data_30087 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of a thermophilic lysine methyl transferase from Sulfolobus islandicus ; _BMRB_accession_number 30087 _BMRB_flat_file_name bmr30087.str _Entry_type original _Submission_date 2016-05-12 _Accession_date 2016-05-12 _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 'de Lichtenberg' C. . . 2 Stiefler-Jensen D. . . 3 Schwarz-Linnet T. . . 4 She Q. . . 5 Teilum K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 803 "13C chemical shifts" 631 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-05-19 original BMRB . stop_ _Original_release_date 2016-05-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR solution structure of a thermophilic lysine methyl transferase from Sulfolobus islandicus ; _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 'de Lichtenberg' C. . . 2 Stiefler-Jensen D. . . 3 Schwarz-Linnet T. . . 4 She Q. . . 5 Teilum K. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein-lysine N-methyltransferase (E.C.2.1.1.-)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Protein-lysine N-methyltransferase' _Molecular_mass 19420.371 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; MSYVPHVPYVPTPEKVVRRM LEIAKVSQDDIVYALGCGDG RIIITAAKDFNVKKAVGVEI NDERIREALANIEKNGVTGR ASIVKGNFFEVDISEATVVT MFLLTNVNEMLKPKLEKELK PGTRVVSHEFEIRGWNPKEV IKVEDGNMNHTVYLYVIGEH KAAALEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 TYR 4 4 VAL 5 5 PRO 6 6 HIS 7 7 VAL 8 8 PRO 9 9 TYR 10 10 VAL 11 11 PRO 12 12 THR 13 13 PRO 14 14 GLU 15 15 LYS 16 16 VAL 17 17 VAL 18 18 ARG 19 19 ARG 20 20 MET 21 21 LEU 22 22 GLU 23 23 ILE 24 24 ALA 25 25 LYS 26 26 VAL 27 27 SER 28 28 GLN 29 29 ASP 30 30 ASP 31 31 ILE 32 32 VAL 33 33 TYR 34 34 ALA 35 35 LEU 36 36 GLY 37 37 CYS 38 38 GLY 39 39 ASP 40 40 GLY 41 41 ARG 42 42 ILE 43 43 ILE 44 44 ILE 45 45 THR 46 46 ALA 47 47 ALA 48 48 LYS 49 49 ASP 50 50 PHE 51 51 ASN 52 52 VAL 53 53 LYS 54 54 LYS 55 55 ALA 56 56 VAL 57 57 GLY 58 58 VAL 59 59 GLU 60 60 ILE 61 61 ASN 62 62 ASP 63 63 GLU 64 64 ARG 65 65 ILE 66 66 ARG 67 67 GLU 68 68 ALA 69 69 LEU 70 70 ALA 71 71 ASN 72 72 ILE 73 73 GLU 74 74 LYS 75 75 ASN 76 76 GLY 77 77 VAL 78 78 THR 79 79 GLY 80 80 ARG 81 81 ALA 82 82 SER 83 83 ILE 84 84 VAL 85 85 LYS 86 86 GLY 87 87 ASN 88 88 PHE 89 89 PHE 90 90 GLU 91 91 VAL 92 92 ASP 93 93 ILE 94 94 SER 95 95 GLU 96 96 ALA 97 97 THR 98 98 VAL 99 99 VAL 100 100 THR 101 101 MET 102 102 PHE 103 103 LEU 104 104 LEU 105 105 THR 106 106 ASN 107 107 VAL 108 108 ASN 109 109 GLU 110 110 MET 111 111 LEU 112 112 LYS 113 113 PRO 114 114 LYS 115 115 LEU 116 116 GLU 117 117 LYS 118 118 GLU 119 119 LEU 120 120 LYS 121 121 PRO 122 122 GLY 123 123 THR 124 124 ARG 125 125 VAL 126 126 VAL 127 127 SER 128 128 HIS 129 129 GLU 130 130 PHE 131 131 GLU 132 132 ILE 133 133 ARG 134 134 GLY 135 135 TRP 136 136 ASN 137 137 PRO 138 138 LYS 139 139 GLU 140 140 VAL 141 141 ILE 142 142 LYS 143 143 VAL 144 144 GLU 145 145 ASP 146 146 GLY 147 147 ASN 148 148 MET 149 149 ASN 150 150 HIS 151 151 THR 152 152 VAL 153 153 TYR 154 154 LEU 155 155 TYR 156 156 VAL 157 157 ILE 158 158 GLY 159 159 GLU 160 160 HIS 161 161 LYS 162 162 ALA 163 163 ALA 164 164 ALA 165 165 LEU 166 166 GLU 167 167 HIS 168 168 HIS 169 169 HIS 170 170 HIS 171 171 HIS 172 172 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 crenarchaeotes 930945 Archaea . sulfolobus 'sulfolobus islandicus' REY15A SiRe_1449 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . Rosetta2 Plasmid pET30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] aKMT_D34A, 20 mM Na-acetate, 0.5 mM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DSS 0.5 mM 'natural abundance' Na-acetate 20 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] aKMT_D34A, 20 mM Na-acetate, 0.5 mM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DSS 0.5 mM 'natural abundance' Na-acetate 20 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] aKMT_D34A, 20 mM Na-acetate, 0.5 mM DSS, 0.123 M C12E5, 0.111 M hexanol, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling C12E5 0.123 M 'natural abundance' DSS 0.5 mM 'natural abundance' Na-acetate 20 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' hexanol 0.111 M 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_IPAP_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_IPAP_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 5 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HCCH-TOCSY aromatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 5 5 PRO C C 176.257 . 1 2 5 5 PRO CA C 62.849 . 1 3 5 5 PRO CB C 32.189 . 1 4 6 6 HIS H H 8.371 . 1 5 6 6 HIS HA H 4.745 . 1 6 6 6 HIS HB2 H 3.225 . 2 7 6 6 HIS HB3 H 3.199 . 2 8 6 6 HIS C C 174.313 . 1 9 6 6 HIS CA C 55.410 . 1 10 6 6 HIS CB C 29.573 . 1 11 6 6 HIS N N 119.269 . 1 12 7 7 VAL H H 8.174 . 1 13 7 7 VAL HA H 4.480 . 1 14 7 7 VAL HB H 2.136 . 1 15 7 7 VAL HG1 H 1.030 . 2 16 7 7 VAL HG2 H 0.967 . 2 17 7 7 VAL C C 174.226 . 1 18 7 7 VAL CA C 59.621 . 1 19 7 7 VAL CB C 32.908 . 1 20 7 7 VAL CG1 C 21.412 . 2 21 7 7 VAL CG2 C 20.424 . 2 22 7 7 VAL N N 123.223 . 1 23 8 8 PRO HA H 4.454 . 1 24 8 8 PRO HB2 H 1.912 . 2 25 8 8 PRO HB3 H 2.313 . 2 26 8 8 PRO HG2 H 2.074 . 2 27 8 8 PRO HG3 H 2.018 . 2 28 8 8 PRO HD2 H 3.733 . 2 29 8 8 PRO HD3 H 3.846 . 2 30 8 8 PRO C C 176.144 . 1 31 8 8 PRO CA C 63.149 . 1 32 8 8 PRO CB C 32.109 . 1 33 8 8 PRO CG C 27.563 . 1 34 8 8 PRO CD C 51.150 . 1 35 8 8 PRO N N 109.982 . 1 36 9 9 TYR H H 8.208 . 1 37 9 9 TYR HA H 4.635 . 1 38 9 9 TYR HB2 H 2.820 . 2 39 9 9 TYR HB3 H 3.101 . 2 40 9 9 TYR HD1 H 6.800 . 1 41 9 9 TYR HD2 H 6.800 . 1 42 9 9 TYR HE1 H 7.098 . 1 43 9 9 TYR HE2 H 7.098 . 1 44 9 9 TYR C C 174.605 . 1 45 9 9 TYR CA C 57.891 . 1 46 9 9 TYR CB C 39.274 . 1 47 9 9 TYR CD1 C 133.231 . 1 48 9 9 TYR CD2 C 133.231 . 1 49 9 9 TYR CE1 C 118.054 . 1 50 9 9 TYR CE2 C 118.054 . 1 51 9 9 TYR N N 121.637 . 1 52 10 10 VAL H H 7.733 . 1 53 10 10 VAL HA H 4.266 . 1 54 10 10 VAL HB H 1.950 . 1 55 10 10 VAL HG1 H 0.924 . 2 56 10 10 VAL HG2 H 0.906 . 2 57 10 10 VAL C C 173.078 . 1 58 10 10 VAL CA C 58.945 . 1 59 10 10 VAL CB C 33.662 . 1 60 10 10 VAL CG1 C 20.503 . 2 61 10 10 VAL CG2 C 20.500 . 2 62 10 10 VAL N N 128.317 . 1 63 11 11 PRO HA H 4.241 . 1 64 11 11 PRO HB2 H 2.286 . 2 65 11 11 PRO HB3 H 1.883 . 2 66 11 11 PRO HG2 H 2.006 . 2 67 11 11 PRO HG3 H 1.969 . 2 68 11 11 PRO HD2 H 3.612 . 2 69 11 11 PRO HD3 H 3.634 . 2 70 11 11 PRO C C 176.632 . 1 71 11 11 PRO CA C 62.695 . 1 72 11 11 PRO CB C 32.176 . 1 73 11 11 PRO CG C 27.249 . 1 74 11 11 PRO CD C 50.865 . 1 75 11 11 PRO N N 133.622 . 1 76 12 12 THR H H 8.175 . 1 77 12 12 THR HA H 4.264 . 1 78 12 12 THR HB H 3.518 . 1 79 12 12 THR HG2 H 0.783 . 1 80 12 12 THR C C 172.808 . 1 81 12 12 THR CA C 60.548 . 1 82 12 12 THR CB C 69.167 . 1 83 12 12 THR N N 119.360 . 1 84 13 13 PRO C C 177.414 . 1 85 13 13 PRO CA C 62.909 . 1 86 13 13 PRO CB C 32.706 . 1 87 14 14 GLU H H 8.974 . 1 88 14 14 GLU HA H 4.606 . 1 89 14 14 GLU HB2 H 2.020 . 1 90 14 14 GLU HB3 H 2.020 . 1 91 14 14 GLU C C 177.995 . 1 92 14 14 GLU CA C 60.220 . 1 93 14 14 GLU CB C 29.536 . 1 94 14 14 GLU N N 125.570 . 1 95 15 15 LYS H H 8.949 . 1 96 15 15 LYS HA H 3.958 . 1 97 15 15 LYS HB2 H 1.866 . 2 98 15 15 LYS HB3 H 1.600 . 2 99 15 15 LYS HG2 H 1.299 . 2 100 15 15 LYS HG3 H 1.472 . 2 101 15 15 LYS C C 178.871 . 1 102 15 15 LYS CA C 59.664 . 1 103 15 15 LYS CB C 32.776 . 1 104 15 15 LYS CG C 25.229 . 1 105 15 15 LYS N N 117.439 . 1 106 16 16 VAL H H 6.850 . 1 107 16 16 VAL HA H 3.352 . 1 108 16 16 VAL HB H 1.832 . 1 109 16 16 VAL HG1 H 0.592 . 2 110 16 16 VAL HG2 H 0.246 . 2 111 16 16 VAL C C 176.931 . 1 112 16 16 VAL CA C 65.854 . 1 113 16 16 VAL CB C 31.303 . 1 114 16 16 VAL CG1 C 21.231 . 2 115 16 16 VAL CG2 C 21.457 . 2 116 16 16 VAL N N 115.915 . 1 117 17 17 VAL H H 7.579 . 1 118 17 17 VAL HA H 3.679 . 1 119 17 17 VAL HB H 2.161 . 1 120 17 17 VAL HG1 H 0.866 . 2 121 17 17 VAL HG2 H 0.846 . 2 122 17 17 VAL C C 177.191 . 1 123 17 17 VAL CA C 66.370 . 1 124 17 17 VAL CB C 31.089 . 1 125 17 17 VAL CG1 C 22.313 . 2 126 17 17 VAL CG2 C 22.334 . 2 127 17 17 VAL N N 117.089 . 1 128 18 18 ARG H H 8.189 . 1 129 18 18 ARG HA H 3.872 . 1 130 18 18 ARG HB2 H 1.925 . 1 131 18 18 ARG HB3 H 1.925 . 1 132 18 18 ARG HG2 H 1.750 . 2 133 18 18 ARG HG3 H 1.713 . 2 134 18 18 ARG HD2 H 3.238 . 1 135 18 18 ARG HD3 H 3.238 . 1 136 18 18 ARG C C 178.408 . 1 137 18 18 ARG CA C 60.485 . 1 138 18 18 ARG CB C 29.928 . 1 139 18 18 ARG CG C 28.611 . 1 140 18 18 ARG CD C 43.157 . 1 141 18 18 ARG N N 117.550 . 1 142 19 19 ARG H H 7.630 . 1 143 19 19 ARG HA H 4.173 . 1 144 19 19 ARG HB2 H 1.992 . 1 145 19 19 ARG HB3 H 1.992 . 1 146 19 19 ARG HG2 H 1.757 . 1 147 19 19 ARG HG3 H 1.757 . 1 148 19 19 ARG HD2 H 3.471 . 2 149 19 19 ARG HD3 H 3.245 . 2 150 19 19 ARG C C 178.505 . 1 151 19 19 ARG CA C 57.657 . 1 152 19 19 ARG CB C 28.740 . 1 153 19 19 ARG CG C 28.625 . 1 154 19 19 ARG CD C 41.602 . 1 155 19 19 ARG N N 116.813 . 1 156 20 20 MET H H 8.222 . 1 157 20 20 MET HA H 3.679 . 1 158 20 20 MET HB2 H 2.311 . 2 159 20 20 MET HB3 H 1.888 . 2 160 20 20 MET HG2 H 2.900 . 1 161 20 20 MET HG3 H 2.900 . 1 162 20 20 MET C C 176.212 . 1 163 20 20 MET CA C 60.483 . 1 164 20 20 MET CB C 33.543 . 1 165 20 20 MET CG C 32.983 . 1 166 20 20 MET N N 117.009 . 1 167 21 21 LEU H H 7.030 . 1 168 21 21 LEU HA H 3.801 . 1 169 21 21 LEU HB2 H 1.482 . 2 170 21 21 LEU HB3 H 0.199 . 2 171 21 21 LEU HG H 1.800 . 1 172 21 21 LEU HD1 H 0.619 . 2 173 21 21 LEU HD2 H 0.529 . 2 174 21 21 LEU C C 178.575 . 1 175 21 21 LEU CA C 56.709 . 1 176 21 21 LEU CB C 40.356 . 1 177 21 21 LEU CG C 26.244 . 1 178 21 21 LEU CD1 C 27.175 . 2 179 21 21 LEU CD2 C 22.379 . 2 180 21 21 LEU N N 115.174 . 1 181 22 22 GLU H H 8.298 . 1 182 22 22 GLU HA H 4.141 . 1 183 22 22 GLU HB2 H 2.305 . 2 184 22 22 GLU HB3 H 2.060 . 2 185 22 22 GLU HG2 H 2.779 . 2 186 22 22 GLU HG3 H 2.414 . 2 187 22 22 GLU C C 182.338 . 1 188 22 22 GLU CA C 59.397 . 1 189 22 22 GLU CB C 30.391 . 1 190 22 22 GLU CG C 36.795 . 1 191 22 22 GLU N N 118.995 . 1 192 23 23 ILE H H 8.777 . 1 193 23 23 ILE HA H 4.026 . 1 194 23 23 ILE HB H 1.900 . 1 195 23 23 ILE HG12 H 1.546 . 2 196 23 23 ILE HG13 H 1.289 . 2 197 23 23 ILE HG2 H 0.932 . 1 198 23 23 ILE HD1 H 0.677 . 1 199 23 23 ILE C C 176.425 . 1 200 23 23 ILE CA C 63.791 . 1 201 23 23 ILE CB C 38.012 . 1 202 23 23 ILE CG1 C 28.199 . 1 203 23 23 ILE CG2 C 18.295 . 1 204 23 23 ILE CD1 C 15.021 . 1 205 23 23 ILE N N 120.392 . 1 206 24 24 ALA H H 6.855 . 1 207 24 24 ALA HA H 4.138 . 1 208 24 24 ALA HB H 1.303 . 1 209 24 24 ALA C C 175.158 . 1 210 24 24 ALA CA C 51.779 . 1 211 24 24 ALA CB C 18.970 . 1 212 24 24 ALA N N 119.263 . 1 213 25 25 LYS H H 8.069 . 1 214 25 25 LYS HA H 3.941 . 1 215 25 25 LYS HB2 H 1.994 . 2 216 25 25 LYS HB3 H 1.885 . 2 217 25 25 LYS HG2 H 1.412 . 2 218 25 25 LYS HG3 H 1.384 . 2 219 25 25 LYS HD2 H 1.746 . 2 220 25 25 LYS HD3 H 1.712 . 2 221 25 25 LYS C C 175.834 . 1 222 25 25 LYS CA C 56.520 . 1 223 25 25 LYS CB C 28.994 . 1 224 25 25 LYS CG C 24.965 . 1 225 25 25 LYS CD C 29.036 . 1 226 25 25 LYS N N 117.815 . 1 227 26 26 VAL H H 7.129 . 1 228 26 26 VAL HA H 3.800 . 1 229 26 26 VAL HB H 1.493 . 1 230 26 26 VAL HG1 H 0.864 . 2 231 26 26 VAL HG2 H 0.716 . 2 232 26 26 VAL C C 175.164 . 1 233 26 26 VAL CA C 63.959 . 1 234 26 26 VAL CB C 31.307 . 1 235 26 26 VAL CG1 C 24.637 . 2 236 26 26 VAL CG2 C 23.935 . 2 237 26 26 VAL N N 116.891 . 1 238 27 27 SER H H 9.782 . 1 239 27 27 SER HA H 5.074 . 1 240 27 27 SER HB2 H 4.184 . 2 241 27 27 SER HB3 H 3.939 . 2 242 27 27 SER C C 174.938 . 1 243 27 27 SER CA C 56.677 . 1 244 27 27 SER CB C 67.029 . 1 245 27 27 SER N N 123.907 . 1 246 28 28 GLN H H 8.381 . 1 247 28 28 GLN HA H 4.469 . 1 248 28 28 GLN HB2 H 2.269 . 2 249 28 28 GLN HB3 H 2.192 . 2 250 28 28 GLN HG2 H 2.489 . 1 251 28 28 GLN HG3 H 2.489 . 1 252 28 28 GLN C C 175.846 . 1 253 28 28 GLN CA C 57.946 . 1 254 28 28 GLN CB C 28.552 . 1 255 28 28 GLN CG C 33.180 . 1 256 28 28 GLN N N 116.966 . 1 257 29 29 ASP H H 7.901 . 1 258 29 29 ASP HA H 4.811 . 1 259 29 29 ASP HB2 H 2.862 . 2 260 29 29 ASP HB3 H 2.451 . 2 261 29 29 ASP C C 176.056 . 1 262 29 29 ASP CA C 54.652 . 1 263 29 29 ASP CB C 41.824 . 1 264 29 29 ASP N N 116.672 . 1 265 30 30 ASP H H 7.761 . 1 266 30 30 ASP HA H 4.804 . 1 267 30 30 ASP HB2 H 2.991 . 2 268 30 30 ASP HB3 H 2.302 . 2 269 30 30 ASP C C 174.210 . 1 270 30 30 ASP CA C 56.244 . 1 271 30 30 ASP CB C 43.414 . 1 272 30 30 ASP N N 117.643 . 1 273 31 31 ILE H H 8.535 . 1 274 31 31 ILE HA H 4.875 . 1 275 31 31 ILE HB H 2.153 . 1 276 31 31 ILE HG12 H 1.791 . 2 277 31 31 ILE HG13 H 1.107 . 2 278 31 31 ILE HG2 H 1.034 . 1 279 31 31 ILE HD1 H 0.939 . 1 280 31 31 ILE C C 176.235 . 1 281 31 31 ILE CA C 61.033 . 1 282 31 31 ILE CB C 39.835 . 1 283 31 31 ILE CG1 C 28.211 . 1 284 31 31 ILE CG2 C 13.694 . 1 285 31 31 ILE CD1 C 18.063 . 1 286 31 31 ILE N N 118.307 . 1 287 32 32 VAL H H 8.434 . 1 288 32 32 VAL HA H 5.093 . 1 289 32 32 VAL HB H 1.845 . 1 290 32 32 VAL HG1 H 0.880 . 2 291 32 32 VAL HG2 H 0.701 . 2 292 32 32 VAL C C 174.564 . 1 293 32 32 VAL CA C 60.853 . 1 294 32 32 VAL CB C 34.498 . 1 295 32 32 VAL CG1 C 22.909 . 2 296 32 32 VAL CG2 C 20.097 . 2 297 32 32 VAL N N 127.011 . 1 298 33 33 TYR H H 9.401 . 1 299 33 33 TYR HA H 5.809 . 1 300 33 33 TYR HB2 H 3.132 . 2 301 33 33 TYR HB3 H 2.489 . 2 302 33 33 TYR HD1 H 6.831 . 1 303 33 33 TYR HD2 H 6.831 . 1 304 33 33 TYR HE1 H 6.596 . 1 305 33 33 TYR HE2 H 6.596 . 1 306 33 33 TYR C C 175.459 . 1 307 33 33 TYR CA C 56.487 . 1 308 33 33 TYR CB C 42.103 . 1 309 33 33 TYR CD1 C 131.307 . 1 310 33 33 TYR CD2 C 131.307 . 1 311 33 33 TYR CE1 C 117.880 . 1 312 33 33 TYR CE2 C 117.880 . 1 313 33 33 TYR N N 128.902 . 1 314 34 34 ALA H H 9.200 . 1 315 34 34 ALA HA H 5.476 . 1 316 34 34 ALA HB H 1.148 . 1 317 34 34 ALA C C 175.686 . 1 318 34 34 ALA CA C 49.958 . 1 319 34 34 ALA CB C 22.529 . 1 320 34 34 ALA N N 124.538 . 1 321 35 35 LEU H H 8.961 . 1 322 35 35 LEU HA H 4.509 . 1 323 35 35 LEU HB2 H 1.784 . 2 324 35 35 LEU HB3 H 0.868 . 2 325 35 35 LEU HG H 1.689 . 1 326 35 35 LEU HD1 H 0.741 . 1 327 35 35 LEU HD2 H 0.741 . 1 328 35 35 LEU C C 175.200 . 1 329 35 35 LEU CA C 54.776 . 1 330 35 35 LEU CB C 40.406 . 1 331 35 35 LEU CG C 27.185 . 1 332 35 35 LEU CD1 C 25.174 . 1 333 35 35 LEU CD2 C 25.174 . 1 334 35 35 LEU N N 124.519 . 1 335 36 36 GLY H H 8.525 . 1 336 36 36 GLY HA2 H 4.404 . 2 337 36 36 GLY HA3 H 4.180 . 2 338 36 36 GLY C C 174.889 . 1 339 36 36 GLY CA C 46.683 . 1 340 36 36 GLY N N 115.744 . 1 341 37 37 CYS H H 7.886 . 1 342 37 37 CYS HA H 4.150 . 1 343 37 37 CYS HB2 H 2.543 . 2 344 37 37 CYS HB3 H 3.036 . 2 345 37 37 CYS C C 175.206 . 1 346 37 37 CYS CA C 58.449 . 1 347 37 37 CYS CB C 29.141 . 1 348 37 37 CYS N N 114.251 . 1 349 38 38 GLY H H 9.825 . 1 350 38 38 GLY HA2 H 3.860 . 2 351 38 38 GLY HA3 H 3.363 . 2 352 38 38 GLY C C 172.760 . 1 353 38 38 GLY CA C 47.817 . 1 354 38 38 GLY N N 119.207 . 1 355 39 39 ASP H H 7.888 . 1 356 39 39 ASP HA H 4.312 . 1 357 39 39 ASP HB2 H 2.693 . 2 358 39 39 ASP HB3 H 2.906 . 2 359 39 39 ASP C C 177.096 . 1 360 39 39 ASP CA C 53.999 . 1 361 39 39 ASP CB C 40.592 . 1 362 39 39 ASP N N 122.893 . 1 363 40 40 GLY H H 8.339 . 1 364 40 40 GLY HA2 H 4.096 . 2 365 40 40 GLY HA3 H 3.238 . 2 366 40 40 GLY C C 174.811 . 1 367 40 40 GLY CA C 45.071 . 1 368 40 40 GLY N N 104.656 . 1 369 41 41 ARG H H 8.212 . 1 370 41 41 ARG HA H 3.860 . 1 371 41 41 ARG HB2 H 1.819 . 1 372 41 41 ARG HB3 H 1.819 . 1 373 41 41 ARG C C 178.702 . 1 374 41 41 ARG CA C 60.339 . 1 375 41 41 ARG CB C 29.480 . 1 376 41 41 ARG N N 123.246 . 1 377 42 42 ILE H H 9.025 . 1 378 42 42 ILE HA H 3.933 . 1 379 42 42 ILE HB H 1.687 . 1 380 42 42 ILE HG12 H 1.433 . 2 381 42 42 ILE HG13 H 1.301 . 2 382 42 42 ILE HG2 H 0.857 . 1 383 42 42 ILE HD1 H 0.697 . 1 384 42 42 ILE C C 175.395 . 1 385 42 42 ILE CA C 64.478 . 1 386 42 42 ILE CB C 37.749 . 1 387 42 42 ILE CG1 C 30.478 . 1 388 42 42 ILE CG2 C 17.202 . 1 389 42 42 ILE CD1 C 13.882 . 1 390 42 42 ILE N N 116.172 . 1 391 43 43 ILE H H 6.599 . 1 392 43 43 ILE HA H 3.836 . 1 393 43 43 ILE HB H 2.015 . 1 394 43 43 ILE HG12 H 1.368 . 2 395 43 43 ILE HG13 H 1.216 . 2 396 43 43 ILE HG2 H 0.719 . 1 397 43 43 ILE HD1 H 0.712 . 1 398 43 43 ILE C C 176.730 . 1 399 43 43 ILE CA C 63.078 . 1 400 43 43 ILE CB C 36.754 . 1 401 43 43 ILE CG1 C 26.988 . 1 402 43 43 ILE CG2 C 19.514 . 1 403 43 43 ILE CD1 C 13.466 . 1 404 43 43 ILE N N 115.788 . 1 405 44 44 ILE H H 7.847 . 1 406 44 44 ILE HA H 3.483 . 1 407 44 44 ILE HB H 1.803 . 1 408 44 44 ILE HG12 H 1.482 . 2 409 44 44 ILE HG13 H 0.920 . 2 410 44 44 ILE HG2 H 0.772 . 1 411 44 44 ILE HD1 H 0.644 . 1 412 44 44 ILE C C 177.367 . 1 413 44 44 ILE CA C 65.219 . 1 414 44 44 ILE CB C 37.688 . 1 415 44 44 ILE CG1 C 29.719 . 1 416 44 44 ILE CG2 C 17.848 . 1 417 44 44 ILE CD1 C 13.658 . 1 418 44 44 ILE N N 121.813 . 1 419 45 45 THR H H 8.561 . 1 420 45 45 THR HA H 4.058 . 1 421 45 45 THR HB H 3.958 . 1 422 45 45 THR HG2 H 1.376 . 1 423 45 45 THR C C 177.019 . 1 424 45 45 THR CA C 67.004 . 1 425 45 45 THR CB C 68.314 . 1 426 45 45 THR CG2 C 21.933 . 1 427 45 45 THR N N 116.480 . 1 428 46 46 ALA H H 7.905 . 1 429 46 46 ALA HA H 4.022 . 1 430 46 46 ALA HB H 1.367 . 1 431 46 46 ALA C C 178.167 . 1 432 46 46 ALA CA C 55.825 . 1 433 46 46 ALA CB C 17.354 . 1 434 46 46 ALA N N 122.027 . 1 435 47 47 ALA H H 7.874 . 1 436 47 47 ALA HA H 4.131 . 1 437 47 47 ALA HB H 1.357 . 1 438 47 47 ALA C C 178.298 . 1 439 47 47 ALA CA C 55.297 . 1 440 47 47 ALA CB C 18.986 . 1 441 47 47 ALA N N 117.932 . 1 442 48 48 LYS H H 9.085 . 1 443 48 48 LYS HA H 4.185 . 1 444 48 48 LYS HB2 H 1.904 . 2 445 48 48 LYS HB3 H 1.688 . 2 446 48 48 LYS HG2 H 1.452 . 1 447 48 48 LYS HG3 H 1.452 . 1 448 48 48 LYS C C 177.053 . 1 449 48 48 LYS CA C 58.770 . 1 450 48 48 LYS CB C 33.679 . 1 451 48 48 LYS CG C 24.552 . 1 452 48 48 LYS N N 117.213 . 1 453 49 49 ASP H H 8.265 . 1 454 49 49 ASP HA H 4.660 . 1 455 49 49 ASP HB2 H 2.873 . 2 456 49 49 ASP HB3 H 2.271 . 2 457 49 49 ASP C C 177.190 . 1 458 49 49 ASP CA C 55.828 . 1 459 49 49 ASP CB C 40.834 . 1 460 49 49 ASP N N 116.105 . 1 461 50 50 PHE H H 7.144 . 1 462 50 50 PHE HA H 4.503 . 1 463 50 50 PHE HB2 H 3.294 . 2 464 50 50 PHE HB3 H 3.045 . 2 465 50 50 PHE HD1 H 7.264 . 1 466 50 50 PHE HD2 H 7.264 . 1 467 50 50 PHE HE1 H 7.159 . 1 468 50 50 PHE HE2 H 7.159 . 1 469 50 50 PHE C C 174.810 . 1 470 50 50 PHE CA C 58.010 . 1 471 50 50 PHE CB C 39.720 . 1 472 50 50 PHE N N 114.865 . 1 473 51 51 ASN H H 6.973 . 1 474 51 51 ASN HA H 4.524 . 1 475 51 51 ASN HB2 H 3.131 . 2 476 51 51 ASN HB3 H 2.555 . 2 477 51 51 ASN C C 174.237 . 1 478 51 51 ASN CA C 54.275 . 1 479 51 51 ASN CB C 38.053 . 1 480 51 51 ASN N N 113.993 . 1 481 52 52 VAL H H 7.071 . 1 482 52 52 VAL HA H 4.282 . 1 483 52 52 VAL HB H 2.470 . 1 484 52 52 VAL HG1 H 0.540 . 2 485 52 52 VAL HG2 H 0.915 . 2 486 52 52 VAL C C 175.977 . 1 487 52 52 VAL CA C 62.515 . 1 488 52 52 VAL CB C 31.195 . 1 489 52 52 VAL CG1 C 19.620 . 2 490 52 52 VAL CG2 C 22.155 . 2 491 52 52 VAL N N 108.279 . 1 492 53 53 LYS H H 7.699 . 1 493 53 53 LYS HA H 4.052 . 1 494 53 53 LYS HB2 H 1.965 . 2 495 53 53 LYS HB3 H 1.802 . 2 496 53 53 LYS HG2 H 1.531 . 2 497 53 53 LYS HG3 H 1.506 . 2 498 53 53 LYS C C 177.153 . 1 499 53 53 LYS CA C 59.138 . 1 500 53 53 LYS CB C 32.780 . 1 501 53 53 LYS CG C 23.983 . 1 502 53 53 LYS N N 122.057 . 1 503 54 54 LYS H H 7.197 . 1 504 54 54 LYS HA H 4.595 . 1 505 54 54 LYS HB2 H 1.821 . 2 506 54 54 LYS HB3 H 1.703 . 2 507 54 54 LYS HG2 H 1.379 . 2 508 54 54 LYS HG3 H 1.111 . 2 509 54 54 LYS HD2 H 1.613 . 1 510 54 54 LYS HD3 H 1.613 . 1 511 54 54 LYS HE2 H 2.808 . 2 512 54 54 LYS HE3 H 2.745 . 2 513 54 54 LYS C C 173.045 . 1 514 54 54 LYS CA C 56.401 . 1 515 54 54 LYS CB C 36.576 . 1 516 54 54 LYS CG C 25.645 . 1 517 54 54 LYS CD C 29.458 . 1 518 54 54 LYS CE C 41.672 . 1 519 54 54 LYS N N 114.545 . 1 520 55 55 ALA H H 8.556 . 1 521 55 55 ALA HA H 5.555 . 1 522 55 55 ALA HB H 1.197 . 1 523 55 55 ALA C C 174.806 . 1 524 55 55 ALA CA C 49.970 . 1 525 55 55 ALA CB C 22.140 . 1 526 55 55 ALA N N 128.381 . 1 527 56 56 VAL H H 8.976 . 1 528 56 56 VAL HA H 4.556 . 1 529 56 56 VAL HB H 0.323 . 1 530 56 56 VAL HG1 H 0.428 . 1 531 56 56 VAL HG2 H 0.428 . 1 532 56 56 VAL C C 175.209 . 1 533 56 56 VAL CA C 60.567 . 1 534 56 56 VAL CB C 34.161 . 1 535 56 56 VAL CG1 C 21.330 . 1 536 56 56 VAL CG2 C 21.330 . 1 537 56 56 VAL N N 124.321 . 1 538 57 57 GLY H H 9.318 . 1 539 57 57 GLY HA2 H 4.978 . 2 540 57 57 GLY HA3 H 3.510 . 2 541 57 57 GLY C C 170.795 . 1 542 57 57 GLY CA C 44.151 . 1 543 57 57 GLY N N 114.027 . 1 544 58 58 VAL H H 8.812 . 1 545 58 58 VAL HA H 5.183 . 1 546 58 58 VAL HB H 2.190 . 1 547 58 58 VAL HG1 H 0.974 . 2 548 58 58 VAL HG2 H 0.933 . 2 549 58 58 VAL C C 175.373 . 1 550 58 58 VAL CA C 61.267 . 1 551 58 58 VAL CB C 33.940 . 1 552 58 58 VAL CG1 C 20.810 . 1 553 58 58 VAL CG2 C 20.810 . 1 554 58 58 VAL N N 123.950 . 1 555 59 59 GLU H H 8.694 . 1 556 59 59 GLU HA H 4.836 . 1 557 59 59 GLU HB2 H 1.676 . 1 558 59 59 GLU HB3 H 1.676 . 1 559 59 59 GLU C C 172.794 . 1 560 59 59 GLU CA C 55.010 . 1 561 59 59 GLU CB C 35.659 . 1 562 59 59 GLU N N 130.027 . 1 563 60 60 ILE H H 8.448 . 1 564 60 60 ILE HA H 4.550 . 1 565 60 60 ILE HB H 1.692 . 1 566 60 60 ILE HG12 H 1.346 . 2 567 60 60 ILE HG13 H 1.202 . 2 568 60 60 ILE HG2 H 0.777 . 1 569 60 60 ILE HD1 H 0.783 . 1 570 60 60 ILE C C 174.743 . 1 571 60 60 ILE CA C 59.653 . 1 572 60 60 ILE CB C 41.184 . 1 573 60 60 ILE CG1 C 28.047 . 1 574 60 60 ILE CG2 C 17.643 . 1 575 60 60 ILE CD1 C 13.980 . 1 576 60 60 ILE N N 117.756 . 1 577 61 61 ASN H H 8.615 . 1 578 61 61 ASN HA H 4.722 . 1 579 61 61 ASN HB2 H 2.753 . 2 580 61 61 ASN HB3 H 2.810 . 2 581 61 61 ASN C C 175.699 . 1 582 61 61 ASN CA C 53.732 . 1 583 61 61 ASN CB C 40.247 . 1 584 61 61 ASN N N 122.943 . 1 585 62 62 ASP H H 8.767 . 1 586 62 62 ASP HA H 4.295 . 1 587 62 62 ASP HB2 H 2.611 . 1 588 62 62 ASP HB3 H 2.611 . 1 589 62 62 ASP C C 177.809 . 1 590 62 62 ASP CA C 58.187 . 1 591 62 62 ASP CB C 41.474 . 1 592 62 62 ASP N N 126.730 . 1 593 63 63 GLU H H 8.252 . 1 594 63 63 GLU HA H 4.026 . 1 595 63 63 GLU HB2 H 2.151 . 2 596 63 63 GLU HB3 H 2.053 . 2 597 63 63 GLU HG2 H 2.334 . 2 598 63 63 GLU HG3 H 2.286 . 2 599 63 63 GLU C C 179.084 . 1 600 63 63 GLU CA C 59.768 . 1 601 63 63 GLU CB C 29.112 . 1 602 63 63 GLU CG C 36.331 . 1 603 63 63 GLU N N 120.003 . 1 604 64 64 ARG H H 7.657 . 1 605 64 64 ARG HA H 4.045 . 1 606 64 64 ARG HB2 H 1.790 . 2 607 64 64 ARG HB3 H 1.747 . 2 608 64 64 ARG C C 178.198 . 1 609 64 64 ARG CA C 57.927 . 1 610 64 64 ARG CB C 31.143 . 1 611 64 64 ARG N N 117.683 . 1 612 65 65 ILE H H 7.916 . 1 613 65 65 ILE HA H 3.389 . 1 614 65 65 ILE HB H 1.886 . 1 615 65 65 ILE HG12 H 0.752 . 1 616 65 65 ILE HG13 H 0.752 . 1 617 65 65 ILE HG2 H 0.849 . 1 618 65 65 ILE C C 177.079 . 1 619 65 65 ILE CA C 65.946 . 1 620 65 65 ILE CB C 37.788 . 1 621 65 65 ILE CG1 C 29.684 . 1 622 65 65 ILE CG2 C 16.767 . 1 623 65 65 ILE N N 118.633 . 1 624 66 66 ARG H H 7.797 . 1 625 66 66 ARG HA H 3.910 . 1 626 66 66 ARG HB2 H 1.927 . 1 627 66 66 ARG HB3 H 1.927 . 1 628 66 66 ARG HG2 H 1.820 . 2 629 66 66 ARG HG3 H 1.633 . 2 630 66 66 ARG HD2 H 3.241 . 1 631 66 66 ARG HD3 H 3.241 . 1 632 66 66 ARG C C 179.781 . 1 633 66 66 ARG CA C 60.090 . 1 634 66 66 ARG CB C 30.116 . 1 635 66 66 ARG CG C 27.290 . 1 636 66 66 ARG CD C 42.756 . 1 637 66 66 ARG N N 117.655 . 1 638 67 67 GLU H H 7.512 . 1 639 67 67 GLU HA H 4.036 . 1 640 67 67 GLU HB2 H 2.038 . 2 641 67 67 GLU HB3 H 2.280 . 2 642 67 67 GLU HG2 H 2.482 . 1 643 67 67 GLU HG3 H 2.482 . 1 644 67 67 GLU C C 178.491 . 1 645 67 67 GLU CA C 58.989 . 1 646 67 67 GLU CB C 29.804 . 1 647 67 67 GLU CG C 35.889 . 1 648 67 67 GLU N N 119.675 . 1 649 68 68 ALA H H 8.716 . 1 650 68 68 ALA HA H 4.125 . 1 651 68 68 ALA HB H 1.334 . 1 652 68 68 ALA C C 180.272 . 1 653 68 68 ALA CA C 55.382 . 1 654 68 68 ALA CB C 18.097 . 1 655 68 68 ALA N N 123.240 . 1 656 69 69 LEU H H 8.781 . 1 657 69 69 LEU HA H 3.953 . 1 658 69 69 LEU HB2 H 1.867 . 2 659 69 69 LEU HB3 H 1.499 . 2 660 69 69 LEU HG H 1.813 . 1 661 69 69 LEU HD1 H 0.871 . 2 662 69 69 LEU HD2 H 0.904 . 2 663 69 69 LEU C C 180.236 . 1 664 69 69 LEU CA C 58.238 . 1 665 69 69 LEU CB C 41.778 . 1 666 69 69 LEU CG C 26.842 . 1 667 69 69 LEU CD1 C 25.436 . 2 668 69 69 LEU CD2 C 22.943 . 2 669 69 69 LEU N N 117.796 . 1 670 70 70 ALA H H 7.571 . 1 671 70 70 ALA HA H 4.229 . 1 672 70 70 ALA HB H 1.518 . 1 673 70 70 ALA C C 180.432 . 1 674 70 70 ALA CA C 54.941 . 1 675 70 70 ALA CB C 17.734 . 1 676 70 70 ALA N N 121.603 . 1 677 71 71 ASN H H 8.312 . 1 678 71 71 ASN HA H 4.590 . 1 679 71 71 ASN HB2 H 3.038 . 2 680 71 71 ASN HB3 H 2.610 . 2 681 71 71 ASN C C 179.152 . 1 682 71 71 ASN CA C 55.528 . 1 683 71 71 ASN CB C 37.883 . 1 684 71 71 ASN N N 118.637 . 1 685 72 72 ILE H H 8.861 . 1 686 72 72 ILE HA H 3.396 . 1 687 72 72 ILE HB H 1.986 . 1 688 72 72 ILE HG12 H 0.692 . 2 689 72 72 ILE HG13 H 0.660 . 2 690 72 72 ILE HG2 H 0.851 . 1 691 72 72 ILE C C 177.306 . 1 692 72 72 ILE CA C 66.016 . 1 693 72 72 ILE CB C 38.411 . 1 694 72 72 ILE CG1 C 29.965 . 1 695 72 72 ILE CG2 C 16.990 . 1 696 72 72 ILE N N 125.452 . 1 697 73 73 GLU H H 7.587 . 1 698 73 73 GLU HA H 4.062 . 1 699 73 73 GLU HB2 H 2.165 . 1 700 73 73 GLU HB3 H 2.165 . 1 701 73 73 GLU HG2 H 2.404 . 2 702 73 73 GLU HG3 H 2.321 . 2 703 73 73 GLU C C 180.673 . 1 704 73 73 GLU CA C 59.416 . 1 705 73 73 GLU CB C 29.455 . 1 706 73 73 GLU CG C 35.521 . 1 707 73 73 GLU N N 119.521 . 1 708 74 74 LYS H H 8.470 . 1 709 74 74 LYS HA H 4.154 . 1 710 74 74 LYS HB2 H 2.022 . 2 711 74 74 LYS HB3 H 1.924 . 2 712 74 74 LYS HG2 H 1.572 . 1 713 74 74 LYS HG3 H 1.572 . 1 714 74 74 LYS C C 177.734 . 1 715 74 74 LYS CA C 58.971 . 1 716 74 74 LYS CB C 32.720 . 1 717 74 74 LYS CG C 25.062 . 1 718 74 74 LYS N N 119.701 . 1 719 75 75 ASN H H 7.502 . 1 720 75 75 ASN HA H 4.718 . 1 721 75 75 ASN HB2 H 2.633 . 2 722 75 75 ASN HB3 H 2.679 . 2 723 75 75 ASN C C 174.821 . 1 724 75 75 ASN CA C 54.394 . 1 725 75 75 ASN CB C 41.232 . 1 726 75 75 ASN N N 113.141 . 1 727 76 76 GLY H H 7.862 . 1 728 76 76 GLY HA2 H 4.218 . 2 729 76 76 GLY HA3 H 4.052 . 2 730 76 76 GLY C C 176.058 . 1 731 76 76 GLY CA C 47.488 . 1 732 76 76 GLY N N 107.799 . 1 733 77 77 VAL H H 7.400 . 1 734 77 77 VAL HA H 4.820 . 1 735 77 77 VAL HB H 2.516 . 1 736 77 77 VAL HG1 H 0.873 . 2 737 77 77 VAL HG2 H 0.836 . 2 738 77 77 VAL C C 175.045 . 1 739 77 77 VAL CA C 59.594 . 1 740 77 77 VAL CB C 30.807 . 1 741 77 77 VAL CG1 C 21.560 . 1 742 77 77 VAL CG2 C 21.560 . 1 743 77 77 VAL N N 106.902 . 1 744 78 78 THR H H 7.669 . 1 745 78 78 THR HA H 3.933 . 1 746 78 78 THR HB H 4.138 . 1 747 78 78 THR HG2 H 1.312 . 1 748 78 78 THR C C 175.515 . 1 749 78 78 THR CA C 64.563 . 1 750 78 78 THR CB C 68.642 . 1 751 78 78 THR CG2 C 22.043 . 1 752 78 78 THR N N 116.233 . 1 753 79 79 GLY H H 8.965 . 1 754 79 79 GLY HA2 H 4.234 . 2 755 79 79 GLY HA3 H 3.765 . 2 756 79 79 GLY C C 174.650 . 1 757 79 79 GLY CA C 45.838 . 1 758 79 79 GLY N N 113.017 . 1 759 80 80 ARG H H 7.497 . 1 760 80 80 ARG HA H 4.529 . 1 761 80 80 ARG HB2 H 1.832 . 2 762 80 80 ARG HB3 H 1.631 . 2 763 80 80 ARG HG2 H 1.642 . 1 764 80 80 ARG HG3 H 1.642 . 1 765 80 80 ARG HD2 H 3.337 . 1 766 80 80 ARG HD3 H 3.337 . 1 767 80 80 ARG C C 174.461 . 1 768 80 80 ARG CA C 56.936 . 1 769 80 80 ARG CB C 32.734 . 1 770 80 80 ARG CG C 27.751 . 1 771 80 80 ARG CD C 43.442 . 1 772 80 80 ARG N N 118.496 . 1 773 81 81 ALA H H 7.749 . 1 774 81 81 ALA HA H 5.744 . 1 775 81 81 ALA HB H 1.041 . 1 776 81 81 ALA C C 175.396 . 1 777 81 81 ALA CA C 49.688 . 1 778 81 81 ALA CB C 21.315 . 1 779 81 81 ALA N N 121.467 . 1 780 82 82 SER H H 8.443 . 1 781 82 82 SER HA H 4.644 . 1 782 82 82 SER HB2 H 3.740 . 2 783 82 82 SER HB3 H 3.767 . 2 784 82 82 SER C C 171.615 . 1 785 82 82 SER CA C 56.864 . 1 786 82 82 SER CB C 65.936 . 1 787 82 82 SER N N 114.312 . 1 788 83 83 ILE H H 8.268 . 1 789 83 83 ILE HA H 5.107 . 1 790 83 83 ILE HB H 1.743 . 1 791 83 83 ILE HG12 H 1.248 . 2 792 83 83 ILE HG13 H 1.221 . 2 793 83 83 ILE HG2 H 0.771 . 1 794 83 83 ILE HD1 H 0.702 . 1 795 83 83 ILE C C 175.220 . 1 796 83 83 ILE CA C 57.346 . 1 797 83 83 ILE CB C 39.533 . 1 798 83 83 ILE CG1 C 27.360 . 1 799 83 83 ILE CG2 C 17.693 . 1 800 83 83 ILE CD1 C 12.583 . 1 801 83 83 ILE N N 119.289 . 1 802 84 84 VAL H H 9.096 . 1 803 84 84 VAL HA H 4.189 . 1 804 84 84 VAL HB H 1.893 . 1 805 84 84 VAL HG1 H 0.870 . 2 806 84 84 VAL HG2 H 0.866 . 2 807 84 84 VAL C C 173.705 . 1 808 84 84 VAL CA C 60.838 . 1 809 84 84 VAL CB C 34.782 . 1 810 84 84 VAL CG1 C 20.624 . 1 811 84 84 VAL CG2 C 20.624 . 1 812 84 84 VAL N N 127.989 . 1 813 85 85 LYS H H 8.243 . 1 814 85 85 LYS HA H 5.229 . 1 815 85 85 LYS HB2 H 1.850 . 2 816 85 85 LYS HB3 H 1.572 . 2 817 85 85 LYS HG2 H 1.334 . 2 818 85 85 LYS HG3 H 1.193 . 2 819 85 85 LYS HD2 H 1.633 . 1 820 85 85 LYS HD3 H 1.633 . 1 821 85 85 LYS HE2 H 2.936 . 1 822 85 85 LYS HE3 H 2.936 . 1 823 85 85 LYS C C 176.703 . 1 824 85 85 LYS CA C 54.071 . 1 825 85 85 LYS CB C 33.119 . 1 826 85 85 LYS CG C 25.588 . 1 827 85 85 LYS CD C 29.509 . 1 828 85 85 LYS CE C 42.406 . 1 829 85 85 LYS N N 126.599 . 1 830 86 86 GLY H H 7.883 . 1 831 86 86 GLY HA2 H 3.904 . 2 832 86 86 GLY HA3 H 3.726 . 2 833 86 86 GLY C C 170.251 . 1 834 86 86 GLY CA C 44.864 . 1 835 86 86 GLY N N 114.078 . 1 836 87 87 ASN H H 8.413 . 1 837 87 87 ASN HA H 4.347 . 1 838 87 87 ASN HB2 H 2.583 . 2 839 87 87 ASN HB3 H 2.676 . 2 840 87 87 ASN C C 177.303 . 1 841 87 87 ASN CA C 52.297 . 1 842 87 87 ASN CB C 39.207 . 1 843 87 87 ASN N N 116.615 . 1 844 88 88 PHE H H 7.553 . 1 845 88 88 PHE C C 175.275 . 1 846 88 88 PHE CA C 59.457 . 1 847 88 88 PHE CB C 38.753 . 1 848 88 88 PHE N N 119.825 . 1 849 89 89 PHE H H 7.726 . 1 850 89 89 PHE HA H 4.158 . 1 851 89 89 PHE HB2 H 3.025 . 2 852 89 89 PHE HB3 H 3.131 . 2 853 89 89 PHE C C 177.194 . 1 854 89 89 PHE CA C 59.809 . 1 855 89 89 PHE CB C 38.840 . 1 856 89 89 PHE N N 112.176 . 1 857 90 90 GLU H H 7.799 . 1 858 90 90 GLU HA H 4.410 . 1 859 90 90 GLU HB2 H 2.182 . 2 860 90 90 GLU HB3 H 2.018 . 2 861 90 90 GLU HG2 H 2.295 . 2 862 90 90 GLU HG3 H 2.184 . 2 863 90 90 GLU C C 176.135 . 1 864 90 90 GLU CA C 56.461 . 1 865 90 90 GLU CB C 31.138 . 1 866 90 90 GLU CG C 36.181 . 1 867 90 90 GLU N N 117.483 . 1 868 91 91 VAL H H 6.989 . 1 869 91 91 VAL HA H 4.048 . 1 870 91 91 VAL HB H 1.936 . 1 871 91 91 VAL HG1 H 0.904 . 2 872 91 91 VAL HG2 H 0.896 . 2 873 91 91 VAL C C 175.077 . 1 874 91 91 VAL CA C 61.894 . 1 875 91 91 VAL CB C 33.344 . 1 876 91 91 VAL CG1 C 20.674 . 1 877 91 91 VAL CG2 C 20.674 . 1 878 91 91 VAL N N 119.188 . 1 879 92 92 ASP H H 8.567 . 1 880 92 92 ASP HA H 4.717 . 1 881 92 92 ASP HB2 H 2.808 . 2 882 92 92 ASP HB3 H 2.612 . 2 883 92 92 ASP C C 176.997 . 1 884 92 92 ASP CA C 54.259 . 1 885 92 92 ASP CB C 41.274 . 1 886 92 92 ASP N N 128.202 . 1 887 93 93 ILE H H 8.560 . 1 888 93 93 ILE HA H 4.053 . 1 889 93 93 ILE HB H 1.648 . 1 890 93 93 ILE HG12 H 1.136 . 2 891 93 93 ILE HG13 H 1.181 . 2 892 93 93 ILE HG2 H 0.768 . 1 893 93 93 ILE HD1 H 0.702 . 1 894 93 93 ILE C C 175.372 . 1 895 93 93 ILE CA C 60.185 . 1 896 93 93 ILE CB C 38.023 . 1 897 93 93 ILE CG1 C 25.509 . 1 898 93 93 ILE CG2 C 17.091 . 1 899 93 93 ILE CD1 C 14.263 . 1 900 93 93 ILE N N 122.389 . 1 901 94 94 SER H H 8.052 . 1 902 94 94 SER HA H 4.052 . 1 903 94 94 SER HB2 H 3.955 . 2 904 94 94 SER HB3 H 3.951 . 2 905 94 94 SER C C 176.231 . 1 906 94 94 SER CA C 61.581 . 1 907 94 94 SER CB C 64.058 . 1 908 94 94 SER N N 116.137 . 1 909 95 95 GLU H H 7.955 . 1 910 95 95 GLU HA H 4.238 . 1 911 95 95 GLU HB2 H 2.148 . 2 912 95 95 GLU HB3 H 1.865 . 2 913 95 95 GLU HG2 H 2.489 . 2 914 95 95 GLU HG3 H 2.151 . 2 915 95 95 GLU C C 176.098 . 1 916 95 95 GLU CA C 56.274 . 1 917 95 95 GLU CB C 29.511 . 1 918 95 95 GLU CG C 35.202 . 1 919 95 95 GLU N N 120.001 . 1 920 96 96 ALA H H 7.626 . 1 921 96 96 ALA HA H 3.882 . 1 922 96 96 ALA HB H 1.200 . 1 923 96 96 ALA C C 177.212 . 1 924 96 96 ALA CA C 53.508 . 1 925 96 96 ALA CB C 20.079 . 1 926 96 96 ALA N N 121.792 . 1 927 97 97 THR H H 9.109 . 1 928 97 97 THR HA H 4.979 . 1 929 97 97 THR HB H 4.523 . 1 930 97 97 THR HG2 H 1.446 . 1 931 97 97 THR C C 175.698 . 1 932 97 97 THR CA C 62.597 . 1 933 97 97 THR CB C 69.116 . 1 934 97 97 THR CG2 C 23.115 . 1 935 97 97 THR N N 109.782 . 1 936 98 98 VAL H H 7.935 . 1 937 98 98 VAL HA H 5.204 . 1 938 98 98 VAL HB H 1.882 . 1 939 98 98 VAL HG1 H 0.986 . 2 940 98 98 VAL HG2 H 0.711 . 2 941 98 98 VAL C C 174.509 . 1 942 98 98 VAL CA C 60.953 . 1 943 98 98 VAL CB C 36.712 . 1 944 98 98 VAL CG1 C 21.569 . 2 945 98 98 VAL CG2 C 20.331 . 2 946 98 98 VAL N N 123.190 . 1 947 99 99 VAL H H 9.354 . 1 948 99 99 VAL HA H 5.219 . 1 949 99 99 VAL HB H 1.977 . 1 950 99 99 VAL HG1 H 0.897 . 1 951 99 99 VAL HG2 H 0.897 . 1 952 99 99 VAL C C 175.350 . 1 953 99 99 VAL CA C 60.374 . 1 954 99 99 VAL CB C 34.821 . 1 955 99 99 VAL CG1 C 22.673 . 2 956 99 99 VAL CG2 C 22.695 . 2 957 99 99 VAL N N 127.273 . 1 958 100 100 THR H H 9.258 . 1 959 100 100 THR HA H 5.465 . 1 960 100 100 THR HB H 3.917 . 1 961 100 100 THR HG2 H 0.895 . 1 962 100 100 THR C C 174.288 . 1 963 100 100 THR CA C 58.787 . 1 964 100 100 THR CB C 70.160 . 1 965 100 100 THR CG2 C 21.149 . 1 966 100 100 THR N N 117.029 . 1 967 101 101 MET H H 8.698 . 1 968 101 101 MET HA H 4.982 . 1 969 101 101 MET HB2 H 1.988 . 2 970 101 101 MET HB3 H 2.231 . 2 971 101 101 MET C C 173.344 . 1 972 101 101 MET CA C 55.740 . 1 973 101 101 MET CB C 37.419 . 1 974 101 101 MET N N 121.364 . 1 975 102 102 PHE H H 8.017 . 1 976 102 102 PHE HA H 5.139 . 1 977 102 102 PHE HB2 H 3.149 . 2 978 102 102 PHE HB3 H 3.554 . 2 979 102 102 PHE C C 174.841 . 1 980 102 102 PHE CA C 56.426 . 1 981 102 102 PHE CB C 38.912 . 1 982 102 102 PHE N N 125.173 . 1 983 103 103 LEU H H 8.537 . 1 984 103 103 LEU C C 176.979 . 1 985 103 103 LEU CA C 54.112 . 1 986 103 103 LEU N N 121.940 . 1 987 110 110 MET H H 7.514 . 1 988 110 110 MET HA H 4.283 . 1 989 110 110 MET HB2 H 2.279 . 2 990 110 110 MET HB3 H 2.191 . 2 991 110 110 MET HG2 H 2.578 . 2 992 110 110 MET HG3 H 2.714 . 2 993 110 110 MET C C 177.540 . 1 994 110 110 MET CA C 57.395 . 1 995 110 110 MET CB C 33.215 . 1 996 110 110 MET CG C 32.270 . 1 997 110 110 MET N N 116.467 . 1 998 111 111 LEU H H 7.700 . 1 999 111 111 LEU HA H 4.271 . 1 1000 111 111 LEU HB2 H 1.620 . 2 1001 111 111 LEU HB3 H 1.341 . 2 1002 111 111 LEU HD1 H 0.547 . 1 1003 111 111 LEU HD2 H 0.547 . 1 1004 111 111 LEU C C 177.318 . 1 1005 111 111 LEU CA C 55.792 . 1 1006 111 111 LEU CB C 43.137 . 1 1007 111 111 LEU CD1 C 24.348 . 1 1008 111 111 LEU CD2 C 24.348 . 1 1009 111 111 LEU N N 117.955 . 1 1010 112 112 LYS H H 7.513 . 1 1011 112 112 LYS HA H 4.475 . 1 1012 112 112 LYS HB2 H 1.615 . 1 1013 112 112 LYS HB3 H 1.615 . 1 1014 112 112 LYS C C 174.132 . 1 1015 112 112 LYS CA C 62.720 . 1 1016 112 112 LYS N N 119.257 . 1 1017 113 113 PRO HA H 4.462 . 1 1018 113 113 PRO HB2 H 1.937 . 2 1019 113 113 PRO HB3 H 2.360 . 2 1020 113 113 PRO HG2 H 2.121 . 2 1021 113 113 PRO HG3 H 2.047 . 2 1022 113 113 PRO HD2 H 3.592 . 2 1023 113 113 PRO HD3 H 3.757 . 2 1024 113 113 PRO C C 179.506 . 1 1025 113 113 PRO CA C 65.777 . 1 1026 113 113 PRO CB C 30.640 . 1 1027 113 113 PRO CG C 28.487 . 1 1028 113 113 PRO CD C 49.951 . 1 1029 114 114 LYS H H 7.103 . 1 1030 114 114 LYS HA H 4.137 . 1 1031 114 114 LYS HB2 H 2.032 . 1 1032 114 114 LYS HB3 H 2.032 . 1 1033 114 114 LYS C C 178.101 . 1 1034 114 114 LYS CA C 59.334 . 1 1035 114 114 LYS CB C 33.287 . 1 1036 114 114 LYS N N 118.991 . 1 1037 115 115 LEU H H 8.171 . 1 1038 115 115 LEU HA H 3.888 . 1 1039 115 115 LEU HB2 H 2.199 . 2 1040 115 115 LEU HB3 H 1.451 . 2 1041 115 115 LEU HG H 1.821 . 1 1042 115 115 LEU HD1 H 0.599 . 2 1043 115 115 LEU HD2 H 0.701 . 2 1044 115 115 LEU C C 178.131 . 1 1045 115 115 LEU CA C 58.120 . 1 1046 115 115 LEU CB C 41.521 . 1 1047 115 115 LEU CG C 27.562 . 1 1048 115 115 LEU CD1 C 25.718 . 2 1049 115 115 LEU CD2 C 22.063 . 2 1050 115 115 LEU N N 117.382 . 1 1051 116 116 GLU H H 8.101 . 1 1052 116 116 GLU HA H 3.911 . 1 1053 116 116 GLU HB2 H 2.181 . 2 1054 116 116 GLU HB3 H 2.089 . 2 1055 116 116 GLU HG2 H 2.736 . 2 1056 116 116 GLU HG3 H 2.303 . 2 1057 116 116 GLU C C 177.999 . 1 1058 116 116 GLU CA C 59.093 . 1 1059 116 116 GLU CB C 30.226 . 1 1060 116 116 GLU CG C 38.155 . 1 1061 116 116 GLU N N 112.652 . 1 1062 117 117 LYS H H 7.637 . 1 1063 117 117 LYS HA H 4.278 . 1 1064 117 117 LYS HB2 H 1.956 . 2 1065 117 117 LYS HB3 H 2.021 . 2 1066 117 117 LYS HG2 H 1.485 . 2 1067 117 117 LYS HG3 H 1.559 . 2 1068 117 117 LYS HD2 H 1.759 . 2 1069 117 117 LYS HD3 H 1.749 . 2 1070 117 117 LYS HE2 H 3.015 . 1 1071 117 117 LYS HE3 H 3.015 . 1 1072 117 117 LYS C C 178.352 . 1 1073 117 117 LYS CA C 58.199 . 1 1074 117 117 LYS CB C 33.781 . 1 1075 117 117 LYS CG C 25.068 . 1 1076 117 117 LYS CD C 28.962 . 1 1077 117 117 LYS CE C 41.925 . 1 1078 117 117 LYS N N 117.339 . 1 1079 118 118 GLU H H 8.098 . 1 1080 118 118 GLU HA H 4.198 . 1 1081 118 118 GLU HB2 H 1.775 . 2 1082 118 118 GLU HB3 H 1.926 . 2 1083 118 118 GLU HG2 H 2.466 . 2 1084 118 118 GLU HG3 H 2.292 . 2 1085 118 118 GLU C C 176.880 . 1 1086 118 118 GLU CA C 58.441 . 1 1087 118 118 GLU CB C 31.580 . 1 1088 118 118 GLU CG C 36.860 . 1 1089 118 118 GLU N N 115.657 . 1 1090 119 119 LEU H H 7.317 . 1 1091 119 119 LEU HA H 4.861 . 1 1092 119 119 LEU HB2 H 1.973 . 2 1093 119 119 LEU HB3 H 1.145 . 2 1094 119 119 LEU HD1 H 0.802 . 2 1095 119 119 LEU HD2 H 0.773 . 2 1096 119 119 LEU C C 177.278 . 1 1097 119 119 LEU CA C 53.452 . 1 1098 119 119 LEU CB C 41.347 . 1 1099 119 119 LEU CD1 C 27.111 . 2 1100 119 119 LEU CD2 C 22.837 . 2 1101 119 119 LEU N N 115.175 . 1 1102 120 120 LYS H H 9.070 . 1 1103 120 120 LYS HA H 4.414 . 1 1104 120 120 LYS HB2 H 1.730 . 2 1105 120 120 LYS HB3 H 1.825 . 2 1106 120 120 LYS C C 176.023 . 1 1107 120 120 LYS CA C 54.482 . 1 1108 120 120 LYS CB C 31.517 . 1 1109 120 120 LYS N N 122.494 . 1 1110 121 121 PRO HA H 4.044 . 1 1111 121 121 PRO HB2 H 2.290 . 2 1112 121 121 PRO HB3 H 1.928 . 2 1113 121 121 PRO HG2 H 2.207 . 1 1114 121 121 PRO HG3 H 2.207 . 1 1115 121 121 PRO HD2 H 3.627 . 2 1116 121 121 PRO HD3 H 3.892 . 2 1117 121 121 PRO C C 176.895 . 1 1118 121 121 PRO CA C 64.216 . 1 1119 121 121 PRO CB C 31.607 . 1 1120 121 121 PRO CG C 27.906 . 1 1121 121 121 PRO CD C 50.749 . 1 1122 121 121 PRO N N 137.692 . 1 1123 122 122 GLY H H 9.215 . 1 1124 122 122 GLY HA2 H 4.510 . 2 1125 122 122 GLY HA3 H 3.435 . 2 1126 122 122 GLY C C 175.396 . 1 1127 122 122 GLY CA C 44.621 . 1 1128 122 122 GLY N N 112.916 . 1 1129 123 123 THR H H 7.891 . 1 1130 123 123 THR HA H 4.287 . 1 1131 123 123 THR HB H 3.799 . 1 1132 123 123 THR HG2 H 1.127 . 1 1133 123 123 THR C C 173.335 . 1 1134 123 123 THR CA C 65.220 . 1 1135 123 123 THR CB C 68.107 . 1 1136 123 123 THR CG2 C 21.887 . 1 1137 123 123 THR N N 120.016 . 1 1138 124 124 ARG H H 8.095 . 1 1139 124 124 ARG HA H 5.134 . 1 1140 124 124 ARG HB2 H 1.937 . 2 1141 124 124 ARG HB3 H 1.749 . 2 1142 124 124 ARG HD2 H 3.501 . 1 1143 124 124 ARG HD3 H 3.501 . 1 1144 124 124 ARG C C 173.947 . 1 1145 124 124 ARG CA C 58.175 . 1 1146 124 124 ARG CB C 29.900 . 1 1147 124 124 ARG CD C 44.390 . 1 1148 124 124 ARG N N 125.302 . 1 1149 125 125 VAL H H 9.414 . 1 1150 125 125 VAL HA H 5.122 . 1 1151 125 125 VAL HB H 2.138 . 1 1152 125 125 VAL HG1 H 0.855 . 2 1153 125 125 VAL HG2 H 0.871 . 2 1154 125 125 VAL C C 174.437 . 1 1155 125 125 VAL CA C 60.714 . 1 1156 125 125 VAL CB C 34.573 . 1 1157 125 125 VAL CG1 C 21.862 . 2 1158 125 125 VAL CG2 C 21.773 . 2 1159 125 125 VAL N N 124.367 . 1 1160 126 126 VAL H H 9.414 . 1 1161 126 126 VAL HA H 5.599 . 1 1162 126 126 VAL HB H 1.844 . 1 1163 126 126 VAL HG1 H 0.918 . 2 1164 126 126 VAL HG2 H 0.927 . 2 1165 126 126 VAL C C 175.190 . 1 1166 126 126 VAL CA C 59.215 . 1 1167 126 126 VAL CB C 34.453 . 1 1168 126 126 VAL CG1 C 23.207 . 2 1169 126 126 VAL CG2 C 23.214 . 2 1170 126 126 VAL N N 126.301 . 1 1171 127 127 SER H H 9.503 . 1 1172 127 127 SER HA H 5.262 . 1 1173 127 127 SER HB2 H 4.018 . 2 1174 127 127 SER HB3 H 3.735 . 2 1175 127 127 SER C C 174.538 . 1 1176 127 127 SER CA C 55.907 . 1 1177 127 127 SER CB C 65.450 . 1 1178 127 127 SER N N 119.627 . 1 1179 128 128 HIS H H 8.224 . 1 1180 128 128 HIS HA H 4.739 . 1 1181 128 128 HIS HB2 H 3.150 . 2 1182 128 128 HIS HB3 H 3.052 . 2 1183 128 128 HIS C C 175.565 . 1 1184 128 128 HIS CA C 56.802 . 1 1185 128 128 HIS CB C 30.182 . 1 1186 128 128 HIS N N 126.927 . 1 1187 129 129 GLU H H 9.237 . 1 1188 129 129 GLU HA H 3.764 . 1 1189 129 129 GLU HB2 H 1.450 . 2 1190 129 129 GLU HB3 H 1.121 . 2 1191 129 129 GLU HG2 H 1.595 . 2 1192 129 129 GLU HG3 H 1.085 . 2 1193 129 129 GLU C C 176.208 . 1 1194 129 129 GLU CA C 61.294 . 1 1195 129 129 GLU CB C 28.688 . 1 1196 129 129 GLU CG C 34.362 . 1 1197 129 129 GLU N N 127.544 . 1 1198 130 130 PHE H H 8.214 . 1 1199 130 130 PHE HA H 4.850 . 1 1200 130 130 PHE HB2 H 3.100 . 2 1201 130 130 PHE HB3 H 2.704 . 2 1202 130 130 PHE C C 174.558 . 1 1203 130 130 PHE CA C 56.160 . 1 1204 130 130 PHE CB C 40.488 . 1 1205 130 130 PHE N N 121.649 . 1 1206 131 131 GLU H H 8.517 . 1 1207 131 131 GLU HA H 3.249 . 1 1208 131 131 GLU HB2 H 1.575 . 2 1209 131 131 GLU HB3 H 1.326 . 2 1210 131 131 GLU HG2 H 1.826 . 2 1211 131 131 GLU HG3 H 1.710 . 2 1212 131 131 GLU C C 176.057 . 1 1213 131 131 GLU CA C 55.204 . 1 1214 131 131 GLU CB C 30.040 . 1 1215 131 131 GLU CG C 35.311 . 1 1216 131 131 GLU N N 124.542 . 1 1217 132 132 ILE H H 7.731 . 1 1218 132 132 ILE HA H 3.606 . 1 1219 132 132 ILE HB H 0.615 . 1 1220 132 132 ILE HG12 H 0.143 . 2 1221 132 132 ILE HG13 H 1.075 . 2 1222 132 132 ILE HG2 H -0.848 . 1 1223 132 132 ILE HD1 H 0.039 . 1 1224 132 132 ILE C C 174.649 . 1 1225 132 132 ILE CA C 61.169 . 1 1226 132 132 ILE CB C 35.612 . 1 1227 132 132 ILE CG1 C 27.084 . 1 1228 132 132 ILE CG2 C 15.939 . 1 1229 132 132 ILE CD1 C 13.198 . 1 1230 132 132 ILE N N 123.491 . 1 1231 133 133 ARG H H 8.132 . 1 1232 133 133 ARG HA H 3.822 . 1 1233 133 133 ARG HB2 H 1.641 . 1 1234 133 133 ARG HB3 H 1.641 . 1 1235 133 133 ARG HG2 H 1.644 . 2 1236 133 133 ARG HG3 H 1.491 . 2 1237 133 133 ARG HD2 H 3.146 . 2 1238 133 133 ARG HD3 H 3.130 . 2 1239 133 133 ARG C C 176.982 . 1 1240 133 133 ARG CA C 58.340 . 1 1241 133 133 ARG CB C 29.912 . 1 1242 133 133 ARG CG C 27.406 . 1 1243 133 133 ARG CD C 43.064 . 1 1244 133 133 ARG N N 126.853 . 1 1245 134 134 GLY H H 8.922 . 1 1246 134 134 GLY HA2 H 3.715 . 2 1247 134 134 GLY HA3 H 4.326 . 2 1248 134 134 GLY C C 174.563 . 1 1249 134 134 GLY CA C 45.078 . 1 1250 134 134 GLY N N 112.323 . 1 1251 135 135 TRP H H 7.973 . 1 1252 135 135 TRP HA H 5.430 . 1 1253 135 135 TRP HB2 H 3.107 . 1 1254 135 135 TRP HB3 H 3.107 . 1 1255 135 135 TRP HD1 H 6.898 . 1 1256 135 135 TRP HE1 H 10.487 . 1 1257 135 135 TRP HE3 H 6.325 . 1 1258 135 135 TRP HZ2 H 7.161 . 1 1259 135 135 TRP HZ3 H 6.204 . 1 1260 135 135 TRP HH2 H 6.625 . 1 1261 135 135 TRP C C 176.069 . 1 1262 135 135 TRP CA C 54.032 . 1 1263 135 135 TRP CB C 33.011 . 1 1264 135 135 TRP CD1 C 122.288 . 1 1265 135 135 TRP CE3 C 120.443 . 1 1266 135 135 TRP CZ2 C 113.188 . 1 1267 135 135 TRP CZ3 C 120.786 . 1 1268 135 135 TRP CH2 C 124.410 . 1 1269 135 135 TRP N N 121.250 . 1 1270 135 135 TRP NE1 N 127.524 . 1 1271 136 136 ASN H H 9.470 . 1 1272 136 136 ASN HA H 5.480 . 1 1273 136 136 ASN HB2 H 2.831 . 2 1274 136 136 ASN HB3 H 2.627 . 2 1275 136 136 ASN C C 172.584 . 1 1276 136 136 ASN CA C 50.187 . 1 1277 136 136 ASN CB C 40.028 . 1 1278 136 136 ASN N N 122.940 . 1 1279 137 137 PRO HA H 4.348 . 1 1280 137 137 PRO HB2 H 1.680 . 2 1281 137 137 PRO HB3 H 1.740 . 2 1282 137 137 PRO HG2 H 2.120 . 2 1283 137 137 PRO HG3 H 2.143 . 2 1284 137 137 PRO HD2 H 4.008 . 2 1285 137 137 PRO HD3 H 4.498 . 2 1286 137 137 PRO C C 176.619 . 1 1287 137 137 PRO CA C 62.735 . 1 1288 137 137 PRO CB C 31.720 . 1 1289 137 137 PRO CG C 26.712 . 1 1290 137 137 PRO CD C 51.434 . 1 1291 137 137 PRO N N 138.999 . 1 1292 138 138 LYS H H 9.299 . 1 1293 138 138 LYS HA H 4.268 . 1 1294 138 138 LYS HB2 H 1.619 . 2 1295 138 138 LYS HB3 H 1.881 . 2 1296 138 138 LYS C C 177.112 . 1 1297 138 138 LYS CA C 57.238 . 1 1298 138 138 LYS CB C 33.481 . 1 1299 138 138 LYS N N 125.430 . 1 1300 139 139 GLU H H 7.395 . 1 1301 139 139 GLU HA H 4.550 . 1 1302 139 139 GLU HB2 H 1.926 . 2 1303 139 139 GLU HB3 H 1.757 . 2 1304 139 139 GLU HG2 H 2.200 . 1 1305 139 139 GLU HG3 H 2.200 . 1 1306 139 139 GLU C C 173.531 . 1 1307 139 139 GLU CA C 55.554 . 1 1308 139 139 GLU CB C 34.444 . 1 1309 139 139 GLU CG C 35.381 . 1 1310 139 139 GLU N N 113.273 . 1 1311 140 140 VAL H H 8.197 . 1 1312 140 140 VAL HA H 4.497 . 1 1313 140 140 VAL HB H 1.810 . 1 1314 140 140 VAL HG1 H 0.884 . 2 1315 140 140 VAL HG2 H 0.392 . 2 1316 140 140 VAL C C 175.612 . 1 1317 140 140 VAL CA C 62.005 . 1 1318 140 140 VAL CB C 33.960 . 1 1319 140 140 VAL CG1 C 21.768 . 2 1320 140 140 VAL CG2 C 20.834 . 2 1321 140 140 VAL N N 122.979 . 1 1322 141 141 ILE H H 8.760 . 1 1323 141 141 ILE HA H 4.635 . 1 1324 141 141 ILE HB H 1.724 . 1 1325 141 141 ILE HG12 H 1.032 . 2 1326 141 141 ILE HG13 H 1.271 . 2 1327 141 141 ILE HG2 H 0.806 . 1 1328 141 141 ILE HD1 H 0.707 . 1 1329 141 141 ILE C C 174.003 . 1 1330 141 141 ILE CA C 58.759 . 1 1331 141 141 ILE CB C 41.674 . 1 1332 141 141 ILE CG1 C 27.488 . 1 1333 141 141 ILE CG2 C 18.747 . 1 1334 141 141 ILE CD1 C 13.731 . 1 1335 141 141 ILE N N 124.081 . 1 1336 142 142 LYS H H 8.269 . 1 1337 142 142 LYS HA H 5.153 . 1 1338 142 142 LYS HB2 H 1.671 . 2 1339 142 142 LYS HB3 H 1.670 . 2 1340 142 142 LYS HG2 H 1.369 . 2 1341 142 142 LYS HG3 H 1.273 . 2 1342 142 142 LYS HD2 H 1.579 . 2 1343 142 142 LYS HD3 H 1.513 . 2 1344 142 142 LYS HE2 H 2.833 . 1 1345 142 142 LYS HE3 H 2.833 . 1 1346 142 142 LYS C C 176.416 . 1 1347 142 142 LYS CA C 54.362 . 1 1348 142 142 LYS CB C 33.807 . 1 1349 142 142 LYS CG C 24.935 . 1 1350 142 142 LYS CD C 29.057 . 1 1351 142 142 LYS CE C 41.728 . 1 1352 142 142 LYS N N 123.015 . 1 1353 143 143 VAL H H 9.156 . 1 1354 143 143 VAL HA H 4.252 . 1 1355 143 143 VAL HB H 1.937 . 1 1356 143 143 VAL HG1 H 0.808 . 2 1357 143 143 VAL HG2 H 0.819 . 2 1358 143 143 VAL C C 174.615 . 1 1359 143 143 VAL CA C 61.003 . 1 1360 143 143 VAL CB C 34.473 . 1 1361 143 143 VAL CG1 C 21.689 . 2 1362 143 143 VAL CG2 C 20.949 . 2 1363 143 143 VAL N N 124.330 . 1 1364 144 144 GLU H H 8.801 . 1 1365 144 144 GLU HA H 4.812 . 1 1366 144 144 GLU HB2 H 2.061 . 2 1367 144 144 GLU HB3 H 1.998 . 2 1368 144 144 GLU HG2 H 2.257 . 1 1369 144 144 GLU HG3 H 2.257 . 1 1370 144 144 GLU C C 175.806 . 1 1371 144 144 GLU CA C 56.238 . 1 1372 144 144 GLU CB C 30.486 . 1 1373 144 144 GLU CG C 35.618 . 1 1374 144 144 GLU N N 129.500 . 1 1375 145 145 ASP H H 8.598 . 1 1376 145 145 ASP HA H 4.795 . 1 1377 145 145 ASP HB2 H 2.584 . 2 1378 145 145 ASP HB3 H 2.399 . 2 1379 145 145 ASP C C 175.999 . 1 1380 145 145 ASP CA C 53.977 . 1 1381 145 145 ASP CB C 43.420 . 1 1382 145 145 ASP N N 124.034 . 1 1383 146 146 GLY H H 8.773 . 1 1384 146 146 GLY HA2 H 3.918 . 2 1385 146 146 GLY HA3 H 4.111 . 2 1386 146 146 GLY C C 174.915 . 1 1387 146 146 GLY CA C 47.182 . 1 1388 146 146 GLY N N 115.294 . 1 1389 147 147 ASN H H 8.839 . 1 1390 147 147 ASN HA H 4.638 . 1 1391 147 147 ASN HB2 H 2.906 . 2 1392 147 147 ASN HB3 H 2.929 . 2 1393 147 147 ASN C C 174.266 . 1 1394 147 147 ASN CA C 53.819 . 1 1395 147 147 ASN CB C 38.695 . 1 1396 147 147 ASN N N 120.663 . 1 1397 148 148 MET H H 7.956 . 1 1398 148 148 MET HA H 4.673 . 1 1399 148 148 MET HB2 H 2.123 . 2 1400 148 148 MET HB3 H 1.976 . 2 1401 148 148 MET HG2 H 2.428 . 1 1402 148 148 MET HG3 H 2.428 . 1 1403 148 148 MET C C 174.137 . 1 1404 148 148 MET CA C 54.571 . 1 1405 148 148 MET CB C 35.174 . 1 1406 148 148 MET CG C 31.847 . 1 1407 148 148 MET N N 118.340 . 1 1408 149 149 ASN H H 8.494 . 1 1409 149 149 ASN HA H 5.139 . 1 1410 149 149 ASN HB2 H 2.607 . 2 1411 149 149 ASN HB3 H 2.449 . 2 1412 149 149 ASN C C 174.820 . 1 1413 149 149 ASN CA C 52.731 . 1 1414 149 149 ASN CB C 40.494 . 1 1415 149 149 ASN N N 120.884 . 1 1416 150 150 HIS H H 9.008 . 1 1417 150 150 HIS HA H 4.856 . 1 1418 150 150 HIS HB2 H 3.245 . 2 1419 150 150 HIS HB3 H 2.922 . 2 1420 150 150 HIS C C 174.573 . 1 1421 150 150 HIS CA C 54.763 . 1 1422 150 150 HIS CB C 32.254 . 1 1423 150 150 HIS N N 122.175 . 1 1424 151 151 THR H H 8.974 . 1 1425 151 151 THR HA H 4.768 . 1 1426 151 151 THR HB H 3.689 . 1 1427 151 151 THR HG2 H 0.580 . 1 1428 151 151 THR C C 172.985 . 1 1429 151 151 THR CA C 63.019 . 1 1430 151 151 THR CB C 69.143 . 1 1431 151 151 THR CG2 C 21.830 . 1 1432 151 151 THR N N 121.863 . 1 1433 152 152 VAL H H 8.983 . 1 1434 152 152 VAL HA H 4.653 . 1 1435 152 152 VAL HB H 1.810 . 1 1436 152 152 VAL HG1 H 0.802 . 1 1437 152 152 VAL HG2 H 0.802 . 1 1438 152 152 VAL C C 172.842 . 1 1439 152 152 VAL CA C 60.906 . 1 1440 152 152 VAL CB C 34.644 . 1 1441 152 152 VAL CG1 C 23.904 . 1 1442 152 152 VAL CG2 C 23.904 . 1 1443 152 152 VAL N N 126.631 . 1 1444 153 153 TYR H H 8.616 . 1 1445 153 153 TYR HA H 4.648 . 1 1446 153 153 TYR HB2 H 2.985 . 2 1447 153 153 TYR HB3 H 2.588 . 2 1448 153 153 TYR HD1 H 6.794 . 1 1449 153 153 TYR HD2 H 6.794 . 1 1450 153 153 TYR HE1 H 6.525 . 1 1451 153 153 TYR HE2 H 6.525 . 1 1452 153 153 TYR C C 174.122 . 1 1453 153 153 TYR CA C 57.471 . 1 1454 153 153 TYR CB C 43.067 . 1 1455 153 153 TYR CD1 C 133.443 . 1 1456 153 153 TYR CD2 C 133.443 . 1 1457 153 153 TYR CE1 C 118.039 . 1 1458 153 153 TYR CE2 C 118.039 . 1 1459 153 153 TYR N N 124.335 . 1 1460 154 154 LEU H H 8.377 . 1 1461 154 154 LEU HA H 5.305 . 1 1462 154 154 LEU HB2 H 1.787 . 2 1463 154 154 LEU HB3 H 1.122 . 2 1464 154 154 LEU HG H 1.317 . 1 1465 154 154 LEU HD1 H 0.829 . 2 1466 154 154 LEU HD2 H 0.875 . 2 1467 154 154 LEU C C 174.151 . 1 1468 154 154 LEU CA C 53.615 . 1 1469 154 154 LEU CB C 45.134 . 1 1470 154 154 LEU CG C 28.329 . 1 1471 154 154 LEU CD1 C 26.443 . 2 1472 154 154 LEU CD2 C 24.064 . 2 1473 154 154 LEU N N 122.590 . 1 1474 155 155 TYR H H 10.030 . 1 1475 155 155 TYR HA H 5.048 . 1 1476 155 155 TYR HB2 H 2.921 . 2 1477 155 155 TYR HB3 H 3.010 . 2 1478 155 155 TYR C C 174.244 . 1 1479 155 155 TYR CA C 56.227 . 1 1480 155 155 TYR CB C 41.997 . 1 1481 155 155 TYR N N 125.478 . 1 1482 156 156 VAL H H 8.697 . 1 1483 156 156 VAL HA H 4.755 . 1 1484 156 156 VAL HB H 1.799 . 1 1485 156 156 VAL HG1 H 0.874 . 2 1486 156 156 VAL HG2 H 0.809 . 2 1487 156 156 VAL C C 176.335 . 1 1488 156 156 VAL CA C 61.014 . 1 1489 156 156 VAL CB C 34.280 . 1 1490 156 156 VAL CG1 C 21.520 . 1 1491 156 156 VAL CG2 C 21.520 . 1 1492 156 156 VAL N N 121.360 . 1 1493 157 157 ILE H H 8.706 . 1 1494 157 157 ILE HA H 3.679 . 1 1495 157 157 ILE HB H 2.062 . 1 1496 157 157 ILE HG12 H 1.394 . 2 1497 157 157 ILE HG13 H 1.103 . 2 1498 157 157 ILE HG2 H 0.613 . 1 1499 157 157 ILE HD1 H 0.043 . 1 1500 157 157 ILE C C 178.007 . 1 1501 157 157 ILE CA C 59.955 . 1 1502 157 157 ILE CB C 34.333 . 1 1503 157 157 ILE CG1 C 26.307 . 1 1504 157 157 ILE CG2 C 16.961 . 1 1505 157 157 ILE CD1 C 8.160 . 1 1506 157 157 ILE N N 127.605 . 1 1507 158 158 GLY H H 10.444 . 1 1508 158 158 GLY HA2 H 4.581 . 2 1509 158 158 GLY HA3 H 3.881 . 2 1510 158 158 GLY C C 174.333 . 1 1511 158 158 GLY CA C 44.901 . 1 1512 158 158 GLY N N 122.410 . 1 1513 159 159 GLU H H 8.414 . 1 1514 159 159 GLU HA H 4.636 . 1 1515 159 159 GLU HB2 H 1.869 . 2 1516 159 159 GLU HB3 H 2.344 . 2 1517 159 159 GLU HG2 H 2.196 . 1 1518 159 159 GLU HG3 H 2.196 . 1 1519 159 159 GLU C C 176.785 . 1 1520 159 159 GLU CA C 55.468 . 1 1521 159 159 GLU CB C 30.604 . 1 1522 159 159 GLU CG C 35.781 . 1 1523 159 159 GLU N N 120.702 . 1 1524 160 160 HIS H H 8.463 . 1 1525 160 160 HIS HA H 4.984 . 1 1526 160 160 HIS HB2 H 2.629 . 2 1527 160 160 HIS HB3 H 2.727 . 2 1528 160 160 HIS C C 174.509 . 1 1529 160 160 HIS CA C 57.497 . 1 1530 160 160 HIS CB C 30.346 . 1 1531 160 160 HIS N N 119.566 . 1 1532 161 161 LYS H H 7.423 . 1 1533 161 161 LYS HA H 4.403 . 1 1534 161 161 LYS HB2 H 1.385 . 2 1535 161 161 LYS HB3 H 1.605 . 2 1536 161 161 LYS HG2 H 0.818 . 1 1537 161 161 LYS HG3 H 0.818 . 1 1538 161 161 LYS HD2 H 1.521 . 1 1539 161 161 LYS HD3 H 1.521 . 1 1540 161 161 LYS HE2 H 2.869 . 1 1541 161 161 LYS HE3 H 2.869 . 1 1542 161 161 LYS C C 175.830 . 1 1543 161 161 LYS CA C 55.161 . 1 1544 161 161 LYS CB C 33.348 . 1 1545 161 161 LYS CG C 24.047 . 1 1546 161 161 LYS CD C 28.895 . 1 1547 161 161 LYS CE C 42.060 . 1 1548 161 161 LYS N N 120.786 . 1 1549 162 162 ALA H H 8.155 . 1 1550 162 162 ALA HA H 4.238 . 1 1551 162 162 ALA HB H 1.355 . 1 1552 162 162 ALA C C 177.346 . 1 1553 162 162 ALA CA C 52.513 . 1 1554 162 162 ALA CB C 19.192 . 1 1555 162 162 ALA N N 125.012 . 1 1556 163 163 ALA H H 8.241 . 1 1557 163 163 ALA HA H 4.235 . 1 1558 163 163 ALA HB H 1.352 . 1 1559 163 163 ALA N N 123.604 . 1 1560 164 164 ALA H H 8.079 . 1 1561 164 164 ALA HA H 4.251 . 1 1562 164 164 ALA HB H 1.355 . 1 1563 164 164 ALA N N 122.714 . 1 1564 165 165 LEU H H 7.967 . 1 1565 165 165 LEU HA H 4.272 . 1 1566 165 165 LEU HB2 H 1.608 . 2 1567 165 165 LEU HB3 H 1.530 . 2 1568 165 165 LEU HG H 1.583 . 1 1569 165 165 LEU HD1 H 0.904 . 2 1570 165 165 LEU HD2 H 0.853 . 2 1571 165 165 LEU C C 177.343 . 1 1572 165 165 LEU CA C 55.233 . 1 1573 165 165 LEU CB C 42.421 . 1 1574 165 165 LEU CG C 27.076 . 1 1575 165 165 LEU CD1 C 24.751 . 2 1576 165 165 LEU CD2 C 23.408 . 2 1577 165 165 LEU N N 120.600 . 1 1578 166 166 GLU H H 8.101 . 1 1579 166 166 GLU HA H 4.205 . 1 1580 166 166 GLU HB2 H 1.903 . 1 1581 166 166 GLU HB3 H 1.903 . 1 1582 166 166 GLU HG2 H 2.191 . 1 1583 166 166 GLU HG3 H 2.191 . 1 1584 166 166 GLU C C 176.265 . 1 1585 166 166 GLU CA C 56.570 . 1 1586 166 166 GLU CB C 30.352 . 1 1587 166 166 GLU CG C 35.477 . 1 1588 166 166 GLU N N 120.951 . 1 stop_ save_