdfO protein from Escherichia coli. Northeast Structural Genomics target ER251 ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rossi P. . . 2 Cort J. R. . 3 Ho C. K. . 4 Janjua H. . . 5 Cunningham K. . . 6 Ma L.-C. . . 7 Xiao R. . . 8 Liu J. . . 9 Baran M. . . 10 Swapna G. V.T. . 11 Acton T. B. . 12 Rost B. . . 13 Kennedy M. A. . 14 Montelione G. T. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword AutoStructure ER251 NESG 'NMR structure' 'Northeast Structural Genomics Consortium' 'Protein Structure Initiative' PSI-2 stop_ save_ ################################## # Molecular system description # ################################## save_system_protein_YdfO _Saveframe_category molecular_system _Mol_system_name 'Hypothetical protein YdfO' _Abbreviation_common 'Hypothetical protein YdfO' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hypothetical protein YdfO' $protein_YdfO stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_protein_YdfO _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hypothetical protein YdfO' _Abbreviation_common 'Hypothetical protein YdfO' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MEGLSMDQVVIFKQIFDKVR NDLNYQWFYSELKRHNVSHY IYYLATENVHIVLKNDNTVL LKGLKNIVSVKFSKDRHLIE TTSNKLKSREITFQEYRRNL AKAGVFRWVTNIHEQKRYYY TFDNSLLFTESIQKTTQIFP RLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLY 4 LEU 5 SER 6 MET 7 ASP 8 GLN 9 VAL 10 VAL 11 ILE 12 PHE 13 LYS 14 GLN 15 ILE 16 PHE 17 ASP 18 LYS 19 VAL 20 ARG 21 ASN 22 ASP 23 LEU 24 ASN 25 TYR 26 GLN 27 TRP 28 PHE 29 TYR 30 SER 31 GLU 32 LEU 33 LYS 34 ARG 35 HIS 36 ASN 37 VAL 38 SER 39 HIS 40 TYR 41 ILE 42 TYR 43 TYR 44 LEU 45 ALA 46 THR 47 GLU 48 ASN 49 VAL 50 HIS 51 ILE 52 VAL 53 LEU 54 LYS 55 ASN 56 ASP 57 ASN 58 THR 59 VAL 60 LEU 61 LEU 62 LYS 63 GLY 64 LEU 65 LYS 66 ASN 67 ILE 68 VAL 69 SER 70 VAL 71 LYS 72 PHE 73 SER 74 LYS 75 ASP 76 ARG 77 HIS 78 LEU 79 ILE 80 GLU 81 THR 82 THR 83 SER 84 ASN 85 LYS 86 LEU 87 LYS 88 SER 89 ARG 90 GLU 91 ILE 92 THR 93 PHE 94 GLN 95 GLU 96 TYR 97 ARG 98 ARG 99 ASN 100 LEU 101 ALA 102 LYS 103 ALA 104 GLY 105 VAL 106 PHE 107 ARG 108 TRP 109 VAL 110 THR 111 ASN 112 ILE 113 HIS 114 GLU 115 GLN 116 LYS 117 ARG 118 TYR 119 TYR 120 TYR 121 THR 122 PHE 123 ASP 124 ASN 125 SER 126 LEU 127 LEU 128 PHE 129 THR 130 GLU 131 SER 132 ILE 133 GLN 134 LYS 135 THR 136 THR 137 GLN 138 ILE 139 PHE 140 PRO 141 ARG 142 LEU 143 GLU 144 HIS 145 HIS 146 HIS 147 HIS 148 HIS 149 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2HH8 "Solution Nmr Structure Of The Ydfo Protein From Escherichia Coli. Northeast Structural Genomics Target Er251" 100.00 149 100.00 100.00 1.79e-103 DBJ BAE76466 "hypothetical protein [Escherichia coli str. K-12 substr. W3110]" 91.28 136 99.26 99.26 6.62e-92 DBJ BAJ43349 "hypothetical protein ECDH1ME8569_1493 [Escherichia coli DH1]" 94.63 141 99.29 99.29 2.93e-96 EMBL CAQ98449 "conserved hypothetical protein; Qin prophage [Escherichia coli IAI1]" 91.28 136 99.26 99.26 6.62e-92 EMBL CAR17640 "conserved hypothetical protein; Qin prophage [Escherichia coli IAI39]" 90.60 136 99.26 99.26 3.41e-91 EMBL CBG34523 "conserved hypothetical protein [Escherichia coli 042]" 94.63 141 99.29 99.29 2.93e-96 EMBL CDJ71949 "Qin prophage protein [Escherichia coli str. K-12 substr. MC4100]" 91.28 136 99.26 99.26 6.62e-92 EMBL CDK69631 "putative envelope protein [Klebsiella pneumoniae IS22]" 91.28 136 99.26 99.26 6.62e-92 GB AAC74622 "Qin prophage; uncharacterized protein [Escherichia coli str. K-12 substr. MG1655]" 91.28 136 99.26 99.26 6.62e-92 GB AAN79909 "Hypothetical protein ydfO [Escherichia coli CFT073]" 93.96 141 97.14 99.29 7.06e-94 GB ACA77728 "protein of unknown function DUF1398 [Escherichia coli ATCC 8739]" 91.28 136 99.26 99.26 6.62e-92 GB ACB02759 "Qin prophage; predicted protein [Escherichia coli str. K-12 substr. DH10B]" 91.28 136 99.26 99.26 6.62e-92 GB ACR65380 "Qin prophage; predicted protein [Escherichia coli BW2952]" 91.28 136 99.26 99.26 6.62e-92 REF NP_416067 "Qin prophage; uncharacterized protein [Escherichia coli str. K-12 substr. MG1655]" 91.28 136 99.26 99.26 6.62e-92 REF NP_753349 "hypothetical protein c1440 [Escherichia coli CFT073]" 93.96 141 97.14 99.29 7.06e-94 REF WP_000373089 "hypothetical protein [Escherichia coli]" 91.28 136 98.53 98.53 4.94e-91 REF WP_000373090 "MULTISPECIES: Qin prophage; uncharacterized protein [Enterobacteriaceae]" 91.28 136 99.26 99.26 6.62e-92 REF WP_000398761 "hypothetical protein [Escherichia coli]" 93.96 141 97.14 99.29 7.06e-94 SP P76156 "RecName: Full=Uncharacterized protein YdfO [Escherichia coli K-12]" 91.28 136 99.26 99.26 6.62e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein_YdfO 'E. coli' 562 Bacteria . Escherichia coli 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 $protein_YdfO 'recombinant technology' 'E. coli' Escherichia coli . . 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 $protein_YdfO 0.69 mM '[U-13C; U-15N]' NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . 'ammonium acetate' 20 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein_YdfO 0.74 mM '[U-5% 13C; U-15N]' NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . 'ammonium acetate' 20 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein_YdfO 0.69 mM '[U-13C; U-15N]' NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . 'ammonium acetate' 20 mM . D2O 99.9 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Task collection stop_ _Details 'Varian Inc.' save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task collection stop_ _Details 'Bruker Biospin' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.2 loop_ _Task 'structure solution' stop_ _Details Gunthert save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 2.11.2 loop_ _Task refinement stop_ _Details Clore save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2005 loop_ _Task processing stop_ _Details Delaglio save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.11 loop_ _Task 'data analysis' stop_ _Details 'Goddard & Kneller' save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.2.1 loop_ _Task 'data analysis' stop_ _Details 'Zimmerman, Moseley, Montelione' save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1.1 loop_ _Task 'structure solution' stop_ _Details 'Huang, Montelione' save_ save_Hyper _Saveframe_category software _Name HYPER _Version 2.1 loop_ _Task 'structure solution' stop_ _Details 'Tejero, Montelione' save_ save_PDBstat _Saveframe_category software _Name PDBStat _Version 4.1 loop_ _Task 'data analysis' stop_ _Details 'Tejero, Montelione' save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.3 loop_ _Task refinement stop_ _Details 'Bhattacharya, Montelione' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement stop_ _Details Brunger save_ save_Procheck_NMR _Saveframe_category software _Name 'Procheck NMR' _Version 3.51 loop_ _Task refinement stop_ _Details 'Laskowski, MacArthur' save_ save_MolProbity _Saveframe_category software _Name MolProbity _Version 3.01 loop_ _Task refinement stop_ _Details 'Lovell, Richardson et. al.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HcCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HcCH-TOCSY _Sample_label . save_ save_HcCH-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HcCH-COSY _Sample_label . save_ save_CccoNH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name CccoNH-TOCSY _Sample_label . save_ save_3D-HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _Sample_label . save_ save_HNcoCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCACB _Sample_label . save_ save_HBHAcoNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_13C_HSQC_noct_Stereospecific_VL_Me_assign._10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC noct Stereospecific VL Me assign.' _Sample_label . save_ save_Het-NOE_11 _Saveframe_category NMR_applied_experiment _Experiment_name Het-NOE _Sample_label . save_ save_T1/T1rho_12 _Saveframe_category NMR_applied_experiment _Experiment_name T1/T1rho _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HcCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HcCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CccoNH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC noct Stereospecific VL Me assign.' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name Het-NOE _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name T1/T1rho _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 4.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 external indirect cylindrical external parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical external parallel 1.0 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical external parallel 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hypothetical protein YdfO' _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 LEU HA H 4.195 0.02 1 2 . 4 LEU HB2 H 1.515 0.02 2 3 . 4 LEU HB3 H 1.421 0.02 2 4 . 5 SER H H 8.116 0.02 1 5 . 5 SER N N 121.225 0.2 1 6 . 6 MET HA H 4.059 0.02 1 7 . 6 MET HB2 H 2.077 0.02 2 8 . 6 MET HB3 H 2.056 0.02 2 9 . 6 MET HG2 H 2.532 0.02 2 10 . 6 MET HG3 H 2.479 0.02 2 11 . 6 MET C C 171.707 0.2 1 12 . 6 MET CA C 54.948 0.2 1 13 . 6 MET CB C 32.912 0.2 1 14 . 6 MET CG C 30.891 0.2 1 15 . 7 ASP H H 8.720 0.02 1 16 . 7 ASP HA H 4.674 0.02 1 17 . 7 ASP HB2 H 2.797 0.02 2 18 . 7 ASP HB3 H 2.671 0.02 2 19 . 7 ASP C C 176.597 0.2 1 20 . 7 ASP CA C 54.037 0.2 1 21 . 7 ASP CB C 41.534 0.2 1 22 . 7 ASP N N 124.768 0.2 1 23 . 8 GLN H H 8.925 0.02 1 24 . 8 GLN HA H 4.097 0.02 1 25 . 8 GLN HB2 H 2.299 0.02 2 26 . 8 GLN HB3 H 2.125 0.02 2 27 . 8 GLN HG2 H 2.504 0.02 2 28 . 8 GLN HG3 H 2.412 0.02 2 29 . 8 GLN NE2 N 111.24 0.2 1 30 . 8 GLN HE21 H 7.502 0.02 1 31 . 8 GLN HE22 H 6.647 0.02 1 32 . 8 GLN C C 177.566 0.2 1 33 . 8 GLN CA C 58.384 0.2 1 34 . 8 GLN CB C 29.619 0.2 1 35 . 8 GLN CG C 34.211 0.2 1 36 . 8 GLN N N 122.863 0.2 1 37 . 9 VAL H H 8.282 0.02 1 38 . 9 VAL HA H 3.470 0.02 1 39 . 9 VAL HB H 2.193 0.02 1 40 . 9 VAL HG1 H 0.934 0.02 1 41 . 9 VAL HG2 H 1.084 0.02 1 42 . 9 VAL C C 177.491 0.2 1 43 . 9 VAL CA C 66.958 0.2 1 44 . 9 VAL CB C 31.342 0.2 1 45 . 9 VAL CG1 C 21.165 0.2 1 46 . 9 VAL CG2 C 22.946 0.2 1 47 . 9 VAL N N 119.352 0.2 1 48 . 10 VAL H H 7.180 0.02 1 49 . 10 VAL HA H 3.554 0.02 1 50 . 10 VAL HB H 2.074 0.02 1 51 . 10 VAL HG1 H 0.897 0.02 1 52 . 10 VAL HG2 H 0.999 0.02 1 53 . 10 VAL C C 178.466 0.2 1 54 . 10 VAL CA C 66.182 0.2 1 55 . 10 VAL CB C 31.734 0.2 1 56 . 10 VAL CG1 C 21.065 0.2 1 57 . 10 VAL CG2 C 22.570 0.2 1 58 . 10 VAL N N 118.509 0.2 1 59 . 11 ILE H H 7.295 0.02 1 60 . 11 ILE HA H 3.578 0.02 1 61 . 11 ILE HB H 1.593 0.02 1 62 . 11 ILE HG12 H 1.399 0.02 2 63 . 11 ILE HG13 H 1.017 0.02 2 64 . 11 ILE HG2 H 0.060 0.02 1 65 . 11 ILE HD1 H 0.662 0.02 1 66 . 11 ILE C C 178.922 0.2 1 67 . 11 ILE CA C 63.763 0.2 1 68 . 11 ILE CB C 37.743 0.2 1 69 . 11 ILE CG1 C 28.470 0.2 1 70 . 11 ILE CG2 C 15.816 0.2 1 71 . 11 ILE CD1 C 12.753 0.2 1 72 . 11 ILE N N 119.150 0.2 1 73 . 12 PHE H H 8.027 0.02 1 74 . 12 PHE HA H 4.274 0.02 1 75 . 12 PHE HB2 H 2.918 0.02 2 76 . 12 PHE HB3 H 2.796 0.02 2 77 . 12 PHE CD1 C 131.2 0.2 1 78 . 12 PHE CD2 C 131.2 0.2 1 79 . 12 PHE HD1 H 7.240 0.02 1 80 . 12 PHE HD2 H 7.240 0.02 1 81 . 12 PHE HZ H 7.298 0.02 1 82 . 12 PHE CZ C 130.0 0.2 1 83 . 12 PHE C C 177.812 0.2 1 84 . 12 PHE CA C 63.018 0.2 1 85 . 12 PHE CB C 38.761 0.2 1 86 . 12 PHE N N 116.150 0.2 1 87 . 13 LYS H H 9.038 0.02 1 88 . 13 LYS HA H 3.922 0.02 1 89 . 13 LYS HB2 H 1.938 0.02 2 90 . 13 LYS HB3 H 1.926 0.02 2 91 . 13 LYS C C 178.217 0.2 1 92 . 13 LYS CA C 60.553 0.2 1 93 . 13 LYS CB C 32.432 0.2 1 94 . 13 LYS CG C 25.029 0.2 1 95 . 13 LYS CD C 29.279 0.2 1 96 . 13 LYS CE C 42.367 0.2 1 97 . 13 LYS N N 123.262 0.2 1 98 . 14 GLN H H 7.798 0.02 1 99 . 14 GLN HA H 4.091 0.02 1 100 . 14 GLN HB2 H 2.224 0.02 2 101 . 14 GLN HB3 H 2.115 0.02 2 102 . 14 GLN HG2 H 2.638 0.02 2 103 . 14 GLN HG3 H 2.367 0.02 2 104 . 14 GLN HE21 H 7.371 0.02 1 105 . 14 GLN HE22 H 6.656 0.02 1 106 . 14 GLN C C 179.475 0.2 1 107 . 14 GLN CA C 59.413 0.2 1 108 . 14 GLN CB C 28.154 0.2 1 109 . 14 GLN CG C 34.100 0.2 1 110 . 14 GLN N N 116.404 0.2 1 111 . 14 GLN NE2 N 110.553 0.2 1 112 . 15 ILE H H 7.492 0.02 1 113 . 15 ILE HA H 3.883 0.02 1 114 . 15 ILE HB H 1.990 0.02 1 115 . 15 ILE HG12 H 1.932 0.02 2 116 . 15 ILE HG13 H 1.000 0.02 2 117 . 15 ILE HG2 H 0.903 0.02 1 118 . 15 ILE HD1 H 0.231 0.02 1 119 . 15 ILE C C 177.980 0.2 1 120 . 15 ILE CA C 65.971 0.2 1 121 . 15 ILE CB C 39.663 0.2 1 122 . 15 ILE CG1 C 29.110 0.2 1 123 . 15 ILE CG2 C 17.773 0.2 1 124 . 15 ILE CD1 C 14.187 0.2 1 125 . 15 ILE N N 120.167 0.2 1 126 . 16 PHE H H 8.692 0.02 1 127 . 16 PHE HA H 3.939 0.02 1 128 . 16 PHE HB2 H 3.094 0.02 2 129 . 16 PHE HB3 H 2.661 0.02 2 130 . 16 PHE CD1 C 131.1 0.2 1 131 . 16 PHE CD2 C 131.1 0.2 1 132 . 16 PHE HD1 H 7.424 0.02 1 133 . 16 PHE HD2 H 7.424 0.02 1 134 . 16 PHE C C 178.983 0.2 1 135 . 16 PHE CA C 62.016 0.2 1 136 . 16 PHE CB C 38.844 0.2 1 137 . 16 PHE N N 118.744 0.2 1 138 . 17 ASP H H 9.195 0.02 1 139 . 17 ASP HA H 4.260 0.02 1 140 . 17 ASP HB2 H 2.736 0.02 2 141 . 17 ASP HB3 H 2.476 0.02 2 142 . 17 ASP C C 178.352 0.2 1 143 . 17 ASP CA C 57.498 0.2 1 144 . 17 ASP CB C 39.213 0.2 1 145 . 17 ASP N N 121.180 0.2 1 146 . 18 LYS H H 7.644 0.02 1 147 . 18 LYS HA H 3.919 0.02 1 148 . 18 LYS C C 178.725 0.2 1 149 . 18 LYS CA C 59.967 0.2 1 150 . 18 LYS CB C 32.321 0.2 1 151 . 18 LYS CG C 24.196 0.2 1 152 . 18 LYS CD C 29.325 0.2 1 153 . 18 LYS CE C 41.835 0.2 1 154 . 18 LYS HB2 H 1.817 0.02 2 155 . 18 LYS HB3 H 1.766 0.02 2 156 . 18 LYS N N 119.774 0.2 1 157 . 19 VAL H H 7.158 0.02 1 158 . 19 VAL HA H 3.895 0.02 1 159 . 19 VAL HB H 1.179 0.02 1 160 . 19 VAL HG1 H -0.513 0.02 1 161 . 19 VAL HG2 H -0.698 0.02 1 162 . 19 VAL C C 176.888 0.2 1 163 . 19 VAL CA C 63.962 0.2 1 164 . 19 VAL CB C 30.240 0.2 1 165 . 19 VAL CG1 C 18.987 0.2 1 166 . 19 VAL CG2 C 20.168 0.2 1 167 . 19 VAL N N 118.073 0.2 1 168 . 20 ARG H H 6.898 0.02 1 169 . 20 ARG HA H 3.375 0.02 1 170 . 20 ARG HB2 H 1.562 0.02 2 171 . 20 ARG HB3 H 1.445 0.02 2 172 . 20 ARG C C 176.123 0.2 1 173 . 20 ARG CA C 59.191 0.2 1 174 . 20 ARG CB C 29.754 0.2 1 175 . 20 ARG CG C 27.257 0.2 1 176 . 20 ARG CD C 44.672 0.2 1 177 . 20 ARG N N 119.194 0.2 1 178 . 20 ARG NE N 108.8 0.2 1 179 . 20 ARG HE H 6.294 0.02 1 180 . 21 ASN H H 7.301 0.02 1 181 . 21 ASN HA H 4.716 0.02 1 182 . 21 ASN HB2 H 2.742 0.02 2 183 . 21 ASN HB3 H 2.741 0.02 2 184 . 21 ASN HD21 H 7.613 0.02 1 185 . 21 ASN HD22 H 6.878 0.02 1 186 . 21 ASN C C 176.020 0.2 1 187 . 21 ASN CA C 55.272 0.2 1 188 . 21 ASN CB C 40.336 0.2 1 189 . 21 ASN N N 115.290 0.2 1 190 . 21 ASN ND2 N 114.193 0.2 1 191 . 22 ASP H H 8.740 0.02 1 192 . 22 ASP HA H 4.519 0.02 1 193 . 22 ASP HB2 H 2.861 0.02 2 194 . 22 ASP HB3 H 2.373 0.02 2 195 . 22 ASP C C 176.742 0.2 1 196 . 22 ASP CA C 53.736 0.2 1 197 . 22 ASP CB C 40.965 0.2 1 198 . 22 ASP N N 116.804 0.2 1 199 . 23 LEU H H 8.797 0.02 1 200 . 23 LEU HA H 3.757 0.02 1 201 . 23 LEU HB2 H 2.072 0.02 1 202 . 23 LEU HB3 H 1.664 0.02 1 203 . 23 LEU HG H 1.472 0.02 1 204 . 23 LEU HD1 H 1.037 0.02 1 205 . 23 LEU HD2 H 1.085 0.02 1 206 . 23 LEU C C 175.868 0.2 1 207 . 23 LEU CA C 55.585 0.2 1 208 . 23 LEU CB C 39.226 0.2 1 209 . 23 LEU CG C 27.163 0.2 1 210 . 23 LEU CD1 C 26.422 0.2 1 211 . 23 LEU CD2 C 23.399 0.2 1 212 . 23 LEU N N 117.199 0.2 1 213 . 24 ASN H H 8.622 0.02 1 214 . 24 ASN HA H 4.938 0.02 1 215 . 24 ASN HB2 H 3.028 0.02 2 216 . 24 ASN HB3 H 2.446 0.02 2 217 . 24 ASN C C 176.927 0.2 1 218 . 24 ASN CA C 51.006 0.2 1 219 . 24 ASN CB C 35.706 0.2 1 220 . 24 ASN ND2 N 111.35 0.2 1 221 . 24 ASN HD21 H 7.486 0.02 1 222 . 24 ASN HD22 H 6.891 0.02 1 223 . 24 ASN N N 116.821 0.2 1 224 . 25 TYR H H 8.181 0.02 1 225 . 25 TYR HA H 3.708 0.02 1 226 . 25 TYR HB2 H 2.945 0.02 2 227 . 25 TYR HB3 H 2.790 0.02 2 228 . 25 TYR HD1 H 6.793 0.02 1 229 . 25 TYR HD2 H 6.793 0.02 1 230 . 25 TYR HE1 H 6.33 0.02 1 231 . 25 TYR HE2 H 6.33 0.02 1 232 . 25 TYR CD1 C 132.5 0.2 1 233 . 25 TYR CD2 C 132.5 0.2 1 234 . 25 TYR CE1 C 117.4 0.2 1 235 . 25 TYR CE2 C 117.4 0.2 1 236 . 25 TYR C C 176.758 0.2 1 237 . 25 TYR CA C 63.097 0.2 1 238 . 25 TYR CB C 37.871 0.2 1 239 . 25 TYR N N 126.893 0.2 1 240 . 26 GLN HE21 H 7.670 0.02 1 241 . 26 GLN H H 8.605 0.02 1 242 . 26 GLN HA H 4.231 0.02 1 243 . 26 GLN HB2 H 2.262 0.02 1 244 . 26 GLN HB3 H 2.262 0.02 1 245 . 26 GLN HG2 H 2.550 0.02 2 246 . 26 GLN HG3 H 2.496 0.02 2 247 . 26 GLN HE22 H 7.018 0.02 1 248 . 26 GLN C C 179.263 0.2 1 249 . 26 GLN CA C 59.812 0.2 1 250 . 26 GLN CB C 27.831 0.2 1 251 . 26 GLN CG C 34.335 0.2 1 252 . 26 GLN N N 120.329 0.2 1 253 . 26 GLN NE2 N 112.984 0.2 1 254 . 27 TRP H H 7.669 0.02 1 255 . 27 TRP HA H 3.990 0.02 1 256 . 27 TRP HB2 H 3.228 0.02 2 257 . 27 TRP HB3 H 2.966 0.02 2 258 . 27 TRP HD1 H 7.326 0.02 1 259 . 27 TRP HE1 H 10.253 0.02 1 260 . 27 TRP HZ2 H 7.409 0.02 1 261 . 27 TRP C C 177.340 0.2 1 262 . 27 TRP CA C 61.121 0.2 1 263 . 27 TRP CB C 29.541 0.2 1 264 . 27 TRP CD1 C 127.836 0.2 1 265 . 27 TRP CZ2 C 115.147 0.2 1 266 . 27 TRP CH2 C 124.6 0.2 1 267 . 27 TRP HH2 H 7.144 0.02 1 268 . 27 TRP CZ3 C 122.0 0.2 1 269 . 27 TRP HZ3 H 7.197 0.02 1 270 . 27 TRP CE3 C 120.76 0.2 1 271 . 27 TRP HE3 H 7.470 0.02 1 272 . 27 TRP N N 120.919 0.2 1 273 . 27 TRP NE1 N 130.937 0.2 1 274 . 28 PHE H H 7.393 0.02 1 275 . 28 PHE HA H 3.870 0.02 1 276 . 28 PHE HB2 H 2.850 0.02 2 277 . 28 PHE HB3 H 2.693 0.02 2 278 . 28 PHE CE1 C 131.9 0.2 1 279 . 28 PHE CE2 C 131.9 0.2 1 280 . 28 PHE HE1 H 7.066 0.02 1 281 . 28 PHE HE2 H 7.066 0.02 1 282 . 28 PHE CD1 C 129.5 0.2 1 283 . 28 PHE CD2 C 129.5 0.2 1 284 . 28 PHE HD1 H 5.690 0.02 1 285 . 28 PHE HD2 H 5.690 0.02 1 286 . 28 PHE C C 176.520 0.2 1 287 . 28 PHE CA C 60.423 0.2 1 288 . 28 PHE CB C 40.356 0.2 1 289 . 28 PHE N N 119.654 0.2 1 290 . 29 TYR H H 8.927 0.02 1 291 . 29 TYR HA H 4.011 0.02 1 292 . 29 TYR HB2 H 3.076 0.02 2 293 . 29 TYR HB3 H 2.943 0.02 2 294 . 29 TYR HD1 H 7.02 0.02 1 295 . 29 TYR HD2 H 7.02 0.02 1 296 . 29 TYR HE1 H 7.052 0.02 1 297 . 29 TYR HE2 H 7.052 0.02 1 298 . 29 TYR CD1 C 132.8 0.2 1 299 . 29 TYR CD2 C 132.8 0.2 1 300 . 29 TYR CE1 C 118.4 0.2 1 301 . 29 TYR CE2 C 118.4 0.2 1 302 . 29 TYR C C 179.514 0.2 1 303 . 29 TYR CA C 60.763 0.2 1 304 . 29 TYR CB C 36.784 0.2 1 305 . 29 TYR N N 117.887 0.2 1 306 . 30 SER H H 7.585 0.02 1 307 . 30 SER HA H 4.106 0.02 1 308 . 30 SER HB2 H 3.888 0.02 2 309 . 30 SER HB3 H 3.821 0.02 2 310 . 30 SER C C 176.988 0.2 1 311 . 30 SER CA C 61.884 0.2 1 312 . 30 SER CB C 62.837 0.2 1 313 . 30 SER N N 115.380 0.2 1 314 . 31 GLU H H 8.215 0.02 1 315 . 31 GLU HA H 3.870 0.02 1 316 . 31 GLU HB2 H 1.378 0.02 2 317 . 31 GLU HB3 H 1.213 0.02 2 318 . 31 GLU HG2 H 1.236 0.02 2 319 . 31 GLU HG3 H 1.433 0.02 2 320 . 31 GLU CG C 34.48 0.2 1 321 . 31 GLU C C 180.421 0.2 1 322 . 31 GLU CA C 58.314 0.2 1 323 . 31 GLU CB C 28.756 0.2 1 324 . 31 GLU N N 123.629 0.2 1 325 . 32 LEU H H 8.387 0.02 1 326 . 32 LEU HA H 3.890 0.02 1 327 . 32 LEU HB2 H 1.869 0.02 2 328 . 32 LEU HB3 H 0.981 0.02 2 329 . 32 LEU HG H 1.222 0.02 1 330 . 32 LEU HD1 H 0.352 0.02 1 331 . 32 LEU HD2 H 0.622 0.02 1 332 . 32 LEU C C 179.564 0.2 1 333 . 32 LEU CA C 58.337 0.2 1 334 . 32 LEU CB C 40.296 0.2 1 335 . 32 LEU CG C 25.368 0.2 1 336 . 32 LEU CD1 C 28.060 0.2 1 337 . 32 LEU CD2 C 22.167 0.2 1 338 . 32 LEU N N 119.659 0.2 1 339 . 33 LYS H H 7.931 0.02 1 340 . 33 LYS HA H 4.047 0.02 1 341 . 33 LYS HB2 H 1.986 0.02 2 342 . 33 LYS HB3 H 1.819 0.02 2 343 . 33 LYS C C 180.726 0.2 1 344 . 33 LYS CA C 60.135 0.2 1 345 . 33 LYS CB C 32.242 0.2 1 346 . 33 LYS CG C 25.184 0.2 1 347 . 33 LYS CD C 29.603 0.2 1 348 . 33 LYS CE C 44.389 0.2 1 349 . 33 LYS N N 120.615 0.2 1 350 . 34 ARG H H 8.025 0.02 1 351 . 34 ARG HA H 4.003 0.02 1 352 . 34 ARG HB2 H 1.753 0.02 2 353 . 34 ARG HB3 H 1.637 0.02 2 354 . 34 ARG HG2 H 1.374 0.02 2 355 . 34 ARG HG3 H 1.507 0.02 2 356 . 34 ARG HD2 H 2.984 0.02 2 357 . 34 ARG HD3 H 2.983 0.02 2 358 . 34 ARG HE H 7.295 0.02 1 359 . 34 ARG C C 177.161 0.2 1 360 . 34 ARG CA C 58.796 0.2 1 361 . 34 ARG CB C 30.326 0.2 1 362 . 34 ARG CG C 27.946 0.2 1 363 . 34 ARG CD C 43.289 0.2 1 364 . 34 ARG N N 120.314 0.2 1 365 . 34 ARG NE N 83.532 0.2 1 366 . 35 HIS H H 7.452 0.02 1 367 . 35 HIS HA H 4.564 0.02 1 368 . 35 HIS HB2 H 3.757 0.02 2 369 . 35 HIS HB3 H 2.788 0.02 2 370 . 35 HIS HD2 H 7.354 0.02 1 371 . 35 HIS CD2 C 120.9 0.2 1 372 . 35 HIS HE1 H 8.584 0.02 1 373 . 35 HIS CE1 C 136.6 0.2 1 374 . 35 HIS C C 173.102 0.2 1 375 . 35 HIS CA C 56.069 0.2 1 376 . 35 HIS CB C 27.993 0.2 1 377 . 35 HIS N N 113.753 0.2 1 378 . 36 ASN H H 7.931 0.02 1 379 . 36 ASN HA H 4.474 0.02 1 380 . 36 ASN HB2 H 3.198 0.02 2 381 . 36 ASN HB3 H 2.971 0.02 2 382 . 36 ASN HD21 H 7.524 0.02 1 383 . 36 ASN HD22 H 6.936 0.02 1 384 . 36 ASN C C 173.960 0.2 1 385 . 36 ASN CA C 54.508 0.2 1 386 . 36 ASN CB C 37.094 0.2 1 387 . 36 ASN N N 112.629 0.2 1 388 . 36 ASN ND2 N 112.761 0.2 1 389 . 37 VAL H H 7.758 0.02 1 390 . 37 VAL HA H 3.779 0.02 1 391 . 37 VAL HB H 1.723 0.02 1 392 . 37 VAL HG2 H 0.974 0.02 1 393 . 37 VAL HG1 H 0.818 0.02 1 394 . 37 VAL C C 175.769 0.2 1 395 . 37 VAL CA C 64.282 0.2 1 396 . 37 VAL CB C 32.616 0.2 1 397 . 37 VAL CG2 C 24.612 0.2 1 398 . 37 VAL CG1 C 21.37 0.2 1 399 . 37 VAL N N 117.184 0.2 1 400 . 38 SER H H 9.260 0.02 1 401 . 38 SER HA H 4.652 0.02 1 402 . 38 SER HB2 H 3.711 0.02 2 403 . 38 SER HB3 H 3.668 0.02 2 404 . 38 SER C C 175.342 0.2 1 405 . 38 SER CA C 58.743 0.2 1 406 . 38 SER CB C 63.177 0.2 1 407 . 38 SER N N 120.976 0.2 1 408 . 39 HIS H H 8.163 0.02 1 409 . 39 HIS HA H 5.434 0.02 1 410 . 39 HIS HB2 H 3.515 0.02 2 411 . 39 HIS HB3 H 3.030 0.02 2 412 . 39 HIS C C 171.417 0.2 1 413 . 39 HIS CA C 54.974 0.2 1 414 . 39 HIS CB C 31.205 0.2 1 415 . 39 HIS N N 113.621 0.2 1 416 . 39 HIS HD2 H 6.567 0.02 1 417 . 39 HIS HE1 H 8.429 0.02 1 418 . 39 HIS CD2 C 118.9 0.2 1 419 . 39 HIS CE1 C 138.8 0.2 1 420 . 40 TYR H H 8.531 0.02 1 421 . 40 TYR HA H 5.699 0.02 1 422 . 40 TYR HB2 H 3.069 0.02 2 423 . 40 TYR HB3 H 2.784 0.02 2 424 . 40 TYR C C 171.539 0.2 1 425 . 40 TYR CA C 55.983 0.2 1 426 . 40 TYR CB C 43.155 0.2 1 427 . 40 TYR N N 113.153 0.2 1 428 . 40 TYR HD1 H 6.793 0.02 1 429 . 40 TYR HD2 H 6.793 0.02 1 430 . 40 TYR HE1 H 6.315 0.02 1 431 . 40 TYR HE2 H 6.315 0.02 1 432 . 40 TYR CD1 C 132.5 0.2 1 433 . 40 TYR CD2 C 132.5 0.2 1 434 . 40 TYR CE1 C 117.4 0.2 1 435 . 40 TYR CE2 C 117.4 0.2 1 436 . 41 ILE H H 9.142 0.02 1 437 . 41 ILE HA H 4.829 0.02 1 438 . 41 ILE HB H 1.625 0.02 1 439 . 41 ILE HG12 H 1.578 0.02 2 440 . 41 ILE HG13 H 1.139 0.02 2 441 . 41 ILE HG2 H 0.251 0.02 1 442 . 41 ILE HD1 H 0.901 0.02 1 443 . 41 ILE C C 173.107 0.2 1 444 . 41 ILE CA C 60.513 0.2 1 445 . 41 ILE CB C 41.311 0.2 1 446 . 41 ILE CG1 C 28.624 0.2 1 447 . 41 ILE CG2 C 19.479 0.2 1 448 . 41 ILE CD1 C 15.330 0.2 1 449 . 41 ILE N N 120.729 0.2 1 450 . 42 TYR H H 9.319 0.02 1 451 . 42 TYR HA H 4.453 0.02 1 452 . 42 TYR HB2 H 2.040 0.02 2 453 . 42 TYR HB3 H 1.487 0.02 2 454 . 42 TYR C C 174.581 0.2 1 455 . 42 TYR CA C 55.997 0.2 1 456 . 42 TYR CB C 41.835 0.2 1 457 . 42 TYR N N 131.706 0.2 1 458 . 42 TYR HD1 H 6.220 0.02 1 459 . 42 TYR HD2 H 6.220 0.02 1 460 . 42 TYR HE1 H 6.512 0.02 1 461 . 42 TYR HE2 H 6.512 0.02 1 462 . 42 TYR CD1 C 133.5 0.2 1 463 . 42 TYR CD2 C 133.5 0.2 1 464 . 42 TYR CE1 C 116.6 0.2 1 465 . 42 TYR CE2 C 116.6 0.2 1 466 . 43 TYR H H 8.215 0.02 1 467 . 43 TYR HA H 4.044 0.02 1 468 . 43 TYR HB2 H 2.887 0.02 2 469 . 43 TYR HB3 H 2.703 0.02 2 470 . 43 TYR C C 175.715 0.2 1 471 . 43 TYR CA C 58.786 0.2 1 472 . 43 TYR CB C 37.086 0.2 1 473 . 43 TYR HD1 H 6.757 0.02 1 474 . 43 TYR HD2 H 6.757 0.02 1 475 . 43 TYR HE1 H 6.370 0.02 1 476 . 43 TYR HE2 H 6.370 0.02 1 477 . 43 TYR CD1 C 133.1 0.2 1 478 . 43 TYR CD2 C 133.1 0.2 1 479 . 43 TYR CE1 C 117.830 0.2 1 480 . 43 TYR CE2 C 117.830 0.2 1 481 . 43 TYR N N 126.539 0.2 1 482 . 44 LEU H H 7.570 0.02 1 483 . 44 LEU HA H 3.648 0.02 1 484 . 44 LEU HB2 H 1.601 0.02 2 485 . 44 LEU HB3 H 1.463 0.02 2 486 . 44 LEU HG H 1.602 0.02 1 487 . 44 LEU HD1 H 1.083 0.02 1 488 . 44 LEU HD2 H 0.958 0.02 1 489 . 44 LEU C C 178.782 0.2 1 490 . 44 LEU CA C 61.260 0.2 1 491 . 44 LEU CB C 42.777 0.2 1 492 . 44 LEU CG C 30.560 0.2 1 493 . 44 LEU CD1 C 26.788 0.2 1 494 . 44 LEU CD2 C 25.980 0.2 1 495 . 44 LEU N N 126.182 0.2 1 496 . 45 ALA H H 9.686 0.02 1 497 . 45 ALA HA H 4.167 0.02 1 498 . 45 ALA HB H 1.526 0.02 1 499 . 45 ALA C C 178.552 0.2 1 500 . 45 ALA CA C 56.300 0.2 1 501 . 45 ALA CB C 18.988 0.2 1 502 . 45 ALA N N 120.961 0.2 1 503 . 46 THR H H 6.710 0.02 1 504 . 46 THR HA H 4.075 0.02 1 505 . 46 THR HB H 4.016 0.02 1 506 . 46 THR HG2 H 1.114 0.02 1 507 . 46 THR C C 176.147 0.2 1 508 . 46 THR CA C 60.634 0.2 1 509 . 46 THR CB C 71.059 0.2 1 510 . 46 THR CG2 C 21.969 0.2 1 511 . 46 THR HG1 H 5.225 0.02 1 512 . 46 THR N N 99.826 0.2 1 513 . 47 GLU H H 8.111 0.02 1 514 . 47 GLU HA H 3.469 0.02 1 515 . 47 GLU HB2 H 2.410 0.02 2 516 . 47 GLU HB3 H 2.080 0.02 2 517 . 47 GLU HG2 H 2.22 0.02 2 518 . 47 GLU HG3 H 2.13 0.02 2 519 . 47 GLU C C 174.286 0.2 1 520 . 47 GLU CA C 58.492 0.2 1 521 . 47 GLU CB C 27.463 0.2 1 522 . 47 GLU CG C 38.909 0.2 1 523 . 47 GLU N N 114.270 0.2 1 524 . 48 ASN H H 7.402 0.02 1 525 . 48 ASN HA H 4.803 0.02 1 526 . 48 ASN HB2 H 2.583 0.02 2 527 . 48 ASN HB3 H 2.455 0.02 2 528 . 48 ASN HD21 H 7.128 0.02 1 529 . 48 ASN HD22 H 6.841 0.02 1 530 . 48 ASN C C 174.821 0.2 1 531 . 48 ASN CA C 52.739 0.2 1 532 . 48 ASN CB C 37.814 0.2 1 533 . 48 ASN N N 116.241 0.2 1 534 . 48 ASN ND2 N 109.947 0.2 1 535 . 49 VAL H H 8.572 0.02 1 536 . 49 VAL HA H 4.981 0.02 1 537 . 49 VAL HB H 1.311 0.02 1 538 . 49 VAL HG1 H 0.392 0.02 1 539 . 49 VAL HG2 H 0.159 0.02 1 540 . 49 VAL C C 175.580 0.2 1 541 . 49 VAL CA C 60.214 0.2 1 542 . 49 VAL CB C 34.716 0.2 1 543 . 49 VAL CG1 C 22.494 0.2 1 544 . 49 VAL CG2 C 20.870 0.2 1 545 . 49 VAL N N 119.907 0.2 1 546 . 50 HIS H H 9.400 0.02 1 547 . 50 HIS HA H 5.101 0.02 1 548 . 50 HIS HB2 H 3.242 0.02 2 549 . 50 HIS HB3 H 3.183 0.02 2 550 . 50 HIS C C 173.563 0.2 1 551 . 50 HIS CA C 53.383 0.2 1 552 . 50 HIS CB C 30.520 0.2 1 553 . 50 HIS N N 126.451 0.2 1 554 . 50 HIS HD2 H 6.807 0.02 1 555 . 50 HIS HE1 H 8.468 0.02 1 556 . 50 HIS CD2 C 118.0 0.2 1 557 . 50 HIS CE1 C 137.3 0.2 1 558 . 51 ILE H H 9.325 0.02 1 559 . 51 ILE HA H 4.088 0.02 1 560 . 51 ILE HB H 1.611 0.02 1 561 . 51 ILE HG12 H 1.294 0.02 2 562 . 51 ILE HG13 H 0.403 0.02 2 563 . 51 ILE HG2 H 0.257 0.02 1 564 . 51 ILE HD1 H 0.167 0.02 1 565 . 51 ILE C C 173.608 0.2 1 566 . 51 ILE CA C 61.822 0.2 1 567 . 51 ILE CB C 39.092 0.2 1 568 . 51 ILE CG1 C 28.631 0.2 1 569 . 51 ILE CG2 C 18.652 0.2 1 570 . 51 ILE CD1 C 14.798 0.2 1 571 . 51 ILE N N 127.908 0.2 1 572 . 52 VAL H H 8.764 0.02 1 573 . 52 VAL HA H 4.432 0.02 1 574 . 52 VAL HB H 0.782 0.02 1 575 . 52 VAL HG1 H 0.886 0.02 1 576 . 52 VAL HG2 H 0.582 0.02 1 577 . 52 VAL C C 175.900 0.2 1 578 . 52 VAL CA C 61.826 0.2 1 579 . 52 VAL CB C 32.102 0.2 1 580 . 52 VAL CG1 C 20.906 0.2 1 581 . 52 VAL CG2 C 20.733 0.2 1 582 . 52 VAL N N 127.336 0.2 1 583 . 53 LEU H H 8.813 0.02 1 584 . 53 LEU HA H 4.878 0.02 1 585 . 53 LEU HB2 H 2.099 0.02 2 586 . 53 LEU HB3 H 1.693 0.02 2 587 . 53 LEU HG H 1.543 0.02 1 588 . 53 LEU HD1 H 0.942 0.02 1 589 . 53 LEU HD2 H 0.784 0.02 1 590 . 53 LEU C C 179.213 0.2 1 591 . 53 LEU CA C 54.264 0.2 1 592 . 53 LEU CB C 41.868 0.2 1 593 . 53 LEU CG C 27.710 0.2 1 594 . 53 LEU CD1 C 25.511 0.2 1 595 . 53 LEU CD2 C 23.878 0.2 1 596 . 53 LEU N N 127.461 0.2 1 597 . 54 LYS H H 8.653 0.02 1 598 . 54 LYS HA H 3.969 0.02 1 599 . 54 LYS HB2 H 1.845 0.02 2 600 . 54 LYS HB3 H 1.744 0.02 2 601 . 54 LYS HG2 H 1.35 0.02 1 602 . 54 LYS HG3 H 1.35 0.02 1 603 . 54 LYS C C 176.288 0.2 1 604 . 54 LYS CA C 59.486 0.2 1 605 . 54 LYS CB C 32.167 0.2 1 606 . 54 LYS CG C 25.633 0.2 1 607 . 54 LYS CD C 29.285 0.2 1 608 . 54 LYS CE C 41.810 0.2 1 609 . 54 LYS N N 121.200 0.2 1 610 . 55 ASN H H 7.782 0.02 1 611 . 55 ASN HA H 4.512 0.02 1 612 . 55 ASN HB2 H 3.174 0.02 2 613 . 55 ASN HB3 H 2.710 0.02 2 614 . 55 ASN ND2 N 108.5 0.2 1 615 . 55 ASN HD21 H 7.420 0.02 1 616 . 55 ASN HD22 H 6.595 0.02 1 617 . 55 ASN C C 175.390 0.2 1 618 . 55 ASN CA C 52.504 0.2 1 619 . 55 ASN CB C 37.043 0.2 1 620 . 55 ASN N N 114.961 0.2 1 621 . 56 ASP H H 8.109 0.02 1 622 . 56 ASP HA H 4.192 0.02 1 623 . 56 ASP HB2 H 3.050 0.02 2 624 . 56 ASP HB3 H 2.905 0.02 2 625 . 56 ASP C C 175.538 0.2 1 626 . 56 ASP CA C 56.309 0.2 1 627 . 56 ASP CB C 38.595 0.2 1 628 . 56 ASP N N 112.003 0.2 1 629 . 57 ASN H H 7.925 0.02 1 630 . 57 ASN HA H 4.703 0.02 1 631 . 57 ASN HB2 H 2.897 0.02 2 632 . 57 ASN HB3 H 2.757 0.02 2 633 . 57 ASN C C 174.117 0.2 1 634 . 57 ASN CA C 53.489 0.2 1 635 . 57 ASN CB C 38.933 0.2 1 636 . 57 ASN N N 118.749 0.2 1 637 . 57 ASN HD21 H 7.169 0.02 1 638 . 57 ASN HD22 H 7.021 0.02 1 639 . 57 ASN ND2 N 111.127 0.2 1 640 . 58 THR H H 8.328 0.02 1 641 . 58 THR HA H 5.305 0.02 1 642 . 58 THR HB H 3.765 0.02 1 643 . 58 THR HG2 H 0.907 0.02 1 644 . 58 THR C C 174.329 0.2 1 645 . 58 THR CA C 60.694 0.2 1 646 . 58 THR CB C 71.557 0.2 1 647 . 58 THR CG2 C 21.471 0.2 1 648 . 58 THR N N 113.429 0.2 1 649 . 59 VAL H H 9.041 0.02 1 650 . 59 VAL HA H 4.036 0.02 1 651 . 59 VAL HB H 1.448 0.02 1 652 . 59 VAL HG1 H 0.766 0.02 1 653 . 59 VAL HG2 H 0.769 0.02 1 654 . 59 VAL C C 173.482 0.2 1 655 . 59 VAL CA C 61.392 0.2 1 656 . 59 VAL CB C 34.854 0.2 1 657 . 59 VAL CG1 C 21.142 0.2 1 658 . 59 VAL CG2 C 20.926 0.2 1 659 . 59 VAL N N 125.682 0.2 1 660 . 60 LEU H H 8.468 0.02 1 661 . 60 LEU HA H 4.990 0.02 1 662 . 60 LEU HB2 H 1.399 0.02 2 663 . 60 LEU HB3 H 1.397 0.02 2 664 . 60 LEU HG H 1.200 0.02 1 665 . 60 LEU HD1 H 0.578 0.02 1 666 . 60 LEU HD2 H 0.497 0.02 1 667 . 60 LEU C C 175.794 0.2 1 668 . 60 LEU CA C 53.302 0.2 1 669 . 60 LEU CB C 42.886 0.2 1 670 . 60 LEU CG C 27.301 0.2 1 671 . 60 LEU CD1 C 23.909 0.2 1 672 . 60 LEU CD2 C 24.252 0.2 1 673 . 60 LEU N N 128.810 0.2 1 674 . 61 LEU H H 8.840 0.02 1 675 . 61 LEU HA H 4.572 0.02 1 676 . 61 LEU HB2 H 1.365 0.02 2 677 . 61 LEU HB3 H 1.300 0.02 2 678 . 61 LEU HG H 1.211 0.02 1 679 . 61 LEU HD1 H 0.297 0.02 1 680 . 61 LEU HD2 H 0.698 0.02 1 681 . 61 LEU C C 176.347 0.2 1 682 . 61 LEU CA C 52.775 0.2 1 683 . 61 LEU CB C 41.728 0.2 1 684 . 61 LEU CG C 26.506 0.2 1 685 . 61 LEU CD1 C 25.207 0.2 1 686 . 61 LEU CD2 C 23.890 0.2 1 687 . 61 LEU N N 122.844 0.2 1 688 . 62 LYS H H 8.463 0.02 1 689 . 62 LYS HA H 4.298 0.02 1 690 . 62 LYS HB2 H 1.677 0.02 2 691 . 62 LYS HB3 H 1.614 0.02 2 692 . 62 LYS HG2 H 1.360 0.02 2 693 . 62 LYS HG3 H 1.244 0.02 2 694 . 62 LYS C C 177.321 0.2 1 695 . 62 LYS CA C 55.536 0.2 1 696 . 62 LYS CB C 33.327 0.2 1 697 . 62 LYS CG C 24.993 0.2 1 698 . 62 LYS CD C 29.146 0.2 1 699 . 62 LYS CE C 42.089 0.2 1 700 . 62 LYS N N 124.272 0.2 1 701 . 63 GLY H H 8.495 0.02 1 702 . 63 GLY HA2 H 3.979 0.02 2 703 . 63 GLY HA3 H 3.926 0.02 2 704 . 63 GLY C C 174.256 0.2 1 705 . 63 GLY CA C 45.178 0.2 1 706 . 63 GLY N N 111.645 0.2 1 707 . 64 LEU H H 8.251 0.02 1 708 . 64 LEU HA H 4.260 0.02 1 709 . 64 LEU HB2 H 1.643 0.02 2 710 . 64 LEU HB3 H 1.605 0.02 2 711 . 64 LEU HG H 1.541 0.02 1 712 . 64 LEU HD1 H 0.864 0.02 1 713 . 64 LEU HD2 H 0.791 0.02 1 714 . 64 LEU C C 176.893 0.2 1 715 . 64 LEU CA C 54.948 0.2 1 716 . 64 LEU CB C 41.875 0.2 1 717 . 64 LEU CG C 26.977 0.2 1 718 . 64 LEU CD1 C 25.255 0.2 1 719 . 64 LEU CD2 C 23.312 0.2 1 720 . 64 LEU N N 120.096 0.2 1 721 . 65 LYS H H 8.319 0.02 1 722 . 65 LYS HA H 4.177 0.02 1 723 . 65 LYS HB2 H 1.856 0.02 2 724 . 65 LYS HB3 H 1.781 0.02 2 725 . 65 LYS C C 175.960 0.2 1 726 . 65 LYS CA C 56.551 0.2 1 727 . 65 LYS CB C 31.902 0.2 1 728 . 65 LYS CG C 24.852 0.2 1 729 . 65 LYS CD C 28.864 0.2 1 730 . 65 LYS CE C 42.191 0.2 1 731 . 65 LYS N N 119.450 0.2 1 732 . 66 ASN H H 8.382 0.02 1 733 . 66 ASN HA H 4.736 0.02 1 734 . 66 ASN HB2 H 2.624 0.02 2 735 . 66 ASN HB3 H 2.784 0.02 2 736 . 66 ASN HD21 H 7.714 0.02 1 737 . 66 ASN HD22 H 6.815 0.02 1 738 . 66 ASN C C 174.689 0.2 1 739 . 66 ASN CA C 52.609 0.2 1 740 . 66 ASN CB C 38.478 0.2 1 741 . 66 ASN N N 120.038 0.2 1 742 . 66 ASN ND2 N 113.0 0.2 1 743 . 67 ILE H H 8.241 0.02 1 744 . 67 ILE HA H 4.397 0.02 1 745 . 67 ILE HB H 1.743 0.02 1 746 . 67 ILE HG12 H 1.388 0.02 2 747 . 67 ILE HG13 H 1.160 0.02 2 748 . 67 ILE HG2 H 0.748 0.02 1 749 . 67 ILE HD1 H 0.741 0.02 1 750 . 67 ILE C C 176.645 0.2 1 751 . 67 ILE CA C 60.849 0.2 1 752 . 67 ILE CB C 38.554 0.2 1 753 . 67 ILE CG1 C 27.718 0.2 1 754 . 67 ILE CG2 C 17.492 0.2 1 755 . 67 ILE CD1 C 12.391 0.2 1 756 . 67 ILE N N 122.807 0.2 1 757 . 68 VAL H H 7.952 0.02 1 758 . 68 VAL HA H 4.330 0.02 1 759 . 68 VAL HB H 1.879 0.02 1 760 . 68 VAL HG1 H 0.766 0.02 1 761 . 68 VAL HG2 H 0.751 0.02 1 762 . 68 VAL C C 174.802 0.2 1 763 . 68 VAL CA C 60.425 0.2 1 764 . 68 VAL CB C 34.781 0.2 1 765 . 68 VAL CG1 C 21.550 0.2 1 766 . 68 VAL CG2 C 21.011 0.2 1 767 . 68 VAL N N 124.319 0.2 1 768 . 69 SER H H 8.326 0.02 1 769 . 69 SER HA H 4.409 0.02 1 770 . 69 SER HB2 H 3.692 0.02 2 771 . 69 SER HB3 H 3.670 0.02 2 772 . 69 SER C C 173.647 0.2 1 773 . 69 SER CA C 57.837 0.2 1 774 . 69 SER CB C 63.543 0.2 1 775 . 69 SER N N 119.490 0.2 1 776 . 70 VAL H H 8.409 0.02 1 777 . 70 VAL HA H 4.001 0.02 1 778 . 70 VAL HB H 2.040 0.02 1 779 . 70 VAL HG1 H 1.025 0.02 1 780 . 70 VAL HG2 H 0.926 0.02 1 781 . 70 VAL C C 176.450 0.2 1 782 . 70 VAL CA C 62.031 0.2 1 783 . 70 VAL CB C 32.743 0.2 1 784 . 70 VAL CG1 C 21.238 0.2 1 785 . 70 VAL CG2 C 21.268 0.2 1 786 . 70 VAL N N 125.675 0.2 1 787 . 71 LYS H H 7.868 0.02 1 788 . 71 LYS HA H 4.106 0.02 1 789 . 71 LYS C C 176.054 0.2 1 790 . 71 LYS CA C 55.649 0.2 1 791 . 71 LYS CB C 32.757 0.2 1 792 . 71 LYS CG C 25.35 0.2 1 793 . 71 LYS CD C 28.47 0.2 1 794 . 71 LYS CE C 42.15 0.2 1 795 . 71 LYS HB2 H 1.750 0.02 1 796 . 71 LYS HB3 H 1.750 0.02 1 797 . 71 LYS HG2 H 1.592 0.02 1 798 . 71 LYS HG3 H 1.592 0.02 1 799 . 71 LYS N N 127.522 0.2 1 800 . 72 PHE H H 8.386 0.02 1 801 . 72 PHE HA H 4.792 0.02 1 802 . 72 PHE HB2 H 3.138 0.02 2 803 . 72 PHE HB3 H 2.891 0.02 2 804 . 72 PHE C C 175.771 0.2 1 805 . 72 PHE CA C 57.035 0.2 1 806 . 72 PHE CB C 37.648 0.2 1 807 . 72 PHE HD2 H 7.17 0.02 1 808 . 72 PHE HD1 H 7.17 0.02 1 809 . 72 PHE N N 120.911 0.2 1 810 . 73 SER H H 7.611 0.02 1 811 . 73 SER HA H 4.470 0.02 1 812 . 73 SER HB2 H 3.587 0.02 2 813 . 73 SER HB3 H 3.586 0.02 2 814 . 73 SER C C 172.603 0.2 1 815 . 73 SER CA C 56.794 0.2 1 816 . 73 SER CB C 65.090 0.2 1 817 . 73 SER N N 117.717 0.2 1 818 . 74 LYS H H 8.289 0.02 1 819 . 74 LYS HA H 4.555 0.02 1 820 . 74 LYS HB2 H 1.727 0.02 1 821 . 74 LYS HB3 H 1.727 0.02 1 822 . 74 LYS HG2 H 1.466 0.02 2 823 . 74 LYS HG3 H 1.370 0.02 2 824 . 74 LYS C C 176.411 0.2 1 825 . 74 LYS CA C 55.592 0.2 1 826 . 74 LYS CB C 33.676 0.2 1 827 . 74 LYS CG C 25.389 0.2 1 828 . 74 LYS CD C 29.747 0.2 1 829 . 74 LYS CE C 42.301 0.2 1 830 . 74 LYS N N 121.462 0.2 1 831 . 75 ASP H H 8.364 0.02 1 832 . 75 ASP HA H 4.724 0.02 1 833 . 75 ASP HB2 H 2.890 0.02 2 834 . 75 ASP HB3 H 2.401 0.02 2 835 . 75 ASP C C 175.450 0.2 1 836 . 75 ASP CA C 52.825 0.2 1 837 . 75 ASP CB C 40.777 0.2 1 838 . 75 ASP N N 122.592 0.2 1 839 . 76 ARG H H 8.374 0.02 1 840 . 76 ARG HA H 3.621 0.02 1 841 . 76 ARG HB2 H 1.801 0.02 2 842 . 76 ARG HB3 H 1.778 0.02 2 843 . 76 ARG HG2 H 1.638 0.02 2 844 . 76 ARG HG3 H 1.590 0.02 2 845 . 76 ARG HD2 H 3.327 0.02 2 846 . 76 ARG HD3 H 3.286 0.02 2 847 . 76 ARG HE H 7.412 0.02 1 848 . 76 ARG C C 178.018 0.2 1 849 . 76 ARG CA C 59.450 0.2 1 850 . 76 ARG CB C 30.177 0.2 1 851 . 76 ARG CD C 43.637 0.2 1 852 . 76 ARG N N 124.371 0.2 1 853 . 76 ARG NE N 84.965 0.2 1 854 . 77 HIS H H 8.560 0.02 1 855 . 77 HIS HA H 4.340 0.02 1 856 . 77 HIS HB2 H 3.271 0.02 2 857 . 77 HIS HB3 H 3.243 0.02 2 858 . 77 HIS C C 176.545 0.2 1 859 . 77 HIS CA C 58.197 0.2 1 860 . 77 HIS CB C 27.272 0.2 1 861 . 77 HIS N N 117.644 0.2 1 862 . 78 LEU H H 7.670 0.02 1 863 . 78 LEU HA H 3.991 0.02 1 864 . 78 LEU HB2 H 1.555 0.02 2 865 . 78 LEU HB3 H 1.379 0.02 2 866 . 78 LEU HG H 1.115 0.02 1 867 . 78 LEU HD1 H 0.726 0.02 1 868 . 78 LEU HD2 H 0.736 0.02 1 869 . 78 LEU C C 179.875 0.2 1 870 . 78 LEU CA C 56.640 0.2 1 871 . 78 LEU CB C 41.117 0.2 1 872 . 78 LEU CD1 C 22.880 0.2 1 873 . 78 LEU CD2 C 25.791 0.2 1 874 . 78 LEU N N 121.119 0.2 1 875 . 79 ILE H H 7.322 0.02 1 876 . 79 ILE HA H 2.830 0.02 1 877 . 79 ILE HB H 1.111 0.02 1 878 . 79 ILE HG12 H 1.560 0.02 2 879 . 79 ILE HG13 H 0.150 0.02 2 880 . 79 ILE HG2 H -0.356 0.02 1 881 . 79 ILE HD1 H 0.420 0.02 1 882 . 79 ILE C C 176.439 0.2 1 883 . 79 ILE CA C 65.683 0.2 1 884 . 79 ILE CB C 37.091 0.2 1 885 . 79 ILE CG1 C 28.151 0.2 1 886 . 79 ILE CG2 C 15.686 0.2 1 887 . 79 ILE CD1 C 15.979 0.2 1 888 . 79 ILE N N 121.528 0.2 1 889 . 80 GLU H H 7.269 0.02 1 890 . 80 GLU HA H 3.194 0.02 1 891 . 80 GLU HB2 H 1.773 0.02 2 892 . 80 GLU HB3 H 1.547 0.02 2 893 . 80 GLU HG2 H 2.080 0.02 2 894 . 80 GLU HG3 H 1.927 0.02 2 895 . 80 GLU C C 178.747 0.2 1 896 . 80 GLU CA C 59.526 0.2 1 897 . 80 GLU CB C 29.160 0.2 1 898 . 80 GLU CG C 35.376 0.2 1 899 . 80 GLU N N 119.636 0.2 1 900 . 81 THR H H 8.159 0.02 1 901 . 81 THR HA H 3.822 0.02 1 902 . 81 THR HB H 3.914 0.02 1 903 . 81 THR HG2 H 0.975 0.02 1 904 . 81 THR C C 177.240 0.2 1 905 . 81 THR CA C 65.383 0.2 1 906 . 81 THR CB C 68.557 0.2 1 907 . 81 THR CG2 C 21.505 0.2 1 908 . 81 THR N N 112.230 0.2 1 909 . 82 THR H H 7.818 0.02 1 910 . 82 THR HA H 3.660 0.02 1 911 . 82 THR HB H 3.877 0.02 1 912 . 82 THR HG2 H 1.146 0.02 1 913 . 82 THR C C 175.848 0.2 1 914 . 82 THR CA C 67.475 0.2 1 915 . 82 THR CB C 68.185 0.2 1 916 . 82 THR CG2 C 23.378 0.2 1 917 . 82 THR N N 120.034 0.2 1 918 . 83 SER H H 8.478 0.02 1 919 . 83 SER HA H 4.150 0.02 1 920 . 83 SER HB2 H 3.893 0.02 2 921 . 83 SER HB3 H 3.814 0.02 2 922 . 83 SER C C 177.658 0.2 1 923 . 83 SER CA C 61.249 0.2 1 924 . 83 SER CB C 62.207 0.2 1 925 . 83 SER N N 116.587 0.2 1 926 . 84 ASN H H 7.868 0.02 1 927 . 84 ASN HA H 4.408 0.02 1 928 . 84 ASN HB2 H 2.895 0.02 2 929 . 84 ASN HB3 H 2.769 0.02 2 930 . 84 ASN ND2 N 112.7 0.2 1 931 . 84 ASN HD21 H 7.613 0.02 1 932 . 84 ASN HD22 H 7.123 0.02 1 933 . 84 ASN C C 178.317 0.2 1 934 . 84 ASN CA C 56.435 0.2 1 935 . 84 ASN CB C 37.620 0.2 1 936 . 84 ASN N N 118.910 0.2 1 937 . 85 LYS H H 7.940 0.02 1 938 . 85 LYS HA H 4.062 0.02 1 939 . 85 LYS HB2 H 1.947 0.02 2 940 . 85 LYS HB3 H 1.583 0.02 2 941 . 85 LYS HG2 H 1.629 0.02 2 942 . 85 LYS HG3 H 1.605 0.02 2 943 . 85 LYS C C 178.550 0.2 1 944 . 85 LYS CA C 59.648 0.2 1 945 . 85 LYS CB C 32.971 0.2 1 946 . 85 LYS CG C 26.082 0.2 1 947 . 85 LYS CD C 29.703 0.2 1 948 . 85 LYS CE C 42.199 0.2 1 949 . 85 LYS N N 120.592 0.2 1 950 . 86 LEU H H 7.961 0.02 1 951 . 86 LEU HA H 3.977 0.02 1 952 . 86 LEU HB2 H 1.728 0.02 2 953 . 86 LEU HB3 H 1.118 0.02 2 954 . 86 LEU HG H 1.356 0.02 1 955 . 86 LEU HD1 H 0.651 0.02 1 956 . 86 LEU HD2 H -0.149 0.02 1 957 . 86 LEU C C 181.119 0.2 1 958 . 86 LEU CA C 58.165 0.2 1 959 . 86 LEU CB C 42.118 0.2 1 960 . 86 LEU CG C 26.147 0.2 1 961 . 86 LEU CD1 C 24.557 0.2 1 962 . 86 LEU CD2 C 23.698 0.2 1 963 . 86 LEU N N 122.143 0.2 1 964 . 87 LYS H H 7.970 0.02 1 965 . 87 LYS HA H 4.005 0.02 1 966 . 87 LYS HB2 H 1.905 0.02 1 967 . 87 LYS HB3 H 1.905 0.02 1 968 . 87 LYS C C 178.316 0.2 1 969 . 87 LYS CA C 59.642 0.2 1 970 . 87 LYS CB C 32.297 0.2 1 971 . 87 LYS CG C 25.406 0.2 1 972 . 87 LYS CD C 29.483 0.2 1 973 . 87 LYS CE C 42.179 0.2 1 974 . 87 LYS N N 120.509 0.2 1 975 . 88 SER H H 7.569 0.02 1 976 . 88 SER HA H 4.429 0.02 1 977 . 88 SER HB2 H 3.927 0.02 2 978 . 88 SER HB3 H 3.922 0.02 2 979 . 88 SER C C 173.272 0.2 1 980 . 88 SER CA C 58.391 0.2 1 981 . 88 SER CB C 63.575 0.2 1 982 . 88 SER N N 111.427 0.2 1 983 . 89 ARG H H 8.126 0.02 1 984 . 89 ARG HA H 3.765 0.02 1 985 . 89 ARG HB2 H 2.104 0.02 2 986 . 89 ARG HB3 H 1.983 0.02 2 987 . 89 ARG HG2 H 1.592 0.02 2 988 . 89 ARG HG3 H 1.570 0.02 2 989 . 89 ARG HD2 H 3.238 0.02 2 990 . 89 ARG HD3 H 3.215 0.02 2 991 . 89 ARG HE H 7.132 0.02 1 992 . 89 ARG C C 175.587 0.2 1 993 . 89 ARG CA C 57.471 0.2 1 994 . 89 ARG CB C 26.329 0.2 1 995 . 89 ARG CG C 28.083 0.2 1 996 . 89 ARG CD C 43.587 0.2 1 997 . 89 ARG N N 116.710 0.2 1 998 . 89 ARG NE N 84.779 0.2 1 999 . 90 GLU H H 8.407 0.02 1 1000 . 90 GLU HA H 4.210 0.02 1 1001 . 90 GLU HB2 H 2.094 0.02 2 1002 . 90 GLU HB3 H 1.774 0.02 2 1003 . 90 GLU HG2 H 2.258 0.02 2 1004 . 90 GLU HG3 H 2.256 0.02 2 1005 . 90 GLU C C 176.093 0.2 1 1006 . 90 GLU CA C 56.927 0.2 1 1007 . 90 GLU CB C 31.053 0.2 1 1008 . 90 GLU CG C 36.041 0.2 1 1009 . 90 GLU N N 115.865 0.2 1 1010 . 91 ILE H H 7.009 0.02 1 1011 . 91 ILE HA H 4.730 0.02 1 1012 . 91 ILE HB H 1.983 0.02 1 1013 . 91 ILE HG12 H 1.270 0.02 2 1014 . 91 ILE HG13 H 0.614 0.02 2 1015 . 91 ILE HG2 H 0.763 0.02 1 1016 . 91 ILE HD1 H 0.806 0.02 1 1017 . 91 ILE C C 174.635 0.2 1 1018 . 91 ILE CA C 58.470 0.2 1 1019 . 91 ILE CB C 42.202 0.2 1 1020 . 91 ILE CG1 C 23.768 0.2 1 1021 . 91 ILE CG2 C 17.656 0.2 1 1022 . 91 ILE CD1 C 14.808 0.2 1 1023 . 91 ILE N N 109.621 0.2 1 1024 . 92 THR H H 8.148 0.02 1 1025 . 92 THR HA H 4.419 0.02 1 1026 . 92 THR HB H 4.826 0.02 1 1027 . 92 THR HG2 H 1.282 0.02 1 1028 . 92 THR C C 175.566 0.2 1 1029 . 92 THR CA C 60.149 0.2 1 1030 . 92 THR CB C 71.401 0.2 1 1031 . 92 THR CG2 C 21.700 0.2 1 1032 . 92 THR N N 109.512 0.2 1 1033 . 93 PHE H H 9.516 0.02 1 1034 . 93 PHE HA H 3.984 0.02 1 1035 . 93 PHE HB2 H 3.338 0.02 2 1036 . 93 PHE HB3 H 3.138 0.02 2 1037 . 93 PHE CE1 C 131.9 0.2 1 1038 . 93 PHE CE2 C 131.9 0.2 1 1039 . 93 PHE HE1 H 7.672 0.02 1 1040 . 93 PHE HE2 H 7.672 0.02 1 1041 . 93 PHE CD1 C 132.06 0.2 1 1042 . 93 PHE CD2 C 132.06 0.2 1 1043 . 93 PHE HD1 H 7.164 0.02 1 1044 . 93 PHE HD2 H 7.164 0.02 1 1045 . 93 PHE HZ H 7.268 0.02 1 1046 . 93 PHE CZ C 129.2 0.2 1 1047 . 93 PHE C C 177.648 0.2 1 1048 . 93 PHE CA C 63.139 0.2 1 1049 . 93 PHE CB C 39.774 0.2 1 1050 . 93 PHE N N 120.684 0.2 1 1051 . 94 GLN H H 8.816 0.02 1 1052 . 94 GLN HA H 3.986 0.02 1 1053 . 94 GLN HB2 H 2.189 0.02 2 1054 . 94 GLN HB3 H 1.982 0.02 2 1055 . 94 GLN HG2 H 2.772 0.02 2 1056 . 94 GLN HG3 H 2.611 0.02 2 1057 . 94 GLN C C 179.113 0.2 1 1058 . 94 GLN CA C 58.836 0.2 1 1059 . 94 GLN CB C 27.364 0.2 1 1060 . 94 GLN CG C 34.042 0.2 1 1061 . 94 GLN N N 116.038 0.2 1 1062 . 94 GLN NE2 N 116.2 0.2 1 1063 . 94 GLN HE21 H 7.972 0.02 2 1064 . 94 GLN HE22 H 7.916 0.02 2 1065 . 95 GLU H H 7.622 0.02 1 1066 . 95 GLU HA H 3.922 0.02 1 1067 . 95 GLU HB2 H 2.214 0.02 2 1068 . 95 GLU HB3 H 1.898 0.02 2 1069 . 95 GLU HG2 H 2.234 0.02 2 1070 . 95 GLU HG3 H 2.227 0.02 2 1071 . 95 GLU C C 178.564 0.2 1 1072 . 95 GLU CA C 59.310 0.2 1 1073 . 95 GLU CB C 29.477 0.2 1 1074 . 95 GLU CG C 36.281 0.2 1 1075 . 95 GLU N N 121.077 0.2 1 1076 . 96 TYR H H 8.154 0.02 1 1077 . 96 TYR HA H 3.759 0.02 1 1078 . 96 TYR HB2 H 3.321 0.02 2 1079 . 96 TYR HB3 H 2.663 0.02 2 1080 . 96 TYR C C 175.623 0.2 1 1081 . 96 TYR CA C 60.689 0.2 1 1082 . 96 TYR CB C 37.932 0.2 1 1083 . 96 TYR N N 123.658 0.2 1 1084 . 96 TYR CD1 C 133.8 0.2 1 1085 . 96 TYR CD2 C 133.8 0.2 1 1086 . 96 TYR HD1 H 6.413 0.02 1 1087 . 96 TYR HD2 H 6.413 0.02 1 1088 . 96 TYR CE1 C 118.3 0.2 1 1089 . 96 TYR CE2 C 118.3 0.2 1 1090 . 96 TYR HE1 H 5.914 0.02 1 1091 . 96 TYR HE2 H 5.914 0.02 1 1092 . 97 ARG H H 8.450 0.02 1 1093 . 97 ARG HA H 3.466 0.02 1 1094 . 97 ARG HB2 H 1.873 0.02 2 1095 . 97 ARG HB3 H 1.538 0.02 2 1096 . 97 ARG HG2 H 1.289 0.02 2 1097 . 97 ARG HG3 H 1.625 0.02 2 1098 . 97 ARG HD2 H 3.494 0.02 2 1099 . 97 ARG HD3 H 3.371 0.02 2 1100 . 97 ARG C C 177.467 0.2 1 1101 . 97 ARG CA C 59.778 0.2 1 1102 . 97 ARG CB C 30.458 0.2 1 1103 . 97 ARG CG C 28.376 0.2 1 1104 . 97 ARG CD C 44.362 0.2 1 1105 . 97 ARG N N 119.818 0.2 1 1106 . 98 ARG H H 8.021 0.02 1 1107 . 98 ARG HA H 3.767 0.02 1 1108 . 98 ARG HB2 H 1.843 0.02 2 1109 . 98 ARG HB3 H 1.817 0.02 2 1110 . 98 ARG HG2 H 1.824 0.02 2 1111 . 98 ARG HG3 H 1.485 0.02 2 1112 . 98 ARG HD2 H 3.194 0.02 2 1113 . 98 ARG HD3 H 3.114 0.02 2 1114 . 98 ARG C C 179.397 0.2 1 1115 . 98 ARG CA C 60.214 0.2 1 1116 . 98 ARG CB C 30.184 0.2 1 1117 . 98 ARG CG C 28.845 0.2 1 1118 . 98 ARG CD C 43.432 0.2 1 1119 . 98 ARG N N 116.903 0.2 1 1120 . 99 ASN H H 8.188 0.02 1 1121 . 99 ASN HA H 4.286 0.02 1 1122 . 99 ASN HB2 H 2.703 0.02 2 1123 . 99 ASN HB3 H 2.379 0.02 2 1124 . 99 ASN HD21 H 6.886 0.02 1 1125 . 99 ASN HD22 H 7.101 0.02 1 1126 . 99 ASN C C 177.123 0.2 1 1127 . 99 ASN CA C 55.969 0.2 1 1128 . 99 ASN CB C 39.157 0.2 1 1129 . 99 ASN N N 119.741 0.2 1 1130 . 99 ASN ND2 N 110.621 0.2 1 1131 . 100 LEU H H 8.197 0.02 1 1132 . 100 LEU HA H 3.602 0.02 1 1133 . 100 LEU HB2 H 1.566 0.02 2 1134 . 100 LEU HB3 H 1.007 0.02 2 1135 . 100 LEU HG H 1.033 0.02 1 1136 . 100 LEU HD1 H 0.085 0.02 1 1137 . 100 LEU HD2 H 0.192 0.02 1 1138 . 100 LEU C C 179.284 0.2 1 1139 . 100 LEU CA C 58.365 0.2 1 1140 . 100 LEU CB C 39.781 0.2 1 1141 . 100 LEU CG C 28.432 0.2 1 1142 . 100 LEU CD1 C 25.543 0.2 1 1143 . 100 LEU CD2 C 24.862 0.2 1 1144 . 100 LEU N N 119.572 0.2 1 1145 . 101 ALA H H 8.096 0.02 1 1146 . 101 ALA HA H 4.338 0.02 1 1147 . 101 ALA HB H 1.469 0.02 1 1148 . 101 ALA C C 181.638 0.2 1 1149 . 101 ALA CA C 55.223 0.2 1 1150 . 101 ALA CB C 18.191 0.2 1 1151 . 101 ALA N N 123.052 0.2 1 1152 . 102 LYS H H 7.470 0.02 1 1153 . 102 LYS HA H 3.915 0.02 1 1154 . 102 LYS HB2 H 1.926 0.02 2 1155 . 102 LYS HB3 H 1.925 0.02 2 1156 . 102 LYS C C 176.689 0.2 1 1157 . 102 LYS CA C 58.767 0.2 1 1158 . 102 LYS CB C 32.133 0.2 1 1159 . 102 LYS CG C 25.404 0.2 1 1160 . 102 LYS CD C 29.682 0.2 1 1161 . 102 LYS CE C 42.137 0.2 1 1162 . 102 LYS N N 119.474 0.2 1 1163 . 103 ALA H H 7.444 0.02 1 1164 . 103 ALA HA H 4.184 0.02 1 1165 . 103 ALA HB H 1.425 0.02 1 1166 . 103 ALA C C 175.770 0.2 1 1167 . 103 ALA CA C 52.131 0.2 1 1168 . 103 ALA CB C 20.186 0.2 1 1169 . 103 ALA N N 119.882 0.2 1 1170 . 104 GLY H H 7.312 0.02 1 1171 . 104 GLY HA2 H 4.570 0.02 2 1172 . 104 GLY HA3 H 4.016 0.02 2 1173 . 104 GLY C C 175.853 0.2 1 1174 . 104 GLY CA C 44.323 0.2 1 1175 . 104 GLY N N 102.028 0.2 1 1176 . 105 VAL H H 8.025 0.02 1 1177 . 105 VAL HA H 3.653 0.02 1 1178 . 105 VAL HB H 1.952 0.02 1 1179 . 105 VAL HG1 H 1.319 0.02 1 1180 . 105 VAL HG2 H 0.876 0.02 1 1181 . 105 VAL C C 172.399 0.2 1 1182 . 105 VAL CA C 63.830 0.2 1 1183 . 105 VAL CB C 31.252 0.2 1 1184 . 105 VAL CG1 C 23.451 0.2 1 1185 . 105 VAL CG2 C 23.768 0.2 1 1186 . 105 VAL N N 120.273 0.2 1 1187 . 106 PHE H H 9.475 0.02 1 1188 . 106 PHE HA H 4.820 0.02 1 1189 . 106 PHE HB2 H 3.266 0.02 2 1190 . 106 PHE HB3 H 2.854 0.02 2 1191 . 106 PHE CE1 C 132.4 0.2 1 1192 . 106 PHE CE2 C 132.4 0.2 1 1193 . 106 PHE HE1 H 7.645 0.02 1 1194 . 106 PHE HE2 H 7.645 0.02 1 1195 . 106 PHE CD1 C 132.09 0.2 1 1196 . 106 PHE CD2 C 132.09 0.2 1 1197 . 106 PHE HD1 H 7.384 0.02 1 1198 . 106 PHE HD2 H 7.384 0.02 1 1199 . 106 PHE C C 176.553 0.2 1 1200 . 106 PHE CA C 58.480 0.2 1 1201 . 106 PHE CB C 43.017 0.2 1 1202 . 106 PHE N N 126.630 0.2 1 1203 . 107 ARG H H 8.337 0.02 1 1204 . 107 ARG HA H 5.208 0.02 1 1205 . 107 ARG HB2 H 1.283 0.02 2 1206 . 107 ARG HB3 H 1.054 0.02 2 1207 . 107 ARG HG2 H 1.702 0.02 2 1208 . 107 ARG HG3 H 1.091 0.02 2 1209 . 107 ARG HD2 H 2.935 0.02 2 1210 . 107 ARG HD3 H 2.442 0.02 2 1211 . 107 ARG HE H 7.335 0.02 1 1212 . 107 ARG C C 173.380 0.2 1 1213 . 107 ARG CA C 54.081 0.2 1 1214 . 107 ARG CB C 32.130 0.2 1 1215 . 107 ARG CG C 27.985 0.2 1 1216 . 107 ARG CD C 43.793 0.2 1 1217 . 107 ARG N N 115.171 0.2 1 1218 . 107 ARG NE N 86.088 0.2 1 1219 . 108 TRP H H 8.595 0.02 1 1220 . 108 TRP HA H 6.069 0.02 1 1221 . 108 TRP HB2 H 2.974 0.02 2 1222 . 108 TRP HB3 H 2.567 0.02 2 1223 . 108 TRP HD1 H 6.783 0.02 1 1224 . 108 TRP HE1 H 10.829 0.02 1 1225 . 108 TRP HZ2 H 6.674 0.02 1 1226 . 108 TRP CH2 C 123.2 0.2 1 1227 . 108 TRP HH2 H 6.617 0.02 1 1228 . 108 TRP CZ3 C 121.0 0.2 1 1229 . 108 TRP HZ3 H 6.662 0.02 1 1230 . 108 TRP CE3 C 119.3 0.2 1 1231 . 108 TRP HE3 H 7.298 0.02 1 1232 . 108 TRP C C 173.766 0.2 1 1233 . 108 TRP CA C 55.480 0.2 1 1234 . 108 TRP CB C 32.054 0.2 1 1235 . 108 TRP CD1 C 125.938 0.2 1 1236 . 108 TRP CZ2 C 113.972 0.2 1 1237 . 108 TRP N N 117.668 0.2 1 1238 . 108 TRP NE1 N 132.849 0.2 1 1239 . 109 VAL H H 9.309 0.02 1 1240 . 109 VAL HA H 5.130 0.02 1 1241 . 109 VAL HB H 2.155 0.02 1 1242 . 109 VAL HG1 H 0.881 0.02 1 1243 . 109 VAL HG2 H 0.963 0.02 1 1244 . 109 VAL C C 175.943 0.2 1 1245 . 109 VAL CA C 59.822 0.2 1 1246 . 109 VAL CB C 36.020 0.2 1 1247 . 109 VAL CG1 C 20.052 0.2 1 1248 . 109 VAL CG2 C 22.159 0.2 1 1249 . 109 VAL N N 120.244 0.2 1 1250 . 110 THR H H 8.250 0.02 1 1251 . 110 THR HA H 4.828 0.02 1 1252 . 110 THR HB H 3.182 0.02 1 1253 . 110 THR HG2 H 1.059 0.02 1 1254 . 110 THR C C 173.243 0.2 1 1255 . 110 THR CA C 60.933 0.2 1 1256 . 110 THR CB C 69.906 0.2 1 1257 . 110 THR CG2 C 23.413 0.2 1 1258 . 110 THR N N 123.297 0.2 1 1259 . 111 ASN H H 9.262 0.02 1 1260 . 111 ASN HA H 4.968 0.02 1 1261 . 111 ASN HB2 H 3.104 0.02 2 1262 . 111 ASN HB3 H 2.533 0.02 2 1263 . 111 ASN C C 175.342 0.2 1 1264 . 111 ASN CA C 52.506 0.2 1 1265 . 111 ASN CB C 40.627 0.2 1 1266 . 111 ASN N N 126.475 0.2 1 1267 . 111 ASN ND2 N 114.9 0.2 1 1268 . 111 ASN HD21 H 7.833 0.02 2 1269 . 111 ASN HD22 H 7.018 0.02 2 1270 . 112 ILE H H 8.021 0.02 1 1271 . 112 ILE HA H 3.598 0.02 1 1272 . 112 ILE HB H 2.183 0.02 1 1273 . 112 ILE HG12 H 1.308 0.02 2 1274 . 112 ILE HG13 H 1.237 0.02 2 1275 . 112 ILE HG2 H 0.840 0.02 1 1276 . 112 ILE HD1 H 0.718 0.02 1 1277 . 112 ILE C C 177.648 0.2 1 1278 . 112 ILE CA C 62.111 0.2 1 1279 . 112 ILE CB C 35.621 0.2 1 1280 . 112 ILE CG1 C 27.550 0.2 1 1281 . 112 ILE CG2 C 17.342 0.2 1 1282 . 112 ILE CD1 C 9.843 0.2 1 1283 . 112 ILE N N 124.886 0.2 1 1284 . 113 HIS H H 8.534 0.02 1 1285 . 113 HIS HA H 4.449 0.02 1 1286 . 113 HIS HB2 H 3.448 0.02 2 1287 . 113 HIS HB3 H 3.451 0.02 2 1288 . 113 HIS CD2 C 120.3 0.2 1 1289 . 113 HIS HD2 H 7.329 0.02 1 1290 . 113 HIS C C 177.164 0.2 1 1291 . 113 HIS CA C 59.151 0.2 1 1292 . 113 HIS CB C 28.157 0.2 1 1293 . 113 HIS N N 120.348 0.2 1 1294 . 114 GLU H H 8.402 0.02 1 1295 . 114 GLU HA H 3.907 0.02 1 1296 . 114 GLU HB2 H 1.943 0.02 2 1297 . 114 GLU HB3 H 1.652 0.02 2 1298 . 114 GLU HG2 H 2.210 0.02 2 1299 . 114 GLU HG3 H 2.212 0.02 2 1300 . 114 GLU C C 175.702 0.2 1 1301 . 114 GLU CA C 56.233 0.2 1 1302 . 114 GLU CB C 30.559 0.2 1 1303 . 114 GLU CG C 35.926 0.2 1 1304 . 114 GLU N N 115.664 0.2 1 1305 . 115 GLN H H 7.761 0.02 1 1306 . 115 GLN HA H 3.333 0.02 1 1307 . 115 GLN HB2 H 2.320 0.02 2 1308 . 115 GLN HB3 H 1.867 0.02 2 1309 . 115 GLN HG2 H 2.124 0.02 2 1310 . 115 GLN HG3 H 2.048 0.02 2 1311 . 115 GLN NE2 N 112.2 0.2 1 1312 . 115 GLN HE21 H 7.697 0.02 1 1313 . 115 GLN HE22 H 6.686 0.02 1 1314 . 115 GLN C C 176.216 0.2 1 1315 . 115 GLN CA C 56.546 0.2 1 1316 . 115 GLN CB C 26.201 0.2 1 1317 . 115 GLN CG C 34.171 0.2 1 1318 . 115 GLN N N 113.582 0.2 1 1319 . 116 LYS H H 7.610 0.02 1 1320 . 116 LYS HA H 4.909 0.02 1 1321 . 116 LYS HB2 H 1.222 0.02 2 1322 . 116 LYS HB3 H 0.903 0.02 2 1323 . 116 LYS HG2 H 1.236 0.02 2 1324 . 116 LYS HG3 H 0.905 0.02 2 1325 . 116 LYS HD2 H 1.309 0.02 2 1326 . 116 LYS HD3 H 1.308 0.02 2 1327 . 116 LYS HE2 H 2.730 0.02 1 1328 . 116 LYS HE3 H 2.730 0.02 1 1329 . 116 LYS C C 172.888 0.2 1 1330 . 116 LYS CA C 55.059 0.2 1 1331 . 116 LYS CB C 39.381 0.2 1 1332 . 116 LYS CG C 25.618 0.2 1 1333 . 116 LYS CD C 29.263 0.2 1 1334 . 116 LYS CE C 42.365 0.2 1 1335 . 116 LYS N N 118.716 0.2 1 1336 . 117 ARG H H 8.575 0.02 1 1337 . 117 ARG HA H 5.135 0.02 1 1338 . 117 ARG HB2 H 1.353 0.02 2 1339 . 117 ARG HB3 H 1.113 0.02 2 1340 . 117 ARG HG2 H 1.218 0.02 2 1341 . 117 ARG C C 173.274 0.2 1 1342 . 117 ARG CA C 54.265 0.2 1 1343 . 117 ARG CB C 34.848 0.2 1 1344 . 117 ARG CG C 27.173 0.2 1 1345 . 117 ARG CD C 44.137 0.2 1 1346 . 117 ARG N N 122.476 0.2 1 1347 . 118 TYR H H 9.242 0.02 1 1348 . 118 TYR HA H 4.816 0.02 1 1349 . 118 TYR HB2 H 2.789 0.02 2 1350 . 118 TYR HB3 H 2.639 0.02 2 1351 . 118 TYR CD1 C 134.0 0.2 1 1352 . 118 TYR CD2 C 134.0 0.2 1 1353 . 118 TYR HD1 H 7.077 0.02 1 1354 . 118 TYR HD2 H 7.077 0.02 1 1355 . 118 TYR CE1 C 117.9 0.2 1 1356 . 118 TYR CE2 C 117.9 0.2 1 1357 . 118 TYR HE1 H 6.595 0.02 1 1358 . 118 TYR HE2 H 6.595 0.02 1 1359 . 118 TYR C C 174.940 0.2 1 1360 . 118 TYR CA C 56.537 0.2 1 1361 . 118 TYR CB C 42.467 0.2 1 1362 . 118 TYR N N 123.050 0.2 1 1363 . 119 TYR H H 8.292 0.02 1 1364 . 119 TYR HA H 5.062 0.02 1 1365 . 119 TYR HB2 H 2.972 0.02 2 1366 . 119 TYR HB3 H 2.900 0.02 2 1367 . 119 TYR HD1 H 7.140 0.02 1 1368 . 119 TYR HD2 H 7.140 0.02 1 1369 . 119 TYR HE1 H 6.423 0.02 1 1370 . 119 TYR HE2 H 6.423 0.02 1 1371 . 119 TYR C C 174.465 0.2 1 1372 . 119 TYR CA C 57.811 0.2 1 1373 . 119 TYR CB C 40.029 0.2 1 1374 . 119 TYR CD1 C 133.6 0.2 1 1375 . 119 TYR CD2 C 133.6 0.2 1 1376 . 119 TYR CE1 C 118.2 0.2 1 1377 . 119 TYR CE2 C 118.2 0.2 1 1378 . 119 TYR N N 118.911 0.2 1 1379 . 120 TYR H H 8.986 0.02 1 1380 . 120 TYR HA H 5.822 0.02 1 1381 . 120 TYR HB2 H 3.236 0.02 2 1382 . 120 TYR HB3 H 2.833 0.02 2 1383 . 120 TYR HD1 H 6.65 0.02 1 1384 . 120 TYR HD2 H 6.65 0.02 1 1385 . 120 TYR HE1 H 6.53 0.02 1 1386 . 120 TYR HE2 H 6.53 0.02 1 1387 . 120 TYR C C 177.791 0.2 1 1388 . 120 TYR CA C 57.639 0.2 1 1389 . 120 TYR CB C 44.247 0.2 1 1390 . 120 TYR CD1 C 132.644 0.2 1 1391 . 120 TYR CD2 C 132.644 0.2 1 1392 . 120 TYR CE1 C 118.4 0.2 1 1393 . 120 TYR CE2 C 118.4 0.2 1 1394 . 120 TYR N N 121.056 0.2 1 1395 . 121 THR H H 8.855 0.02 1 1396 . 121 THR HA H 5.312 0.02 1 1397 . 121 THR HG2 H 1.471 0.02 1 1398 . 121 THR C C 177.830 0.2 1 1399 . 121 THR CA C 60.935 0.2 1 1400 . 121 THR CB C 71.593 0.2 1 1401 . 121 THR CG2 C 23.162 0.2 1 1402 . 121 THR N N 111.135 0.2 1 1403 . 122 PHE H H 9.521 0.02 1 1404 . 122 PHE HA H 3.640 0.02 1 1405 . 122 PHE HB2 H 2.862 0.02 2 1406 . 122 PHE HB3 H 2.739 0.02 2 1407 . 122 PHE CE1 C 131.85 0.2 1 1408 . 122 PHE CE2 C 131.85 0.2 1 1409 . 122 PHE HE1 H 7.208 0.02 1 1410 . 122 PHE HE2 H 7.208 0.02 1 1411 . 122 PHE CD1 C 131.8 0.2 1 1412 . 122 PHE CD2 C 131.8 0.2 1 1413 . 122 PHE HD1 H 6.730 0.02 1 1414 . 122 PHE HD2 H 6.730 0.02 1 1415 . 122 PHE C C 174.985 0.2 1 1416 . 122 PHE CA C 60.567 0.2 1 1417 . 122 PHE CB C 38.455 0.2 1 1418 . 122 PHE N N 123.079 0.2 1 1419 . 123 ASP H H 7.766 0.02 1 1420 . 123 ASP HA H 4.242 0.02 1 1421 . 123 ASP HB2 H 2.802 0.02 2 1422 . 123 ASP HB3 H 2.099 0.02 2 1423 . 123 ASP C C 175.543 0.2 1 1424 . 123 ASP CA C 52.377 0.2 1 1425 . 123 ASP CB C 38.515 0.2 1 1426 . 123 ASP N N 116.719 0.2 1 1427 . 124 ASN H H 7.897 0.02 1 1428 . 124 ASN HA H 4.226 0.02 1 1429 . 124 ASN HB2 H 2.978 0.02 2 1430 . 124 ASN HB3 H 2.711 0.02 2 1431 . 124 ASN HD21 H 7.398 0.02 1 1432 . 124 ASN HD22 H 6.592 0.02 1 1433 . 124 ASN C C 174.399 0.2 1 1434 . 124 ASN CA C 54.903 0.2 1 1435 . 124 ASN CB C 37.137 0.2 1 1436 . 124 ASN N N 112.857 0.2 1 1437 . 124 ASN ND2 N 112.794 0.2 1 1438 . 125 SER H H 8.016 0.02 1 1439 . 125 SER HA H 4.559 0.02 1 1440 . 125 SER HB2 H 3.937 0.02 2 1441 . 125 SER HB3 H 3.753 0.02 2 1442 . 125 SER C C 174.090 0.2 1 1443 . 125 SER CA C 58.790 0.2 1 1444 . 125 SER CB C 63.090 0.2 1 1445 . 125 SER N N 115.085 0.2 1 1446 . 126 LEU H H 8.888 0.02 1 1447 . 126 LEU HA H 4.165 0.02 1 1448 . 126 LEU HB3 H 1.857 0.02 1 1449 . 126 LEU HB2 H 1.308 0.02 1 1450 . 126 LEU HG H 1.177 0.02 1 1451 . 126 LEU HD1 H 0.601 0.02 1 1452 . 126 LEU HD2 H 0.829 0.02 1 1453 . 126 LEU C C 176.879 0.2 1 1454 . 126 LEU CA C 54.990 0.2 1 1455 . 126 LEU CB C 41.559 0.2 1 1456 . 126 LEU CG C 27.306 0.2 1 1457 . 126 LEU CD1 C 23.095 0.2 1 1458 . 126 LEU CD2 C 25.987 0.2 1 1459 . 126 LEU N N 128.393 0.2 1 1460 . 127 LEU H H 9.152 0.02 1 1461 . 127 LEU HA H 4.412 0.02 1 1462 . 127 LEU HB2 H 1.476 0.02 2 1463 . 127 LEU HB3 H 1.260 0.02 2 1464 . 127 LEU HG H 1.647 0.02 1 1465 . 127 LEU HD1 H 0.790 0.02 1 1466 . 127 LEU HD2 H 0.741 0.02 1 1467 . 127 LEU C C 176.348 0.2 1 1468 . 127 LEU CA C 55.497 0.2 1 1469 . 127 LEU CB C 45.369 0.2 1 1470 . 127 LEU CG C 27.016 0.2 1 1471 . 127 LEU CD1 C 25.865 0.2 1 1472 . 127 LEU CD2 C 23.825 0.2 1 1473 . 127 LEU N N 128.971 0.2 1 1474 . 128 PHE H H 7.352 0.02 1 1475 . 128 PHE HA H 4.732 0.02 1 1476 . 128 PHE HB2 H 3.128 0.02 2 1477 . 128 PHE HB3 H 2.308 0.02 2 1478 . 128 PHE HD1 H 6.970 0.02 1 1479 . 128 PHE HD2 H 6.970 0.02 1 1480 . 128 PHE HE1 H 7.170 0.02 1 1481 . 128 PHE HE2 H 7.170 0.02 1 1482 . 128 PHE CD1 C 131.4 0.2 1 1483 . 128 PHE CD2 C 131.4 0.2 1 1484 . 128 PHE CE1 C 131.3 0.2 1 1485 . 128 PHE CE2 C 131.3 0.2 1 1486 . 128 PHE C C 172.090 0.2 1 1487 . 128 PHE CA C 57.943 0.2 1 1488 . 128 PHE CB C 42.082 0.2 1 1489 . 128 PHE N N 115.380 0.2 1 1490 . 129 THR H H 6.921 0.02 1 1491 . 129 THR HA H 4.947 0.02 1 1492 . 129 THR HB H 3.486 0.02 1 1493 . 129 THR HG2 H 0.719 0.02 1 1494 . 129 THR C C 171.595 0.2 1 1495 . 129 THR CA C 61.019 0.2 1 1496 . 129 THR CB C 71.160 0.2 1 1497 . 129 THR CG2 C 21.671 0.2 1 1498 . 129 THR N N 121.616 0.2 1 1499 . 130 GLU H H 8.928 0.02 1 1500 . 130 GLU HA H 4.421 0.02 1 1501 . 130 GLU HB2 H 1.923 0.02 1 1502 . 130 GLU HB3 H 1.923 0.02 1 1503 . 130 GLU HG2 H 2.067 0.02 2 1504 . 130 GLU HG3 H 2.069 0.02 2 1505 . 130 GLU C C 174.601 0.2 1 1506 . 130 GLU CA C 53.617 0.2 1 1507 . 130 GLU CB C 33.660 0.2 1 1508 . 130 GLU CG C 35.669 0.2 1 1509 . 130 GLU N N 121.884 0.2 1 1510 . 131 SER H H 8.676 0.02 1 1511 . 131 SER HA H 4.725 0.02 1 1512 . 131 SER HB2 H 3.820 0.02 2 1513 . 131 SER HB3 H 3.785 0.02 2 1514 . 131 SER C C 176.063 0.2 1 1515 . 131 SER CA C 57.612 0.2 1 1516 . 131 SER CB C 63.789 0.2 1 1517 . 131 SER N N 117.177 0.2 1 1518 . 132 ILE H H 7.471 0.02 1 1519 . 132 ILE HA H 4.281 0.02 1 1520 . 132 ILE HB H 1.696 0.02 1 1521 . 132 ILE HG12 H 0.759 0.02 2 1522 . 132 ILE HG13 H 0.140 0.02 2 1523 . 132 ILE HG2 H 0.459 0.02 1 1524 . 132 ILE HD1 H -0.113 0.02 1 1525 . 132 ILE C C 175.396 0.2 1 1526 . 132 ILE CA C 61.212 0.2 1 1527 . 132 ILE CB C 37.160 0.2 1 1528 . 132 ILE CG1 C 25.943 0.2 1 1529 . 132 ILE CG2 C 18.280 0.2 1 1530 . 132 ILE CD1 C 12.546 0.2 1 1531 . 132 ILE N N 119.438 0.2 1 1532 . 133 GLN H H 8.113 0.02 1 1533 . 133 GLN HA H 4.186 0.02 1 1534 . 133 GLN HB2 H 1.955 0.02 2 1535 . 133 GLN HB3 H 1.881 0.02 2 1536 . 133 GLN HG2 H 2.274 0.02 2 1537 . 133 GLN HG3 H 2.272 0.02 2 1538 . 133 GLN HE21 H 7.497 0.02 1 1539 . 133 GLN HE22 H 6.818 0.02 1 1540 . 133 GLN C C 175.786 0.2 1 1541 . 133 GLN CA C 56.425 0.2 1 1542 . 133 GLN CB C 29.527 0.2 1 1543 . 133 GLN CG C 33.990 0.2 1 1544 . 133 GLN N N 122.470 0.2 1 1545 . 133 GLN NE2 N 112.072 0.2 1 1546 . 134 LYS H H 8.418 0.02 1 1547 . 134 LYS HA H 4.282 0.02 1 1548 . 134 LYS HB2 H 1.775 0.02 2 1549 . 134 LYS HB3 H 1.740 0.02 2 1550 . 134 LYS HG2 H 1.405 0.02 2 1551 . 134 LYS HG3 H 1.360 0.02 2 1552 . 134 LYS HD2 H 1.623 0.02 1 1553 . 134 LYS HD3 H 1.623 0.02 1 1554 . 134 LYS HE2 H 2.933 0.02 1 1555 . 134 LYS HE3 H 2.933 0.02 1 1556 . 134 LYS C C 176.889 0.2 1 1557 . 134 LYS CA C 56.759 0.2 1 1558 . 134 LYS CB C 32.962 0.2 1 1559 . 134 LYS CG C 24.740 0.2 1 1560 . 134 LYS CD C 29.257 0.2 1 1561 . 134 LYS CE C 42.139 0.2 1 1562 . 134 LYS N N 123.084 0.2 1 1563 . 135 THR H H 8.220 0.02 1 1564 . 135 THR HA H 4.366 0.02 1 1565 . 135 THR HB H 4.178 0.02 1 1566 . 135 THR HG2 H 1.168 0.02 1 1567 . 135 THR C C 174.617 0.2 1 1568 . 135 THR CA C 61.867 0.2 1 1569 . 135 THR CB C 69.958 0.2 1 1570 . 135 THR CG2 C 21.608 0.2 1 1571 . 135 THR N N 116.362 0.2 1 1572 . 136 THR H H 8.159 0.02 1 1573 . 136 THR HA H 4.272 0.02 1 1574 . 136 THR HB H 4.115 0.02 1 1575 . 136 THR HG2 H 1.116 0.02 1 1576 . 136 THR C C 174.224 0.2 1 1577 . 136 THR CA C 61.936 0.2 1 1578 . 136 THR CB C 69.830 0.2 1 1579 . 136 THR CG2 C 21.742 0.2 1 1580 . 136 THR N N 116.630 0.2 1 1581 . 137 GLN H H 8.298 0.02 1 1582 . 137 GLN HA H 4.200 0.02 1 1583 . 137 GLN HB2 H 1.829 0.02 2 1584 . 137 GLN HB3 H 1.830 0.02 2 1585 . 137 GLN HG2 H 2.117 0.02 2 1586 . 137 GLN HG3 H 2.074 0.02 2 1587 . 137 GLN NE2 N 112.60 0.2 1 1588 . 137 GLN HE21 H 7.428 0.02 1 1589 . 137 GLN HE22 H 6.846 0.02 1 1590 . 137 GLN C C 174.982 0.2 1 1591 . 137 GLN CA C 55.660 0.2 1 1592 . 137 GLN CB C 29.626 0.2 1 1593 . 137 GLN CG C 33.798 0.2 1 1594 . 137 GLN N N 123.624 0.2 1 1595 . 138 ILE H H 8.074 0.02 1 1596 . 138 ILE HA H 4.042 0.02 1 1597 . 138 ILE HB H 1.646 0.02 1 1598 . 138 ILE HG12 H 1.301 0.02 2 1599 . 138 ILE HG13 H 1.024 0.02 2 1600 . 138 ILE HG2 H 0.703 0.02 1 1601 . 138 ILE HD1 H 0.726 0.02 1 1602 . 138 ILE C C 175.600 0.2 1 1603 . 138 ILE CA C 60.543 0.2 1 1604 . 138 ILE CB C 38.745 0.2 1 1605 . 138 ILE CG1 C 27.023 0.2 1 1606 . 138 ILE CG2 C 17.325 0.2 1 1607 . 138 ILE CD1 C 12.680 0.2 1 1608 . 138 ILE N N 122.807 0.2 1 1609 . 139 PHE H H 8.407 0.02 1 1610 . 139 PHE HA H 4.846 0.02 1 1611 . 139 PHE HB2 H 3.097 0.02 2 1612 . 139 PHE HB3 H 2.812 0.02 2 1613 . 139 PHE C C 173.885 0.2 1 1614 . 139 PHE CA C 55.494 0.2 1 1615 . 139 PHE CB C 39.014 0.2 1 1616 . 139 PHE N N 125.834 0.2 1 1617 . 140 PRO HA H 4.341 0.02 1 1618 . 140 PRO HB2 H 2.213 0.02 2 1619 . 140 PRO HB3 H 1.814 0.02 2 1620 . 140 PRO HG2 H 1.946 0.02 2 1621 . 140 PRO HG3 H 1.936 0.02 2 1622 . 140 PRO HD2 H 3.751 0.02 2 1623 . 140 PRO HD3 H 3.609 0.02 2 1624 . 140 PRO C C 176.748 0.2 1 1625 . 140 PRO CA C 63.152 0.2 1 1626 . 140 PRO CB C 32.065 0.2 1 1627 . 140 PRO CG C 27.332 0.2 1 1628 . 140 PRO CD C 50.757 0.2 1 1629 . 141 ARG H H 8.382 0.02 1 1630 . 141 ARG HA H 4.238 0.02 1 1631 . 141 ARG HB2 H 1.767 0.02 2 1632 . 141 ARG HB3 H 1.711 0.02 2 1633 . 141 ARG HG2 H 1.600 0.02 2 1634 . 141 ARG HG3 H 1.540 0.02 2 1635 . 141 ARG HD2 H 3.143 0.02 1 1636 . 141 ARG HD3 H 3.143 0.02 1 1637 . 141 ARG HE H 7.323 0.02 1 1638 . 141 ARG C C 176.288 0.2 1 1639 . 141 ARG CA C 56.175 0.2 1 1640 . 141 ARG CB C 30.528 0.2 1 1641 . 141 ARG CG C 27.204 0.2 1 1642 . 141 ARG CD C 43.373 0.2 1 1643 . 141 ARG N N 121.369 0.2 1 1644 . 141 ARG NE N 84.062 0.2 1 1645 . 142 LEU H H 8.243 0.02 1 1646 . 142 LEU HA H 4.260 0.02 1 1647 . 142 LEU HB2 H 1.526 0.02 2 1648 . 142 LEU HB3 H 1.413 0.02 2 1649 . 142 LEU HG H 1.477 0.02 1 1650 . 142 LEU HD1 H 0.820 0.02 1 1651 . 142 LEU HD2 H 0.756 0.02 1 1652 . 142 LEU C C 177.014 0.2 1 1653 . 142 LEU CA C 54.881 0.2 1 1654 . 142 LEU CB C 42.272 0.2 1 1655 . 142 LEU CG C 26.924 0.2 1 1656 . 142 LEU CD1 C 24.878 0.2 1 1657 . 142 LEU CD2 C 23.439 0.2 1 1658 . 142 LEU N N 123.748 0.2 1 1659 . 143 GLU H H 8.268 0.02 1 1660 . 143 GLU HA H 4.157 0.02 1 1661 . 143 GLU HB2 H 1.812 0.02 2 1662 . 143 GLU HB3 H 1.777 0.02 2 1663 . 143 GLU HG2 H 2.156 0.02 2 1664 . 143 GLU HG3 H 2.101 0.02 2 1665 . 143 GLU C C 176.094 0.2 1 1666 . 143 GLU CA C 55.967 0.2 1 1667 . 143 GLU CB C 30.233 0.2 1 1668 . 143 GLU CG C 35.555 0.2 1 1669 . 143 GLU N N 121.960 0.2 1 1670 . 144 HIS H H 8.539 0.02 1 1671 . 144 HIS HA H 4.572 0.02 1 1672 . 144 HIS C C 174.270 0.2 1 1673 . 144 HIS CA C 55.168 0.2 1 1674 . 144 HIS CB C 28.876 0.2 1 1675 . 144 HIS N N 119.647 0.2 1 1676 . 145 HIS H H 8.572 0.02 1 1677 . 145 HIS HA H 4.577 0.02 1 1678 . 145 HIS C C 174.227 0.2 1 1679 . 145 HIS CA C 55.294 0.2 1 1680 . 145 HIS CB C 28.994 0.2 1 1681 . 145 HIS N N 119.358 0.2 1 1682 . 146 HIS H H 8.651 0.02 1 1683 . 146 HIS HA H 4.602 0.02 1 1684 . 146 HIS C C 174.219 0.2 1 1685 . 146 HIS CA C 55.310 0.2 1 1686 . 146 HIS CB C 29.038 0.2 1 1687 . 146 HIS N N 119.934 0.2 1 1688 . 147 HIS H H 8.674 0.02 1 1689 . 147 HIS HA H 4.603 0.02 1 1690 . 147 HIS C C 174.126 0.2 1 1691 . 147 HIS CA C 55.316 0.2 1 1692 . 147 HIS CB C 29.131 0.2 1 1693 . 147 HIS N N 120.621 0.2 1 1694 . 148 HIS H H 8.554 0.02 1 1695 . 148 HIS HA H 4.578 0.02 1 1696 . 148 HIS C C 173.615 0.2 1 1697 . 148 HIS CA C 55.447 0.2 1 1698 . 148 HIS CB C 29.219 0.2 1 1699 . 148 HIS N N 120.738 0.2 1 stop_ save_