data_4879 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H, 13C and 15N Signals of Sortase ; _BMRB_accession_number 4879 _BMRB_flat_file_name bmr4879.str _Entry_type original _Submission_date 2000-10-24 _Accession_date 2000-10-24 _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 Ilangovan Udayar . . 2 Iwahara Junji . . 3 Ton-That Hung . . 4 Schneewind Olaf . . 5 Clubb Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 818 "13C chemical shifts" 642 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-04-26 original author . stop_ _Original_release_date 2001-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of the 1H, 13C and 15N Signals of Sortase ; _Citation_status published _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 Ilangovan Udayar . . 2 Iwahara Junji . . 3 Ton-That Hung . . 4 Schneewind Olaf . . 5 Clubb Robert T. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 379 _Page_last 380 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_SrtA _Saveframe_category molecular_system _Mol_system_name Sortase _Abbreviation_common SrtA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sortase $Sortase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function Transpeptidase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sortase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Staphyloccal Sortase' _Name_variant SrtA _Abbreviation_common Sortase _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MQAKPQIPKDKSKVAGYIEI PDADIKEPVYPGPATPEQLN RGVSFAEENESLDDQNISIA GHTFIDRPNYQFTNLKAAKK GSMVYFKVGNETRKYKMTSI RDVKPTDVGVLDEQKGKDKQ LTLITCDDYNEKTGVWEKRK IFVATEVK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ALA 4 LYS 5 PRO 6 GLN 7 ILE 8 PRO 9 LYS 10 ASP 11 LYS 12 SER 13 LYS 14 VAL 15 ALA 16 GLY 17 TYR 18 ILE 19 GLU 20 ILE 21 PRO 22 ASP 23 ALA 24 ASP 25 ILE 26 LYS 27 GLU 28 PRO 29 VAL 30 TYR 31 PRO 32 GLY 33 PRO 34 ALA 35 THR 36 PRO 37 GLU 38 GLN 39 LEU 40 ASN 41 ARG 42 GLY 43 VAL 44 SER 45 PHE 46 ALA 47 GLU 48 GLU 49 ASN 50 GLU 51 SER 52 LEU 53 ASP 54 ASP 55 GLN 56 ASN 57 ILE 58 SER 59 ILE 60 ALA 61 GLY 62 HIS 63 THR 64 PHE 65 ILE 66 ASP 67 ARG 68 PRO 69 ASN 70 TYR 71 GLN 72 PHE 73 THR 74 ASN 75 LEU 76 LYS 77 ALA 78 ALA 79 LYS 80 LYS 81 GLY 82 SER 83 MET 84 VAL 85 TYR 86 PHE 87 LYS 88 VAL 89 GLY 90 ASN 91 GLU 92 THR 93 ARG 94 LYS 95 TYR 96 LYS 97 MET 98 THR 99 SER 100 ILE 101 ARG 102 ASP 103 VAL 104 LYS 105 PRO 106 THR 107 ASP 108 VAL 109 GLY 110 VAL 111 LEU 112 ASP 113 GLU 114 GLN 115 LYS 116 GLY 117 LYS 118 ASP 119 LYS 120 GLN 121 LEU 122 THR 123 LEU 124 ILE 125 THR 126 CYS 127 ASP 128 ASP 129 TYR 130 ASN 131 GLU 132 LYS 133 THR 134 GLY 135 VAL 136 TRP 137 GLU 138 LYS 139 ARG 140 LYS 141 ILE 142 PHE 143 VAL 144 ALA 145 THR 146 GLU 147 VAL 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 16270 Sortase_A 100.00 148 100.00 100.00 2.21e-103 BMRB 19624 circular_sortase_A 99.32 156 99.32 99.32 1.99e-101 BMRB 19826 sortase_A 100.00 148 99.32 99.32 2.50e-102 PDB 1IJA "Structure Of Sortase" 100.00 148 100.00 100.00 2.21e-103 PDB 1T2O "Crystal Structure Of Se-Srta, C184-Ala" 98.65 146 97.95 97.95 3.50e-98 PDB 1T2P "Crystal Structure Of Sortase A From Staphylococcus Aureus" 98.65 146 100.00 100.00 1.10e-101 PDB 1T2W "Crystal Structure Of Sortase A In Complex With A Lpetg Peptide" 97.97 145 99.31 99.31 1.16e-99 PDB 2KID "Solution Structure Of The S. Aureus Sortase A-Substrate Complex" 100.00 148 100.00 100.00 2.21e-103 PDB 2MLM "Solution Structure Of Sortase A From S. Aureus In Complex With Benzo[d]isothiazol-3-one Based Inhibitor" 100.00 148 99.32 99.32 2.50e-102 DBJ BAB43619 "sortase [Staphylococcus aureus subsp. aureus N315]" 99.32 206 99.32 99.32 5.71e-101 DBJ BAB58690 "sortase [Staphylococcus aureus subsp. aureus Mu50]" 99.32 206 99.32 99.32 5.71e-101 DBJ BAB96313 "sortase [Staphylococcus aureus subsp. aureus MW2]" 99.32 206 99.32 99.32 3.61e-101 DBJ BAF68698 "sortase A, peptide LPXTG peptidoglycan transferase [Staphylococcus aureus subsp. aureus str. Newman]" 99.32 206 100.00 100.00 3.10e-102 DBJ BAF79395 "sortase [Staphylococcus aureus subsp. aureus Mu3]" 99.32 206 99.32 99.32 5.71e-101 EMBL CAG41587 "sortase A [Staphylococcus aureus subsp. aureus MRSA252]" 99.32 206 99.32 99.32 5.71e-101 EMBL CAG44229 "sortase A [Staphylococcus aureus subsp. aureus MSSA476]" 99.32 206 99.32 99.32 3.61e-101 EMBL CAI82090 "sortase [Staphylococcus aureus RF122]" 99.32 206 97.28 97.28 1.16e-98 EMBL CAQ50958 "sortase [Staphylococcus aureus subsp. aureus ST398]" 99.32 206 98.64 98.64 3.57e-100 EMBL CBI50513 "sortase A [Staphylococcus aureus subsp. aureus TW20]" 99.32 206 100.00 100.00 3.10e-102 GB AAD48437 "sortase [Staphylococcus aureus]" 99.32 206 100.00 100.00 3.10e-102 GB AAW37316 "sortase [Staphylococcus aureus subsp. aureus COL]" 99.32 206 100.00 100.00 3.10e-102 GB ABD22861 "sortase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" 99.32 206 100.00 100.00 3.10e-102 GB ABD31836 "sortase, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" 99.32 206 100.00 100.00 3.10e-102 GB ABQ50328 "sortase family protein [Staphylococcus aureus subsp. aureus JH9]" 99.32 206 99.32 99.32 5.71e-101 REF NP_373052 "sortase [Staphylococcus aureus subsp. aureus Mu50]" 99.32 206 99.32 99.32 5.71e-101 REF NP_375640 "sortase [Staphylococcus aureus subsp. aureus N315]" 99.32 206 99.32 99.32 5.71e-101 REF NP_647265 "sortase [Staphylococcus aureus subsp. aureus MW2]" 99.32 206 99.32 99.32 3.61e-101 REF WP_000759357 "sortase A [Staphylococcus aureus]" 99.32 206 98.64 98.64 3.46e-100 REF WP_000759358 "sortase A [Staphylococcus aureus]" 99.32 206 97.96 98.64 4.54e-100 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sortase . 1280 Eubacteria . Staphylococcus aureus 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 $Sortase 'recombinant technology' . . . . . 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 $Sortase 2.5 mM . Tris 50 mM . NaCl 100 mM . CaCl2 10 mM . DTT 3 mM . D2O 7 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_CT-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label . save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-COSY' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_13C-1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _Sample_label . save_ save_3D_1H-1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_3D_1H-13C-1H_HCC-TOCSY-CCH-E.COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCC-TOCSY-CCH-E.COSY' _Sample_label . save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HCACO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label . save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CO)CA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HNHA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HNHB_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_4D_1H-15N-1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-15N-1H-13C NOESY' _Sample_label . save_ save_4D_1H-13C-13C-1H_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C-13C-1H NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCC-TOCSY-CCH-E.COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-15N-1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_18 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C-13C-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Cond-1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.2 0.1 n/a temperature 308 1 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 0.0 . indirect . . . 0.251449530 TMS H 1 'methyl protons' ppm 0.0 external indirect . . . . DSS N 15 'methyl protons' ppm 0.0 . 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_Shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C CT-HSQC' '2D 1H-15N HSQC' '3D 1H-13C-1H HCCH-COSY' '3D 1H-1H-15N NOESY' '3D 13C-1H-1H NOESY' '3D 1H-1H-15N TOCSY' '3D 1H-13C-1H HCCH-TOCSY' '3D 1H-13C-1H HCC-TOCSY-CCH-E.COSY' '3D CBCA(CO)NH' '3D HNCACB' '3D HCACO' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HNHA' '3D HNHB' '4D 1H-15N-1H-13C NOESY' '4D 1H-13C-13C-1H NOESY' stop_ loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $Cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Sortase _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 . 1 MET CE C 17.02 . 1 2 . 1 MET HE H 2.09 . 1 3 . 2 GLN CA C 55.99 . 1 4 . 2 GLN HA H 4.36 . 1 5 . 2 GLN CB C 29.76 . 1 6 . 2 GLN HB2 H 1.99 . 1 7 . 2 GLN HB3 H 2.07 . 1 8 . 2 GLN CG C 34.11 . 1 9 . 2 GLN HG2 H 2.00 . 2 10 . 2 GLN HG3 H 2.38 . 2 11 . 2 GLN C C 175.24 . 1 12 . 3 ALA N N 126.94 . 1 13 . 3 ALA H H 8.42 . 1 14 . 3 ALA CA C 52.42 . 1 15 . 3 ALA HA H 4.31 . 1 16 . 3 ALA CB C 19.54 . 1 17 . 3 ALA HB H 1.36 . 1 18 . 3 ALA C C 177.33 . 1 19 . 4 LYS N N 122.33 . 1 20 . 4 LYS H H 8.21 . 1 21 . 4 LYS CA C 54.48 . 1 22 . 4 LYS HA H 4.56 . 1 23 . 4 LYS CB C 32.36 . 1 24 . 4 LYS HB2 H 1.70 . 1 25 . 4 LYS HB3 H 1.84 . 1 26 . 4 LYS CG C 24.78 . 1 27 . 4 LYS CD C 29.41 . 1 28 . 4 LYS CE C 41.96 . 1 29 . 5 PRO CA C 63.21 . 1 30 . 5 PRO HA H 4.43 . 1 31 . 5 PRO CB C 31.94 . 1 32 . 5 PRO HB2 H 1.79 . 1 33 . 5 PRO HB3 H 2.23 . 1 34 . 5 PRO CG C 27.08 . 1 35 . 5 PRO HG2 H 2.02 . 1 36 . 5 PRO HG3 H 2.02 . 1 37 . 5 PRO CD C 50.70 . 1 38 . 5 PRO HD2 H 3.62 . 1 39 . 5 PRO HD3 H 3.82 . 1 40 . 5 PRO C C 175.75 . 1 41 . 6 GLN N N 118.85 . 1 42 . 6 GLN H H 8.21 . 1 43 . 6 GLN CA C 54.40 . 1 44 . 6 GLN HA H 4.54 . 1 45 . 6 GLN CB C 31.86 . 1 46 . 6 GLN HB2 H 2.04 . 1 47 . 6 GLN HB3 H 1.80 . 1 48 . 6 GLN CG C 33.62 . 1 49 . 6 GLN HG2 H 2.30 . 1 50 . 6 GLN HG3 H 2.30 . 1 51 . 6 GLN C C 175.53 . 1 52 . 7 ILE N N 124.91 . 1 53 . 7 ILE H H 8.47 . 1 54 . 7 ILE CA C 60.27 . 1 55 . 7 ILE HA H 4.27 . 1 56 . 7 ILE CB C 39.15 . 1 57 . 7 ILE HB H 1.70 . 1 58 . 7 ILE CG1 C 28.66 . 1 59 . 7 ILE HG12 H 0.73 . 1 60 . 7 ILE HG13 H 1.57 . 1 61 . 7 ILE CG2 C 16.98 . 1 62 . 7 ILE HG2 H 1.06 . 1 63 . 7 ILE CD1 C 12.39 . 1 64 . 7 ILE HD1 H 0.17 . 1 65 . 8 PRO CA C 65.20 . 1 66 . 8 PRO HA H 4.42 . 1 67 . 8 PRO CB C 32.49 . 1 68 . 8 PRO HB2 H 2.01 . 1 69 . 8 PRO HB3 H 2.35 . 1 70 . 8 PRO CG C 28.01 . 1 71 . 8 PRO HG2 H 2.18 . 1 72 . 8 PRO HG3 H 2.18 . 1 73 . 8 PRO CD C 50.80 . 1 74 . 8 PRO HD2 H 3.90 . 1 75 . 8 PRO HD3 H 3.99 . 1 76 . 8 PRO C C 176.97 . 1 77 . 9 LYS N N 119.32 . 2 78 . 9 LYS H H 8.15 . 2 79 . 9 LYS CA C 56.58 . 1 80 . 9 LYS HA H 4.28 . 1 81 . 9 LYS CB C 32.53 . 1 82 . 9 LYS HB2 H 1.77 . 1 83 . 9 LYS HB3 H 1.91 . 1 84 . 9 LYS CG C 25.20 . 1 85 . 9 LYS HG2 H 1.30 . 1 86 . 9 LYS HG3 H 1.47 . 1 87 . 9 LYS CD C 28.92 . 1 88 . 9 LYS CE C 42.52 . 1 89 . 9 LYS C C 177.25 . 1 90 . 10 ASP N N 119.19 . 1 91 . 10 ASP H H 7.35 . 1 92 . 10 ASP CA C 53.56 . 1 93 . 10 ASP HA H 4.59 . 1 94 . 10 ASP CB C 41.49 . 1 95 . 10 ASP HB2 H 2.79 . 1 96 . 10 ASP HB3 H 2.63 . 1 97 . 10 ASP C C 176.65 . 1 98 . 11 LYS N N 124.37 . 1 99 . 11 LYS H H 8.39 . 1 100 . 11 LYS CA C 58.59 . 1 101 . 11 LYS HA H 3.91 . 1 102 . 11 LYS CB C 31.86 . 1 103 . 11 LYS HB2 H 1.76 . 1 104 . 11 LYS HB3 H 2.09 . 1 105 . 11 LYS CG C 25.83 . 1 106 . 11 LYS HG2 H 1.52 . 2 107 . 11 LYS HG3 H 1.65 . 2 108 . 11 LYS CD C 29.27 . 1 109 . 11 LYS HD2 H 1.65 . 2 110 . 11 LYS HD3 H 1.50 . 2 111 . 11 LYS CE C 42.73 . 1 112 . 11 LYS HE2 H 3.14 . 1 113 . 11 LYS HE3 H 3.14 . 1 114 . 11 LYS C C 175.77 . 1 115 . 12 SER N N 111.49 . 1 116 . 12 SER H H 8.62 . 1 117 . 12 SER CA C 58.64 . 1 118 . 12 SER HA H 4.31 . 1 119 . 12 SER CB C 64.94 . 1 120 . 12 SER HB2 H 3.78 . 1 121 . 12 SER HB3 H 4.06 . 1 122 . 12 SER C C 174.08 . 1 123 . 13 LYS N N 124.56 . 1 124 . 13 LYS H H 7.60 . 1 125 . 13 LYS CA C 55.12 . 1 126 . 13 LYS HA H 4.51 . 1 127 . 13 LYS CB C 33.82 . 1 128 . 13 LYS HB2 H 1.90 . 1 129 . 13 LYS HB3 H 1.77 . 1 130 . 13 LYS CG C 25.15 . 1 131 . 13 LYS CD C 28.93 . 1 132 . 13 LYS C C 174.05 . 1 133 . 14 VAL N N 120.19 . 1 134 . 14 VAL H H 7.76 . 1 135 . 14 VAL CA C 64.46 . 1 136 . 14 VAL HA H 2.93 . 1 137 . 14 VAL CB C 32.81 . 1 138 . 14 VAL HB H 1.71 . 1 139 . 14 VAL CG1 C 23.18 . 1 140 . 14 VAL HG1 H 0.66 . 2 141 . 14 VAL CG2 C 22.29 . 1 142 . 14 VAL HG2 H 0.52 . 2 143 . 14 VAL C C 176.72 . 1 144 . 15 ALA N N 128.73 . 1 145 . 15 ALA H H 9.31 . 1 146 . 15 ALA CA C 52.59 . 1 147 . 15 ALA HA H 4.41 . 1 148 . 15 ALA CB C 22.02 . 1 149 . 15 ALA HB H 1.44 . 1 150 . 15 ALA C C 176.96 . 1 151 . 16 GLY N N 104.64 . 1 152 . 16 GLY H H 7.38 . 1 153 . 16 GLY CA C 45.57 . 1 154 . 16 GLY HA2 H 4.03 . 1 155 . 16 GLY HA3 H 4.14 . 1 156 . 16 GLY C C 170.17 . 1 157 . 17 TYR N N 117.85 . 1 158 . 17 TYR H H 8.91 . 1 159 . 17 TYR CA C 57.90 . 1 160 . 17 TYR HA H 5.25 . 1 161 . 17 TYR CB C 43.25 . 1 162 . 17 TYR HB2 H 2.70 . 1 163 . 17 TYR HB3 H 2.81 . 1 164 . 17 TYR CD1 C 133.14 . 1 165 . 17 TYR HD1 H 6.85 . 1 166 . 17 TYR CD2 C 133.14 . 1 167 . 17 TYR HD2 H 6.85 . 1 168 . 17 TYR CE1 C 118.12 . 1 169 . 17 TYR HE1 H 6.69 . 1 170 . 17 TYR CE2 C 118.12 . 1 171 . 17 TYR HE2 H 6.69 . 1 172 . 17 TYR C C 174.37 . 1 173 . 18 ILE N N 123.08 . 1 174 . 18 ILE H H 9.40 . 1 175 . 18 ILE CA C 57.47 . 1 176 . 18 ILE HA H 5.58 . 1 177 . 18 ILE CB C 42.99 . 1 178 . 18 ILE HB H 1.41 . 1 179 . 18 ILE CG1 C 29.01 . 1 180 . 18 ILE HG12 H 0.95 . 1 181 . 18 ILE HG13 H 1.37 . 1 182 . 18 ILE CG2 C 17.40 . 1 183 . 18 ILE HG2 H 0.86 . 1 184 . 18 ILE CD1 C 15.30 . 1 185 . 18 ILE HD1 H 0.57 . 1 186 . 18 ILE C C 172.86 . 1 187 . 19 GLU N N 126.41 . 1 188 . 19 GLU H H 9.25 . 1 189 . 19 GLU CA C 54.78 . 1 190 . 19 GLU HA H 5.43 . 1 191 . 19 GLU CB C 33.99 . 1 192 . 19 GLU HB2 H 2.12 . 1 193 . 19 GLU HB3 H 2.12 . 1 194 . 19 GLU CG C 36.47 . 1 195 . 19 GLU HG2 H 2.32 . 1 196 . 19 GLU HG3 H 2.32 . 1 197 . 19 GLU C C 175.91 . 1 198 . 20 ILE N N 122.01 . 1 199 . 20 ILE H H 8.79 . 1 200 . 20 ILE CA C 58.75 . 1 201 . 20 ILE HA H 4.96 . 1 202 . 20 ILE CB C 39.73 . 1 203 . 20 ILE HB H 1.88 . 1 204 . 20 ILE CG1 C 28.28 . 1 205 . 20 ILE HG12 H 0.95 . 1 206 . 20 ILE HG13 H 1.44 . 1 207 . 20 ILE CG2 C 18.67 . 1 208 . 20 ILE HG2 H 0.72 . 1 209 . 20 ILE CD1 C 15.71 . 1 210 . 20 ILE HD1 H 0.44 . 1 211 . 21 PRO CA C 66.40 . 1 212 . 21 PRO HA H 4.55 . 1 213 . 21 PRO CB C 32.15 . 1 214 . 21 PRO HB2 H 2.32 . 2 215 . 21 PRO HB3 H 2.52 . 2 216 . 21 PRO CG C 27.52 . 1 217 . 21 PRO HG2 H 2.19 . 1 218 . 21 PRO HG3 H 2.19 . 1 219 . 21 PRO CD C 50.84 . 1 220 . 21 PRO HD2 H 3.58 . 1 221 . 21 PRO HD3 H 4.21 . 1 222 . 21 PRO C C 180.26 . 1 223 . 22 ASP N N 118.25 . 1 224 . 22 ASP H H 9.74 . 1 225 . 22 ASP CA C 57.14 . 1 226 . 22 ASP HA H 4.42 . 1 227 . 22 ASP CB C 40.21 . 1 228 . 22 ASP HB2 H 2.42 . 1 229 . 22 ASP HB3 H 2.73 . 1 230 . 22 ASP C C 175.92 . 1 231 . 23 ALA N N 117.71 . 1 232 . 23 ALA H H 7.45 . 1 233 . 23 ALA CA C 50.20 . 1 234 . 23 ALA HA H 4.48 . 1 235 . 23 ALA CB C 21.78 . 1 236 . 23 ALA HB H 1.11 . 1 237 . 23 ALA C C 175.85 . 1 238 . 24 ASP N N 119.37 . 1 239 . 24 ASP H H 8.05 . 1 240 . 24 ASP CA C 55.79 . 1 241 . 24 ASP HA H 4.29 . 1 242 . 24 ASP CB C 39.95 . 1 243 . 24 ASP HB2 H 3.05 . 1 244 . 24 ASP HB3 H 2.53 . 1 245 . 24 ASP C C 174.61 . 1 246 . 25 ILE N N 116.45 . 1 247 . 25 ILE H H 7.02 . 1 248 . 25 ILE CA C 61.01 . 1 249 . 25 ILE HA H 4.40 . 1 250 . 25 ILE CB C 40.64 . 1 251 . 25 ILE HB H 1.42 . 1 252 . 25 ILE CG1 C 28.11 . 1 253 . 25 ILE HG12 H 1.27 . 1 254 . 25 ILE HG13 H 1.70 . 1 255 . 25 ILE CG2 C 16.50 . 1 256 . 25 ILE HG2 H 0.90 . 1 257 . 25 ILE CD1 C 15.40 . 1 258 . 25 ILE HD1 H 0.65 . 1 259 . 25 ILE C C 176.54 . 1 260 . 26 LYS N N 133.65 . 1 261 . 26 LYS H H 9.30 . 1 262 . 26 LYS CA C 57.31 . 1 263 . 26 LYS HA H 5.07 . 1 264 . 26 LYS CB C 33.73 . 1 265 . 26 LYS HB2 H 1.90 . 1 266 . 26 LYS HB3 H 1.77 . 1 267 . 26 LYS CG C 25.15 . 2 268 . 26 LYS HG2 H 1.61 . 2 269 . 26 LYS HG3 H 1.27 . 2 270 . 26 LYS CD C 30.10 . 2 271 . 26 LYS HD2 H 1.33 . 2 272 . 26 LYS CE C 42.13 . 1 273 . 26 LYS HE2 H 2.83 . 1 274 . 26 LYS HE3 H 2.83 . 1 275 . 26 LYS C C 175.01 . 1 276 . 27 GLU N N 123.98 . 1 277 . 27 GLU H H 8.88 . 1 278 . 27 GLU CA C 52.84 . 1 279 . 27 GLU HA H 5.22 . 1 280 . 27 GLU CB C 34.52 . 1 281 . 27 GLU HB2 H 1.39 . 1 282 . 27 GLU HB3 H 2.09 . 1 283 . 27 GLU CG C 35.39 . 2 284 . 27 GLU HG2 H 1.90 . 2 285 . 28 PRO CA C 62.02 . 1 286 . 28 PRO HA H 4.31 . 1 287 . 28 PRO CB C 32.82 . 1 288 . 28 PRO HB2 H 1.49 . 1 289 . 28 PRO HB3 H 1.95 . 1 290 . 28 PRO CG C 27.10 . 1 291 . 28 PRO HG2 H 2.22 . 1 292 . 28 PRO HG3 H 2.36 . 1 293 . 28 PRO CD C 51.00 . 1 294 . 28 PRO HD2 H 3.89 . 1 295 . 28 PRO HD3 H 4.17 . 1 296 . 28 PRO C C 174.59 . 1 297 . 29 VAL N N 120.42 . 1 298 . 29 VAL H H 8.18 . 1 299 . 29 VAL CA C 60.26 . 1 300 . 29 VAL HA H 4.21 . 1 301 . 29 VAL CB C 33.39 . 1 302 . 29 VAL HB H 1.15 . 1 303 . 29 VAL CG1 C 21.40 . 1 304 . 29 VAL HG1 H 0.53 . 2 305 . 29 VAL CG2 C 21.43 . 1 306 . 29 VAL HG2 H -0.06 . 2 307 . 29 VAL C C 174.93 . 1 308 . 30 TYR N N 127.80 . 1 309 . 30 TYR H H 9.24 . 1 310 . 30 TYR CA C 58.00 . 1 311 . 30 TYR HA H 4.67 . 1 312 . 30 TYR CB C 38.48 . 1 313 . 30 TYR HB2 H 2.79 . 1 314 . 30 TYR HB3 H 2.93 . 1 315 . 30 TYR CD1 C 133.19 . 1 316 . 30 TYR HD1 H 6.91 . 1 317 . 30 TYR CD2 C 133.19 . 1 318 . 30 TYR HD2 H 6.91 . 1 319 . 30 TYR CE1 C 117.66 . 1 320 . 30 TYR HE1 H 6.58 . 1 321 . 30 TYR CE2 C 117.66 . 1 322 . 30 TYR HE2 H 6.58 . 1 323 . 31 PRO CA C 64.20 . 1 324 . 31 PRO HA H 4.53 . 1 325 . 31 PRO CB C 33.55 . 1 326 . 31 PRO HB2 H 1.78 . 1 327 . 31 PRO HB3 H 2.65 . 1 328 . 31 PRO CG C 30.16 . 1 329 . 31 PRO HG2 H 2.52 . 1 330 . 31 PRO HG3 H 1.82 . 1 331 . 31 PRO CD C 51.73 . 1 332 . 31 PRO HD2 H 3.71 . 1 333 . 31 PRO HD3 H 4.54 . 1 334 . 31 PRO C C 174.47 . 1 335 . 32 GLY N N 106.60 . 1 336 . 32 GLY H H 8.65 . 1 337 . 32 GLY CA C 44.55 . 1 338 . 32 GLY HA2 H 3.48 . 1 339 . 32 GLY HA3 H 4.28 . 1 340 . 32 GLY C C 172.72 . 1 341 . 33 PRO CA C 62.01 . 1 342 . 33 PRO HA H 4.09 . 1 343 . 33 PRO CB C 35.51 . 1 344 . 33 PRO HB2 H 2.23 . 2 345 . 33 PRO HB3 H 2.45 . 2 346 . 33 PRO CG C 24.36 . 1 347 . 33 PRO HG2 H 1.91 . 2 348 . 33 PRO HG3 H 2.07 . 2 349 . 33 PRO CD C 50.18 . 2 350 . 33 PRO HD2 H 3.45 . 2 351 . 33 PRO HD3 H 3.63 . 2 352 . 33 PRO C C 176.03 . 1 353 . 34 ALA N N 122.53 . 1 354 . 34 ALA H H 7.41 . 1 355 . 34 ALA CA C 51.67 . 1 356 . 34 ALA HA H 4.36 . 1 357 . 34 ALA CB C 18.10 . 1 358 . 34 ALA HB H 1.24 . 1 359 . 34 ALA C C 176.52 . 1 360 . 35 THR N N 114.93 . 1 361 . 35 THR H H 7.77 . 1 362 . 35 THR CA C 59.67 . 1 363 . 35 THR HA H 4.47 . 1 364 . 35 THR CB C 68.64 . 1 365 . 35 THR HB H 4.59 . 1 366 . 35 THR CG2 C 22.89 . 1 367 . 35 THR HG2 H 1.26 . 1 368 . 36 PRO CA C 66.75 . 1 369 . 36 PRO HA H 4.19 . 1 370 . 36 PRO CB C 31.37 . 1 371 . 36 PRO HB2 H 1.73 . 1 372 . 36 PRO HB3 H 2.23 . 1 373 . 36 PRO CG C 27.87 . 1 374 . 36 PRO HG2 H 0.94 . 1 375 . 36 PRO HG3 H 1.40 . 1 376 . 36 PRO CD C 49.44 . 1 377 . 36 PRO HD2 H 3.36 . 1 378 . 36 PRO HD3 H 2.44 . 1 379 . 36 PRO C C 178.69 . 1 380 . 37 GLU N N 115.52 . 1 381 . 37 GLU H H 8.26 . 1 382 . 37 GLU CA C 59.98 . 1 383 . 37 GLU HA H 3.95 . 1 384 . 37 GLU CB C 29.41 . 1 385 . 37 GLU HB2 H 1.86 . 1 386 . 37 GLU HB3 H 2.00 . 1 387 . 37 GLU CG C 36.84 . 1 388 . 37 GLU HG2 H 2.18 . 2 389 . 37 GLU HG3 H 2.28 . 2 390 . 37 GLU C C 178.90 . 1 391 . 38 GLN N N 122.48 . 1 392 . 38 GLN H H 7.65 . 1 393 . 38 GLN CA C 58.09 . 1 394 . 38 GLN HA H 4.46 . 1 395 . 38 GLN CB C 29.20 . 1 396 . 38 GLN HB2 H 2.17 . 1 397 . 38 GLN HB3 H 2.17 . 1 398 . 38 GLN CG C 32.35 . 1 399 . 38 GLN HG2 H 2.55 . 1 400 . 38 GLN HG3 H 2.91 . 1 401 . 38 GLN NE2 N 113.20 . 1 402 . 38 GLN HE21 H 7.47 . 1 403 . 38 GLN HE22 H 8.05 . 1 404 . 38 GLN C C 178.92 . 1 405 . 39 LEU N N 116.96 . 1 406 . 39 LEU H H 8.39 . 1 407 . 39 LEU CA C 56.41 . 1 408 . 39 LEU HA H 4.79 . 1 409 . 39 LEU CB C 40.99 . 1 410 . 39 LEU HB2 H 1.46 . 1 411 . 39 LEU HB3 H 1.16 . 1 412 . 39 LEU CG C 27.24 . 1 413 . 39 LEU HG H 1.37 . 1 414 . 39 LEU CD1 C 25.30 . 1 415 . 39 LEU HD1 H 0.00 . 2 416 . 39 LEU CD2 C 23.40 . 1 417 . 39 LEU HD2 H 0.41 . 2 418 . 39 LEU C C 178.72 . 1 419 . 40 ASN N N 116.19 . 1 420 . 40 ASN H H 7.45 . 1 421 . 40 ASN CA C 55.41 . 1 422 . 40 ASN HA H 4.64 . 1 423 . 40 ASN CB C 38.67 . 1 424 . 40 ASN HB2 H 2.92 . 1 425 . 40 ASN HB3 H 2.79 . 1 426 . 40 ASN ND2 N 112.94 . 1 427 . 40 ASN HD21 H 7.55 . 2 428 . 40 ASN HD22 H 6.87 . 2 429 . 40 ASN C C 177.68 . 1 430 . 41 ARG N N 121.48 . 1 431 . 41 ARG H H 7.71 . 1 432 . 41 ARG CA C 58.25 . 1 433 . 41 ARG HA H 3.99 . 1 434 . 41 ARG CB C 29.62 . 1 435 . 41 ARG HB2 H 1.15 . 1 436 . 41 ARG HB3 H 1.50 . 1 437 . 41 ARG CG C 27.06 . 1 438 . 41 ARG HG2 H 0.76 . 1 439 . 41 ARG HG3 H 1.26 . 1 440 . 41 ARG CD C 44.06 . 1 441 . 41 ARG HD2 H 2.57 . 1 442 . 41 ARG HD3 H 2.75 . 1 443 . 41 ARG C C 176.82 . 1 444 . 42 GLY N N 105.77 . 1 445 . 42 GLY H H 7.69 . 1 446 . 42 GLY CA C 46.20 . 1 447 . 42 GLY HA2 H 4.11 . 1 448 . 42 GLY HA3 H 3.85 . 1 449 . 42 GLY C C 171.23 . 1 450 . 43 VAL N N 117.58 . 1 451 . 43 VAL H H 8.42 . 1 452 . 43 VAL CA C 63.70 . 1 453 . 43 VAL HA H 3.76 . 1 454 . 43 VAL CB C 29.93 . 1 455 . 43 VAL HB H 1.88 . 1 456 . 43 VAL CG1 C 22.37 . 1 457 . 43 VAL HG1 H 0.14 . 2 458 . 43 VAL CG2 C 21.14 . 1 459 . 43 VAL HG2 H 0.32 . 2 460 . 43 VAL C C 175.31 . 1 461 . 44 SER N N 118.06 . 1 462 . 44 SER H H 8.09 . 1 463 . 44 SER CA C 57.84 . 1 464 . 44 SER HA H 5.53 . 1 465 . 44 SER CB C 68.73 . 1 466 . 44 SER HB2 H 3.16 . 1 467 . 44 SER HB3 H 3.60 . 1 468 . 44 SER C C 173.83 . 1 469 . 45 PHE N N 120.65 . 1 470 . 45 PHE H H 7.89 . 1 471 . 45 PHE CA C 59.46 . 1 472 . 45 PHE HA H 4.85 . 1 473 . 45 PHE CB C 38.30 . 1 474 . 45 PHE HB2 H 2.88 . 1 475 . 45 PHE HB3 H 3.36 . 1 476 . 45 PHE CD1 C 132.64 . 1 477 . 45 PHE HD1 H 7.36 . 1 478 . 45 PHE CD2 C 132.64 . 1 479 . 45 PHE HD2 H 7.36 . 1 480 . 45 PHE CE1 C 130.35 . 1 481 . 45 PHE HE1 H 6.86 . 1 482 . 45 PHE CE2 C 130.35 . 1 483 . 45 PHE HE2 H 6.86 . 1 484 . 45 PHE C C 175.38 . 1 485 . 46 ALA N N 121.11 . 1 486 . 46 ALA H H 7.79 . 1 487 . 46 ALA CA C 55.49 . 1 488 . 46 ALA HA H 4.00 . 1 489 . 46 ALA CB C 19.18 . 1 490 . 46 ALA HB H 1.37 . 1 491 . 46 ALA C C 179.96 . 1 492 . 47 GLU N N 115.78 . 1 493 . 47 GLU H H 8.96 . 1 494 . 47 GLU CA C 54.73 . 1 495 . 47 GLU HA H 4.71 . 1 496 . 47 GLU CB C 33.70 . 1 497 . 47 GLU HB2 H 1.88 . 1 498 . 47 GLU HB3 H 2.29 . 1 499 . 47 GLU CG C 37.72 . 1 500 . 47 GLU C C 176.61 . 1 501 . 48 GLU N N 122.72 . 1 502 . 48 GLU H H 9.16 . 1 503 . 48 GLU CA C 58.76 . 1 504 . 48 GLU HA H 3.65 . 1 505 . 48 GLU CB C 30.18 . 1 506 . 48 GLU HB2 H 1.95 . 1 507 . 48 GLU HB3 H 1.95 . 1 508 . 48 GLU CG C 36.05 . 1 509 . 48 GLU HG2 H 2.20 . 1 510 . 48 GLU HG3 H 2.28 . 1 511 . 48 GLU C C 176.26 . 1 512 . 49 ASN N N 114.81 . 1 513 . 49 ASN H H 8.22 . 1 514 . 49 ASN CA C 52.72 . 1 515 . 49 ASN HA H 4.78 . 1 516 . 49 ASN CB C 37.28 . 1 517 . 49 ASN HB2 H 2.80 . 1 518 . 49 ASN HB3 H 2.80 . 1 519 . 49 ASN ND2 N 112.48 . 1 520 . 49 ASN HD21 H 6.81 . 2 521 . 49 ASN HD22 H 7.46 . 2 522 . 49 ASN C C 174.53 . 1 523 . 50 GLU N N 120.65 . 1 524 . 50 GLU H H 6.63 . 1 525 . 50 GLU CA C 55.74 . 1 526 . 50 GLU HA H 4.25 . 1 527 . 50 GLU CB C 29.70 . 1 528 . 50 GLU HB2 H 2.24 . 1 529 . 50 GLU HB3 H 1.35 . 1 530 . 50 GLU CG C 36.28 . 1 531 . 50 GLU HG2 H 2.07 . 1 532 . 50 GLU HG3 H 1.64 . 1 533 . 50 GLU C C 173.65 . 1 534 . 51 SER N N 120.39 . 1 535 . 51 SER H H 9.51 . 1 536 . 51 SER CA C 56.08 . 1 537 . 51 SER HA H 4.72 . 1 538 . 51 SER CB C 65.80 . 1 539 . 51 SER HB2 H 3.63 . 1 540 . 51 SER HB3 H 3.79 . 1 541 . 51 SER C C 174.92 . 1 542 . 52 LEU N N 123.66 . 1 543 . 52 LEU H H 8.72 . 1 544 . 52 LEU CA C 56.29 . 1 545 . 52 LEU HA H 4.28 . 1 546 . 52 LEU CB C 40.30 . 1 547 . 52 LEU HB2 H 1.53 . 1 548 . 52 LEU HB3 H 1.81 . 1 549 . 52 LEU CG C 27.10 . 2 550 . 52 LEU HG H 1.68 . 2 551 . 52 LEU CD1 C 22.87 . 1 552 . 52 LEU HD1 H 0.83 . 2 553 . 52 LEU CD2 C 25.80 . 2 554 . 52 LEU HD2 H 0.74 . 2 555 . 52 LEU C C 177.18 . 1 556 . 53 ASP N N 119.08 . 1 557 . 53 ASP H H 8.19 . 1 558 . 53 ASP CA C 54.35 . 1 559 . 53 ASP HA H 4.84 . 1 560 . 53 ASP CB C 41.91 . 1 561 . 53 ASP HB2 H 2.83 . 1 562 . 53 ASP HB3 H 2.45 . 1 563 . 53 ASP C C 176.01 . 1 564 . 54 ASP N N 122.80 . 1 565 . 54 ASP H H 7.28 . 1 566 . 54 ASP CA C 55.49 . 1 567 . 54 ASP HA H 4.39 . 1 568 . 54 ASP CB C 40.74 . 1 569 . 54 ASP HB2 H 2.83 . 1 570 . 54 ASP HB3 H 3.01 . 1 571 . 54 ASP C C 176.67 . 1 572 . 55 GLN N N 119.58 . 2 573 . 55 GLN H H 8.17 . 2 574 . 55 GLN CA C 55.63 . 2 575 . 55 GLN HA H 3.98 . 2 576 . 55 GLN CB C 31.30 . 1 577 . 55 GLN HB2 H 2.58 . 2 578 . 55 GLN CG C 34.18 . 1 579 . 55 GLN NE2 N 112.73 . 1 580 . 55 GLN HE21 H 6.31 . 2 581 . 55 GLN HE22 H 6.54 . 2 582 . 55 GLN C C 175.28 . 1 583 . 56 ASN N N 115.35 . 1 584 . 56 ASN H H 9.16 . 1 585 . 56 ASN CA C 51.22 . 1 586 . 56 ASN HA H 5.06 . 1 587 . 56 ASN CB C 38.39 . 1 588 . 56 ASN HB2 H 2.80 . 1 589 . 56 ASN HB3 H 2.85 . 1 590 . 56 ASN ND2 N 107.24 . 1 591 . 56 ASN HD21 H 6.14 . 1 592 . 56 ASN HD22 H 6.95 . 1 593 . 56 ASN C C 175.06 . 1 594 . 57 ILE N N 132.68 . 1 595 . 57 ILE H H 8.08 . 1 596 . 57 ILE CA C 61.27 . 1 597 . 57 ILE HA H 4.29 . 1 598 . 57 ILE CB C 39.02 . 1 599 . 57 ILE HB H 1.65 . 1 600 . 57 ILE CG1 C 27.79 . 1 601 . 57 ILE HG12 H 1.10 . 1 602 . 57 ILE HG13 H 1.58 . 1 603 . 57 ILE CG2 C 17.67 . 1 604 . 57 ILE HG2 H 0.67 . 1 605 . 57 ILE CD1 C 14.90 . 1 606 . 57 ILE HD1 H 0.95 . 1 607 . 57 ILE C C 174.36 . 1 608 . 58 SER N N 123.56 . 1 609 . 58 SER H H 8.37 . 1 610 . 58 SER CA C 57.38 . 1 611 . 58 SER HA H 5.81 . 1 612 . 58 SER CB C 64.43 . 1 613 . 58 SER HB2 H 4.04 . 1 614 . 58 SER HB3 H 3.49 . 1 615 . 58 SER C C 174.82 . 1 616 . 59 ILE N N 127.59 . 1 617 . 59 ILE H H 9.19 . 1 618 . 59 ILE CA C 61.77 . 1 619 . 59 ILE HA H 4.24 . 1 620 . 59 ILE CB C 41.98 . 1 621 . 59 ILE HB H 1.39 . 1 622 . 59 ILE CG1 C 27.78 . 1 623 . 59 ILE HG12 H 0.48 . 1 624 . 59 ILE HG13 H 1.42 . 1 625 . 59 ILE CG2 C 18.84 . 1 626 . 59 ILE HG2 H 0.48 . 1 627 . 59 ILE CD1 C 14.36 . 1 628 . 59 ILE HD1 H 0.16 . 1 629 . 59 ILE C C 172.42 . 1 630 . 60 ALA N N 130.79 . 1 631 . 60 ALA H H 9.37 . 1 632 . 60 ALA CA C 49.84 . 1 633 . 60 ALA HA H 5.68 . 1 634 . 60 ALA CB C 23.50 . 1 635 . 60 ALA HB H 1.07 . 1 636 . 60 ALA C C 174.47 . 1 637 . 61 GLY N N 102.55 . 1 638 . 61 GLY H H 8.09 . 1 639 . 61 GLY CA C 44.34 . 1 640 . 61 GLY HA2 H 2.55 . 1 641 . 61 GLY HA3 H 3.94 . 1 642 . 61 GLY C C 171.77 . 1 643 . 62 HIS N N 117.60 . 1 644 . 62 HIS H H 9.09 . 1 645 . 62 HIS CA C 56.66 . 1 646 . 62 HIS HA H 4.47 . 1 647 . 62 HIS CB C 31.97 . 1 648 . 62 HIS HB2 H 2.67 . 1 649 . 62 HIS HB3 H 2.47 . 1 650 . 62 HIS CD2 C 122.23 . 1 651 . 62 HIS HD2 H 7.14 . 1 652 . 62 HIS C C 175.03 . 1 653 . 63 THR N N 111.44 . 1 654 . 63 THR H H 7.84 . 1 655 . 63 THR CA C 59.09 . 1 656 . 63 THR HA H 4.89 . 1 657 . 63 THR CB C 70.66 . 1 658 . 63 THR HB H 3.85 . 1 659 . 63 THR CG2 C 20.72 . 1 660 . 63 THR HG2 H 1.19 . 1 661 . 63 THR C C 172.79 . 1 662 . 64 PHE N N 126.50 . 1 663 . 64 PHE H H 8.66 . 1 664 . 64 PHE CA C 55.61 . 1 665 . 64 PHE HA H 5.11 . 1 666 . 64 PHE CB C 42.85 . 1 667 . 64 PHE HB2 H 2.79 . 1 668 . 64 PHE HB3 H 3.22 . 1 669 . 64 PHE CD1 C 131.33 . 1 670 . 64 PHE HD1 H 7.16 . 1 671 . 64 PHE CD2 C 131.33 . 1 672 . 64 PHE HD2 H 7.16 . 1 673 . 64 PHE CE1 C 132.40 . 1 674 . 64 PHE HE1 H 7.06 . 1 675 . 64 PHE CE2 C 132.40 . 1 676 . 64 PHE HE2 H 7.06 . 1 677 . 64 PHE C C 175.96 . 1 678 . 65 ILE N N 122.19 . 1 679 . 65 ILE H H 8.55 . 1 680 . 65 ILE CA C 63.37 . 1 681 . 65 ILE HA H 3.93 . 1 682 . 65 ILE CB C 38.70 . 1 683 . 65 ILE HB H 1.88 . 1 684 . 65 ILE CG1 C 28.07 . 1 685 . 65 ILE HG12 H 1.49 . 1 686 . 65 ILE HG13 H 1.28 . 1 687 . 65 ILE CG2 C 17.59 . 1 688 . 65 ILE HG2 H 0.94 . 1 689 . 65 ILE CD1 C 13.74 . 1 690 . 65 ILE HD1 H 0.89 . 1 691 . 65 ILE C C 176.13 . 1 692 . 66 ASP N N 117.26 . 1 693 . 66 ASP H H 8.29 . 1 694 . 66 ASP CA C 54.15 . 1 695 . 66 ASP HA H 4.59 . 1 696 . 66 ASP CB C 40.54 . 1 697 . 66 ASP HB2 H 2.63 . 2 698 . 66 ASP HB3 H 2.73 . 2 699 . 66 ASP C C 175.73 . 1 700 . 67 ARG N N 119.64 . 1 701 . 67 ARG H H 7.61 . 1 702 . 67 ARG CA C 53.65 . 1 703 . 67 ARG HA H 4.83 . 1 704 . 67 ARG CB C 32.27 . 1 705 . 67 ARG HB2 H 1.68 . 1 706 . 67 ARG HB3 H 1.81 . 1 707 . 67 ARG CG C 25.90 . 2 708 . 67 ARG HG2 H 1.36 . 1 709 . 67 ARG HG3 H 1.47 . 1 710 . 67 ARG CD C 44.06 . 2 711 . 67 ARG HD2 H 2.52 . 1 712 . 67 ARG HD3 H 2.57 . 1 713 . 67 ARG C C 172.71 . 1 714 . 68 PRO CA C 64.57 . 1 715 . 68 PRO HA H 4.31 . 1 716 . 68 PRO CB C 32.49 . 1 717 . 68 PRO HB2 H 1.88 . 1 718 . 68 PRO HB3 H 2.32 . 1 719 . 68 PRO CG C 27.31 . 1 720 . 68 PRO HG2 H 1.99 . 1 721 . 68 PRO HG3 H 1.99 . 1 722 . 68 PRO CD C 50.45 . 1 723 . 68 PRO HD2 H 3.46 . 1 724 . 68 PRO HD3 H 3.67 . 1 725 . 68 PRO C C 176.88 . 1 726 . 69 ASN N N 113.72 . 1 727 . 69 ASN H H 8.39 . 1 728 . 69 ASN CA C 53.23 . 1 729 . 69 ASN HA H 4.86 . 1 730 . 69 ASN CB C 38.81 . 1 731 . 69 ASN HB2 H 2.79 . 1 732 . 69 ASN HB3 H 3.09 . 1 733 . 69 ASN ND2 N 112.66 . 1 734 . 69 ASN HD21 H 6.94 . 2 735 . 69 ASN HD22 H 7.66 . 2 736 . 69 ASN C C 174.51 . 1 737 . 70 TYR N N 121.06 . 1 738 . 70 TYR H H 7.80 . 1 739 . 70 TYR CA C 57.67 . 1 740 . 70 TYR HA H 4.66 . 1 741 . 70 TYR CB C 40.76 . 1 742 . 70 TYR HB2 H 2.95 . 2 743 . 70 TYR HB3 H 3.05 . 2 744 . 70 TYR CD1 C 133.25 . 1 745 . 70 TYR HD1 H 6.98 . 1 746 . 70 TYR CD2 C 133.25 . 1 747 . 70 TYR HD2 H 6.98 . 1 748 . 70 TYR CE1 C 118.72 . 1 749 . 70 TYR HE1 H 6.67 . 1 750 . 70 TYR CE2 C 118.72 . 1 751 . 70 TYR HE2 H 6.67 . 1 752 . 70 TYR C C 175.38 . 1 753 . 71 GLN N N 127.53 . 1 754 . 71 GLN H H 9.20 . 1 755 . 71 GLN CA C 59.26 . 1 756 . 71 GLN HA H 3.00 . 2 757 . 71 GLN CB C 26.68 . 1 758 . 71 GLN HB2 H 1.35 . 1 759 . 71 GLN HB3 H 1.59 . 1 760 . 71 GLN CG C 33.84 . 1 761 . 71 GLN HG2 H 1.18 . 1 762 . 71 GLN HG3 H 1.63 . 1 763 . 71 GLN NE2 N 107.65 . 1 764 . 71 GLN HE21 H 6.71 . 1 765 . 71 GLN HE22 H 7.49 . 1 766 . 71 GLN C C 175.45 . 1 767 . 72 PHE N N 121.09 . 1 768 . 72 PHE H H 8.13 . 1 769 . 72 PHE CA C 52.72 . 2 770 . 72 PHE HA H 5.06 . 1 771 . 72 PHE CB C 38.16 . 1 772 . 72 PHE HB2 H 2.57 . 1 773 . 72 PHE HB3 H 3.51 . 1 774 . 72 PHE CD1 C 128.82 . 1 775 . 72 PHE HD1 H 6.80 . 1 776 . 72 PHE CD2 C 128.82 . 1 777 . 72 PHE HD2 H 6.80 . 1 778 . 72 PHE CE1 C 130.64 . 1 779 . 72 PHE HE1 H 6.92 . 1 780 . 72 PHE CE2 C 130.64 . 1 781 . 72 PHE HE2 H 6.92 . 1 782 . 72 PHE C C 176.55 . 1 783 . 73 THR N N 122.31 . 1 784 . 73 THR H H 8.82 . 1 785 . 73 THR CA C 68.02 . 1 786 . 73 THR HA H 4.17 . 1 787 . 73 THR CB C 69.57 . 1 788 . 73 THR HB H 4.18 . 2 789 . 73 THR CG2 C 22.81 . 1 790 . 73 THR HG2 H 1.40 . 1 791 . 73 THR C C 175.71 . 1 792 . 74 ASN N N 117.22 . 1 793 . 74 ASN H H 9.70 . 1 794 . 74 ASN CA C 52.72 . 1 795 . 74 ASN HA H 5.03 . 1 796 . 74 ASN CB C 39.68 . 1 797 . 74 ASN HB2 H 2.73 . 1 798 . 74 ASN HB3 H 2.92 . 1 799 . 74 ASN ND2 N 112.04 . 1 800 . 74 ASN HD21 H 6.89 . 2 801 . 74 ASN HD22 H 7.40 . 2 802 . 74 ASN C C 176.69 . 1 803 . 75 LEU N N 122.31 . 1 804 . 75 LEU H H 7.51 . 1 805 . 75 LEU CA C 57.58 . 1 806 . 75 LEU HA H 3.44 . 1 807 . 75 LEU CB C 40.97 . 1 808 . 75 LEU HB2 H 0.61 . 1 809 . 75 LEU HB3 H 0.87 . 1 810 . 75 LEU CG C 25.84 . 1 811 . 75 LEU HG H 0.00 . 1 812 . 75 LEU CD1 C 23.74 . 1 813 . 75 LEU HD1 H -0.17 . 2 814 . 75 LEU CD2 C 25.52 . 1 815 . 75 LEU HD2 H -0.50 . 2 816 . 75 LEU C C 176.09 . 1 817 . 76 LYS N N 112.62 . 1 818 . 76 LYS H H 7.43 . 1 819 . 76 LYS CA C 57.77 . 1 820 . 76 LYS HA H 4.25 . 1 821 . 76 LYS CB C 31.55 . 1 822 . 76 LYS HB2 H 1.90 . 1 823 . 76 LYS HB3 H 2.04 . 1 824 . 76 LYS CG C 23.60 . 1 825 . 76 LYS HG2 H 1.34 . 1 826 . 76 LYS HG3 H 1.51 . 1 827 . 76 LYS CD C 29.76 . 1 828 . 76 LYS HD2 H 1.75 . 1 829 . 76 LYS HD3 H 1.75 . 1 830 . 76 LYS CE C 42.45 . 1 831 . 76 LYS HE2 H 3.06 . 1 832 . 76 LYS HE3 H 2.99 . 1 833 . 76 LYS C C 175.78 . 2 834 . 77 ALA N N 123.66 . 1 835 . 77 ALA H H 7.79 . 1 836 . 77 ALA CA C 53.23 . 1 837 . 77 ALA HA H 4.21 . 1 838 . 77 ALA CB C 19.37 . 1 839 . 77 ALA HB H 1.43 . 1 840 . 77 ALA C C 178.48 . 1 841 . 78 ALA N N 120.57 . 1 842 . 78 ALA H H 7.99 . 1 843 . 78 ALA CA C 52.05 . 1 844 . 78 ALA HA H 4.07 . 1 845 . 78 ALA CB C 19.12 . 1 846 . 78 ALA HB H 1.24 . 1 847 . 78 ALA C C 174.78 . 1 848 . 79 LYS N N 118.11 . 1 849 . 79 LYS H H 8.30 . 1 850 . 79 LYS CA C 54.31 . 1 851 . 79 LYS HA H 4.55 . 1 852 . 79 LYS CB C 35.55 . 1 853 . 79 LYS HB2 H 1.88 . 1 854 . 79 LYS HB3 H 1.92 . 1 855 . 79 LYS CG C 24.08 . 1 856 . 79 LYS HG2 H 1.35 . 1 857 . 79 LYS HG3 H 1.35 . 1 858 . 79 LYS CD C 29.41 . 1 859 . 79 LYS HD2 H 1.66 . 2 860 . 79 LYS CE C 41.91 . 1 861 . 79 LYS HE2 H 3.00 . 1 862 . 79 LYS C C 176.56 . 1 863 . 80 LYS N N 120.90 . 1 864 . 80 LYS H H 8.46 . 1 865 . 80 LYS CA C 59.70 . 1 866 . 80 LYS HA H 3.60 . 1 867 . 80 LYS CB C 31.52 . 1 868 . 80 LYS HB2 H 1.70 . 1 869 . 80 LYS HB3 H 1.70 . 1 870 . 80 LYS CG C 25.69 . 1 871 . 80 LYS HG2 H 1.21 . 1 872 . 80 LYS HG3 H 1.44 . 1 873 . 80 LYS CD C 29.76 . 1 874 . 80 LYS HD2 H 1.72 . 1 875 . 80 LYS HD3 H 1.72 . 1 876 . 80 LYS CE C 42.05 . 1 877 . 80 LYS HE2 H 3.04 . 1 878 . 80 LYS HE3 H 3.04 . 1 879 . 80 LYS C C 177.71 . 1 880 . 81 GLY N N 115.07 . 1 881 . 81 GLY H H 9.15 . 1 882 . 81 GLY CA C 45.27 . 1 883 . 81 GLY HA2 H 3.42 . 1 884 . 81 GLY HA3 H 4.54 . 1 885 . 81 GLY C C 174.53 . 1 886 . 82 SER N N 119.06 . 1 887 . 82 SER H H 8.52 . 1 888 . 82 SER CA C 62.02 . 1 889 . 82 SER HA H 4.26 . 1 890 . 82 SER CB C 63.70 . 1 891 . 82 SER HB2 H 3.87 . 1 892 . 82 SER HB3 H 4.04 . 1 893 . 82 SER C C 173.99 . 1 894 . 83 MET N N 122.12 . 1 895 . 83 MET H H 8.41 . 1 896 . 83 MET CA C 54.15 . 1 897 . 83 MET HA H 5.08 . 1 898 . 83 MET CB C 32.27 . 1 899 . 83 MET HB2 H 1.97 . 1 900 . 83 MET HB3 H 1.61 . 1 901 . 83 MET CG C 32.30 . 1 902 . 83 MET HG2 H 2.59 . 1 903 . 83 MET HG3 H 2.75 . 1 904 . 83 MET CE C 15.64 . 1 905 . 83 MET HE H 1.87 . 1 906 . 83 MET C C 176.20 . 1 907 . 84 VAL N N 121.38 . 1 908 . 84 VAL H H 8.74 . 1 909 . 84 VAL CA C 60.85 . 1 910 . 84 VAL HA H 4.41 . 1 911 . 84 VAL CB C 35.21 . 1 912 . 84 VAL HB H 1.69 . 1 913 . 84 VAL CG1 C 20.78 . 1 914 . 84 VAL HG1 H 0.64 . 1 915 . 84 VAL CG2 C 21.91 . 1 916 . 84 VAL HG2 H 0.64 . 1 917 . 84 VAL C C 173.73 . 1 918 . 85 TYR N N 123.83 . 1 919 . 85 TYR H H 9.20 . 1 920 . 85 TYR CA C 56.16 . 1 921 . 85 TYR HA H 5.61 . 1 922 . 85 TYR CB C 40.74 . 1 923 . 85 TYR HB2 H 3.01 . 1 924 . 85 TYR HB3 H 2.87 . 1 925 . 85 TYR CD1 C 133.21 . 1 926 . 85 TYR HD1 H 6.98 . 1 927 . 85 TYR CD2 C 133.21 . 1 928 . 85 TYR HD2 H 6.98 . 1 929 . 85 TYR CE1 C 117.37 . 1 930 . 85 TYR HE1 H 6.66 . 1 931 . 85 TYR CE2 C 117.37 . 1 932 . 85 TYR HE2 H 6.66 . 1 933 . 85 TYR C C 174.79 . 1 934 . 86 PHE N N 125.62 . 1 935 . 86 PHE H H 9.60 . 1 936 . 86 PHE CA C 53.98 . 1 937 . 86 PHE HA H 5.96 . 1 938 . 86 PHE CB C 43.00 . 1 939 . 86 PHE HB2 H 2.89 . 1 940 . 86 PHE HB3 H 3.50 . 1 941 . 86 PHE CD1 C 131.46 . 1 942 . 86 PHE HD1 H 7.16 . 1 943 . 86 PHE CD2 C 131.46 . 1 944 . 86 PHE HD2 H 7.16 . 1 945 . 86 PHE CE1 C 131.46 . 1 946 . 86 PHE HE1 H 6.96 . 1 947 . 86 PHE CE2 C 131.46 . 1 948 . 86 PHE HE2 H 6.96 . 1 949 . 86 PHE C C 173.53 . 1 950 . 87 LYS N N 130.34 . 1 951 . 87 LYS H H 9.37 . 1 952 . 87 LYS CA C 55.49 . 1 953 . 87 LYS HA H 5.15 . 1 954 . 87 LYS CB C 34.37 . 1 955 . 87 LYS HB2 H 1.89 . 1 956 . 87 LYS HB3 H 1.68 . 1 957 . 87 LYS CG C 25.13 . 2 958 . 87 LYS HG2 H 1.31 . 2 959 . 87 LYS HG3 H 1.42 . 2 960 . 87 LYS CD C 29.97 . 2 961 . 87 LYS HD2 H 1.72 . 2 962 . 87 LYS CE C 42.52 . 1 963 . 87 LYS HE2 H 2.95 . 2 964 . 87 LYS HE3 H 3.03 . 2 965 . 87 LYS C C 175.04 . 1 966 . 88 VAL N N 121.81 . 1 967 . 88 VAL H H 8.05 . 1 968 . 88 VAL CA C 59.85 . 1 969 . 88 VAL HA H 4.34 . 1 970 . 88 VAL CB C 33.87 . 1 971 . 88 VAL HB H 1.63 . 1 972 . 88 VAL CG1 C 19.60 . 1 973 . 88 VAL HG1 H 0.56 . 2 974 . 88 VAL CG2 C 21.37 . 1 975 . 88 VAL HG2 H 0.50 . 2 976 . 88 VAL C C 175.77 . 1 977 . 89 GLY N N 116.08 . 1 978 . 89 GLY H H 8.99 . 1 979 . 89 GLY CA C 47.28 . 1 980 . 89 GLY HA2 H 3.69 . 1 981 . 89 GLY HA3 H 3.87 . 1 982 . 89 GLY C C 175.14 . 1 983 . 90 ASN N N 124.89 . 1 984 . 90 ASN H H 8.90 . 1 985 . 90 ASN CA C 53.56 . 1 986 . 90 ASN HA H 4.79 . 1 987 . 90 ASN CB C 38.73 . 1 988 . 90 ASN HB2 H 2.79 . 1 989 . 90 ASN HB3 H 2.93 . 1 990 . 90 ASN ND2 N 112.56 . 1 991 . 90 ASN HD21 H 6.84 . 2 992 . 90 ASN HD22 H 7.50 . 2 993 . 90 ASN C C 174.96 . 1 994 . 91 GLU N N 121.44 . 1 995 . 91 GLU H H 8.38 . 1 996 . 91 GLU CA C 55.99 . 1 997 . 91 GLU HA H 4.60 . 1 998 . 91 GLU CB C 32.44 . 1 999 . 91 GLU HB2 H 2.10 . 2 1000 . 91 GLU CG C 36.56 . 1 1001 . 91 GLU HG2 H 2.27 . 2 1002 . 91 GLU HG3 H 2.21 . 2 1003 . 91 GLU C C 175.74 . 1 1004 . 92 THR N N 120.57 . 1 1005 . 92 THR H H 8.64 . 1 1006 . 92 THR CA C 62.86 . 1 1007 . 92 THR HA H 4.66 . 1 1008 . 92 THR CB C 69.90 . 1 1009 . 92 THR HB H 4.00 . 1 1010 . 92 THR CG2 C 22.10 . 1 1011 . 92 THR HG2 H 1.14 . 1 1012 . 92 THR C C 174.15 . 1 1013 . 93 ARG N N 129.18 . 1 1014 . 93 ARG H H 9.33 . 1 1015 . 93 ARG CA C 56.33 . 1 1016 . 93 ARG HA H 4.53 . 1 1017 . 93 ARG CB C 32.61 . 1 1018 . 93 ARG HB2 H 2.29 . 1 1019 . 93 ARG HB3 H 1.94 . 1 1020 . 93 ARG CG C 28.01 . 1 1021 . 93 ARG HG2 H 1.72 . 1 1022 . 93 ARG HG3 H 1.72 . 1 1023 . 93 ARG CD C 44.55 . 1 1024 . 93 ARG HD2 H 3.14 . 2 1025 . 93 ARG HD3 H 3.36 . 2 1026 . 93 ARG C C 174.53 . 1 1027 . 94 LYS N N 122.34 . 1 1028 . 94 LYS H H 8.35 . 1 1029 . 94 LYS CA C 55.66 . 1 1030 . 94 LYS HA H 5.11 . 1 1031 . 94 LYS CB C 35.46 . 1 1032 . 94 LYS HB2 H 1.71 . 1 1033 . 94 LYS HB3 H 1.51 . 1 1034 . 94 LYS CG C 25.20 . 1 1035 . 94 LYS HG2 H 1.31 . 2 1036 . 94 LYS HG3 H 1.41 . 2 1037 . 94 LYS CD C 29.90 . 1 1038 . 94 LYS CE C 42.80 . 1 1039 . 94 LYS HE2 H 2.93 . 1 1040 . 94 LYS HE3 H 2.93 . 1 1041 . 94 LYS C C 174.68 . 1 1042 . 95 TYR N N 119.80 . 1 1043 . 95 TYR H H 8.99 . 1 1044 . 95 TYR CA C 55.34 . 1 1045 . 95 TYR HA H 5.07 . 1 1046 . 95 TYR CB C 43.59 . 1 1047 . 95 TYR HB2 H 2.25 . 1 1048 . 95 TYR HB3 H 2.40 . 1 1049 . 95 TYR CD1 C 133.52 . 1 1050 . 95 TYR HD1 H 6.77 . 1 1051 . 95 TYR CD2 C 133.52 . 1 1052 . 95 TYR HD2 H 6.77 . 1 1053 . 95 TYR CE1 C 117.68 . 1 1054 . 95 TYR HE1 H 6.50 . 1 1055 . 95 TYR CE2 C 117.68 . 1 1056 . 95 TYR HE2 H 6.50 . 1 1057 . 95 TYR C C 173.34 . 1 1058 . 96 LYS N N 120.01 . 1 1059 . 96 LYS H H 9.01 . 1 1060 . 96 LYS CA C 54.73 . 1 1061 . 96 LYS HA H 5.11 . 1 1062 . 96 LYS CB C 36.48 . 1 1063 . 96 LYS HB2 H 1.66 . 1 1064 . 96 LYS HB3 H 1.47 . 1 1065 . 96 LYS CG C 24.85 . 1 1066 . 96 LYS HG2 H 1.30 . 1 1067 . 96 LYS HG3 H 1.36 . 1 1068 . 96 LYS CD C 29.97 . 1 1069 . 96 LYS CE C 42.31 . 1 1070 . 96 LYS HE2 H 2.99 . 1 1071 . 96 LYS C C 176.80 . 1 1072 . 97 MET N N 125.78 . 1 1073 . 97 MET H H 9.19 . 1 1074 . 97 MET CA C 57.33 . 1 1075 . 97 MET HA H 4.51 . 1 1076 . 97 MET CB C 32.11 . 1 1077 . 97 MET HB2 H 2.17 . 1 1078 . 97 MET HB3 H 2.33 . 1 1079 . 97 MET CG C 32.90 . 2 1080 . 97 MET HG2 H 2.51 . 2 1081 . 97 MET CE C 17.07 . 1 1082 . 97 MET HE H 1.61 . 1 1083 . 97 MET C C 176.09 . 2 1084 . 98 THR N N 112.65 . 1 1085 . 98 THR H H 7.41 . 1 1086 . 98 THR CA C 62.92 . 2 1087 . 98 THR HA H 5.58 . 2 1088 . 98 THR CB C 71.00 . 1 1089 . 98 THR CG2 C 22.54 . 1 1090 . 98 THR HG2 H 1.34 . 1 1091 . 98 THR C C 173.85 . 1 1092 . 99 SER N N 112.65 . 1 1093 . 99 SER H H 7.41 . 1 1094 . 99 SER CA C 57.84 . 2 1095 . 99 SER HA H 5.58 . 2 1096 . 99 SER CB C 68.22 . 1 1097 . 99 SER HB2 H 3.16 . 1 1098 . 99 SER HB3 H 3.62 . 1 1099 . 100 ILE H H 7.04 . 1 1100 . 100 ILE CA C 60.96 . 1 1101 . 100 ILE CB C 34.65 . 1 1102 . 100 ILE HB H 1.42 . 2 1103 . 100 ILE CG1 C 27.26 . 1 1104 . 100 ILE HG12 H 0.90 . 2 1105 . 100 ILE HG13 H 1.28 . 2 1106 . 100 ILE CG2 C 17.08 . 1 1107 . 100 ILE HG2 H 0.13 . 1 1108 . 100 ILE CD1 C 14.17 . 1 1109 . 100 ILE HD1 H 0.73 . 1 1110 . 100 ILE C C 175.82 . 1 1111 . 101 ARG N N 126.02 . 1 1112 . 101 ARG H H 9.10 . 1 1113 . 101 ARG CA C 54.90 . 1 1114 . 101 ARG HA H 4.57 . 2 1115 . 101 ARG CB C 32.61 . 1 1116 . 101 ARG HB2 H 1.70 . 1 1117 . 101 ARG HB3 H 1.94 . 1 1118 . 101 ARG C C 173.57 . 1 1119 . 102 ASP N N 123.90 . 2 1120 . 102 ASP H H 7.90 . 2 1121 . 102 ASP CA C 55.35 . 2 1122 . 102 ASP HA H 4.43 . 1 1123 . 102 ASP CB C 42.02 . 2 1124 . 102 ASP HB2 H 1.74 . 1 1125 . 102 ASP HB3 H 2.14 . 1 1126 . 102 ASP C C 175.91 . 1 1127 . 103 VAL N N 114.93 . 2 1128 . 103 VAL H H 7.78 . 2 1129 . 103 VAL CA C 60.18 . 2 1130 . 103 VAL HA H 4.47 . 2 1131 . 103 VAL CB C 34.62 . 2 1132 . 105 PRO CA C 63.68 . 1 1133 . 105 PRO HA H 4.39 . 2 1134 . 105 PRO CB C 32.28 . 1 1135 . 105 PRO HB2 H 2.15 . 1 1136 . 105 PRO HB3 H 1.75 . 1 1137 . 105 PRO CG C 27.59 . 1 1138 . 105 PRO HG2 H 1.95 . 1 1139 . 105 PRO HG3 H 1.95 . 1 1140 . 105 PRO CD C 51.68 . 1 1141 . 105 PRO HD2 H 3.59 . 1 1142 . 105 PRO HD3 H 4.15 . 1 1143 . 106 THR N N 120.05 . 2 1144 . 106 THR H H 7.95 . 2 1145 . 106 THR CA C 61.24 . 1 1146 . 106 THR HA H 4.20 . 2 1147 . 106 THR CB C 69.24 . 1 1148 . 106 THR HB H 4.50 . 2 1149 . 106 THR CG2 C 22.14 . 1 1150 . 106 THR HG2 H 1.20 . 1 1151 . 106 THR C C 175.04 . 1 1152 . 107 ASP N N 123.13 . 1 1153 . 107 ASP H H 7.58 . 1 1154 . 107 ASP CA C 55.24 . 1 1155 . 107 ASP HA H 4.69 . 1 1156 . 107 ASP CB C 40.99 . 1 1157 . 107 ASP HB2 H 2.66 . 1 1158 . 107 ASP HB3 H 2.74 . 1 1159 . 107 ASP C C 176.66 . 1 1160 . 108 VAL N N 119.13 . 1 1161 . 108 VAL H H 8.16 . 1 1162 . 108 VAL CA C 62.01 . 1 1163 . 108 VAL HA H 4.31 . 1 1164 . 108 VAL CB C 32.56 . 1 1165 . 108 VAL HB H 2.27 . 1 1166 . 108 VAL CG1 C 19.43 . 1 1167 . 108 VAL HG1 H 0.91 . 2 1168 . 108 VAL CG2 C 21.55 . 1 1169 . 108 VAL HG2 H 0.95 . 2 1170 . 108 VAL C C 177.49 . 1 1171 . 109 GLY N N 111.60 . 1 1172 . 109 GLY H H 8.65 . 1 1173 . 109 GLY CA C 46.29 . 1 1174 . 109 GLY HA2 H 4.07 . 1 1175 . 109 GLY HA3 H 3.92 . 1 1176 . 109 GLY C C 176.14 . 1 1177 . 110 VAL N N 116.81 . 1 1178 . 110 VAL H H 7.27 . 1 1179 . 110 VAL CA C 64.81 . 1 1180 . 110 VAL HA H 3.77 . 1 1181 . 110 VAL CB C 31.86 . 1 1182 . 110 VAL HB H 2.07 . 1 1183 . 110 VAL CG1 C 20.56 . 1 1184 . 110 VAL HG1 H 0.83 . 2 1185 . 110 VAL CG2 C 21.80 . 1 1186 . 110 VAL HG2 H 0.88 . 2 1187 . 110 VAL C C 176.87 . 1 1188 . 111 LEU N N 116.51 . 1 1189 . 111 LEU H H 7.86 . 1 1190 . 111 LEU CA C 54.39 . 1 1191 . 111 LEU HA H 4.27 . 1 1192 . 111 LEU CB C 41.14 . 1 1193 . 111 LEU HB2 H 1.59 . 1 1194 . 111 LEU HB3 H 1.70 . 1 1195 . 111 LEU CG C 27.24 . 1 1196 . 111 LEU HG H 1.56 . 1 1197 . 111 LEU CD1 C 25.44 . 1 1198 . 111 LEU HD1 H 0.85 . 2 1199 . 111 LEU CD2 C 22.82 . 1 1200 . 111 LEU HD2 H 0.74 . 1 1201 . 111 LEU C C 178.11 . 1 1202 . 112 ASP N N 120.79 . 1 1203 . 112 ASP H H 7.51 . 1 1204 . 112 ASP CA C 54.90 . 1 1205 . 112 ASP HA H 4.52 . 1 1206 . 112 ASP CB C 41.33 . 1 1207 . 112 ASP HB2 H 2.58 . 1 1208 . 112 ASP HB3 H 2.74 . 1 1209 . 112 ASP C C 177.04 . 1 1210 . 113 GLU N N 120.91 . 1 1211 . 113 GLU H H 8.65 . 1 1212 . 113 GLU CA C 56.33 . 1 1213 . 113 GLU HA H 4.62 . 1 1214 . 113 GLU CB C 31.44 . 1 1215 . 113 GLU HB2 H 2.02 . 1 1216 . 113 GLU HB3 H 1.86 . 1 1217 . 113 GLU CG C 36.56 . 1 1218 . 113 GLU HG2 H 2.23 . 2 1219 . 113 GLU HG3 H 2.27 . 2 1220 . 113 GLU C C 177.25 . 1 1221 . 114 GLN N N 124.28 . 1 1222 . 114 GLN H H 8.47 . 1 1223 . 114 GLN CA C 54.06 . 1 1224 . 114 GLN HA H 4.36 . 1 1225 . 114 GLN CB C 28.34 . 1 1226 . 114 GLN HB2 H 1.75 . 1 1227 . 114 GLN HB3 H 1.86 . 1 1228 . 114 GLN CG C 33.41 . 1 1229 . 114 GLN HG2 H 2.26 . 2 1230 . 114 GLN NE2 N 113.31 . 1 1231 . 114 GLN HE21 H 6.68 . 1 1232 . 114 GLN HE22 H 7.26 . 1 1233 . 114 GLN C C 175.22 . 1 1234 . 115 LYS N N 122.36 . 1 1235 . 115 LYS H H 8.15 . 1 1236 . 115 LYS CA C 57.92 . 1 1237 . 115 LYS HA H 4.01 . 1 1238 . 115 LYS CB C 32.05 . 1 1239 . 115 LYS HB2 H 1.74 . 2 1240 . 115 LYS HB3 H 1.85 . 2 1241 . 115 LYS CG C 24.99 . 1 1242 . 115 LYS HG2 H 1.45 . 2 1243 . 115 LYS CD C 29.27 . 1 1244 . 115 LYS CE C 42.45 . 1 1245 . 115 LYS HE2 H 2.99 . 1 1246 . 115 LYS HE3 H 2.99 . 1 1247 . 116 GLY CA C 45.52 . 1 1248 . 116 GLY HA2 H 4.09 . 1 1249 . 116 GLY HA3 H 3.78 . 1 1250 . 116 GLY C C 174.22 . 1 1251 . 117 LYS N N 119.36 . 1 1252 . 117 LYS H H 7.48 . 1 1253 . 117 LYS CA C 55.24 . 1 1254 . 117 LYS HA H 4.47 . 1 1255 . 117 LYS CB C 33.87 . 1 1256 . 117 LYS HB2 H 1.93 . 1 1257 . 117 LYS HB3 H 1.80 . 1 1258 . 117 LYS CG C 24.82 . 1 1259 . 117 LYS HG2 H 1.30 . 2 1260 . 117 LYS HG3 H 1.56 . 2 1261 . 117 LYS CD C 28.67 . 1 1262 . 117 LYS CE C 42.42 . 1 1263 . 117 LYS C C 176.28 . 1 1264 . 118 ASP N N 119.75 . 1 1265 . 118 ASP H H 8.09 . 1 1266 . 118 ASP CA C 55.07 . 1 1267 . 118 ASP HA H 4.54 . 1 1268 . 118 ASP CB C 41.66 . 1 1269 . 118 ASP HB2 H 2.47 . 1 1270 . 118 ASP HB3 H 2.92 . 1 1271 . 118 ASP C C 176.57 . 1 1272 . 119 LYS N N 122.11 . 1 1273 . 119 LYS H H 8.84 . 1 1274 . 119 LYS CA C 58.42 . 1 1275 . 119 LYS HA H 4.60 . 1 1276 . 119 LYS CB C 32.78 . 1 1277 . 119 LYS HB2 H 1.88 . 1 1278 . 119 LYS HB3 H 2.39 . 1 1279 . 119 LYS CG C 26.82 . 1 1280 . 119 LYS HG2 H 1.54 . 1 1281 . 119 LYS HG3 H 1.80 . 1 1282 . 119 LYS CD C 29.69 . 1 1283 . 119 LYS CE C 42.80 . 1 1284 . 119 LYS C C 175.84 . 1 1285 . 120 GLN N N 116.62 . 1 1286 . 120 GLN H H 9.50 . 1 1287 . 120 GLN CA C 53.92 . 1 1288 . 120 GLN HA H 5.65 . 1 1289 . 120 GLN CB C 34.04 . 1 1290 . 120 GLN HB2 H 1.94 . 1 1291 . 120 GLN HB3 H 1.94 . 1 1292 . 120 GLN CG C 33.34 . 1 1293 . 120 GLN HG2 H 2.05 . 1 1294 . 120 GLN HG3 H 2.42 . 1 1295 . 120 GLN NE2 N 110.29 . 1 1296 . 120 GLN HE21 H 7.38 . 1 1297 . 120 GLN HE22 H 6.11 . 1 1298 . 120 GLN C C 174.44 . 1 1299 . 121 LEU N N 122.11 . 1 1300 . 121 LEU H H 8.91 . 1 1301 . 121 LEU CA C 53.06 . 1 1302 . 121 LEU HA H 5.21 . 1 1303 . 121 LEU CB C 45.12 . 1 1304 . 121 LEU HB2 H 0.82 . 1 1305 . 121 LEU HB3 H 0.68 . 1 1306 . 121 LEU CG C 25.85 . 2 1307 . 121 LEU HG H 0.17 . 2 1308 . 121 LEU CD1 C 24.36 . 1 1309 . 121 LEU HD1 H 0.24 . 2 1310 . 121 LEU CD2 C 26.36 . 1 1311 . 121 LEU HD2 H 0.04 . 2 1312 . 121 LEU C C 176.49 . 1 1313 . 122 THR N N 120.80 . 1 1314 . 122 THR H H 8.95 . 1 1315 . 122 THR CA C 62.61 . 1 1316 . 122 THR HA H 4.50 . 1 1317 . 122 THR CB C 69.40 . 1 1318 . 122 THR HB H 4.13 . 1 1319 . 122 THR CG2 C 22.33 . 1 1320 . 122 THR HG2 H 0.97 . 1 1321 . 122 THR C C 173.35 . 1 1322 . 123 LEU N N 128.03 . 1 1323 . 123 LEU H H 9.28 . 1 1324 . 123 LEU CA C 53.14 . 1 1325 . 123 LEU HA H 5.20 . 1 1326 . 123 LEU CB C 41.47 . 1 1327 . 123 LEU HB2 H 1.82 . 1 1328 . 123 LEU HB3 H 0.68 . 1 1329 . 123 LEU CG C 27.26 . 1 1330 . 123 LEU HG H 1.43 . 1 1331 . 123 LEU CD1 C 24.90 . 1 1332 . 123 LEU HD1 H 0.45 . 2 1333 . 123 LEU CD2 C 26.03 . 1 1334 . 123 LEU HD2 H 0.36 . 2 1335 . 123 LEU C C 175.88 . 1 1336 . 124 ILE N N 123.49 . 1 1337 . 124 ILE H H 9.31 . 1 1338 . 124 ILE CA C 59.95 . 1 1339 . 124 ILE HA H 5.12 . 1 1340 . 124 ILE CB C 41.66 . 1 1341 . 124 ILE HB H 1.54 . 1 1342 . 124 ILE CG1 C 27.73 . 1 1343 . 124 ILE HG12 H 0.70 . 1 1344 . 124 ILE HG13 H 0.70 . 1 1345 . 124 ILE CG2 C 18.16 . 1 1346 . 124 ILE HG2 H 0.75 . 1 1347 . 124 ILE CD1 C 15.24 . 1 1348 . 124 ILE HD1 H 0.71 . 1 1349 . 124 ILE C C 177.14 . 1 1350 . 125 THR N N 118.76 . 1 1351 . 125 THR H H 9.32 . 1 1352 . 125 THR CA C 60.29 . 1 1353 . 125 THR HA H 5.11 . 1 1354 . 125 THR CB C 69.06 . 1 1355 . 125 THR HB H 4.17 . 1 1356 . 125 THR CG2 C 23.05 . 1 1357 . 125 THR HG2 H 1.22 . 1 1358 . 125 THR C C 174.55 . 1 1359 . 126 CYS N N 120.13 . 1 1360 . 126 CYS H H 7.96 . 1 1361 . 126 CYS CA C 58.25 . 1 1362 . 126 CYS HA H 4.87 . 1 1363 . 126 CYS CB C 29.76 . 1 1364 . 126 CYS HB2 H 1.42 . 1 1365 . 126 CYS HB3 H 1.09 . 1 1366 . 126 CYS C C 172.56 . 1 1367 . 127 ASP N N 121.72 . 1 1368 . 127 ASP H H 8.69 . 1 1369 . 127 ASP CA C 53.31 . 1 1370 . 127 ASP HA H 5.10 . 1 1371 . 127 ASP CB C 44.76 . 1 1372 . 127 ASP HB2 H 2.74 . 1 1373 . 127 ASP HB3 H 2.65 . 1 1374 . 127 ASP C C 174.53 . 1 1375 . 128 ASP N N 121.29 . 1 1376 . 128 ASP H H 9.27 . 1 1377 . 128 ASP CA C 55.57 . 1 1378 . 128 ASP HA H 4.42 . 1 1379 . 128 ASP CB C 39.15 . 1 1380 . 128 ASP HB2 H 3.10 . 1 1381 . 128 ASP HB3 H 2.68 . 1 1382 . 128 ASP C C 174.82 . 1 1383 . 129 TYR N N 124.52 . 1 1384 . 129 TYR H H 8.70 . 1 1385 . 129 TYR CA C 60.01 . 1 1386 . 129 TYR HA H 3.88 . 1 1387 . 129 TYR CB C 37.74 . 1 1388 . 129 TYR HB2 H 2.22 . 1 1389 . 129 TYR HB3 H 1.70 . 1 1390 . 129 TYR CD1 C 132.68 . 1 1391 . 129 TYR HD1 H 5.52 . 1 1392 . 129 TYR CD2 C 132.68 . 1 1393 . 129 TYR HD2 H 5.52 . 1 1394 . 129 TYR CE1 C 116.91 . 1 1395 . 129 TYR HE1 H 6.20 . 1 1396 . 129 TYR CE2 C 116.91 . 1 1397 . 129 TYR HE2 H 6.20 . 1 1398 . 129 TYR C C 175.32 . 1 1399 . 130 ASN N N 128.62 . 1 1400 . 130 ASN H H 8.03 . 1 1401 . 130 ASN CA C 51.72 . 1 1402 . 130 ASN HA H 4.58 . 1 1403 . 130 ASN CB C 39.00 . 1 1404 . 130 ASN HB2 H 2.43 . 1 1405 . 130 ASN HB3 H 3.10 . 1 1406 . 130 ASN ND2 N 113.34 . 1 1407 . 130 ASN HD21 H 6.78 . 1 1408 . 130 ASN HD22 H 7.73 . 1 1409 . 130 ASN C C 174.82 . 1 1410 . 131 GLU N N 123.78 . 1 1411 . 131 GLU H H 8.76 . 1 1412 . 131 GLU CA C 58.42 . 1 1413 . 131 GLU HA H 3.78 . 1 1414 . 131 GLU CB C 29.34 . 1 1415 . 131 GLU HB2 H 2.05 . 1 1416 . 131 GLU HB3 H 2.05 . 1 1417 . 131 GLU CG C 36.21 . 1 1418 . 131 GLU HG2 H 2.35 . 1 1419 . 131 GLU HG3 H 2.35 . 1 1420 . 131 GLU C C 177.71 . 1 1421 . 132 LYS N N 118.38 . 1 1422 . 132 LYS H H 8.12 . 1 1423 . 132 LYS CA C 58.51 . 1 1424 . 132 LYS HA H 4.12 . 1 1425 . 132 LYS CB C 32.19 . 1 1426 . 132 LYS HB2 H 1.83 . 2 1427 . 132 LYS HB3 H 1.96 . 2 1428 . 132 LYS CG C 24.99 . 1 1429 . 132 LYS CD C 28.84 . 1 1430 . 132 LYS CE C 42.45 . 1 1431 . 132 LYS C C 178.44 . 1 1432 . 133 THR N N 106.52 . 1 1433 . 133 THR H H 7.07 . 1 1434 . 133 THR CA C 61.44 . 1 1435 . 133 THR HA H 4.23 . 1 1436 . 133 THR CB C 69.73 . 1 1437 . 133 THR HB H 4.17 . 1 1438 . 133 THR CG2 C 22.05 . 1 1439 . 133 THR HG2 H 1.02 . 1 1440 . 133 THR C C 176.43 . 1 1441 . 134 GLY N N 112.13 . 1 1442 . 134 GLY H H 8.27 . 1 1443 . 134 GLY CA C 46.13 . 1 1444 . 134 GLY HA2 H 3.50 . 1 1445 . 134 GLY HA3 H 3.85 . 1 1446 . 134 GLY C C 173.74 . 1 1447 . 135 VAL N N 115.66 . 1 1448 . 135 VAL H H 6.67 . 1 1449 . 135 VAL CA C 60.10 . 1 1450 . 135 VAL HA H 4.29 . 1 1451 . 135 VAL CB C 35.38 . 1 1452 . 135 VAL HB H 1.92 . 1 1453 . 135 VAL CG1 C 21.15 . 1 1454 . 135 VAL HG1 H 0.78 . 1 1455 . 135 VAL CG2 C 20.22 . 1 1456 . 135 VAL HG2 H 0.70 . 1 1457 . 135 VAL C C 174.85 . 1 1458 . 136 TRP N N 124.97 . 1 1459 . 136 TRP H H 8.32 . 1 1460 . 136 TRP CA C 60.01 . 1 1461 . 136 TRP HA H 4.44 . 1 1462 . 136 TRP CB C 28.45 . 2 1463 . 136 TRP HB2 H 3.16 . 2 1464 . 136 TRP HB3 H 3.05 . 2 1465 . 136 TRP CD1 C 128.53 . 1 1466 . 136 TRP HD1 H 7.46 . 1 1467 . 136 TRP NE1 N 130.05 . 1 1468 . 136 TRP HE1 H 10.22 . 1 1469 . 136 TRP CE3 C 120.42 . 1 1470 . 136 TRP HE3 H 7.32 . 1 1471 . 136 TRP CZ2 C 114.74 . 1 1472 . 136 TRP HZ2 H 6.60 . 1 1473 . 136 TRP CZ3 C 122.35 . 1 1474 . 136 TRP HZ3 H 7.29 . 1 1475 . 136 TRP CH2 C 123.98 . 2 1476 . 136 TRP HH2 H 6.88 . 2 1477 . 136 TRP C C 175.91 . 1 1478 . 137 GLU N N 124.96 . 1 1479 . 137 GLU H H 8.32 . 1 1480 . 137 GLU CA C 57.00 . 1 1481 . 137 GLU HA H 4.43 . 1 1482 . 137 GLU CB C 28.25 . 1 1483 . 137 GLU HB2 H 2.43 . 2 1484 . 137 GLU HB3 H 2.74 . 2 1485 . 137 GLU CG C 40.20 . 1 1486 . 137 GLU C C 175.84 . 1 1487 . 138 LYS N N 123.64 . 1 1488 . 138 LYS H H 8.58 . 1 1489 . 138 LYS CA C 59.76 . 1 1490 . 138 LYS HA H 4.09 . 1 1491 . 138 LYS CB C 29.76 . 1 1492 . 138 LYS HB2 H 2.31 . 1 1493 . 138 LYS HB3 H 2.17 . 1 1494 . 138 LYS HG2 H 2.21 . 2 1495 . 138 LYS C C 177.52 . 1 1496 . 139 ARG N N 119.83 . 1 1497 . 139 ARG H H 8.21 . 1 1498 . 139 ARG CA C 55.66 . 1 1499 . 139 ARG HA H 4.78 . 1 1500 . 139 ARG CB C 33.95 . 1 1501 . 139 ARG HB2 H 1.63 . 1 1502 . 139 ARG HB3 H 1.72 . 1 1503 . 139 ARG C C 175.22 . 1 1504 . 140 LYS N N 124.42 . 1 1505 . 140 LYS H H 8.32 . 1 1506 . 140 LYS CA C 54.82 . 1 1507 . 140 LYS HA H 5.62 . 1 1508 . 140 LYS CB C 36.30 . 1 1509 . 140 LYS HB2 H 1.80 . 1 1510 . 140 LYS HB3 H 1.35 . 1 1511 . 140 LYS CG C 26.68 . 1 1512 . 140 LYS HG2 H 1.78 . 1 1513 . 140 LYS HG3 H 1.81 . 1 1514 . 140 LYS CE C 44.76 . 1 1515 . 140 LYS HE2 H 2.88 . 1 1516 . 140 LYS HE3 H 3.55 . 1 1517 . 140 LYS C C 174.76 . 1 1518 . 141 ILE N N 118.59 . 1 1519 . 141 ILE H H 8.91 . 1 1520 . 141 ILE CA C 59.09 . 1 1521 . 141 ILE HA H 5.40 . 1 1522 . 141 ILE CB C 40.36 . 1 1523 . 141 ILE HB H 1.64 . 1 1524 . 141 ILE CG1 C 26.73 . 1 1525 . 141 ILE HG12 H 1.10 . 1 1526 . 141 ILE HG13 H 1.32 . 1 1527 . 141 ILE CG2 C 18.58 . 1 1528 . 141 ILE HG2 H 0.70 . 1 1529 . 141 ILE CD1 C 13.55 . 1 1530 . 141 ILE HD1 H 0.61 . 1 1531 . 141 ILE C C 173.91 . 1 1532 . 142 PHE N N 125.14 . 1 1533 . 142 PHE H H 9.34 . 1 1534 . 142 PHE CA C 56.14 . 1 1535 . 142 PHE HA H 4.90 . 1 1536 . 142 PHE CB C 39.73 . 1 1537 . 142 PHE HB2 H 2.92 . 1 1538 . 142 PHE HB3 H 3.00 . 1 1539 . 142 PHE CD1 C 130.20 . 1 1540 . 142 PHE HD1 H 6.92 . 1 1541 . 142 PHE CD2 C 130.20 . 1 1542 . 142 PHE HD2 H 6.92 . 1 1543 . 142 PHE CE1 C 130.73 . 1 1544 . 142 PHE HE1 H 7.30 . 1 1545 . 142 PHE CE2 C 130.73 . 1 1546 . 142 PHE HE2 H 7.30 . 1 1547 . 142 PHE C C 174.68 . 1 1548 . 143 VAL N N 123.64 . 1 1549 . 143 VAL H H 9.02 . 1 1550 . 143 VAL CA C 61.71 . 1 1551 . 143 VAL HA H 4.79 . 1 1552 . 143 VAL CB C 33.03 . 1 1553 . 143 VAL HB H 1.91 . 1 1554 . 143 VAL CG1 C 22.08 . 2 1555 . 143 VAL HG1 H 0.84 . 2 1556 . 143 VAL CG2 C 21.53 . 2 1557 . 143 VAL HG2 H 0.72 . 2 1558 . 143 VAL C C 174.78 . 1 1559 . 144 ALA N N 131.79 . 1 1560 . 144 ALA H H 9.15 . 1 1561 . 144 ALA CA C 50.20 . 1 1562 . 144 ALA HA H 5.30 . 1 1563 . 144 ALA CB C 22.30 . 1 1564 . 144 ALA HB H 1.08 . 1 1565 . 144 ALA C C 175.61 . 1 1566 . 145 THR N N 117.93 . 1 1567 . 145 THR H H 8.61 . 1 1568 . 145 THR CA C 62.19 . 1 1569 . 145 THR HA H 5.01 . 1 1570 . 145 THR CB C 70.71 . 1 1571 . 145 THR HB H 4.11 . 1 1572 . 145 THR CG2 C 22.03 . 1 1573 . 145 THR HG2 H 1.36 . 1 1574 . 145 THR C C 174.76 . 1 1575 . 146 GLU N N 127.55 . 1 1576 . 146 GLU H H 9.04 . 1 1577 . 146 GLU CA C 57.83 . 1 1578 . 146 GLU HA H 4.09 . 1 1579 . 146 GLU CB C 30.35 . 1 1580 . 146 GLU HB2 H 1.88 . 1 1581 . 146 GLU HB3 H 1.88 . 1 1582 . 146 GLU C C 175.63 . 1 1583 . 147 VAL N N 124.99 . 1 1584 . 147 VAL H H 8.15 . 1 1585 . 147 VAL CA C 61.52 . 1 1586 . 147 VAL HA H 4.21 . 1 1587 . 147 VAL CB C 33.53 . 1 1588 . 147 VAL HB H 1.84 . 1 1589 . 147 VAL CG1 C 21.41 . 2 1590 . 147 VAL HG1 H 0.91 . 2 1591 . 147 VAL CG2 C 20.93 . 1 1592 . 147 VAL HG2 H 0.75 . 2 1593 . 147 VAL C C 174.65 . 1 1594 . 148 LYS N N 130.48 . 1 1595 . 148 LYS H H 7.97 . 1 1596 . 148 LYS CA C 57.69 . 1 1597 . 148 LYS HA H 4.16 . 1 1598 . 148 LYS CB C 33.95 . 1 1599 . 148 LYS HB2 H 1.67 . 1 1600 . 148 LYS HB3 H 1.80 . 1 1601 . 148 LYS CG C 25.06 . 1 1602 . 148 LYS HG2 H 1.37 . 1 1603 . 148 LYS HG3 H 1.48 . 2 1604 . 148 LYS CD C 29.20 . 1 1605 . 148 LYS CE C 42.52 . 1 1606 . 148 LYS HE2 H 2.97 . 1 1607 . 148 LYS C C 177.18 . 1 stop_ save_