data_25132 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR study of non-structural proteins - 1H, 13C, 15N resonance assigment of macro domain of Venezuelan equine encephalitis virus (VEEV) ; _BMRB_accession_number 25132 _BMRB_flat_file_name bmr25132.str _Entry_type original _Submission_date 2014-08-05 _Accession_date 2014-08-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR structural investigation of macro domains' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Makrynitsa Garyfallia I. . 2 Ntonti Dioni . . 3 Marousis Konstantinos D. . 4 Bentrop Detlef . . 5 Spyroulias Georgios A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 806 "13C chemical shifts" 629 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-27 original BMRB . stop_ _Original_release_date 2014-08-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR study of non-structural proteins Part II: 1H, 13C, 15N backbone & side-chain resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Makrynitsa Garyfallia I. . 2 Ntonti Dioni I. . 3 Marousis Konstantinos D. . 4 Bentrop Detlef . . 5 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _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 'ADP-ribose-binding module' 'NMR spectroscopy' 'Selective aminoacid labeling' VEEV 'Venezuelan equine encephalitis virus' alphavirus 'recombinant protein expression' 'viral macro domains' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VEEV macro domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VEEV macro domain' $VEEV_macro_domain stop_ _System_molecular_weight 17251.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'binding pocket for NAD+ metabolites: ADP-ribose, PAR and negatively' 'viral replication' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VEEV_macro_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VEEV_macro_domain _Molecular_mass 17251.6 _Mol_thiol_state 'all free' loop_ _Biological_function 'binding pocket for NAD+ metabolites: ADP-ribose, PAR and negatively charged molecules such as RNA' 'viral replication' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; APSYHVVRGDIATATEGVII NAANSKGQPGGGVCGALYKK FPESFDLQPIEVGKARLVKG AAKHIIHAVGPNFNKVSEVE GDKQLAEAYESIAKIVNDNN YKSVAIPLLSTGIFSGNKDR LTQSLNHLLTALDTTDADVA IYCRDKKWEMTLKEAVARRE ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 SER 4 TYR 5 HIS 6 VAL 7 VAL 8 ARG 9 GLY 10 ASP 11 ILE 12 ALA 13 THR 14 ALA 15 THR 16 GLU 17 GLY 18 VAL 19 ILE 20 ILE 21 ASN 22 ALA 23 ALA 24 ASN 25 SER 26 LYS 27 GLY 28 GLN 29 PRO 30 GLY 31 GLY 32 GLY 33 VAL 34 CYS 35 GLY 36 ALA 37 LEU 38 TYR 39 LYS 40 LYS 41 PHE 42 PRO 43 GLU 44 SER 45 PHE 46 ASP 47 LEU 48 GLN 49 PRO 50 ILE 51 GLU 52 VAL 53 GLY 54 LYS 55 ALA 56 ARG 57 LEU 58 VAL 59 LYS 60 GLY 61 ALA 62 ALA 63 LYS 64 HIS 65 ILE 66 ILE 67 HIS 68 ALA 69 VAL 70 GLY 71 PRO 72 ASN 73 PHE 74 ASN 75 LYS 76 VAL 77 SER 78 GLU 79 VAL 80 GLU 81 GLY 82 ASP 83 LYS 84 GLN 85 LEU 86 ALA 87 GLU 88 ALA 89 TYR 90 GLU 91 SER 92 ILE 93 ALA 94 LYS 95 ILE 96 VAL 97 ASN 98 ASP 99 ASN 100 ASN 101 TYR 102 LYS 103 SER 104 VAL 105 ALA 106 ILE 107 PRO 108 LEU 109 LEU 110 SER 111 THR 112 GLY 113 ILE 114 PHE 115 SER 116 GLY 117 ASN 118 LYS 119 ASP 120 ARG 121 LEU 122 THR 123 GLN 124 SER 125 LEU 126 ASN 127 HIS 128 LEU 129 LEU 130 THR 131 ALA 132 LEU 133 ASP 134 THR 135 THR 136 ASP 137 ALA 138 ASP 139 VAL 140 ALA 141 ILE 142 TYR 143 CYS 144 ARG 145 ASP 146 LYS 147 LYS 148 TRP 149 GLU 150 MET 151 THR 152 LEU 153 LYS 154 GLU 155 ALA 156 VAL 157 ALA 158 ARG 159 ARG 160 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P36328 'VEEV macro domain' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $VEEV_macro_domain 'Venezuelan equine encephalitis virus' 11036 Viruses . Alphavirus VEEV P676 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 $VEEV_macro_domain 'recombinant technology' . Escherichia coli 'Rosetta 2 (DE3) (pLysS) and DL39' 'pDesT 14' 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 $VEEV_macro_domain 0.4 mM '[U-99% 15N]' NaCl 20 mM 'natural abundance' HEPES 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VEEV_macro_domain 0.8 mM '[U-98% 13C; U-98% 15N]' NaCl 20 mM 'natural abundance' HEPES 10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; specific labeling with [U-15N]LEU-VAL-ALA ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VEEV_macro_domain 0.01 mM '[U-99% 15N]' NaCl 20 mM 'natural abundance' HEPES 10 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'reverse labeling [U-14N]LYS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VEEV_macro_domain 0.02 mM '[U-99% 15N]' NaCl 20 mM 'natural abundance' HEPES 10 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VEEV_macro_domain 0.3 mM 'natural abundance' NaCl 20 mM 'natural abundance' HEPES 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance HD-III HD' _Field_strength 700 _Details 'equipped with TCI probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DPX _Field_strength 400 _Details 'equipped with BBI probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_5 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_5 save_ save_2D_1H-1H_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D HNHA' '3D HCCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_4 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'VEEV macro domain' _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 1 ALA H H 8.361 0.020 1 2 1 1 ALA HA H 4.674 0.020 1 3 1 1 ALA HB H 1.290 0.020 1 4 1 1 ALA C C 174.479 0.3 1 5 1 1 ALA CA C 50.237 0.3 1 6 1 1 ALA CB C 19.640 0.3 1 7 1 1 ALA N N 125.931 0.3 1 8 2 2 PRO HA H 4.405 0.020 1 9 2 2 PRO HB2 H 2.080 0.020 1 10 2 2 PRO HB3 H 2.080 0.020 1 11 2 2 PRO HG2 H 1.995 0.020 1 12 2 2 PRO HG3 H 1.995 0.020 1 13 2 2 PRO HD2 H 3.806 0.020 2 14 2 2 PRO HD3 H 3.564 0.020 2 15 2 2 PRO C C 175.636 0.3 1 16 2 2 PRO CA C 63.002 0.3 1 17 2 2 PRO CB C 31.958 0.3 1 18 2 2 PRO CG C 27.252 0.3 1 19 2 2 PRO CD C 50.308 0.3 1 20 2 2 PRO N N 138.130 0.3 1 21 3 3 SER H H 8.182 0.020 1 22 3 3 SER HA H 4.668 0.020 1 23 3 3 SER HB2 H 3.807 0.020 1 24 3 3 SER HB3 H 3.807 0.020 1 25 3 3 SER C C 172.182 0.3 1 26 3 3 SER CA C 56.221 0.3 1 27 3 3 SER CB C 65.581 0.3 1 28 3 3 SER N N 113.986 0.3 1 29 4 4 TYR H H 8.591 0.020 1 30 4 4 TYR HA H 5.602 0.020 1 31 4 4 TYR HB2 H 2.560 0.020 2 32 4 4 TYR HB3 H 2.644 0.020 2 33 4 4 TYR C C 175.937 0.3 1 34 4 4 TYR CA C 57.352 0.3 1 35 4 4 TYR CB C 42.533 0.3 1 36 4 4 TYR N N 120.318 0.3 1 37 5 5 HIS H H 8.858 0.020 1 38 5 5 HIS HA H 4.938 0.020 1 39 5 5 HIS HB2 H 3.266 0.020 1 40 5 5 HIS HB3 H 3.266 0.020 1 41 5 5 HIS C C 171.708 0.3 1 42 5 5 HIS CA C 54.822 0.3 1 43 5 5 HIS CB C 30.796 0.3 1 44 5 5 HIS N N 116.239 0.3 1 45 6 6 VAL H H 8.856 0.020 1 46 6 6 VAL HA H 4.411 0.020 1 47 6 6 VAL HB H 1.887 0.020 1 48 6 6 VAL HG1 H 0.792 0.020 1 49 6 6 VAL HG2 H 0.933 0.020 1 50 6 6 VAL C C 174.839 0.3 1 51 6 6 VAL CA C 61.025 0.3 1 52 6 6 VAL CB C 32.841 0.3 1 53 6 6 VAL CG1 C 21.923 0.3 1 54 6 6 VAL CG2 C 21.497 0.3 1 55 6 6 VAL N N 122.704 0.3 1 56 7 7 VAL H H 9.026 0.020 1 57 7 7 VAL HA H 3.917 0.020 1 58 7 7 VAL HB H 1.891 0.020 1 59 7 7 VAL HG1 H 0.562 0.020 1 60 7 7 VAL HG2 H 0.434 0.020 1 61 7 7 VAL C C 173.101 0.3 1 62 7 7 VAL CA C 61.210 0.3 1 63 7 7 VAL CB C 34.194 0.3 1 64 7 7 VAL CG1 C 21.205 0.3 1 65 7 7 VAL CG2 C 20.922 0.3 1 66 7 7 VAL N N 129.616 0.3 1 67 8 8 ARG H H 8.369 0.020 1 68 8 8 ARG HA H 5.259 0.020 1 69 8 8 ARG HB2 H 1.837 0.020 1 70 8 8 ARG HB3 H 1.837 0.020 1 71 8 8 ARG HG2 H 1.225 0.020 2 72 8 8 ARG HG3 H 1.325 0.020 2 73 8 8 ARG HD2 H 2.911 0.020 1 74 8 8 ARG HD3 H 2.911 0.020 1 75 8 8 ARG C C 175.704 0.3 1 76 8 8 ARG CA C 53.062 0.3 1 77 8 8 ARG CB C 30.797 0.3 1 78 8 8 ARG CG C 27.184 0.3 1 79 8 8 ARG CD C 42.801 0.3 1 80 8 8 ARG N N 127.570 0.3 1 81 9 9 GLY H H 8.747 0.020 1 82 9 9 GLY HA2 H 4.200 0.020 2 83 9 9 GLY HA3 H 4.062 0.020 2 84 9 9 GLY C C 170.744 0.3 1 85 9 9 GLY CA C 44.731 0.3 1 86 9 9 GLY N N 114.306 0.3 1 87 10 10 ASP H H 8.734 0.020 1 88 10 10 ASP HA H 4.647 0.020 1 89 10 10 ASP HB2 H 2.619 0.020 2 90 10 10 ASP HB3 H 2.887 0.020 2 91 10 10 ASP C C 176.976 0.3 1 92 10 10 ASP CA C 52.893 0.3 1 93 10 10 ASP CB C 41.835 0.3 1 94 10 10 ASP N N 119.637 0.3 1 95 11 11 ILE H H 8.603 0.020 1 96 11 11 ILE HA H 4.625 0.020 1 97 11 11 ILE HB H 2.014 0.020 1 98 11 11 ILE HG12 H 1.166 0.020 2 99 11 11 ILE HG13 H 1.254 0.020 2 100 11 11 ILE HG2 H 0.899 0.020 1 101 11 11 ILE HD1 H 0.828 0.020 1 102 11 11 ILE C C 174.488 0.3 1 103 11 11 ILE CA C 64.138 0.3 1 104 11 11 ILE CB C 37.996 0.3 1 105 11 11 ILE CG1 C 26.865 0.3 1 106 11 11 ILE CG2 C 17.494 0.3 1 107 11 11 ILE CD1 C 13.896 0.3 1 108 11 11 ILE N N 130.856 0.3 1 109 12 12 ALA H H 8.308 0.020 1 110 12 12 ALA HA H 4.153 0.020 1 111 12 12 ALA HB H 1.277 0.020 1 112 12 12 ALA C C 178.266 0.3 1 113 12 12 ALA CA C 54.106 0.3 1 114 12 12 ALA CB C 18.173 0.3 1 115 12 12 ALA N N 121.558 0.3 1 116 13 13 THR H H 7.949 0.020 1 117 13 13 THR HA H 4.399 0.020 1 118 13 13 THR HB H 4.388 0.020 1 119 13 13 THR HG2 H 1.264 0.020 1 120 13 13 THR C C 174.619 0.3 1 121 13 13 THR CA C 60.778 0.3 1 122 13 13 THR CB C 69.453 0.3 1 123 13 13 THR CG2 C 21.317 0.3 1 124 13 13 THR N N 106.030 0.3 1 125 14 14 ALA H H 7.541 0.020 1 126 14 14 ALA HA H 4.355 0.020 1 127 14 14 ALA HB H 1.397 0.020 1 128 14 14 ALA C C 178.553 0.3 1 129 14 14 ALA CA C 53.947 0.3 1 130 14 14 ALA CB C 18.879 0.3 1 131 14 14 ALA N N 126.165 0.3 1 132 15 15 THR H H 7.986 0.020 1 133 15 15 THR HA H 4.251 0.020 1 134 15 15 THR HB H 4.375 0.020 1 135 15 15 THR HG2 H 1.285 0.020 1 136 15 15 THR C C 174.909 0.3 1 137 15 15 THR CA C 61.674 0.3 1 138 15 15 THR CB C 68.943 0.3 1 139 15 15 THR CG2 C 21.703 0.3 1 140 15 15 THR N N 110.703 0.3 1 141 16 16 GLU H H 8.572 0.020 1 142 16 16 GLU HA H 3.964 0.020 1 143 16 16 GLU HB2 H 1.929 0.020 2 144 16 16 GLU HB3 H 1.685 0.020 2 145 16 16 GLU HG2 H 2.461 0.020 2 146 16 16 GLU HG3 H 2.318 0.020 2 147 16 16 GLU C C 175.897 0.3 1 148 16 16 GLU CA C 59.144 0.3 1 149 16 16 GLU CB C 30.093 0.3 1 150 16 16 GLU CG C 36.314 0.3 1 151 16 16 GLU N N 124.046 0.3 1 152 17 17 GLY H H 8.214 0.020 1 153 17 17 GLY HA2 H 3.758 0.020 2 154 17 17 GLY HA3 H 3.844 0.020 2 155 17 17 GLY C C 172.501 0.3 1 156 17 17 GLY CA C 46.383 0.3 1 157 17 17 GLY N N 106.539 0.3 1 158 18 18 VAL H H 7.189 0.020 1 159 18 18 VAL HA H 4.551 0.020 1 160 18 18 VAL HB H 1.138 0.020 1 161 18 18 VAL HG1 H 0.426 0.020 1 162 18 18 VAL HG2 H 0.236 0.020 1 163 18 18 VAL C C 171.973 0.3 1 164 18 18 VAL CA C 59.587 0.3 1 165 18 18 VAL CB C 33.916 0.3 1 166 18 18 VAL CG1 C 20.027 0.3 1 167 18 18 VAL CG2 C 21.532 0.3 1 168 18 18 VAL N N 117.432 0.3 1 169 19 19 ILE H H 7.601 0.020 1 170 19 19 ILE HA H 4.570 0.020 1 171 19 19 ILE HB H 1.260 0.020 1 172 19 19 ILE HG12 H 1.287 0.020 2 173 19 19 ILE HG13 H 0.747 0.020 2 174 19 19 ILE HG2 H 0.657 0.020 1 175 19 19 ILE HD1 H 0.727 0.020 1 176 19 19 ILE C C 174.055 0.3 1 177 19 19 ILE CA C 59.429 0.3 1 178 19 19 ILE CB C 42.373 0.3 1 179 19 19 ILE CG1 C 27.486 0.3 1 180 19 19 ILE CG2 C 18.079 0.3 1 181 19 19 ILE CD1 C 14.237 0.3 1 182 19 19 ILE N N 124.585 0.3 1 183 20 20 ILE H H 8.586 0.020 1 184 20 20 ILE HA H 4.956 0.020 1 185 20 20 ILE HB H 1.951 0.020 1 186 20 20 ILE HG12 H 1.445 0.020 2 187 20 20 ILE HG13 H 1.596 0.020 2 188 20 20 ILE HG2 H 1.061 0.020 1 189 20 20 ILE HD1 H 0.787 0.020 1 190 20 20 ILE C C 172.918 0.3 1 191 20 20 ILE CA C 58.986 0.3 1 192 20 20 ILE CB C 38.251 0.3 1 193 20 20 ILE CG1 C 29.166 0.3 1 194 20 20 ILE CG2 C 19.538 0.3 1 195 20 20 ILE CD1 C 15.116 0.3 1 196 20 20 ILE N N 128.785 0.3 1 197 21 21 ASN H H 8.609 0.020 1 198 21 21 ASN HA H 4.722 0.020 1 199 21 21 ASN HB2 H 2.205 0.020 2 200 21 21 ASN HB3 H 1.931 0.020 2 201 21 21 ASN C C 175.112 0.3 1 202 21 21 ASN CA C 50.553 0.3 1 203 21 21 ASN CB C 41.109 0.3 1 204 21 21 ASN N N 120.125 0.3 1 205 22 22 ALA H H 6.725 0.020 1 206 22 22 ALA HA H 4.525 0.020 1 207 22 22 ALA HB H 1.146 0.020 1 208 22 22 ALA C C 174.000 0.3 1 209 22 22 ALA CA C 50.690 0.3 1 210 22 22 ALA CB C 17.108 0.3 1 211 22 22 ALA N N 132.445 0.3 1 212 23 23 ALA H H 7.788 0.020 1 213 23 23 ALA HA H 4.488 0.020 1 214 23 23 ALA HB H 1.353 0.020 1 215 23 23 ALA C C 175.704 0.3 1 216 23 23 ALA CA C 51.428 0.3 1 217 23 23 ALA CB C 21.514 0.3 1 218 23 23 ALA N N 127.233 0.3 1 219 24 24 ASN H H 8.552 0.020 1 220 24 24 ASN HA H 5.302 0.020 1 221 24 24 ASN HB2 H 2.948 0.020 2 222 24 24 ASN HB3 H 3.131 0.020 2 223 24 24 ASN C C 176.356 0.3 1 224 24 24 ASN CA C 51.270 0.3 1 225 24 24 ASN CB C 41.750 0.3 1 226 24 24 ASN N N 114.049 0.3 1 227 25 25 SER H H 9.087 0.020 1 228 25 25 SER HA H 4.16 0.020 1 229 25 25 SER HB2 H 3.111 0.020 1 230 25 25 SER HB3 H 3.111 0.020 1 231 25 25 SER C C 175.997 0.3 1 232 25 25 SER CA C 60.705 0.3 1 233 25 25 SER CB C 63.306 0.3 1 234 25 25 SER N N 114.105 0.3 1 235 26 26 LYS H H 7.728 0.020 1 236 26 26 LYS HA H 4.269 0.020 1 237 26 26 LYS HB2 H 1.914 0.020 2 238 26 26 LYS HB3 H 1.732 0.020 2 239 26 26 LYS HG2 H 1.382 0.020 2 240 26 26 LYS HG3 H 1.520 0.020 2 241 26 26 LYS HD2 H 1.637 0.020 1 242 26 26 LYS HD3 H 1.637 0.020 1 243 26 26 LYS HE2 H 2.931 0.020 1 244 26 26 LYS HE3 H 2.931 0.020 1 245 26 26 LYS C C 176.936 0.3 1 246 26 26 LYS CA C 56.172 0.3 1 247 26 26 LYS CB C 32.374 0.3 1 248 26 26 LYS CG C 25.005 0.3 1 249 26 26 LYS CD C 28.678 0.3 1 250 26 26 LYS CE C 41.968 0.3 1 251 26 26 LYS N N 119.061 0.3 1 252 27 27 GLY H H 8.256 0.020 1 253 27 27 GLY HA2 H 3.543 0.020 2 254 27 27 GLY HA3 H 3.909 0.020 2 255 27 27 GLY C C 174.325 0.3 1 256 27 27 GLY CA C 45.483 0.3 1 257 27 27 GLY N N 108.892 0.3 1 258 28 28 GLN H H 7.310 0.020 1 259 28 28 GLN HA H 4.381 0.020 1 260 28 28 GLN HB2 H 2.031 0.020 1 261 28 28 GLN HB3 H 2.031 0.020 1 262 28 28 GLN HG2 H 2.277 0.020 2 263 28 28 GLN HG3 H 2.158 0.020 2 264 28 28 GLN C C 174.406 0.3 1 265 28 28 GLN CA C 52.883 0.3 1 266 28 28 GLN CB C 28.631 0.3 1 267 28 28 GLN CG C 33.147 0.3 1 268 28 28 GLN N N 116.121 0.3 1 269 29 29 PRO HA H 4.074 0.020 1 270 29 29 PRO HB2 H 1.722 0.020 1 271 29 29 PRO HB3 H 1.722 0.020 1 272 29 29 PRO HG2 H 1.556 0.020 1 273 29 29 PRO HG3 H 1.556 0.020 1 274 29 29 PRO HD2 H 3.071 0.020 1 275 29 29 PRO HD3 H 3.071 0.020 1 276 29 29 PRO C C 177.703 0.3 1 277 29 29 PRO CA C 59.289 0.3 1 278 29 29 PRO CB C 29.792 0.3 1 279 29 29 PRO CG C 24.875 0.3 1 280 29 29 PRO CD C 42.091 0.3 1 281 29 29 PRO N N 138.130 0.3 1 282 30 30 GLY H H 8.203 0.020 1 283 30 30 GLY HA2 H 3.386 0.020 1 284 30 30 GLY HA3 H 3.386 0.020 1 285 30 30 GLY C C 171.663 0.3 1 286 30 30 GLY CA C 42.640 0.3 1 287 30 30 GLY N N 122.683 0.3 1 288 33 33 VAL HA H 3.843 0.020 1 289 33 33 VAL HB H 2.076 0.020 1 290 33 33 VAL HG1 H 0.837 0.020 1 291 33 33 VAL HG2 H 0.837 0.020 1 292 33 33 VAL C C 176.375 0.3 1 293 33 33 VAL CA C 65.216 0.3 1 294 33 33 VAL CB C 31.691 0.3 1 295 33 33 VAL CG1 C 21.259 0.3 1 296 33 33 VAL CG2 C 21.580 0.3 1 297 34 34 CYS H H 8.389 0.020 1 298 34 34 CYS HA H 4.704 0.020 1 299 34 34 CYS HB2 H 3.456 0.020 2 300 34 34 CYS HB3 H 3.293 0.020 2 301 34 34 CYS C C 176.596 0.3 1 302 34 34 CYS CA C 59.713 0.3 1 303 34 34 CYS CB C 26.301 0.3 1 304 34 34 CYS N N 119.630 0.3 1 305 35 35 GLY H H 7.417 0.020 1 306 35 35 GLY HA2 H 3.999 0.020 1 307 35 35 GLY HA3 H 3.999 0.020 1 308 35 35 GLY C C 176.097 0.3 1 309 35 35 GLY CA C 47.557 0.3 1 310 35 35 GLY N N 106.302 0.3 1 311 36 36 ALA H H 7.979 0.020 1 312 36 36 ALA HA H 4.208 0.020 1 313 36 36 ALA HB H 1.538 0.020 1 314 36 36 ALA C C 180.877 0.3 1 315 36 36 ALA CA C 54.538 0.3 1 316 36 36 ALA CB C 18.430 0.3 1 317 36 36 ALA N N 124.680 0.3 1 318 37 37 LEU H H 8.526 0.020 1 319 37 37 LEU HA H 4.178 0.020 1 320 37 37 LEU HB2 H 1.564 0.020 1 321 37 37 LEU HB3 H 1.564 0.020 1 322 37 37 LEU HG H 1.908 0.020 1 323 37 37 LEU HD1 H 0.976 0.020 1 324 37 37 LEU HD2 H 0.860 0.020 1 325 37 37 LEU C C 177.885 0.3 1 326 37 37 LEU CA C 57.742 0.3 1 327 37 37 LEU CB C 41.845 0.3 1 328 37 37 LEU CG C 27.097 0.3 1 329 37 37 LEU CD1 C 23.719 0.3 1 330 37 37 LEU CD2 C 25.239 0.3 1 331 37 37 LEU N N 118.085 0.3 1 332 38 38 TYR HA H 4.242 0.020 1 333 38 38 TYR HB2 H 3.411 0.020 1 334 38 38 TYR HB3 H 3.411 0.020 1 335 38 38 TYR C C 175.816 0.3 1 336 38 38 TYR CA C 61.797 0.3 1 337 38 38 TYR CB C 37.703 0.3 1 338 39 39 LYS H H 7.367 0.020 1 339 39 39 LYS HA H 3.727 0.020 1 340 39 39 LYS HB2 H 1.759 0.020 1 341 39 39 LYS HB3 H 1.759 0.020 1 342 39 39 LYS HG2 H 1.457 0.020 2 343 39 39 LYS HG3 H 1.359 0.020 2 344 39 39 LYS HD2 H 1.616 0.020 1 345 39 39 LYS HD3 H 1.616 0.020 1 346 39 39 LYS HE2 H 2.927 0.020 1 347 39 39 LYS HE3 H 2.927 0.020 1 348 39 39 LYS C C 177.675 0.3 1 349 39 39 LYS CA C 58.090 0.3 1 350 39 39 LYS CB C 32.173 0.3 1 351 39 39 LYS CG C 24.935 0.3 1 352 39 39 LYS CD C 28.782 0.3 1 353 39 39 LYS CE C 41.894 0.3 1 354 39 39 LYS N N 114.910 0.3 1 355 40 40 LYS H H 6.909 0.020 1 356 40 40 LYS HA H 3.904 0.020 1 357 40 40 LYS HB2 H 0.891 0.020 2 358 40 40 LYS HB3 H 1.237 0.020 2 359 40 40 LYS HG2 H 0.625 0.020 2 360 40 40 LYS HG3 H 0.555 0.020 2 361 40 40 LYS HD2 H 1.325 0.020 1 362 40 40 LYS HD3 H 1.325 0.020 1 363 40 40 LYS HE2 H 2.548 0.020 1 364 40 40 LYS HE3 H 2.548 0.020 1 365 40 40 LYS C C 175.817 0.3 1 366 40 40 LYS CA C 57.205 0.3 1 367 40 40 LYS CB C 34.044 0.3 1 368 40 40 LYS CG C 23.881 0.3 1 369 40 40 LYS CD C 28.310 0.3 1 370 40 40 LYS CE C 41.691 0.3 1 371 40 40 LYS N N 115.992 0.3 1 372 41 41 PHE H H 8.386 0.020 1 373 41 41 PHE HA H 5.368 0.020 1 374 41 41 PHE HB2 H 3.095 0.020 2 375 41 41 PHE HB3 H 3.128 0.020 2 376 41 41 PHE C C 173.430 0.3 1 377 41 41 PHE CA C 53.768 0.3 1 378 41 41 PHE CB C 39.791 0.3 1 379 41 41 PHE N N 115.588 0.3 1 380 42 42 PRO HA H 4.037 0.020 1 381 42 42 PRO HB2 H 1.507 0.020 1 382 42 42 PRO HB3 H 1.507 0.020 1 383 42 42 PRO HG2 H 1.803 0.020 1 384 42 42 PRO HG3 H 1.803 0.020 1 385 42 42 PRO HD2 H 3.569 0.020 1 386 42 42 PRO HD3 H 3.569 0.020 1 387 42 42 PRO C C 179.711 0.3 1 388 42 42 PRO CA C 66.396 0.3 1 389 42 42 PRO CB C 29.835 0.3 1 390 42 42 PRO CG C 27.064 0.3 1 391 42 42 PRO CD C 49.477 0.3 1 392 42 42 PRO N N 138.130 0.3 1 393 43 43 GLU H H 9.244 0.020 1 394 43 43 GLU HA H 4.511 0.020 1 395 43 43 GLU HB2 H 2.196 0.020 2 396 43 43 GLU HB3 H 2.360 0.020 2 397 43 43 GLU HG2 H 2.525 0.020 1 398 43 43 GLU HG3 H 2.525 0.020 1 399 43 43 GLU C C 177.763 0.3 1 400 43 43 GLU CA C 58.248 0.3 1 401 43 43 GLU CB C 27.659 0.3 1 402 43 43 GLU CG C 36.011 0.3 1 403 43 43 GLU N N 116.102 0.3 1 404 44 44 SER H H 8.498 0.020 1 405 44 44 SER HA H 4.348 0.020 1 406 44 44 SER HB2 H 4.219 0.020 1 407 44 44 SER HB3 H 4.219 0.020 1 408 44 44 SER C C 171.252 0.3 1 409 44 44 SER CA C 58.550 0.3 1 410 44 44 SER CB C 63.419 0.3 1 411 44 44 SER N N 116.031 0.3 1 412 45 45 PHE H H 8.071 0.020 1 413 45 45 PHE HA H 4.476 0.020 1 414 45 45 PHE HB2 H 2.867 0.020 1 415 45 45 PHE HB3 H 2.867 0.020 1 416 45 45 PHE C C 174.023 0.3 1 417 45 45 PHE CA C 57.489 0.3 1 418 45 45 PHE CB C 40.391 0.3 1 419 45 45 PHE N N 121.443 0.3 1 420 46 46 ASP H H 7.944 0.020 1 421 46 46 ASP HA H 4.489 0.020 1 422 46 46 ASP HB2 H 2.479 0.020 2 423 46 46 ASP HB3 H 3.017 0.020 2 424 46 46 ASP C C 176.436 0.3 1 425 46 46 ASP CA C 53.199 0.3 1 426 46 46 ASP CB C 40.823 0.3 1 427 46 46 ASP N N 119.454 0.3 1 428 47 47 LEU H H 8.556 0.020 1 429 47 47 LEU HA H 4.117 0.020 1 430 47 47 LEU HB2 H 1.614 0.020 1 431 47 47 LEU HB3 H 1.614 0.020 1 432 47 47 LEU HG H 0.961 0.020 1 433 47 47 LEU HD1 H 0.863 0.020 1 434 47 47 LEU HD2 H 0.980 0.020 1 435 47 47 LEU C C 175.726 0.3 1 436 47 47 LEU CA C 55.508 0.3 1 437 47 47 LEU CB C 38.240 0.3 1 438 47 47 LEU CG C 25.337 0.3 1 439 47 47 LEU CD1 C 22.535 0.3 1 440 47 47 LEU CD2 C 22.894 0.3 1 441 47 47 LEU N N 114.986 0.3 1 442 48 48 GLN H H 7.523 0.020 1 443 48 48 GLN HA H 4.408 0.020 1 444 48 48 GLN HB2 H 2.018 0.020 1 445 48 48 GLN HB3 H 2.018 0.020 1 446 48 48 GLN HG2 H 2.243 0.020 1 447 48 48 GLN HG3 H 2.243 0.020 1 448 48 48 GLN C C 173.462 0.3 1 449 48 48 GLN CA C 52.451 0.3 1 450 48 48 GLN CB C 28.650 0.3 1 451 48 48 GLN CG C 33.210 0.3 1 452 48 48 GLN N N 117.133 0.3 1 453 49 49 PRO HA H 4.465 0.020 1 454 49 49 PRO HB2 H 2.083 0.020 1 455 49 49 PRO HB3 H 2.083 0.020 1 456 49 49 PRO HG2 H 1.925 0.020 1 457 49 49 PRO HG3 H 1.925 0.020 1 458 49 49 PRO HD2 H 3.612 0.020 1 459 49 49 PRO HD3 H 3.612 0.020 1 460 49 49 PRO C C 175.562 0.3 1 461 49 49 PRO CA C 63.297 0.3 1 462 49 49 PRO CB C 32.912 0.3 1 463 49 49 PRO CG C 26.808 0.3 1 464 49 49 PRO CD C 49.825 0.3 1 465 49 49 PRO N N 138.130 0.3 1 466 50 50 ILE H H 7.957 0.020 1 467 50 50 ILE HA H 3.974 0.020 1 468 50 50 ILE HB H 1.332 0.020 1 469 50 50 ILE HG12 H 1.518 0.020 1 470 50 50 ILE HG13 H 1.518 0.020 1 471 50 50 ILE HG2 H 0.747 0.020 1 472 50 50 ILE HD1 H 0.720 0.020 1 473 50 50 ILE C C 174.140 0.3 1 474 50 50 ILE CA C 60.915 0.3 1 475 50 50 ILE CB C 42.121 0.3 1 476 50 50 ILE CG1 C 27.726 0.3 1 477 50 50 ILE CG2 C 17.426 0.3 1 478 50 50 ILE CD1 C 15.999 0.3 1 479 50 50 ILE N N 122.621 0.3 1 480 51 51 GLU H H 8.265 0.020 1 481 51 51 GLU HA H 4.062 0.020 1 482 51 51 GLU HB2 H 1.918 0.020 2 483 51 51 GLU HB3 H 1.675 0.020 2 484 51 51 GLU HG2 H 2.299 0.020 2 485 51 51 GLU HG3 H 2.260 0.020 2 486 51 51 GLU C C 175.552 0.3 1 487 51 51 GLU CA C 56.435 0.3 1 488 51 51 GLU CB C 30.009 0.3 1 489 51 51 GLU CG C 36.598 0.3 1 490 51 51 GLU N N 125.149 0.3 1 491 52 52 VAL H H 8.093 0.020 1 492 52 52 VAL HA H 3.371 0.020 1 493 52 52 VAL HB H 1.777 0.020 1 494 52 52 VAL HG1 H 0.899 0.020 1 495 52 52 VAL HG2 H 0.609 0.020 1 496 52 52 VAL C C 177.001 0.3 1 497 52 52 VAL CA C 64.457 0.3 1 498 52 52 VAL CB C 30.522 0.3 1 499 52 52 VAL CG1 C 21.251 0.3 1 500 52 52 VAL CG2 C 20.928 0.3 1 501 52 52 VAL N N 119.667 0.3 1 502 53 53 GLY H H 8.968 0.020 1 503 53 53 GLY HA2 H 4.253 0.020 2 504 53 53 GLY HA3 H 3.572 0.020 2 505 53 53 GLY C C 171.846 0.3 1 506 53 53 GLY CA C 44.418 0.3 1 507 53 53 GLY N N 115.408 0.3 1 508 54 54 LYS H H 7.891 0.020 1 509 54 54 LYS HA H 4.669 0.020 1 510 54 54 LYS HB2 H 2.078 0.020 1 511 54 54 LYS HB3 H 2.078 0.020 1 512 54 54 LYS HG2 H 1.333 0.020 2 513 54 54 LYS HG3 H 1.132 0.020 2 514 54 54 LYS HD2 H 1.677 0.020 1 515 54 54 LYS HD3 H 1.677 0.020 1 516 54 54 LYS HE2 H 2.887 0.020 1 517 54 54 LYS HE3 H 2.887 0.020 1 518 54 54 LYS C C 173.510 0.3 1 519 54 54 LYS CA C 53.357 0.3 1 520 54 54 LYS CB C 33.600 0.3 1 521 54 54 LYS CG C 25.661 0.3 1 522 54 54 LYS CD C 30.254 0.3 1 523 54 54 LYS CE C 41.964 0.3 1 524 54 54 LYS N N 117.247 0.3 1 525 55 55 ALA H H 7.744 0.020 1 526 55 55 ALA HA H 5.640 0.020 1 527 55 55 ALA HB H 0.976 0.020 1 528 55 55 ALA C C 176.313 0.3 1 529 55 55 ALA CA C 50.079 0.3 1 530 55 55 ALA CB C 23.310 0.3 1 531 55 55 ALA N N 115.399 0.3 1 532 56 56 ARG H H 8.691 0.020 1 533 56 56 ARG HA H 4.601 0.020 1 534 56 56 ARG HB2 H 1.669 0.020 1 535 56 56 ARG HB3 H 1.669 0.020 1 536 56 56 ARG HG2 H 1.594 0.020 1 537 56 56 ARG HG3 H 1.594 0.020 1 538 56 56 ARG HD2 H 3.192 0.020 1 539 56 56 ARG HD3 H 3.192 0.020 1 540 56 56 ARG C C 174.119 0.3 1 541 56 56 ARG CA C 55.729 0.3 1 542 56 56 ARG CB C 34.374 0.3 1 543 56 56 ARG CG C 28.317 0.3 1 544 56 56 ARG CD C 42.789 0.3 1 545 56 56 ARG N N 120.273 0.3 1 546 57 57 LEU H H 9.006 0.020 1 547 57 57 LEU HA H 4.838 0.020 1 548 57 57 LEU HB2 H 1.967 0.020 1 549 57 57 LEU HB3 H 1.967 0.020 1 550 57 57 LEU HG H 0.992 0.020 1 551 57 57 LEU HD1 H 0.794 0.020 1 552 57 57 LEU HD2 H 0.794 0.020 1 553 57 57 LEU C C 175.238 0.3 1 554 57 57 LEU CA C 54.390 0.3 1 555 57 57 LEU CB C 43.817 0.3 1 556 57 57 LEU CG C 26.948 0.3 1 557 57 57 LEU CD1 C 22.446 0.3 1 558 57 57 LEU CD2 C 22.826 0.3 1 559 57 57 LEU N N 130.254 0.3 1 560 58 58 VAL H H 9.342 0.020 1 561 58 58 VAL HA H 4.164 0.020 1 562 58 58 VAL HB H 2.292 0.020 1 563 58 58 VAL HG1 H 0.826 0.020 1 564 58 58 VAL HG2 H 0.895 0.020 1 565 58 58 VAL C C 175.208 0.3 1 566 58 58 VAL CA C 62.243 0.3 1 567 58 58 VAL CB C 33.310 0.3 1 568 58 58 VAL CG1 C 21.033 0.3 1 569 58 58 VAL CG2 C 21.388 0.3 1 570 58 58 VAL N N 128.398 0.3 1 571 59 59 LYS H H 8.763 0.020 1 572 59 59 LYS HA H 3.923 0.020 1 573 59 59 LYS HB2 H 1.625 0.020 1 574 59 59 LYS HB3 H 1.625 0.020 1 575 59 59 LYS HG2 H 1.459 0.020 1 576 59 59 LYS HG3 H 1.459 0.020 1 577 59 59 LYS HD2 H 1.595 0.020 1 578 59 59 LYS HD3 H 1.595 0.020 1 579 59 59 LYS HE2 H 2.870 0.020 1 580 59 59 LYS HE3 H 2.870 0.020 1 581 59 59 LYS C C 176.017 0.3 1 582 59 59 LYS CA C 55.581 0.3 1 583 59 59 LYS CB C 31.592 0.3 1 584 59 59 LYS CG C 24.430 0.3 1 585 59 59 LYS CD C 29.107 0.3 1 586 59 59 LYS CE C 42.143 0.3 1 587 59 59 LYS N N 128.742 0.3 1 588 60 60 GLY H H 7.448 0.020 1 589 60 60 GLY HA2 H 4.209 0.020 2 590 60 60 GLY HA3 H 3.958 0.020 2 591 60 60 GLY C C 173.510 0.3 1 592 60 60 GLY CA C 44.454 0.3 1 593 60 60 GLY N N 110.154 0.3 1 594 61 61 ALA H H 8.235 0.020 1 595 61 61 ALA HA H 4.074 0.020 1 596 61 61 ALA HB H 1.450 0.020 1 597 61 61 ALA C C 178.379 0.3 1 598 61 61 ALA CA C 54.675 0.3 1 599 61 61 ALA CB C 18.832 0.3 1 600 61 61 ALA N N 121.366 0.3 1 601 62 62 ALA H H 8.469 0.020 1 602 62 62 ALA HA H 4.526 0.020 1 603 62 62 ALA HB H 1.609 0.020 1 604 62 62 ALA C C 177.247 0.3 1 605 62 62 ALA CA C 52.640 0.3 1 606 62 62 ALA CB C 20.173 0.3 1 607 62 62 ALA N N 117.814 0.3 1 608 63 63 LYS H H 7.407 0.020 1 609 63 63 LYS HA H 4.204 0.020 1 610 63 63 LYS HB2 H 0.704 0.020 2 611 63 63 LYS HB3 H 0.620 0.020 2 612 63 63 LYS HG2 H 0.843 0.020 1 613 63 63 LYS HG3 H 0.843 0.020 1 614 63 63 LYS HD2 H 1.476 0.020 1 615 63 63 LYS HD3 H 1.476 0.020 1 616 63 63 LYS HE2 H 2.780 0.020 1 617 63 63 LYS HE3 H 2.780 0.020 1 618 63 63 LYS C C 175.160 0.3 1 619 63 63 LYS CA C 53.515 0.3 1 620 63 63 LYS CB C 33.388 0.3 1 621 63 63 LYS CG C 23.019 0.3 1 622 63 63 LYS CD C 26.791 0.3 1 623 63 63 LYS CE C 42.076 0.3 1 624 63 63 LYS N N 115.968 0.3 1 625 64 64 HIS H H 8.854 0.020 1 626 64 64 HIS HA H 5.199 0.020 1 627 64 64 HIS HB2 H 3.228 0.020 1 628 64 64 HIS HB3 H 3.228 0.020 1 629 64 64 HIS C C 173.401 0.3 1 630 64 64 HIS CA C 54.696 0.3 1 631 64 64 HIS CB C 31.093 0.3 1 632 64 64 HIS N N 129.208 0.3 1 633 65 65 ILE H H 8.366 0.020 1 634 65 65 ILE HA H 5.158 0.020 1 635 65 65 ILE HB H 1.460 0.020 1 636 65 65 ILE HG12 H 0.812 0.020 1 637 65 65 ILE HG13 H 0.812 0.020 1 638 65 65 ILE HG2 H 0.74 0.020 1 639 65 65 ILE HD1 H 0.710 0.020 1 640 65 65 ILE C C 174.998 0.3 1 641 65 65 ILE CA C 58.638 0.3 1 642 65 65 ILE CB C 41.135 0.3 1 643 65 65 ILE CG1 C 27.047 0.3 1 644 65 65 ILE CG2 C 15.386 0.3 1 645 65 65 ILE CD1 C 13.558 0.3 1 646 65 65 ILE N N 121.004 0.3 1 647 66 66 ILE H H 8.598 0.020 1 648 66 66 ILE HA H 4.304 0.020 1 649 66 66 ILE HB H 1.582 0.020 1 650 66 66 ILE HG12 H 1.626 0.020 1 651 66 66 ILE HG13 H 1.626 0.020 1 652 66 66 ILE HG2 H 0.689 0.020 1 653 66 66 ILE HD1 H 0.739 0.020 1 654 66 66 ILE C C 174.215 0.3 1 655 66 66 ILE CA C 60.177 0.3 1 656 66 66 ILE CB C 38.948 0.3 1 657 66 66 ILE CG1 C 28.726 0.3 1 658 66 66 ILE CG2 C 19.419 0.3 1 659 66 66 ILE CD1 C 14.394 0.3 1 660 66 66 ILE N N 125.315 0.3 1 661 67 67 HIS H H 9.125 0.020 1 662 67 67 HIS HA H 4.532 0.020 1 663 67 67 HIS HB2 H 2.607 0.020 2 664 67 67 HIS HB3 H 2.532 0.020 2 665 67 67 HIS C C 173.398 0.3 1 666 67 67 HIS CA C 55.866 0.3 1 667 67 67 HIS CB C 32.156 0.3 1 668 67 67 HIS N N 130.417 0.3 1 669 68 68 ALA H H 8.552 0.020 1 670 68 68 ALA HA H 5.167 0.020 1 671 68 68 ALA HB H 1.096 0.020 1 672 68 68 ALA C C 175.608 0.3 1 673 68 68 ALA CA C 50.374 0.3 1 674 68 68 ALA CB C 23.680 0.3 1 675 68 68 ALA N N 126.805 0.3 1 676 69 69 VAL H H 7.971 0.020 1 677 69 69 VAL HA H 4.257 0.020 1 678 69 69 VAL HB H 2.053 0.020 1 679 69 69 VAL HG1 H 0.781 0.020 1 680 69 69 VAL HG2 H 0.781 0.020 1 681 69 69 VAL C C 175.848 0.3 1 682 69 69 VAL CA C 61.242 0.3 1 683 69 69 VAL CB C 31.276 0.3 1 684 69 69 VAL CG1 C 21.406 0.3 1 685 69 69 VAL CG2 C 22.469 0.3 1 686 69 69 VAL N N 123.469 0.3 1 687 70 70 GLY H H 8.610 0.020 1 688 70 70 GLY HA2 H 4.139 0.020 1 689 70 70 GLY HA3 H 4.139 0.020 1 690 70 70 GLY C C 176.147 0.3 1 691 70 70 GLY CA C 42.671 0.3 1 692 70 70 GLY N N 113.144 0.3 1 693 71 71 PRO HA H 3.956 0.020 1 694 71 71 PRO HB2 H 2.254 0.020 1 695 71 71 PRO HB3 H 2.254 0.020 1 696 71 71 PRO HG2 H 1.662 0.020 1 697 71 71 PRO HG3 H 1.662 0.020 1 698 71 71 PRO HD2 H 2.693 0.020 1 699 71 71 PRO HD3 H 2.693 0.020 1 700 71 71 PRO C C 175.117 0.3 1 701 71 71 PRO CA C 61.828 0.3 1 702 71 71 PRO CB C 31.657 0.3 1 703 71 71 PRO CG C 26.875 0.3 1 704 71 71 PRO CD C 48.539 0.3 1 705 71 71 PRO N N 138.130 0.3 1 706 72 72 ASN H H 8.171 0.020 1 707 72 72 ASN HA H 4.813 0.020 1 708 72 72 ASN HB2 H 2.871 0.020 1 709 72 72 ASN HB3 H 2.871 0.020 1 710 72 72 ASN C C 177.180 0.3 1 711 72 72 ASN CA C 50.176 0.3 1 712 72 72 ASN CB C 37.442 0.3 1 713 72 72 ASN N N 115.282 0.3 1 714 73 73 PHE H H 9.170 0.020 1 715 73 73 PHE HA H 4.263 0.020 1 716 73 73 PHE HB2 H 2.829 0.020 1 717 73 73 PHE HB3 H 2.829 0.020 1 718 73 73 PHE C C 175.697 0.3 1 719 73 73 PHE CA C 61.843 0.3 1 720 73 73 PHE CB C 37.855 0.3 1 721 73 73 PHE N N 123.116 0.3 1 722 74 74 ASN HA H 4.670 0.020 1 723 74 74 ASN HB2 H 2.731 0.020 1 724 74 74 ASN HB3 H 2.731 0.020 1 725 74 74 ASN C C 175.866 0.3 1 726 74 74 ASN CA C 56.035 0.3 1 727 74 74 ASN CB C 39.431 0.3 1 728 75 75 LYS H H 8.106 0.020 1 729 75 75 LYS HA H 4.576 0.020 1 730 75 75 LYS HB2 H 2.020 0.020 1 731 75 75 LYS HB3 H 2.020 0.020 1 732 75 75 LYS HG2 H 1.188 0.020 2 733 75 75 LYS HG3 H 1.328 0.020 2 734 75 75 LYS HD2 H 1.716 0.020 1 735 75 75 LYS HD3 H 1.716 0.020 1 736 75 75 LYS HE2 H 2.894 0.020 1 737 75 75 LYS HE3 H 2.894 0.020 1 738 75 75 LYS C C 175.238 0.3 1 739 75 75 LYS CA C 55.662 0.3 1 740 75 75 LYS CB C 34.908 0.3 1 741 75 75 LYS CG C 24.402 0.3 1 742 75 75 LYS CD C 28.472 0.3 1 743 75 75 LYS CE C 41.542 0.3 1 744 75 75 LYS N N 115.722 0.3 1 745 76 76 VAL H H 7.274 0.020 1 746 76 76 VAL HA H 4.594 0.020 1 747 76 76 VAL HB H 1.853 0.020 1 748 76 76 VAL HG1 H 0.736 0.020 1 749 76 76 VAL HG2 H 0.694 0.020 1 750 76 76 VAL C C 173.762 0.3 1 751 76 76 VAL CA C 59.597 0.3 1 752 76 76 VAL CB C 35.182 0.3 1 753 76 76 VAL CG1 C 20.954 0.3 1 754 76 76 VAL CG2 C 19.441 0.3 1 755 76 76 VAL N N 115.598 0.3 1 756 77 77 SER H H 8.333 0.020 1 757 77 77 SER HA H 4.582 0.020 1 758 77 77 SER HB2 H 4.405 0.020 1 759 77 77 SER HB3 H 4.405 0.020 1 760 77 77 SER C C 174.858 0.3 1 761 77 77 SER CA C 57.658 0.3 1 762 77 77 SER CB C 64.813 0.3 1 763 77 77 SER N N 117.529 0.3 1 764 78 78 GLU H H 8.806 0.020 1 765 78 78 GLU HA H 4.228 0.020 1 766 78 78 GLU HB2 H 2.097 0.020 2 767 78 78 GLU HB3 H 2.249 0.020 2 768 78 78 GLU HG2 H 2.513 0.020 2 769 78 78 GLU HG3 H 2.585 0.020 2 770 78 78 GLU C C 180.252 0.3 1 771 78 78 GLU CA C 59.882 0.3 1 772 78 78 GLU CB C 28.837 0.3 1 773 78 78 GLU CG C 35.660 0.3 1 774 78 78 GLU N N 119.393 0.3 1 775 79 79 VAL H H 8.264 0.020 1 776 79 79 VAL HA H 3.947 0.020 1 777 79 79 VAL HB H 2.073 0.020 1 778 79 79 VAL HG1 H 1.111 0.020 1 779 79 79 VAL HG2 H 1.016 0.020 1 780 79 79 VAL C C 178.266 0.3 1 781 79 79 VAL CA C 66.006 0.3 1 782 79 79 VAL CB C 31.879 0.3 1 783 79 79 VAL CG1 C 21.927 0.3 1 784 79 79 VAL CG2 C 20.782 0.3 1 785 79 79 VAL N N 118.683 0.3 1 786 80 80 GLU H H 7.612 0.020 1 787 80 80 GLU HA H 4.079 0.020 1 788 80 80 GLU HB2 H 1.877 0.020 2 789 80 80 GLU HB3 H 1.969 0.020 2 790 80 80 GLU HG2 H 2.137 0.020 1 791 80 80 GLU HG3 H 2.137 0.020 1 792 80 80 GLU C C 179.179 0.3 1 793 80 80 GLU CA C 58.986 0.3 1 794 80 80 GLU CB C 29.491 0.3 1 795 80 80 GLU CG C 36.198 0.3 1 796 80 80 GLU N N 121.077 0.3 1 797 81 81 GLY H H 8.918 0.020 1 798 81 81 GLY HA2 H 3.391 0.020 2 799 81 81 GLY HA3 H 3.463 0.020 2 800 81 81 GLY C C 175.176 0.3 1 801 81 81 GLY CA C 47.487 0.3 1 802 81 81 GLY N N 106.274 0.3 1 803 82 82 ASP H H 8.250 0.020 1 804 82 82 ASP HA H 4.554 0.020 1 805 82 82 ASP HB2 H 2.804 0.020 2 806 82 82 ASP HB3 H 2.922 0.020 2 807 82 82 ASP C C 177.177 0.3 1 808 82 82 ASP CA C 59.439 0.3 1 809 82 82 ASP CB C 42.378 0.3 1 810 82 82 ASP N N 120.825 0.3 1 811 83 83 LYS H H 7.015 0.020 1 812 83 83 LYS HA H 4.064 0.020 1 813 83 83 LYS HB2 H 1.986 0.020 1 814 83 83 LYS HB3 H 1.986 0.020 1 815 83 83 LYS HG2 H 1.491 0.020 1 816 83 83 LYS HG3 H 1.491 0.020 1 817 83 83 LYS HD2 H 1.637 0.020 1 818 83 83 LYS HD3 H 1.637 0.020 1 819 83 83 LYS HE2 H 2.935 0.020 1 820 83 83 LYS HE3 H 2.935 0.020 1 821 83 83 LYS C C 179.133 0.3 1 822 83 83 LYS CA C 59.123 0.3 1 823 83 83 LYS CB C 32.228 0.3 1 824 83 83 LYS CG C 24.720 0.3 1 825 83 83 LYS CD C 29.114 0.3 1 826 83 83 LYS CE C 42.052 0.3 1 827 83 83 LYS N N 115.922 0.3 1 828 84 84 GLN H H 7.883 0.020 1 829 84 84 GLN HA H 4.087 0.020 1 830 84 84 GLN HB2 H 2.013 0.020 1 831 84 84 GLN HB3 H 2.013 0.020 1 832 84 84 GLN HG2 H 2.579 0.020 2 833 84 84 GLN HG3 H 2.289 0.020 2 834 84 84 GLN C C 177.375 0.3 1 835 84 84 GLN CA C 58.554 0.3 1 836 84 84 GLN CB C 28.503 0.3 1 837 84 84 GLN CG C 33.806 0.3 1 838 84 84 GLN N N 118.339 0.3 1 839 85 85 LEU H H 8.439 0.020 1 840 85 85 LEU HA H 3.946 0.020 1 841 85 85 LEU HB2 H 1.515 0.020 1 842 85 85 LEU HB3 H 1.515 0.020 1 843 85 85 LEU HG H 1.226 0.020 1 844 85 85 LEU HD1 H 0.732 0.020 1 845 85 85 LEU HD2 H 0.637 0.020 1 846 85 85 LEU C C 176.856 0.3 1 847 85 85 LEU CA C 57.363 0.3 1 848 85 85 LEU CB C 41.955 0.3 1 849 85 85 LEU CG C 26.337 0.3 1 850 85 85 LEU CD1 C 23.225 0.3 1 851 85 85 LEU CD2 C 23.748 0.3 1 852 85 85 LEU N N 121.605 0.3 1 853 86 86 ALA H H 7.362 0.020 1 854 86 86 ALA HA H 3.819 0.020 1 855 86 86 ALA HB H 1.168 0.020 1 856 86 86 ALA C C 180.861 0.3 1 857 86 86 ALA CA C 55.876 0.3 1 858 86 86 ALA CB C 17.645 0.3 1 859 86 86 ALA N N 120.379 0.3 1 860 87 87 GLU H H 8.082 0.020 1 861 87 87 GLU HA H 3.925 0.020 1 862 87 87 GLU HB2 H 2.146 0.020 2 863 87 87 GLU HB3 H 2.082 0.020 2 864 87 87 GLU HG2 H 2.261 0.020 2 865 87 87 GLU HG3 H 2.441 0.020 2 866 87 87 GLU C C 178.571 0.3 1 867 87 87 GLU CA C 59.408 0.3 1 868 87 87 GLU CB C 29.420 0.3 1 869 87 87 GLU CG C 36.183 0.3 1 870 87 87 GLU N N 117.759 0.3 1 871 88 88 ALA H H 8.213 0.020 1 872 88 88 ALA HA H 3.731 0.020 1 873 88 88 ALA HB H 1.079 0.020 1 874 88 88 ALA C C 180.011 0.3 1 875 88 88 ALA CA C 55.360 0.3 1 876 88 88 ALA CB C 17.421 0.3 1 877 88 88 ALA N N 122.891 0.3 1 878 89 89 TYR H H 7.365 0.020 1 879 89 89 TYR HA H 4.323 0.020 1 880 89 89 TYR HB2 H 2.997 0.020 2 881 89 89 TYR HB3 H 2.703 0.020 2 882 89 89 TYR C C 178.334 0.3 1 883 89 89 TYR CA C 62.422 0.3 1 884 89 89 TYR CB C 38.706 0.3 1 885 89 89 TYR N N 113.077 0.3 1 886 90 90 GLU H H 8.540 0.020 1 887 90 90 GLU HA H 3.967 0.020 1 888 90 90 GLU HB2 H 2.177 0.020 1 889 90 90 GLU HB3 H 2.177 0.020 1 890 90 90 GLU HG2 H 2.521 0.020 2 891 90 90 GLU HG3 H 2.288 0.020 2 892 90 90 GLU C C 180.012 0.3 1 893 90 90 GLU CA C 60.219 0.3 1 894 90 90 GLU CB C 29.009 0.3 1 895 90 90 GLU CG C 36.251 0.3 1 896 90 90 GLU N N 122.265 0.3 1 897 91 91 SER H H 9.171 0.020 1 898 91 91 SER HA H 4.258 0.020 1 899 91 91 SER HB2 H 4.350 0.020 1 900 91 91 SER HB3 H 4.350 0.020 1 901 91 91 SER C C 177.015 0.3 1 902 91 91 SER CA C 62.110 0.3 1 903 91 91 SER CB C 65.96 0.3 1 904 91 91 SER N N 117.843 0.3 1 905 92 92 ILE H H 7.604 0.020 1 906 92 92 ILE HA H 3.363 0.020 1 907 92 92 ILE HB H 2.260 0.020 1 908 92 92 ILE HG12 H 1.840 0.020 1 909 92 92 ILE HG13 H 1.840 0.020 1 910 92 92 ILE HG2 H 0.971 0.020 1 911 92 92 ILE HD1 H 0.806 0.020 1 912 92 92 ILE C C 176.585 0.3 1 913 92 92 ILE CA C 65.964 0.3 1 914 92 92 ILE CB C 38.252 0.3 1 915 92 92 ILE CG1 C 29.063 0.3 1 916 92 92 ILE CG2 C 17.187 0.3 1 917 92 92 ILE CD1 C 15.748 0.3 1 918 92 92 ILE N N 121.605 0.3 1 919 93 93 ALA H H 8.329 0.020 1 920 93 93 ALA HA H 3.668 0.020 1 921 93 93 ALA HB H 1.345 0.020 1 922 93 93 ALA C C 177.954 0.3 1 923 93 93 ALA CA C 55.813 0.3 1 924 93 93 ALA CB C 18.385 0.3 1 925 93 93 ALA N N 121.310 0.3 1 926 94 94 LYS H H 8.034 0.020 1 927 94 94 LYS HA H 4.114 0.020 1 928 94 94 LYS HB2 H 1.978 0.020 1 929 94 94 LYS HB3 H 1.978 0.020 1 930 94 94 LYS HG2 H 1.464 0.020 2 931 94 94 LYS HG3 H 1.592 0.020 2 932 94 94 LYS HD2 H 1.809 0.020 1 933 94 94 LYS HD3 H 1.809 0.020 1 934 94 94 LYS HE2 H 2.904 0.020 1 935 94 94 LYS HE3 H 2.904 0.020 1 936 94 94 LYS C C 178.034 0.3 1 937 94 94 LYS CA C 59.576 0.3 1 938 94 94 LYS CB C 32.379 0.3 1 939 94 94 LYS CG C 25.045 0.3 1 940 94 94 LYS CD C 28.938 0.3 1 941 94 94 LYS CE C 42.196 0.3 1 942 94 94 LYS N N 116.762 0.3 1 943 95 95 ILE H H 7.220 0.020 1 944 95 95 ILE HA H 3.827 0.020 1 945 95 95 ILE HB H 1.956 0.020 1 946 95 95 ILE HG12 H 1.107 0.020 1 947 95 95 ILE HG13 H 1.107 0.020 1 948 95 95 ILE HG2 H 1.054 0.020 1 949 95 95 ILE HD1 H 0.764 0.020 1 950 95 95 ILE C C 179.732 0.3 1 951 95 95 ILE CA C 65.532 0.3 1 952 95 95 ILE CB C 38.668 0.3 1 953 95 95 ILE CG1 C 29.355 0.3 1 954 95 95 ILE CG2 C 19.684 0.3 1 955 95 95 ILE CD1 C 14.982 0.3 1 956 95 95 ILE N N 118.402 0.3 1 957 96 96 VAL H H 8.509 0.020 1 958 96 96 VAL HA H 3.792 0.020 1 959 96 96 VAL HB H 2.350 0.020 1 960 96 96 VAL HG1 H 1.043 0.020 1 961 96 96 VAL HG2 H 0.914 0.020 1 962 96 96 VAL C C 177.415 0.3 1 963 96 96 VAL CA C 67.767 0.3 1 964 96 96 VAL CB C 31.587 0.3 1 965 96 96 VAL CG1 C 23.427 0.3 1 966 96 96 VAL CG2 C 21.218 0.3 1 967 96 96 VAL N N 122.079 0.3 1 968 97 97 ASN H H 8.473 0.020 1 969 97 97 ASN HA H 4.620 0.020 1 970 97 97 ASN HB2 H 2.876 0.020 1 971 97 97 ASN HB3 H 2.876 0.020 1 972 97 97 ASN C C 178.913 0.3 1 973 97 97 ASN CA C 55.855 0.3 1 974 97 97 ASN CB C 38.293 0.3 1 975 97 97 ASN N N 117.454 0.3 1 976 98 98 ASP H H 9.028 0.020 1 977 98 98 ASP HA H 4.364 0.020 1 978 98 98 ASP HB2 H 2.580 0.020 2 979 98 98 ASP HB3 H 2.746 0.020 2 980 98 98 ASP C C 177.338 0.3 1 981 98 98 ASP CA C 57.066 0.3 1 982 98 98 ASP CB C 40.150 0.3 1 983 98 98 ASP N N 120.612 0.3 1 984 99 99 ASN H H 7.411 0.020 1 985 99 99 ASN HA H 4.514 0.020 1 986 99 99 ASN HB2 H 1.982 0.020 2 987 99 99 ASN HB3 H 2.112 0.020 2 988 99 99 ASN C C 172.614 0.3 1 989 99 99 ASN CA C 53.347 0.3 1 990 99 99 ASN CB C 40.584 0.3 1 991 99 99 ASN N N 113.123 0.3 1 992 100 100 ASN H H 7.795 0.020 1 993 100 100 ASN HA H 4.439 0.020 1 994 100 100 ASN HB2 H 2.995 0.020 2 995 100 100 ASN HB3 H 2.614 0.020 2 996 100 100 ASN C C 174.659 0.3 1 997 100 100 ASN CA C 54.253 0.3 1 998 100 100 ASN CB C 37.548 0.3 1 999 100 100 ASN N N 116.946 0.3 1 1000 101 101 TYR H H 7.673 0.020 1 1001 101 101 TYR HA H 4.573 0.020 1 1002 101 101 TYR HB2 H 2.964 0.020 1 1003 101 101 TYR HB3 H 2.964 0.020 1 1004 101 101 TYR C C 176.761 0.3 1 1005 101 101 TYR CA C 59.262 0.3 1 1006 101 101 TYR CB C 38.692 0.3 1 1007 101 101 TYR N N 115.618 0.3 1 1008 102 102 LYS H H 8.833 0.020 1 1009 102 102 LYS HA H 4.400 0.020 1 1010 102 102 LYS HB2 H 1.843 0.020 1 1011 102 102 LYS HB3 H 1.843 0.020 1 1012 102 102 LYS HG2 H 1.559 0.020 1 1013 102 102 LYS HG3 H 1.559 0.020 1 1014 102 102 LYS HD2 H 1.645 0.020 1 1015 102 102 LYS HD3 H 1.645 0.020 1 1016 102 102 LYS HE2 H 2.986 0.020 1 1017 102 102 LYS HE3 H 2.986 0.020 1 1018 102 102 LYS C C 176.721 0.3 1 1019 102 102 LYS CA C 55.297 0.3 1 1020 102 102 LYS CB C 32.655 0.3 1 1021 102 102 LYS CG C 24.178 0.3 1 1022 102 102 LYS CD C 27.858 0.3 1 1023 102 102 LYS CE C 42.038 0.3 1 1024 102 102 LYS N N 120.013 0.3 1 1025 103 103 SER H H 7.854 0.020 1 1026 103 103 SER HA H 5.448 0.020 1 1027 103 103 SER HB2 H 4.110 0.020 1 1028 103 103 SER HB3 H 4.110 0.020 1 1029 103 103 SER C C 172.758 0.3 1 1030 103 103 SER CA C 56.762 0.3 1 1031 103 103 SER CB C 64.924 0.3 1 1032 103 103 SER N N 113.509 0.3 1 1033 104 104 VAL H H 8.335 0.020 1 1034 104 104 VAL HA H 4.571 0.020 1 1035 104 104 VAL HB H 1.699 0.020 1 1036 104 104 VAL HG1 H 0.665 0.020 1 1037 104 104 VAL HG2 H 0.665 0.020 1 1038 104 104 VAL C C 172.654 0.3 1 1039 104 104 VAL CA C 59.747 0.3 1 1040 104 104 VAL CB C 37.253 0.3 1 1041 104 104 VAL CG1 C 21.552 0.3 1 1042 104 104 VAL CG2 C 19.530 0.3 1 1043 104 104 VAL N N 120.452 0.3 1 1044 105 105 ALA H H 8.449 0.020 1 1045 105 105 ALA HA H 5.775 0.020 1 1046 105 105 ALA HB H 1.406 0.020 1 1047 105 105 ALA C C 175.160 0.3 1 1048 105 105 ALA CA C 50.385 0.3 1 1049 105 105 ALA CB C 21.274 0.3 1 1050 105 105 ALA N N 129.600 0.3 1 1051 106 106 ILE H H 9.647 0.020 1 1052 106 106 ILE HA H 5.203 0.020 1 1053 106 106 ILE HB H 1.598 0.020 1 1054 106 106 ILE HG12 H 1.540 0.020 1 1055 106 106 ILE HG13 H 1.540 0.020 1 1056 106 106 ILE HG2 H 1.075 0.020 1 1057 106 106 ILE C C 170.964 0.3 1 1058 106 106 ILE CA C 56.888 0.3 1 1059 106 106 ILE CB C 45.431 0.3 1 1060 106 106 ILE CG1 C 27.447 0.3 1 1061 106 106 ILE CG2 C 15.823 0.3 1 1062 106 106 ILE N N 123.274 0.3 1 1063 107 107 PRO HA H 3.975 0.020 1 1064 107 107 PRO HB2 H 2.269 0.020 1 1065 107 107 PRO HB3 H 2.269 0.020 1 1066 107 107 PRO C C 173.439 0.3 1 1067 107 107 PRO CA C 61.565 0.3 1 1068 107 107 PRO CB C 31.910 0.3 1 1069 107 107 PRO CG C 26.629 0.3 1 1070 107 107 PRO CD C 48.652 0.3 1 1071 107 107 PRO N N 138.130 0.3 1 1072 108 108 LEU H H 8.461 0.020 1 1073 108 108 LEU HA H 4.679 0.020 1 1074 108 108 LEU HB2 H 1.823 0.020 1 1075 108 108 LEU HB3 H 1.823 0.020 1 1076 108 108 LEU HG H 1.382 0.020 1 1077 108 108 LEU HD1 H 1.074 0.020 1 1078 108 108 LEU HD2 H 1.074 0.020 1 1079 108 108 LEU C C 178.277 0.3 1 1080 108 108 LEU CA C 54.257 0.3 1 1081 108 108 LEU CB C 41.820 0.3 1 1082 108 108 LEU CG C 27.648 0.3 1 1083 108 108 LEU CD1 C 25.747 0.3 1 1084 108 108 LEU CD2 C 25.544 0.3 1 1085 108 108 LEU N N 113.701 0.3 1 1086 109 109 LEU H H 8.155 0.020 1 1087 109 109 LEU HA H 4.251 0.020 1 1088 109 109 LEU HB2 H 1.486 0.020 1 1089 109 109 LEU HB3 H 1.486 0.020 1 1090 109 109 LEU HG H 1.304 0.020 1 1091 109 109 LEU HD1 H 0.580 0.020 1 1092 109 109 LEU HD2 H 0.580 0.020 1 1093 109 109 LEU C C 177.375 0.3 1 1094 109 109 LEU CA C 54.833 0.3 1 1095 109 109 LEU CB C 42.500 0.3 1 1096 109 109 LEU CG C 25.177 0.3 1 1097 109 109 LEU CD1 C 21.509 0.3 1 1098 109 109 LEU N N 125.582 0.3 1 1099 110 110 SER H H 9.737 0.020 1 1100 110 110 SER HA H 4.048 0.020 1 1101 110 110 SER HB2 H 3.118 0.020 1 1102 110 110 SER HB3 H 3.118 0.020 1 1103 110 110 SER C C 171.283 0.3 1 1104 110 110 SER CA C 62.243 0.3 1 1105 110 110 SER CB C 60.598 0.3 1 1106 110 110 SER N N 111.854 0.3 1 1107 111 111 THR H H 7.099 0.020 1 1108 111 111 THR HA H 5.219 0.020 1 1109 111 111 THR HB H 4.289 0.020 1 1110 111 111 THR HG2 H 1.181 0.020 1 1111 111 111 THR C C 176.356 0.3 1 1112 111 111 THR CA C 60.177 0.3 1 1113 111 111 THR CB C 71.601 0.3 1 1114 111 111 THR CG2 C 21.875 0.3 1 1115 111 111 THR N N 100.594 0.3 1 1116 113 113 ILE HA H 4.158 0.020 1 1117 113 113 ILE HB H 1.831 0.020 1 1118 113 113 ILE HG12 H 1.484 0.020 1 1119 113 113 ILE HG13 H 1.484 0.020 1 1120 113 113 ILE HG2 H 0.894 0.020 1 1121 113 113 ILE HD1 H 0.804 0.020 1 1122 113 113 ILE C C 176.333 0.3 1 1123 113 113 ILE CA C 60.703 0.3 1 1124 113 113 ILE CB C 38.271 0.3 1 1125 113 113 ILE CG1 C 27.102 0.3 1 1126 113 113 ILE CG2 C 17.334 0.3 1 1127 113 113 ILE CD1 C 12.450 0.3 1 1128 114 114 PHE H H 8.183 0.020 1 1129 114 114 PHE HA H 4.677 0.020 1 1130 114 114 PHE HB2 H 2.726 0.020 1 1131 114 114 PHE HB3 H 2.726 0.020 1 1132 114 114 PHE C C 176.203 0.3 1 1133 114 114 PHE CA C 56.833 0.3 1 1134 114 114 PHE CB C 39.567 0.3 1 1135 114 114 PHE N N 114.467 0.3 1 1136 115 115 SER H H 8.198 0.020 1 1137 115 115 SER HA H 4.490 0.020 1 1138 115 115 SER HB2 H 4.169 0.020 1 1139 115 115 SER HB3 H 4.169 0.020 1 1140 115 115 SER C C 177.315 0.3 1 1141 115 115 SER CA C 61.542 0.3 1 1142 115 115 SER CB C 65.364 0.3 1 1143 115 115 SER N N 114.222 0.3 1 1144 116 116 GLY H H 8.297 0.020 1 1145 116 116 GLY HA2 H 3.812 0.020 1 1146 116 116 GLY HA3 H 3.812 0.020 1 1147 116 116 GLY C C 174.647 0.3 1 1148 116 116 GLY CA C 46.220 0.3 1 1149 116 116 GLY N N 111.202 0.3 1 1150 120 120 ARG HA H 4.187 0.020 1 1151 120 120 ARG HB2 H 1.840 0.020 2 1152 120 120 ARG HB3 H 2.004 0.020 2 1153 120 120 ARG HG2 H 1.527 0.020 1 1154 120 120 ARG HG3 H 1.527 0.020 1 1155 120 120 ARG HD2 H 2.752 0.020 1 1156 120 120 ARG HD3 H 2.752 0.020 1 1157 120 120 ARG C C 176.070 0.3 1 1158 120 120 ARG CA C 53.610 0.3 1 1159 120 120 ARG CB C 33.652 0.3 1 1160 120 120 ARG CG C 26.838 0.3 1 1161 120 120 ARG CD C 42.157 0.3 1 1162 121 121 LEU H H 7.946 0.020 1 1163 121 121 LEU HA H 3.954 0.020 1 1164 121 121 LEU HB2 H 1.316 0.020 1 1165 121 121 LEU HB3 H 1.316 0.020 1 1166 121 121 LEU HG H 1.515 0.020 1 1167 121 121 LEU HD1 H 0.759 0.020 1 1168 121 121 LEU HD2 H 0.759 0.020 1 1169 121 121 LEU C C 177.794 0.3 1 1170 121 121 LEU CA C 60.776 0.3 1 1171 121 121 LEU CB C 41.856 0.3 1 1172 121 121 LEU CG C 27.453 0.3 1 1173 121 121 LEU CD1 C 16.192 0.3 1 1174 121 121 LEU CD2 C 17.604 0.3 1 1175 121 121 LEU N N 122.321 0.3 1 1176 122 122 THR H H 8.328 0.020 1 1177 122 122 THR HA H 3.961 0.020 1 1178 122 122 THR HB H 4.061 0.020 1 1179 122 122 THR HG2 H 1.046 0.020 1 1180 122 122 THR C C 175.707 0.3 1 1181 122 122 THR CA C 66.291 0.3 1 1182 122 122 THR CB C 68.540 0.3 1 1183 122 122 THR CG2 C 21.884 0.3 1 1184 122 122 THR N N 112.641 0.3 1 1185 123 123 GLN H H 7.937 0.020 1 1186 123 123 GLN HA H 3.872 0.020 1 1187 123 123 GLN HB2 H 1.804 0.020 1 1188 123 123 GLN HB3 H 1.804 0.020 1 1189 123 123 GLN HG2 H 2.115 0.020 2 1190 123 123 GLN HG3 H 1.995 0.020 2 1191 123 123 GLN C C 177.735 0.3 1 1192 123 123 GLN CA C 58.101 0.3 1 1193 123 123 GLN CB C 28.287 0.3 1 1194 123 123 GLN CG C 32.139 0.3 1 1195 123 123 GLN N N 123.125 0.3 1 1196 124 124 SER H H 8.756 0.020 1 1197 124 124 SER HA H 4.381 0.020 1 1198 124 124 SER HB2 H 4.101 0.020 1 1199 124 124 SER HB3 H 4.101 0.020 1 1200 124 124 SER C C 176.596 0.3 1 1201 124 124 SER CA C 61.737 0.3 1 1202 124 124 SER CB C 64.328 0.3 1 1203 124 124 SER N N 111.165 0.3 1 1204 125 125 LEU H H 8.686 0.020 1 1205 125 125 LEU HA H 3.829 0.020 1 1206 125 125 LEU HB2 H 1.335 0.020 1 1207 125 125 LEU HB3 H 1.335 0.020 1 1208 125 125 LEU HG H 1.383 0.020 1 1209 125 125 LEU HD1 H 0.698 0.020 1 1210 125 125 LEU HD2 H 0.879 0.020 1 1211 125 125 LEU C C 177.610 0.3 1 1212 125 125 LEU CA C 57.521 0.3 1 1213 125 125 LEU CB C 41.525 0.3 1 1214 125 125 LEU CG C 25.568 0.3 1 1215 125 125 LEU CD1 C 22.528 0.3 1 1216 125 125 LEU CD2 C 20.897 0.3 1 1217 125 125 LEU N N 118.181 0.3 1 1218 126 126 ASN H H 8.340 0.020 1 1219 126 126 ASN HA H 4.077 0.020 1 1220 126 126 ASN HB2 H 2.688 0.020 2 1221 126 126 ASN HB3 H 2.514 0.020 2 1222 126 126 ASN C C 178.653 0.3 1 1223 126 126 ASN CA C 56.467 0.3 1 1224 126 126 ASN CB C 37.014 0.3 1 1225 126 126 ASN N N 115.636 0.3 1 1226 127 127 HIS H H 7.086 0.020 1 1227 127 127 HIS HA H 4.232 0.020 1 1228 127 127 HIS HB2 H 3.197 0.020 1 1229 127 127 HIS HB3 H 3.197 0.020 1 1230 127 127 HIS C C 176.616 0.3 1 1231 127 127 HIS CA C 58.554 0.3 1 1232 127 127 HIS CB C 31.769 0.3 1 1233 127 127 HIS N N 117.544 0.3 1 1234 128 128 LEU H H 7.552 0.020 1 1235 128 128 LEU HA H 4.224 0.020 1 1236 128 128 LEU HB2 H 2.737 0.020 1 1237 128 128 LEU HB3 H 2.737 0.020 1 1238 128 128 LEU HG H 1.805 0.020 1 1239 128 128 LEU HD1 H 1.197 0.020 1 1240 128 128 LEU HD2 H 1.197 0.020 1 1241 128 128 LEU C C 178.334 0.3 1 1242 128 128 LEU CA C 59.588 0.3 1 1243 128 128 LEU CB C 41.869 0.3 1 1244 128 128 LEU CG C 29.056 0.3 1 1245 128 128 LEU CD1 C 24.966 0.3 1 1246 128 128 LEU CD2 C 24.677 0.3 1 1247 128 128 LEU N N 126.523 0.3 1 1248 129 129 LEU H H 8.452 0.020 1 1249 129 129 LEU HA H 3.843 0.020 1 1250 129 129 LEU HB2 H 1.571 0.020 1 1251 129 129 LEU HB3 H 1.571 0.020 1 1252 129 129 LEU HG H 0.715 0.020 1 1253 129 129 LEU HD1 H 0.667 0.020 1 1254 129 129 LEU HD2 H 0.667 0.020 1 1255 129 129 LEU C C 178.034 0.3 1 1256 129 129 LEU CA C 56.931 0.3 1 1257 129 129 LEU CB C 41.099 0.3 1 1258 129 129 LEU CG C 25.264 0.3 1 1259 129 129 LEU CD1 C 23.998 0.3 1 1260 129 129 LEU CD2 C 22.666 0.3 1 1261 129 129 LEU N N 118.899 0.3 1 1262 130 130 THR H H 7.667 0.020 1 1263 130 130 THR HA H 3.792 0.020 1 1264 130 130 THR HB H 4.222 0.020 1 1265 130 130 THR HG2 H 1.050 0.020 1 1266 130 130 THR C C 176.177 0.3 1 1267 130 130 THR CA C 66.713 0.3 1 1268 130 130 THR CB C 68.758 0.3 1 1269 130 130 THR CG2 C 22.218 0.3 1 1270 130 130 THR N N 112.628 0.3 1 1271 131 131 ALA H H 7.483 0.020 1 1272 131 131 ALA HA H 4.387 0.020 1 1273 131 131 ALA HB H 1.474 0.020 1 1274 131 131 ALA C C 180.092 0.3 1 1275 131 131 ALA CA C 54.211 0.3 1 1276 131 131 ALA CB C 19.347 0.3 1 1277 131 131 ALA N N 120.069 0.3 1 1278 132 132 LEU H H 9.362 0.020 1 1279 132 132 LEU HA H 4.227 0.020 1 1280 132 132 LEU HB2 H 2.515 0.020 1 1281 132 132 LEU HB3 H 2.515 0.020 1 1282 132 132 LEU HG H 0.955 0.020 1 1283 132 132 LEU HD1 H 0.995 0.020 1 1284 132 132 LEU HD2 H 0.995 0.020 1 1285 132 132 LEU C C 179.093 0.3 1 1286 132 132 LEU CA C 56.119 0.3 1 1287 132 132 LEU CB C 38.069 0.3 1 1288 132 132 LEU CG C 24.713 0.3 1 1289 132 132 LEU CD1 C 22.820 0.3 1 1290 132 132 LEU N N 122.002 0.3 1 1291 133 133 ASP H H 8.336 0.020 1 1292 133 133 ASP HA H 4.833 0.020 1 1293 133 133 ASP HB2 H 2.747 0.020 2 1294 133 133 ASP HB3 H 3.072 0.020 2 1295 133 133 ASP C C 177.195 0.3 1 1296 133 133 ASP CA C 56.330 0.3 1 1297 133 133 ASP CB C 40.596 0.3 1 1298 133 133 ASP N N 120.911 0.3 1 1299 134 134 THR H H 7.602 0.020 1 1300 134 134 THR HA H 4.519 0.020 1 1301 134 134 THR HB H 4.551 0.020 1 1302 134 134 THR HG2 H 1.236 0.020 1 1303 134 134 THR C C 173.702 0.3 1 1304 134 134 THR CA C 62.558 0.3 1 1305 134 134 THR CB C 69.730 0.3 1 1306 134 134 THR CG2 C 20.822 0.3 1 1307 134 134 THR N N 108.034 0.3 1 1308 135 135 THR H H 7.918 0.020 1 1309 135 135 THR HA H 5.238 0.020 1 1310 135 135 THR HB H 4.308 0.020 1 1311 135 135 THR HG2 H 1.170 0.020 1 1312 135 135 THR C C 171.861 0.3 1 1313 135 135 THR CA C 60.304 0.3 1 1314 135 135 THR CB C 71.978 0.3 1 1315 135 135 THR CG2 C 21.800 0.3 1 1316 135 135 THR N N 115.681 0.3 1 1317 136 136 ASP H H 8.197 0.020 1 1318 136 136 ASP HA H 5.312 0.020 1 1319 136 136 ASP HB2 H 2.592 0.020 1 1320 136 136 ASP HB3 H 2.592 0.020 1 1321 136 136 ASP C C 176.576 0.3 1 1322 136 136 ASP CA C 51.542 0.3 1 1323 136 136 ASP CB C 41.511 0.3 1 1324 136 136 ASP N N 116.082 0.3 1 1325 137 137 ALA H H 7.352 0.020 1 1326 137 137 ALA HA H 4.104 0.020 1 1327 137 137 ALA HB H 1.043 0.020 1 1328 137 137 ALA C C 175.352 0.3 1 1329 137 137 ALA CA C 52.177 0.3 1 1330 137 137 ALA CB C 19.313 0.3 1 1331 137 137 ALA N N 121.047 0.3 1 1332 138 138 ASP H H 8.039 0.020 1 1333 138 138 ASP HA H 4.948 0.020 1 1334 138 138 ASP HB2 H 2.671 0.020 1 1335 138 138 ASP HB3 H 2.671 0.020 1 1336 138 138 ASP C C 175.438 0.3 1 1337 138 138 ASP CA C 54.106 0.3 1 1338 138 138 ASP CB C 41.094 0.3 1 1339 138 138 ASP N N 118.276 0.3 1 1340 139 139 VAL H H 8.929 0.020 1 1341 139 139 VAL HA H 4.462 0.020 1 1342 139 139 VAL HB H 2.096 0.020 1 1343 139 139 VAL HG1 H 0.851 0.020 1 1344 139 139 VAL HG2 H 0.851 0.020 1 1345 139 139 VAL C C 173.638 0.3 1 1346 139 139 VAL CA C 61.948 0.3 1 1347 139 139 VAL CB C 32.832 0.3 1 1348 139 139 VAL CG1 C 22.038 0.3 1 1349 139 139 VAL CG2 C 20.812 0.3 1 1350 139 139 VAL N N 128.032 0.3 1 1351 140 140 ALA H H 9.229 0.020 1 1352 140 140 ALA HA H 4.252 0.020 1 1353 140 140 ALA C C 175.184 0.3 1 1354 140 140 ALA CA C 49.468 0.3 1 1355 140 140 ALA CB C 20.453 0.3 1 1356 140 140 ALA N N 131.443 0.3 1 1357 141 141 ILE H H 8.944 0.020 1 1358 141 141 ILE HA H 4.903 0.020 1 1359 141 141 ILE HB H 1.659 0.020 1 1360 141 141 ILE HG12 H 0.763 0.020 1 1361 141 141 ILE HG13 H 0.763 0.020 1 1362 141 141 ILE HG2 H 0.832 0.020 1 1363 141 141 ILE HD1 H 0.668 0.020 1 1364 141 141 ILE C C 175.637 0.3 1 1365 141 141 ILE CA C 60.630 0.3 1 1366 141 141 ILE CB C 39.241 0.3 1 1367 141 141 ILE CG1 C 27.352 0.3 1 1368 141 141 ILE CG2 C 17.345 0.3 1 1369 141 141 ILE CD1 C 14.206 0.3 1 1370 141 141 ILE N N 125.552 0.3 1 1371 142 142 TYR H H 8.890 0.020 1 1372 142 142 TYR HA H 5.452 0.020 1 1373 142 142 TYR HB2 H 2.629 0.020 1 1374 142 142 TYR HB3 H 2.629 0.020 1 1375 142 142 TYR C C 176.436 0.3 1 1376 142 142 TYR CA C 57.686 0.3 1 1377 142 142 TYR CB C 42.316 0.3 1 1378 142 142 TYR N N 128.942 0.3 1 1379 143 143 CYS H H 8.909 0.020 1 1380 143 143 CYS HA H 5.167 0.020 1 1381 143 143 CYS HB2 H 3.029 0.020 1 1382 143 143 CYS HB3 H 3.029 0.020 1 1383 143 143 CYS C C 173.840 0.3 1 1384 143 143 CYS CA C 55.866 0.3 1 1385 143 143 CYS CB C 31.404 0.3 1 1386 143 143 CYS N N 114.489 0.3 1 1387 144 144 ARG H H 8.009 0.020 1 1388 144 144 ARG HA H 4.171 0.020 1 1389 144 144 ARG HB2 H 1.878 0.020 1 1390 144 144 ARG HB3 H 1.878 0.020 1 1391 144 144 ARG HG2 H 1.606 0.020 1 1392 144 144 ARG HG3 H 1.606 0.020 1 1393 144 144 ARG HD2 H 3.013 0.020 1 1394 144 144 ARG HD3 H 3.013 0.020 1 1395 144 144 ARG C C 179.073 0.3 1 1396 144 144 ARG CA C 57.352 0.3 1 1397 144 144 ARG CB C 30.479 0.3 1 1398 144 144 ARG CG C 26.912 0.3 1 1399 144 144 ARG CD C 43.222 0.3 1 1400 144 144 ARG N N 125.081 0.3 1 1401 145 145 ASP HA H 4.470 0.020 1 1402 145 145 ASP HB2 H 2.991 0.020 2 1403 145 145 ASP HB3 H 2.915 0.020 2 1404 145 145 ASP C C 173.640 0.3 1 1405 145 145 ASP CA C 53.663 0.3 1 1406 145 145 ASP CB C 37.485 0.3 1 1407 146 146 LYS H H 7.001 0.020 1 1408 146 146 LYS HA H 4.543 0.020 1 1409 146 146 LYS HB2 H 1.647 0.020 2 1410 146 146 LYS HB3 H 1.392 0.020 2 1411 146 146 LYS HG2 H 1.311 0.020 1 1412 146 146 LYS HG3 H 1.311 0.020 1 1413 146 146 LYS HD2 H 1.585 0.020 1 1414 146 146 LYS HD3 H 1.585 0.020 1 1415 146 146 LYS HE2 H 2.936 0.020 1 1416 146 146 LYS HE3 H 2.936 0.020 1 1417 146 146 LYS C C 174.639 0.3 1 1418 146 146 LYS CA C 54.685 0.3 1 1419 146 146 LYS CB C 35.800 0.3 1 1420 146 146 LYS CG C 24.666 0.3 1 1421 146 146 LYS CD C 28.885 0.3 1 1422 146 146 LYS CE C 42.175 0.3 1 1423 146 146 LYS N N 116.666 0.3 1 1424 147 147 LYS HA H 4.080 0.020 1 1425 147 147 LYS HB2 H 1.947 0.020 1 1426 147 147 LYS HB3 H 1.947 0.020 1 1427 147 147 LYS HG2 H 1.431 0.020 1 1428 147 147 LYS HG3 H 1.431 0.020 1 1429 147 147 LYS HD2 H 1.750 0.020 1 1430 147 147 LYS HD3 H 1.750 0.020 1 1431 147 147 LYS HE2 H 2.916 0.020 1 1432 147 147 LYS HE3 H 2.916 0.020 1 1433 147 147 LYS C C 177.954 0.3 1 1434 147 147 LYS CA C 59.519 0.3 1 1435 147 147 LYS CB C 32.650 0.3 1 1436 147 147 LYS CG C 24.823 0.3 1 1437 147 147 LYS CD C 29.077 0.3 1 1438 147 147 LYS CE C 42.064 0.3 1 1439 148 148 TRP H H 8.666 0.020 1 1440 148 148 TRP HA H 4.249 0.020 1 1441 148 148 TRP HB2 H 2.023 0.020 1 1442 148 148 TRP HB3 H 2.023 0.020 1 1443 148 148 TRP C C 179.812 0.3 1 1444 148 148 TRP CA C 59.524 0.3 1 1445 148 148 TRP CB C 31.433 0.3 1 1446 148 148 TRP N N 120.475 0.3 1 1447 149 149 GLU H H 8.354 0.020 1 1448 149 149 GLU HA H 4.438 0.020 1 1449 149 149 GLU HB2 H 2.067 0.020 1 1450 149 149 GLU HB3 H 2.067 0.020 1 1451 149 149 GLU HG2 H 1.834 0.020 1 1452 149 149 GLU HG3 H 1.834 0.020 1 1453 149 149 GLU C C 177.575 0.3 1 1454 149 149 GLU CA C 59.866 0.3 1 1455 149 149 GLU CB C 28.801 0.3 1 1456 149 149 GLU CG C 33.944 0.3 1 1457 149 149 GLU N N 120.023 0.3 1 1458 150 150 MET H H 7.850 0.020 1 1459 150 150 MET HA H 4.218 0.020 1 1460 150 150 MET HB2 H 2.235 0.020 1 1461 150 150 MET HB3 H 2.235 0.020 1 1462 150 150 MET HG2 H 2.707 0.020 1 1463 150 150 MET HG3 H 2.707 0.020 1 1464 150 150 MET C C 178.853 0.3 1 1465 150 150 MET CA C 58.403 0.3 1 1466 150 150 MET CB C 31.886 0.3 1 1467 150 150 MET N N 115.904 0.3 1 1468 151 151 THR H H 7.993 0.020 1 1469 151 151 THR HA H 3.944 0.020 1 1470 151 151 THR HB H 4.103 0.020 1 1471 151 151 THR HG2 H 1.041 0.020 1 1472 151 151 THR C C 176.996 0.3 1 1473 151 151 THR CA C 66.702 0.3 1 1474 151 151 THR CB C 68.809 0.3 1 1475 151 151 THR CG2 C 22.361 0.3 1 1476 151 151 THR N N 118.021 0.3 1 1477 152 152 LEU H H 8.991 0.020 1 1478 152 152 LEU HA H 3.873 0.020 1 1479 152 152 LEU HB2 H 2.123 0.020 1 1480 152 152 LEU HB3 H 2.123 0.020 1 1481 152 152 LEU HG H 1.860 0.020 1 1482 152 152 LEU HD1 H 0.855 0.020 1 1483 152 152 LEU HD2 H 0.855 0.020 1 1484 152 152 LEU C C 177.994 0.3 1 1485 152 152 LEU CA C 58.259 0.3 1 1486 152 152 LEU CB C 43.163 0.3 1 1487 152 152 LEU CG C 27.965 0.3 1 1488 152 152 LEU CD1 C 25.680 0.3 1 1489 152 152 LEU CD2 C 25.321 0.3 1 1490 152 152 LEU N N 122.106 0.3 1 1491 153 153 LYS H H 8.576 0.020 1 1492 153 153 LYS HA H 3.777 0.020 1 1493 153 153 LYS HB2 H 1.932 0.020 1 1494 153 153 LYS HB3 H 1.932 0.020 1 1495 153 153 LYS HG2 H 1.770 0.020 1 1496 153 153 LYS HG3 H 1.770 0.020 1 1497 153 153 LYS HD2 H 1.719 0.020 1 1498 153 153 LYS HD3 H 1.719 0.020 1 1499 153 153 LYS HE2 H 3.080 0.020 1 1500 153 153 LYS HE3 H 3.080 0.020 1 1501 153 153 LYS C C 179.708 0.3 1 1502 153 153 LYS CA C 60.926 0.3 1 1503 153 153 LYS CB C 32.401 0.3 1 1504 153 153 LYS CG C 27.071 0.3 1 1505 153 153 LYS CD C 29.702 0.3 1 1506 153 153 LYS CE C 41.902 0.3 1 1507 153 153 LYS N N 118.019 0.3 1 1508 154 154 GLU H H 7.731 0.020 1 1509 154 154 GLU HA H 4.112 0.020 1 1510 154 154 GLU HB2 H 2.044 0.020 1 1511 154 154 GLU HB3 H 2.044 0.020 1 1512 154 154 GLU HG2 H 2.430 0.020 1 1513 154 154 GLU HG3 H 2.430 0.020 1 1514 154 154 GLU C C 177.914 0.3 1 1515 154 154 GLU CA C 59.144 0.3 1 1516 154 154 GLU CB C 29.420 0.3 1 1517 154 154 GLU CG C 36.377 0.3 1 1518 154 154 GLU N N 118.830 0.3 1 1519 155 155 ALA H H 7.852 0.020 1 1520 155 155 ALA HA H 4.007 0.020 1 1521 155 155 ALA HB H 1.332 0.020 1 1522 155 155 ALA C C 181.037 0.3 1 1523 155 155 ALA CA C 54.980 0.3 1 1524 155 155 ALA CB C 18.367 0.3 1 1525 155 155 ALA N N 121.281 0.3 1 1526 156 156 VAL H H 8.315 0.020 1 1527 156 156 VAL HA H 3.936 0.020 1 1528 156 156 VAL HB H 2.058 0.020 1 1529 156 156 VAL HG1 H 1.000 0.020 1 1530 156 156 VAL HG2 H 0.832 0.020 1 1531 156 156 VAL C C 177.655 0.3 1 1532 156 156 VAL CA C 65.865 0.3 1 1533 156 156 VAL CB C 31.713 0.3 1 1534 156 156 VAL CG1 C 20.629 0.3 1 1535 156 156 VAL CG2 C 22.080 0.3 1 1536 156 156 VAL N N 115.850 0.3 1 1537 157 157 ALA H H 7.757 0.020 1 1538 157 157 ALA HA H 4.224 0.020 1 1539 157 157 ALA HB H 1.523 0.020 1 1540 157 157 ALA C C 179.852 0.3 1 1541 157 157 ALA CA C 54.664 0.3 1 1542 157 157 ALA CB C 18.127 0.3 1 1543 157 157 ALA N N 122.035 0.3 1 1544 158 158 ARG H H 7.728 0.020 1 1545 158 158 ARG HA H 4.212 0.020 1 1546 158 158 ARG HB2 H 1.876 0.020 1 1547 158 158 ARG HB3 H 1.876 0.020 1 1548 158 158 ARG HG2 H 1.633 0.020 1 1549 158 158 ARG HG3 H 1.633 0.020 1 1550 158 158 ARG HD2 H 3.167 0.020 1 1551 158 158 ARG HD3 H 3.167 0.020 1 1552 158 158 ARG C C 177.097 0.3 1 1553 158 158 ARG CA C 57.373 0.3 1 1554 158 158 ARG CB C 30.173 0.3 1 1555 158 158 ARG CG C 27.262 0.3 1 1556 158 158 ARG CD C 43.413 0.3 1 1557 158 158 ARG N N 115.935 0.3 1 1558 159 159 ARG H H 7.352 0.020 1 1559 159 159 ARG HA H 4.185 0.020 1 1560 159 159 ARG HB2 H 1.850 0.020 1 1561 159 159 ARG HB3 H 1.850 0.020 1 1562 159 159 ARG HG2 H 1.619 0.020 1 1563 159 159 ARG HG3 H 1.619 0.020 1 1564 159 159 ARG HD2 H 3.025 0.020 1 1565 159 159 ARG HD3 H 3.025 0.020 1 1566 159 159 ARG C C 176.841 0.3 1 1567 159 159 ARG CA C 56.994 0.3 1 1568 159 159 ARG CB C 30.182 0.3 1 1569 159 159 ARG CG C 27.024 0.3 1 1570 159 159 ARG CD C 43.247 0.3 1 1571 159 159 ARG N N 118.807 0.3 1 1572 160 160 GLU H H 8.094 0.020 1 1573 160 160 GLU HA H 4.215 0.020 1 1574 160 160 GLU HB2 H 1.971 0.020 1 1575 160 160 GLU HB3 H 1.971 0.020 1 1576 160 160 GLU HG2 H 2.217 0.020 1 1577 160 160 GLU HG3 H 2.217 0.020 1 1578 160 160 GLU C C 176.705 0.3 1 1579 160 160 GLU CA C 57.036 0.3 1 1580 160 160 GLU CB C 30.213 0.3 1 1581 160 160 GLU CG C 36.224 0.3 1 1582 160 160 GLU N N 120.281 0.3 1 stop_ save_