data_36288 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Gaussia Liciferase by NMR ; _BMRB_accession_number 36288 _BMRB_flat_file_name bmr36288.str _Entry_type original _Submission_date 2019-09-19 _Accession_date 2019-11-01 _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 Kobayashi N. . . 2 Yamazaki T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 908 "13C chemical shifts" 689 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-20 original BMRB . stop_ _Original_release_date 2019-11-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of Gaussia Liciferase by NMR ; _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 Wu N. . . 2 Kobayashi N. . . 3 Tsuda K. . . 4 Unzai S. . . 5 Saotome T. . . 6 Kuroda Y. . . 7 Yamazaki T. . . 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 Luciferase _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 entity_1 _Molecular_mass 18851.838 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; TGKPTENNEDFNIVAVASNF ATTDLDADRGKLPGKKLPLE VLKEMEANARKAGCTRGCLI CLSHIKCTPKMKKFIPGRCH TYEGDKESAQGGIGEAIVDI PAIPRFKDLEPMEQFIAQVD LCVDCTTGCLKGLANVQCSD LLKKWLPQRCATFASKIQGQ VDKIKGAGGDIEGR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . THR 2 . GLY 3 1 LYS 4 2 PRO 5 3 THR 6 4 GLU 7 5 ASN 8 6 ASN 9 7 GLU 10 8 ASP 11 9 PHE 12 10 ASN 13 11 ILE 14 12 VAL 15 13 ALA 16 14 VAL 17 15 ALA 18 16 SER 19 17 ASN 20 18 PHE 21 19 ALA 22 20 THR 23 21 THR 24 22 ASP 25 23 LEU 26 24 ASP 27 25 ALA 28 26 ASP 29 27 ARG 30 28 GLY 31 29 LYS 32 30 LEU 33 31 PRO 34 32 GLY 35 33 LYS 36 34 LYS 37 35 LEU 38 36 PRO 39 37 LEU 40 38 GLU 41 39 VAL 42 40 LEU 43 41 LYS 44 42 GLU 45 43 MET 46 44 GLU 47 45 ALA 48 46 ASN 49 47 ALA 50 48 ARG 51 49 LYS 52 50 ALA 53 51 GLY 54 52 CYS 55 53 THR 56 54 ARG 57 55 GLY 58 56 CYS 59 57 LEU 60 58 ILE 61 59 CYS 62 60 LEU 63 61 SER 64 62 HIS 65 63 ILE 66 64 LYS 67 65 CYS 68 66 THR 69 67 PRO 70 68 LYS 71 69 MET 72 70 LYS 73 71 LYS 74 72 PHE 75 73 ILE 76 74 PRO 77 75 GLY 78 76 ARG 79 77 CYS 80 78 HIS 81 79 THR 82 80 TYR 83 81 GLU 84 82 GLY 85 83 ASP 86 84 LYS 87 85 GLU 88 86 SER 89 87 ALA 90 88 GLN 91 89 GLY 92 90 GLY 93 91 ILE 94 92 GLY 95 93 GLU 96 94 ALA 97 95 ILE 98 96 VAL 99 97 ASP 100 98 ILE 101 99 PRO 102 100 ALA 103 101 ILE 104 102 PRO 105 103 ARG 106 104 PHE 107 105 LYS 108 106 ASP 109 107 LEU 110 108 GLU 111 109 PRO 112 110 MET 113 111 GLU 114 112 GLN 115 113 PHE 116 114 ILE 117 115 ALA 118 116 GLN 119 117 VAL 120 118 ASP 121 119 LEU 122 120 CYS 123 121 VAL 124 122 ASP 125 123 CYS 126 124 THR 127 125 THR 128 126 GLY 129 127 CYS 130 128 LEU 131 129 LYS 132 130 GLY 133 131 LEU 134 132 ALA 135 133 ASN 136 134 VAL 137 135 GLN 138 136 CYS 139 137 SER 140 138 ASP 141 139 LEU 142 140 LEU 143 141 LYS 144 142 LYS 145 143 TRP 146 144 LEU 147 145 PRO 148 146 GLN 149 147 ARG 150 148 CYS 151 149 ALA 152 150 THR 153 151 PHE 154 152 ALA 155 153 SER 156 154 LYS 157 155 ILE 158 156 GLN 159 157 GLY 160 158 GLN 161 159 VAL 162 160 ASP 163 161 LYS 164 162 ILE 165 163 LYS 166 164 GLY 167 165 ALA 168 166 GLY 169 167 GLY 170 168 ASP 171 169 ILE 172 170 GLU 173 171 GLY 174 172 ARG 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 $entity_1 'Gaussia princeps' 148582 Eukaryota Metazoa Gaussia princeps 'T. Scott, 1894' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET21c stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.2 mM [U-100% 13C; U-100% 15N] GLuc, 8 % [U-2H] D2O, 50 mM MES, 2 mM sodium azide, 90 % H2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 13C; U-100% 15N]' MES 50 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.98 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name MAGRO _Version 2.01.33 loop_ _Vendor _Address _Electronic_address Kobayashi . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version 2017 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRView _Version 9.0 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TopSpin _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 700 _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(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 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' 50 . mM pH 6.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.771ppm at 293K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 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 1 3 LYS H H 8.334 0.030 1 2 1 3 LYS HA H 4.605 0.030 1 3 1 3 LYS HB2 H 1.800 0.030 1 4 1 3 LYS HB3 H 1.800 0.030 1 5 1 3 LYS HG2 H 1.423 0.030 1 6 1 3 LYS HG3 H 1.423 0.030 1 7 1 3 LYS HD2 H 1.658 0.030 1 8 1 3 LYS HD3 H 1.658 0.030 1 9 1 3 LYS HE2 H 2.959 0.030 1 10 1 3 LYS HE3 H 2.959 0.030 1 11 1 3 LYS C C 174.852 0.300 1 12 1 3 LYS CA C 54.364 0.300 1 13 1 3 LYS CB C 32.774 0.300 1 14 1 3 LYS CG C 24.713 0.300 1 15 1 3 LYS CE C 41.993 0.300 1 16 1 3 LYS N N 122.492 0.300 1 17 2 4 PRO HA H 4.456 0.030 1 18 2 4 PRO HB2 H 1.914 0.030 2 19 2 4 PRO HB3 H 2.296 0.030 2 20 2 4 PRO HG2 H 2.012 0.030 1 21 2 4 PRO HG3 H 2.012 0.030 1 22 2 4 PRO HD2 H 3.649 0.030 2 23 2 4 PRO HD3 H 3.828 0.030 2 24 2 4 PRO C C 177.086 0.300 1 25 2 4 PRO CA C 63.433 0.300 1 26 2 4 PRO CB C 32.081 0.300 1 27 2 4 PRO CG C 27.479 0.300 1 28 2 4 PRO CD C 50.693 0.300 1 29 3 5 THR H H 8.140 0.030 1 30 3 5 THR HA H 4.251 0.030 1 31 3 5 THR HB H 4.217 0.030 1 32 3 5 THR HG2 H 1.186 0.030 1 33 3 5 THR C C 174.595 0.300 1 34 3 5 THR CA C 62.000 0.300 1 35 3 5 THR CB C 69.678 0.300 1 36 3 5 THR CG2 C 21.660 0.300 1 37 3 5 THR N N 113.759 0.300 1 38 4 6 GLU H H 8.336 0.030 1 39 4 6 GLU HA H 4.128 0.030 1 40 4 6 GLU HB2 H 1.888 0.030 1 41 4 6 GLU HB3 H 1.888 0.030 1 42 4 6 GLU HG2 H 2.214 0.030 1 43 4 6 GLU HG3 H 2.214 0.030 1 44 4 6 GLU C C 175.840 0.300 1 45 4 6 GLU CA C 53.606 0.300 1 46 4 6 GLU CB C 30.332 0.300 1 47 4 6 GLU CG C 36.081 0.300 1 48 4 6 GLU N N 122.910 0.300 1 49 5 7 ASN H H 8.471 0.030 1 50 5 7 ASN HA H 4.660 0.030 1 51 5 7 ASN HB2 H 2.696 0.030 2 52 5 7 ASN HB3 H 2.767 0.030 2 53 5 7 ASN HD21 H 7.576 0.030 2 54 5 7 ASN HD22 H 6.714 0.030 2 55 5 7 ASN C C 174.809 0.300 1 56 5 7 ASN CA C 53.304 0.300 1 57 5 7 ASN CB C 38.952 0.300 1 58 5 7 ASN N N 119.824 0.300 1 59 5 7 ASN ND2 N 112.800 0.300 1 60 6 8 ASN H H 8.468 0.030 1 61 6 8 ASN HA H 4.658 0.030 1 62 6 8 ASN HB2 H 2.697 0.030 2 63 6 8 ASN HB3 H 2.765 0.030 2 64 6 8 ASN HD21 H 6.901 0.030 2 65 6 8 ASN HD22 H 7.568 0.030 2 66 6 8 ASN C C 175.067 0.300 1 67 6 8 ASN CA C 53.272 0.300 1 68 6 8 ASN CB C 38.970 0.300 1 69 6 8 ASN N N 119.792 0.300 1 70 6 8 ASN ND2 N 112.970 0.300 1 71 7 9 GLU H H 8.323 0.030 1 72 7 9 GLU HA H 4.279 0.030 1 73 7 9 GLU HG2 H 2.208 0.030 1 74 7 9 GLU HG3 H 2.208 0.030 1 75 7 9 GLU C C 175.755 0.300 1 76 7 9 GLU CA C 53.459 0.300 1 77 7 9 GLU CB C 30.284 0.300 1 78 7 9 GLU CG C 36.093 0.300 1 79 7 9 GLU N N 120.599 0.300 1 80 8 10 ASP H H 8.321 0.030 1 81 8 10 ASP HA H 4.583 0.030 1 82 8 10 ASP HB2 H 2.541 0.030 2 83 8 10 ASP HB3 H 2.645 0.030 2 84 8 10 ASP C C 175.100 0.300 1 85 8 10 ASP CA C 54.458 0.300 1 86 8 10 ASP CB C 41.731 0.300 1 87 8 10 ASP N N 120.643 0.300 1 88 9 11 PHE H H 7.572 0.030 1 89 9 11 PHE HA H 4.655 0.030 1 90 9 11 PHE HB2 H 2.897 0.030 2 91 9 11 PHE HB3 H 2.700 0.030 2 92 9 11 PHE HD1 H 6.853 0.030 1 93 9 11 PHE HD2 H 6.853 0.030 1 94 9 11 PHE HE1 H 7.146 0.030 1 95 9 11 PHE HE2 H 7.146 0.030 1 96 9 11 PHE HZ H 7.144 0.030 1 97 9 11 PHE C C 173.263 0.300 1 98 9 11 PHE CA C 53.200 0.300 1 99 9 11 PHE CB C 40.721 0.300 1 100 9 11 PHE CD1 C 131.662 0.300 1 101 9 11 PHE CD2 C 131.662 0.300 1 102 9 11 PHE CE1 C 131.165 0.300 1 103 9 11 PHE CE2 C 131.165 0.300 1 104 9 11 PHE CZ C 130.505 0.300 1 105 9 11 PHE N N 114.726 0.300 1 106 10 12 ASN H H 8.469 0.030 1 107 10 12 ASN HA H 4.751 0.030 1 108 10 12 ASN HB2 H 2.526 0.030 2 109 10 12 ASN HB3 H 2.925 0.030 2 110 10 12 ASN HD21 H 7.718 0.030 2 111 10 12 ASN HD22 H 6.827 0.030 2 112 10 12 ASN CA C 51.818 0.300 1 113 10 12 ASN CB C 39.309 0.300 1 114 10 12 ASN N N 119.827 0.300 1 115 10 12 ASN ND2 N 113.143 0.300 1 116 11 13 ILE H H 9.157 0.030 1 117 11 13 ILE HA H 4.090 0.030 1 118 11 13 ILE HB H 1.974 0.030 1 119 11 13 ILE HG12 H 1.209 0.030 2 120 11 13 ILE HG13 H 1.409 0.030 2 121 11 13 ILE HG2 H 1.112 0.030 1 122 11 13 ILE HD1 H 0.867 0.030 1 123 11 13 ILE C C 174.809 0.300 1 124 11 13 ILE CA C 61.209 0.300 1 125 11 13 ILE CB C 38.807 0.300 1 126 11 13 ILE CG1 C 29.524 0.300 1 127 11 13 ILE CG2 C 19.744 0.300 1 128 11 13 ILE CD1 C 14.387 0.300 1 129 11 13 ILE N N 124.113 0.300 1 130 12 14 VAL H H 7.607 0.030 1 131 12 14 VAL HA H 3.459 0.030 1 132 12 14 VAL HB H 3.384 0.030 1 133 12 14 VAL HG1 H 0.765 0.030 2 134 12 14 VAL HG2 H 0.882 0.030 2 135 12 14 VAL C C 178.375 0.300 1 136 12 14 VAL CA C 66.486 0.300 1 137 12 14 VAL CB C 31.939 0.300 1 138 12 14 VAL CG1 C 21.519 0.300 2 139 12 14 VAL CG2 C 23.704 0.300 2 140 12 14 VAL N N 121.950 0.300 1 141 13 15 ALA H H 7.541 0.030 1 142 13 15 ALA HA H 3.852 0.030 1 143 13 15 ALA HB H 1.405 0.030 1 144 13 15 ALA C C 178.934 0.300 1 145 13 15 ALA CA C 55.312 0.300 1 146 13 15 ALA CB C 18.182 0.300 1 147 13 15 ALA N N 124.336 0.300 1 148 14 16 VAL H H 7.804 0.030 1 149 14 16 VAL HA H 3.736 0.030 1 150 14 16 VAL HB H 2.008 0.030 1 151 14 16 VAL HG1 H 0.933 0.030 2 152 14 16 VAL HG2 H 1.065 0.030 2 153 14 16 VAL C C 178.031 0.300 1 154 14 16 VAL CA C 66.734 0.300 1 155 14 16 VAL CB C 32.470 0.300 1 156 14 16 VAL CG1 C 22.868 0.300 2 157 14 16 VAL CG2 C 23.155 0.300 2 158 14 16 VAL N N 115.527 0.300 1 159 15 17 ALA H H 8.614 0.030 1 160 15 17 ALA HA H 4.070 0.030 1 161 15 17 ALA HB H 1.408 0.030 1 162 15 17 ALA C C 180.695 0.300 1 163 15 17 ALA CA C 55.508 0.300 1 164 15 17 ALA CB C 18.164 0.300 1 165 15 17 ALA N N 119.119 0.300 1 166 16 18 SER H H 8.081 0.030 1 167 16 18 SER HA H 4.075 0.030 1 168 16 18 SER HB2 H 3.148 0.030 2 169 16 18 SER HB3 H 3.557 0.030 2 170 16 18 SER C C 174.895 0.300 1 171 16 18 SER CA C 62.453 0.300 1 172 16 18 SER CB C 62.233 0.300 1 173 16 18 SER N N 113.018 0.300 1 174 17 19 ASN H H 7.774 0.030 1 175 17 19 ASN HA H 5.194 0.030 1 176 17 19 ASN HB2 H 2.629 0.030 2 177 17 19 ASN HB3 H 2.973 0.030 2 178 17 19 ASN HD21 H 7.549 0.030 2 179 17 19 ASN HD22 H 7.161 0.030 2 180 17 19 ASN C C 174.809 0.300 1 181 17 19 ASN CA C 54.210 0.300 1 182 17 19 ASN CB C 38.097 0.300 1 183 17 19 ASN N N 118.469 0.300 1 184 17 19 ASN ND2 N 112.485 0.300 1 185 18 20 PHE H H 7.706 0.030 1 186 18 20 PHE HA H 4.253 0.030 1 187 18 20 PHE HB2 H 2.673 0.030 2 188 18 20 PHE HB3 H 3.145 0.030 2 189 18 20 PHE HD1 H 7.609 0.030 1 190 18 20 PHE HD2 H 7.609 0.030 1 191 18 20 PHE HE1 H 7.340 0.030 1 192 18 20 PHE HE2 H 7.340 0.030 1 193 18 20 PHE HZ H 7.185 0.030 1 194 18 20 PHE C C 175.110 0.300 1 195 18 20 PHE CA C 59.362 0.300 1 196 18 20 PHE CB C 40.428 0.300 1 197 18 20 PHE CD1 C 131.777 0.300 1 198 18 20 PHE CD2 C 131.777 0.300 1 199 18 20 PHE CE1 C 130.631 0.300 1 200 18 20 PHE CE2 C 130.631 0.300 1 201 18 20 PHE CZ C 130.355 0.300 1 202 18 20 PHE N N 115.600 0.300 1 203 19 21 ALA H H 7.615 0.030 1 204 19 21 ALA HA H 4.594 0.030 1 205 19 21 ALA HB H 1.520 0.030 1 206 19 21 ALA C C 177.731 0.300 1 207 19 21 ALA CA C 52.441 0.300 1 208 19 21 ALA CB C 19.834 0.300 1 209 19 21 ALA N N 122.769 0.300 1 210 20 22 THR H H 8.295 0.030 1 211 20 22 THR HA H 4.297 0.030 1 212 20 22 THR HB H 4.316 0.030 1 213 20 22 THR HG2 H 1.198 0.030 1 214 20 22 THR C C 174.724 0.300 1 215 20 22 THR CA C 62.491 0.300 1 216 20 22 THR CB C 69.256 0.300 1 217 20 22 THR CG2 C 22.100 0.300 1 218 20 22 THR N N 112.703 0.300 1 219 21 23 THR H H 7.820 0.030 1 220 21 23 THR HA H 4.414 0.030 1 221 21 23 THR HB H 4.147 0.030 1 222 21 23 THR HG2 H 1.154 0.030 1 223 21 23 THR C C 173.564 0.300 1 224 21 23 THR CA C 61.189 0.300 1 225 21 23 THR CB C 70.338 0.300 1 226 21 23 THR CG2 C 21.500 0.300 1 227 21 23 THR N N 114.528 0.300 1 228 22 24 ASP H H 8.411 0.030 1 229 22 24 ASP HA H 4.579 0.030 1 230 22 24 ASP HB2 H 2.591 0.030 1 231 22 24 ASP HB3 H 2.591 0.030 1 232 22 24 ASP C C 176.356 0.300 1 233 22 24 ASP CA C 54.415 0.300 1 234 22 24 ASP CB C 41.094 0.300 1 235 22 24 ASP N N 122.165 0.300 1 236 23 25 LEU H H 8.276 0.030 1 237 23 25 LEU HA H 4.273 0.030 1 238 23 25 LEU HB2 H 1.570 0.030 1 239 23 25 LEU HB3 H 1.570 0.030 1 240 23 25 LEU HD1 H 0.795 0.030 2 241 23 25 LEU HD2 H 0.850 0.030 2 242 23 25 LEU C C 177.301 0.300 1 243 23 25 LEU CA C 56.018 0.300 1 244 23 25 LEU CB C 41.919 0.300 1 245 23 25 LEU CD1 C 23.704 0.300 2 246 23 25 LEU CD2 C 25.100 0.300 2 247 23 25 LEU N N 122.894 0.300 1 248 24 26 ASP H H 8.290 0.030 1 249 24 26 ASP HA H 4.482 0.030 1 250 24 26 ASP HB2 H 2.660 0.030 1 251 24 26 ASP HB3 H 2.660 0.030 1 252 24 26 ASP C C 176.915 0.300 1 253 24 26 ASP CA C 55.328 0.300 1 254 24 26 ASP CB C 40.970 0.300 1 255 24 26 ASP N N 119.550 0.300 1 256 25 27 ALA H H 8.062 0.030 1 257 25 27 ALA HA H 4.156 0.030 1 258 25 27 ALA HB H 1.367 0.030 1 259 25 27 ALA C C 178.418 0.300 1 260 25 27 ALA CA C 53.674 0.300 1 261 25 27 ALA CB C 19.017 0.300 1 262 25 27 ALA N N 123.434 0.300 1 263 26 28 ASP H H 8.167 0.030 1 264 26 28 ASP HA H 4.580 0.030 1 265 26 28 ASP HB2 H 2.760 0.030 1 266 26 28 ASP HB3 H 2.760 0.030 1 267 26 28 ASP C C 177.344 0.300 1 268 26 28 ASP CA C 55.192 0.300 1 269 26 28 ASP CB C 41.210 0.300 1 270 26 28 ASP N N 117.738 0.300 1 271 27 29 ARG H H 8.167 0.030 1 272 27 29 ARG HA H 4.112 0.030 1 273 27 29 ARG HB2 H 1.774 0.030 2 274 27 29 ARG HB3 H 1.891 0.030 2 275 27 29 ARG HD2 H 3.188 0.030 1 276 27 29 ARG HD3 H 3.188 0.030 1 277 27 29 ARG HE H 7.342 0.030 1 278 27 29 ARG C C 177.215 0.300 1 279 27 29 ARG CA C 57.496 0.300 1 280 27 29 ARG CB C 30.231 0.300 1 281 27 29 ARG CG C 29.470 0.300 1 282 27 29 ARG CD C 43.384 0.300 1 283 27 29 ARG N N 120.504 0.300 1 284 27 29 ARG NE N 84.244 0.300 1 285 28 30 GLY H H 8.325 0.030 1 286 28 30 GLY HA2 H 3.859 0.030 1 287 28 30 GLY HA3 H 3.859 0.030 1 288 28 30 GLY C C 174.122 0.300 1 289 28 30 GLY CA C 45.613 0.300 1 290 28 30 GLY N N 107.251 0.300 1 291 29 31 LYS H H 7.764 0.030 1 292 29 31 LYS HA H 4.343 0.030 1 293 29 31 LYS HB2 H 1.901 0.030 1 294 29 31 LYS HB3 H 1.901 0.030 1 295 29 31 LYS HG2 H 0.909 0.030 1 296 29 31 LYS HG3 H 0.909 0.030 1 297 29 31 LYS C C 176.442 0.300 1 298 29 31 LYS CA C 55.986 0.300 1 299 29 31 LYS CB C 33.063 0.300 1 300 29 31 LYS CD C 27.317 0.300 1 301 29 31 LYS N N 119.207 0.300 1 302 30 32 LEU H H 8.031 0.030 1 303 30 32 LEU HA H 4.627 0.030 1 304 30 32 LEU HB2 H 1.658 0.030 1 305 30 32 LEU HB3 H 1.658 0.030 1 306 30 32 LEU HD1 H 0.939 0.030 2 307 30 32 LEU HD2 H 0.899 0.030 2 308 30 32 LEU C C 175.300 0.300 1 309 30 32 LEU CA C 52.975 0.300 1 310 30 32 LEU CB C 41.704 0.300 1 311 30 32 LEU CD1 C 23.369 0.300 2 312 30 32 LEU CD2 C 25.576 0.300 2 313 30 32 LEU N N 122.838 0.300 1 314 31 33 PRO HA H 4.415 0.030 1 315 31 33 PRO HB2 H 2.296 0.030 1 316 31 33 PRO HB3 H 2.296 0.030 1 317 31 33 PRO HG2 H 2.010 0.030 1 318 31 33 PRO HG3 H 2.010 0.030 1 319 31 33 PRO HD2 H 3.622 0.030 2 320 31 33 PRO HD3 H 3.852 0.030 2 321 31 33 PRO C C 177.800 0.300 1 322 31 33 PRO CA C 63.535 0.300 1 323 31 33 PRO CB C 31.997 0.300 1 324 31 33 PRO CG C 27.460 0.300 1 325 31 33 PRO CD C 50.604 0.300 1 326 32 34 GLY H H 8.613 0.030 1 327 32 34 GLY HA2 H 3.913 0.030 2 328 32 34 GLY HA3 H 3.934 0.030 2 329 32 34 GLY C C 173.907 0.300 1 330 32 34 GLY CA C 45.664 0.300 1 331 32 34 GLY N N 110.579 0.300 1 332 33 35 LYS H H 8.147 0.030 1 333 33 35 LYS HA H 4.283 0.030 1 334 33 35 LYS HB2 H 1.872 0.030 1 335 33 35 LYS HB3 H 1.872 0.030 1 336 33 35 LYS C C 175.883 0.300 1 337 33 35 LYS CA C 56.204 0.300 1 338 33 35 LYS CB C 32.408 0.300 1 339 33 35 LYS N N 118.601 0.300 1 340 34 36 LYS H H 7.878 0.030 1 341 34 36 LYS HA H 4.357 0.030 1 342 34 36 LYS HB2 H 1.672 0.030 1 343 34 36 LYS HB3 H 1.672 0.030 1 344 34 36 LYS HG2 H 0.848 0.030 1 345 34 36 LYS HG3 H 0.848 0.030 1 346 34 36 LYS C C 175.883 0.300 1 347 34 36 LYS CA C 55.778 0.300 1 348 34 36 LYS CB C 33.441 0.300 1 349 34 36 LYS CG C 25.708 0.300 1 350 34 36 LYS N N 120.065 0.300 1 351 35 37 LEU H H 8.283 0.030 1 352 35 37 LEU HA H 4.184 0.030 1 353 35 37 LEU HB2 H 0.958 0.030 2 354 35 37 LEU HB3 H 1.670 0.030 2 355 35 37 LEU HG H 1.495 0.030 1 356 35 37 LEU HD1 H 0.850 0.030 2 357 35 37 LEU HD2 H 0.883 0.030 2 358 35 37 LEU C C 174.100 0.300 1 359 35 37 LEU CA C 52.538 0.300 1 360 35 37 LEU CB C 41.804 0.300 1 361 35 37 LEU CD1 C 26.038 0.300 2 362 35 37 LEU CD2 C 24.274 0.300 2 363 35 37 LEU N N 124.400 0.300 1 364 36 38 PRO HA H 4.285 0.030 1 365 36 38 PRO HB2 H 1.611 0.030 2 366 36 38 PRO HB3 H 2.188 0.030 2 367 36 38 PRO HG2 H 1.313 0.030 2 368 36 38 PRO HG3 H 1.029 0.030 2 369 36 38 PRO HD2 H 3.995 0.030 2 370 36 38 PRO HD3 H 4.115 0.030 2 371 36 38 PRO C C 177.344 0.300 1 372 36 38 PRO CA C 62.219 0.300 1 373 36 38 PRO CB C 32.372 0.300 1 374 36 38 PRO CG C 26.839 0.300 1 375 36 38 PRO CD C 50.479 0.300 1 376 37 39 LEU H H 8.600 0.030 1 377 37 39 LEU HA H 3.889 0.030 1 378 37 39 LEU HB2 H 1.580 0.030 2 379 37 39 LEU HB3 H 1.623 0.030 2 380 37 39 LEU HG H 1.600 0.030 1 381 37 39 LEU HD1 H 0.921 0.030 2 382 37 39 LEU HD2 H 0.880 0.030 2 383 37 39 LEU C C 178.547 0.300 1 384 37 39 LEU CA C 58.258 0.300 1 385 37 39 LEU CB C 41.715 0.300 1 386 37 39 LEU CG C 26.748 0.300 1 387 37 39 LEU CD1 C 23.934 0.300 2 388 37 39 LEU CD2 C 24.544 0.300 2 389 37 39 LEU N N 124.584 0.300 1 390 38 40 GLU H H 9.424 0.030 1 391 38 40 GLU HA H 3.871 0.030 1 392 38 40 GLU HB2 H 1.926 0.030 2 393 38 40 GLU HB3 H 1.883 0.030 2 394 38 40 GLU HG2 H 2.258 0.030 1 395 38 40 GLU HG3 H 2.258 0.030 1 396 38 40 GLU C C 179.363 0.300 1 397 38 40 GLU CA C 60.023 0.300 1 398 38 40 GLU CB C 28.732 0.300 1 399 38 40 GLU CG C 36.233 0.300 1 400 38 40 GLU N N 115.481 0.300 1 401 39 41 VAL H H 7.175 0.030 1 402 39 41 VAL HA H 3.448 0.030 1 403 39 41 VAL HB H 1.924 0.030 1 404 39 41 VAL HG1 H 0.768 0.030 2 405 39 41 VAL HG2 H 0.516 0.030 2 406 39 41 VAL C C 176.829 0.300 1 407 39 41 VAL CA C 65.649 0.300 1 408 39 41 VAL CB C 31.096 0.300 1 409 39 41 VAL CG1 C 21.442 0.300 2 410 39 41 VAL CG2 C 23.650 0.300 2 411 39 41 VAL N N 119.152 0.300 1 412 40 42 LEU H H 7.114 0.030 1 413 40 42 LEU HA H 3.795 0.030 1 414 40 42 LEU HB2 H 1.581 0.030 2 415 40 42 LEU HB3 H 1.825 0.030 2 416 40 42 LEU HD1 H 0.795 0.030 2 417 40 42 LEU HD2 H 0.807 0.030 2 418 40 42 LEU C C 179.879 0.300 1 419 40 42 LEU CA C 58.713 0.300 1 420 40 42 LEU CB C 40.704 0.300 1 421 40 42 LEU CD1 C 24.039 0.300 2 422 40 42 LEU CD2 C 25.345 0.300 2 423 40 42 LEU N N 120.747 0.300 1 424 41 43 LYS H H 8.519 0.030 1 425 41 43 LYS HA H 3.983 0.030 1 426 41 43 LYS HB2 H 1.796 0.030 1 427 41 43 LYS HB3 H 1.796 0.030 1 428 41 43 LYS HG2 H 1.403 0.030 2 429 41 43 LYS HG3 H 1.547 0.030 2 430 41 43 LYS HE2 H 2.944 0.030 1 431 41 43 LYS HE3 H 2.944 0.030 1 432 41 43 LYS C C 179.664 0.300 1 433 41 43 LYS CA C 59.173 0.300 1 434 41 43 LYS CB C 31.573 0.300 1 435 41 43 LYS CG C 25.270 0.300 1 436 41 43 LYS N N 117.338 0.300 1 437 42 44 GLU H H 7.561 0.030 1 438 42 44 GLU HA H 4.176 0.030 1 439 42 44 GLU HB2 H 2.157 0.030 2 440 42 44 GLU HB3 H 2.053 0.030 2 441 42 44 GLU C C 178.633 0.300 1 442 42 44 GLU CA C 59.568 0.300 1 443 42 44 GLU CB C 29.367 0.300 1 444 42 44 GLU N N 121.948 0.300 1 445 43 45 MET H H 8.272 0.030 1 446 43 45 MET HA H 4.059 0.030 1 447 43 45 MET HB2 H 2.388 0.030 2 448 43 45 MET HB3 H 2.737 0.030 2 449 43 45 MET HG2 H 1.952 0.030 2 450 43 45 MET HG3 H 2.145 0.030 2 451 43 45 MET HE H 1.874 0.030 1 452 43 45 MET C C 179.320 0.300 1 453 43 45 MET CA C 59.222 0.300 1 454 43 45 MET CB C 33.128 0.300 1 455 43 45 MET CG C 33.597 0.300 1 456 43 45 MET CE C 17.103 0.300 1 457 43 45 MET N N 118.577 0.300 1 458 44 46 GLU H H 8.503 0.030 1 459 44 46 GLU HA H 3.765 0.030 1 460 44 46 GLU HB2 H 2.139 0.030 1 461 44 46 GLU HB3 H 2.139 0.030 1 462 44 46 GLU HG2 H 2.144 0.030 2 463 44 46 GLU HG3 H 2.476 0.030 2 464 44 46 GLU C C 178.246 0.300 1 465 44 46 GLU CA C 60.178 0.300 1 466 44 46 GLU CB C 29.393 0.300 1 467 44 46 GLU CG C 36.787 0.300 1 468 44 46 GLU N N 120.140 0.300 1 469 45 47 ALA H H 8.284 0.030 1 470 45 47 ALA HA H 4.056 0.030 1 471 45 47 ALA HB H 1.536 0.030 1 472 45 47 ALA C C 180.824 0.300 1 473 45 47 ALA CA C 55.390 0.300 1 474 45 47 ALA CB C 17.771 0.300 1 475 45 47 ALA N N 123.003 0.300 1 476 46 48 ASN H H 8.414 0.030 1 477 46 48 ASN HA H 4.405 0.030 1 478 46 48 ASN HB2 H 2.779 0.030 2 479 46 48 ASN HB3 H 2.981 0.030 2 480 46 48 ASN HD21 H 7.193 0.030 2 481 46 48 ASN HD22 H 7.743 0.030 2 482 46 48 ASN C C 178.117 0.300 1 483 46 48 ASN CA C 55.700 0.300 1 484 46 48 ASN CB C 37.826 0.300 1 485 46 48 ASN N N 118.382 0.300 1 486 46 48 ASN ND2 N 112.159 0.300 1 487 47 49 ALA H H 8.008 0.030 1 488 47 49 ALA HA H 3.923 0.030 1 489 47 49 ALA HB H 1.359 0.030 1 490 47 49 ALA C C 179.277 0.300 1 491 47 49 ALA CA C 55.099 0.300 1 492 47 49 ALA CB C 17.541 0.300 1 493 47 49 ALA N N 123.939 0.300 1 494 48 50 ARG H H 8.417 0.030 1 495 48 50 ARG HA H 4.262 0.030 1 496 48 50 ARG HB2 H 1.934 0.030 1 497 48 50 ARG HB3 H 1.934 0.030 1 498 48 50 ARG HG2 H 1.763 0.030 1 499 48 50 ARG HG3 H 1.763 0.030 1 500 48 50 ARG HD2 H 3.216 0.030 1 501 48 50 ARG HD3 H 3.216 0.030 1 502 48 50 ARG HE H 7.458 0.030 1 503 48 50 ARG C C 181.211 0.300 1 504 48 50 ARG CA C 59.342 0.300 1 505 48 50 ARG CB C 29.825 0.300 1 506 48 50 ARG CG C 27.583 0.300 1 507 48 50 ARG CD C 43.270 0.300 1 508 48 50 ARG N N 119.831 0.300 1 509 48 50 ARG NE N 84.312 0.300 1 510 49 51 LYS H H 8.309 0.030 1 511 49 51 LYS HA H 4.032 0.030 1 512 49 51 LYS HB2 H 1.930 0.030 1 513 49 51 LYS HB3 H 1.930 0.030 1 514 49 51 LYS HG2 H 1.489 0.030 1 515 49 51 LYS HG3 H 1.489 0.030 1 516 49 51 LYS HE2 H 2.947 0.030 1 517 49 51 LYS HE3 H 2.947 0.030 1 518 49 51 LYS C C 177.645 0.300 1 519 49 51 LYS CA C 59.196 0.300 1 520 49 51 LYS CB C 32.207 0.300 1 521 49 51 LYS CG C 25.576 0.300 1 522 49 51 LYS CE C 42.095 0.300 1 523 49 51 LYS N N 122.047 0.300 1 524 50 52 ALA H H 7.304 0.030 1 525 50 52 ALA HA H 4.261 0.030 1 526 50 52 ALA HB H 1.573 0.030 1 527 50 52 ALA C C 176.657 0.300 1 528 50 52 ALA CA C 52.547 0.300 1 529 50 52 ALA CB C 18.677 0.300 1 530 50 52 ALA N N 119.554 0.300 1 531 51 53 GLY H H 7.739 0.030 1 532 51 53 GLY HA2 H 3.648 0.030 2 533 51 53 GLY HA3 H 4.323 0.030 2 534 51 53 GLY C C 175.540 0.300 1 535 51 53 GLY CA C 44.474 0.300 1 536 51 53 GLY N N 103.163 0.300 1 537 52 54 CYS H H 8.135 0.030 1 538 52 54 CYS HA H 4.796 0.030 1 539 52 54 CYS HB2 H 2.457 0.030 1 540 52 54 CYS HB3 H 2.457 0.030 1 541 52 54 CYS C C 174.380 0.300 1 542 52 54 CYS CA C 53.900 0.300 1 543 52 54 CYS CB C 41.505 0.300 1 544 52 54 CYS N N 118.767 0.300 1 545 53 55 THR H H 7.788 0.030 1 546 53 55 THR HA H 4.503 0.030 1 547 53 55 THR HB H 4.594 0.030 1 548 53 55 THR HG2 H 1.304 0.030 1 549 53 55 THR C C 175.153 0.300 1 550 53 55 THR CA C 59.404 0.300 1 551 53 55 THR CB C 70.987 0.300 1 552 53 55 THR CG2 C 22.438 0.300 1 553 53 55 THR N N 115.366 0.300 1 554 54 56 ARG H H 9.094 0.030 1 555 54 56 ARG HA H 3.651 0.030 1 556 54 56 ARG HB2 H 1.765 0.030 2 557 54 56 ARG HB3 H 1.880 0.030 2 558 54 56 ARG HD2 H 3.218 0.030 1 559 54 56 ARG HD3 H 3.218 0.030 1 560 54 56 ARG HE H 7.545 0.030 1 561 54 56 ARG C C 177.903 0.300 1 562 54 56 ARG CA C 60.335 0.300 1 563 54 56 ARG CB C 29.470 0.300 1 564 54 56 ARG CD C 43.226 0.300 1 565 54 56 ARG N N 122.872 0.300 1 566 54 56 ARG NE N 84.304 0.300 1 567 55 57 GLY H H 8.667 0.030 1 568 55 57 GLY HA2 H 3.644 0.030 2 569 55 57 GLY HA3 H 3.864 0.030 2 570 55 57 GLY C C 177.301 0.300 1 571 55 57 GLY CA C 47.003 0.300 1 572 55 57 GLY N N 104.126 0.300 1 573 56 58 CYS H H 7.525 0.030 1 574 56 58 CYS HA H 4.197 0.030 1 575 56 58 CYS HB2 H 2.640 0.030 2 576 56 58 CYS HB3 H 3.026 0.030 2 577 56 58 CYS C C 174.809 0.300 1 578 56 58 CYS CA C 58.635 0.300 1 579 56 58 CYS CB C 38.628 0.300 1 580 56 58 CYS N N 119.484 0.300 1 581 57 59 LEU H H 7.738 0.030 1 582 57 59 LEU HA H 3.618 0.030 1 583 57 59 LEU HB2 H 0.514 0.030 2 584 57 59 LEU HB3 H 1.265 0.030 2 585 57 59 LEU HG H 1.451 0.030 1 586 57 59 LEU HD1 H 0.332 0.030 2 587 57 59 LEU HD2 H 0.558 0.030 2 588 57 59 LEU C C 179.406 0.300 1 589 57 59 LEU CA C 58.152 0.300 1 590 57 59 LEU CB C 40.738 0.300 1 591 57 59 LEU CG C 26.488 0.300 1 592 57 59 LEU CD1 C 25.207 0.300 2 593 57 59 LEU CD2 C 22.803 0.300 2 594 57 59 LEU N N 118.110 0.300 1 595 58 60 ILE H H 8.618 0.030 1 596 58 60 ILE HA H 3.482 0.030 1 597 58 60 ILE HB H 1.668 0.030 1 598 58 60 ILE HG12 H 0.975 0.030 2 599 58 60 ILE HG13 H 1.672 0.030 2 600 58 60 ILE HG2 H 0.800 0.030 1 601 58 60 ILE HD1 H 0.787 0.030 1 602 58 60 ILE C C 178.160 0.300 1 603 58 60 ILE CA C 65.396 0.300 1 604 58 60 ILE CB C 38.356 0.300 1 605 58 60 ILE CG1 C 29.403 0.300 1 606 58 60 ILE CG2 C 17.245 0.300 1 607 58 60 ILE CD1 C 13.862 0.300 1 608 58 60 ILE N N 119.267 0.300 1 609 59 61 CYS H H 7.367 0.030 1 610 59 61 CYS HA H 4.220 0.030 1 611 59 61 CYS HB2 H 3.190 0.030 2 612 59 61 CYS HB3 H 3.280 0.030 2 613 59 61 CYS C C 178.848 0.300 1 614 59 61 CYS CA C 60.959 0.300 1 615 59 61 CYS CB C 39.266 0.300 1 616 59 61 CYS N N 121.656 0.300 1 617 60 62 LEU H H 8.970 0.030 1 618 60 62 LEU HA H 4.124 0.030 1 619 60 62 LEU HB2 H 1.573 0.030 2 620 60 62 LEU HB3 H 1.902 0.030 2 621 60 62 LEU HG H 2.068 0.030 1 622 60 62 LEU HD1 H 0.461 0.030 2 623 60 62 LEU HD2 H 0.928 0.030 2 624 60 62 LEU C C 179.836 0.300 1 625 60 62 LEU CA C 57.380 0.300 1 626 60 62 LEU CB C 41.820 0.300 1 627 60 62 LEU CG C 25.969 0.300 1 628 60 62 LEU CD1 C 26.516 0.300 2 629 60 62 LEU CD2 C 22.853 0.300 2 630 60 62 LEU N N 120.239 0.300 1 631 61 63 SER H H 8.017 0.030 1 632 61 63 SER HA H 4.255 0.030 1 633 61 63 SER HB2 H 3.947 0.030 2 634 61 63 SER HB3 H 4.135 0.030 2 635 61 63 SER C C 174.380 0.300 1 636 61 63 SER CA C 60.659 0.300 1 637 61 63 SER CB C 63.203 0.300 1 638 61 63 SER N N 114.135 0.300 1 639 62 64 HIS H H 7.581 0.030 1 640 62 64 HIS HA H 4.877 0.030 1 641 62 64 HIS HB2 H 3.143 0.030 2 642 62 64 HIS HB3 H 3.606 0.030 2 643 62 64 HIS HD2 H 7.291 0.030 1 644 62 64 HIS HE1 H 8.595 0.030 1 645 62 64 HIS C C 173.993 0.300 1 646 62 64 HIS CA C 54.719 0.300 1 647 62 64 HIS CB C 29.233 0.300 1 648 62 64 HIS CD2 C 119.111 0.300 1 649 62 64 HIS CE1 C 136.005 0.300 1 650 62 64 HIS N N 117.209 0.300 1 651 63 65 ILE H H 7.181 0.030 1 652 63 65 ILE HA H 3.705 0.030 1 653 63 65 ILE HB H 1.894 0.030 1 654 63 65 ILE HG12 H 1.016 0.030 2 655 63 65 ILE HG13 H 1.939 0.030 2 656 63 65 ILE HG2 H 0.842 0.030 1 657 63 65 ILE HD1 H 0.777 0.030 1 658 63 65 ILE C C 175.669 0.300 1 659 63 65 ILE CA C 63.991 0.300 1 660 63 65 ILE CB C 37.795 0.300 1 661 63 65 ILE CG1 C 29.345 0.300 1 662 63 65 ILE CG2 C 16.533 0.300 1 663 63 65 ILE CD1 C 14.164 0.300 1 664 63 65 ILE N N 122.399 0.300 1 665 64 66 LYS H H 8.984 0.030 1 666 64 66 LYS HA H 4.588 0.030 1 667 64 66 LYS HB2 H 1.657 0.030 1 668 64 66 LYS HB3 H 1.657 0.030 1 669 64 66 LYS HD2 H 1.540 0.030 1 670 64 66 LYS HD3 H 1.540 0.030 1 671 64 66 LYS HE2 H 3.002 0.030 1 672 64 66 LYS HE3 H 3.002 0.030 1 673 64 66 LYS C C 175.669 0.300 1 674 64 66 LYS CA C 54.486 0.300 1 675 64 66 LYS CB C 35.231 0.300 1 676 64 66 LYS CD C 29.154 0.300 1 677 64 66 LYS CE C 41.725 0.300 1 678 64 66 LYS N N 128.398 0.300 1 679 65 67 CYS H H 8.682 0.030 1 680 65 67 CYS HA H 5.453 0.030 1 681 65 67 CYS HB2 H 2.876 0.030 2 682 65 67 CYS HB3 H 3.560 0.030 2 683 65 67 CYS C C 174.680 0.300 1 684 65 67 CYS CA C 56.257 0.300 1 685 65 67 CYS CB C 45.762 0.300 1 686 65 67 CYS N N 118.514 0.300 1 687 66 68 THR H H 8.103 0.030 1 688 66 68 THR HA H 4.704 0.030 1 689 66 68 THR HB H 4.873 0.030 1 690 66 68 THR HG1 H 6.047 0.030 1 691 66 68 THR HG2 H 1.448 0.030 1 692 66 68 THR C C 173.134 0.300 1 693 66 68 THR CA C 59.808 0.300 1 694 66 68 THR CB C 68.114 0.300 1 695 66 68 THR CG2 C 22.890 0.300 1 696 66 68 THR N N 118.060 0.300 1 697 67 69 PRO HA H 4.190 0.030 1 698 67 69 PRO HB2 H 1.954 0.030 1 699 67 69 PRO HB3 H 1.954 0.030 1 700 67 69 PRO HD2 H 2.335 0.030 2 701 67 69 PRO HD3 H 2.903 0.030 2 702 67 69 PRO C C 179.664 0.300 1 703 67 69 PRO CA C 66.578 0.300 1 704 67 69 PRO CB C 31.681 0.300 1 705 67 69 PRO CD C 49.728 0.300 1 706 68 70 LYS H H 8.596 0.030 1 707 68 70 LYS HA H 4.320 0.030 1 708 68 70 LYS HG2 H 1.431 0.030 1 709 68 70 LYS HG3 H 1.431 0.030 1 710 68 70 LYS HE2 H 2.962 0.030 1 711 68 70 LYS HE3 H 2.962 0.030 1 712 68 70 LYS C C 178.805 0.300 1 713 68 70 LYS CA C 59.598 0.300 1 714 68 70 LYS CB C 31.451 0.300 1 715 68 70 LYS CG C 22.748 0.300 1 716 68 70 LYS CE C 42.164 0.300 1 717 68 70 LYS N N 116.284 0.300 1 718 69 71 MET H H 7.789 0.030 1 719 69 71 MET HA H 3.949 0.030 1 720 69 71 MET HB2 H 1.762 0.030 1 721 69 71 MET HB3 H 1.762 0.030 1 722 69 71 MET HG2 H 2.624 0.030 2 723 69 71 MET HG3 H 2.988 0.030 2 724 69 71 MET HE H 2.362 0.030 1 725 69 71 MET C C 176.829 0.300 1 726 69 71 MET CA C 59.599 0.300 1 727 69 71 MET CB C 33.465 0.300 1 728 69 71 MET CG C 31.846 0.300 1 729 69 71 MET CE C 16.982 0.300 1 730 69 71 MET N N 122.242 0.300 1 731 70 72 LYS H H 8.338 0.030 1 732 70 72 LYS HA H 3.620 0.030 1 733 70 72 LYS HB2 H 1.788 0.030 1 734 70 72 LYS HB3 H 1.788 0.030 1 735 70 72 LYS HG2 H 1.342 0.030 2 736 70 72 LYS HG3 H 1.465 0.030 2 737 70 72 LYS HD2 H 1.934 0.030 2 738 70 72 LYS HD3 H 2.001 0.030 2 739 70 72 LYS HE2 H 2.887 0.030 1 740 70 72 LYS HE3 H 2.887 0.030 1 741 70 72 LYS C C 177.516 0.300 1 742 70 72 LYS CA C 59.725 0.300 1 743 70 72 LYS CB C 32.096 0.300 1 744 70 72 LYS CG C 26.344 0.300 1 745 70 72 LYS CD C 28.720 0.300 1 746 70 72 LYS N N 117.525 0.300 1 747 71 73 LYS H H 7.417 0.030 1 748 71 73 LYS HA H 3.887 0.030 1 749 71 73 LYS HB2 H 1.445 0.030 2 750 71 73 LYS HB3 H 1.559 0.030 2 751 71 73 LYS HG2 H 0.342 0.030 2 752 71 73 LYS HG3 H 0.825 0.030 2 753 71 73 LYS HD2 H 1.328 0.030 1 754 71 73 LYS HD3 H 1.328 0.030 1 755 71 73 LYS HE2 H 2.681 0.030 1 756 71 73 LYS HE3 H 2.681 0.030 1 757 71 73 LYS C C 177.774 0.300 1 758 71 73 LYS CA C 58.280 0.300 1 759 71 73 LYS CB C 33.254 0.300 1 760 71 73 LYS CG C 24.345 0.300 1 761 71 73 LYS CD C 29.065 0.300 1 762 71 73 LYS CE C 41.956 0.300 1 763 71 73 LYS N N 114.526 0.300 1 764 72 74 PHE H H 7.874 0.030 1 765 72 74 PHE HA H 4.569 0.030 1 766 72 74 PHE HB2 H 2.840 0.030 2 767 72 74 PHE HB3 H 3.267 0.030 2 768 72 74 PHE HD1 H 7.570 0.030 1 769 72 74 PHE HD2 H 7.570 0.030 1 770 72 74 PHE HE1 H 7.394 0.030 1 771 72 74 PHE HE2 H 7.394 0.030 1 772 72 74 PHE HZ H 7.324 0.030 1 773 72 74 PHE C C 176.871 0.300 1 774 72 74 PHE CA C 60.933 0.300 1 775 72 74 PHE CB C 41.045 0.300 1 776 72 74 PHE CD1 C 131.799 0.300 1 777 72 74 PHE CD2 C 131.799 0.300 1 778 72 74 PHE CE1 C 131.121 0.300 1 779 72 74 PHE CE2 C 131.121 0.300 1 780 72 74 PHE CZ C 129.751 0.300 1 781 72 74 PHE N N 114.315 0.300 1 782 73 75 ILE H H 8.860 0.030 1 783 73 75 ILE HA H 4.762 0.030 1 784 73 75 ILE HB H 1.821 0.030 1 785 73 75 ILE HG12 H 2.017 0.030 1 786 73 75 ILE HG13 H 2.017 0.030 1 787 73 75 ILE HG2 H 0.821 0.030 1 788 73 75 ILE HD1 H 0.733 0.030 1 789 73 75 ILE C C 172.575 0.300 1 790 73 75 ILE CA C 58.850 0.300 1 791 73 75 ILE CB C 38.632 0.300 1 792 73 75 ILE CG2 C 19.031 0.300 1 793 73 75 ILE CD1 C 14.900 0.300 1 794 73 75 ILE N N 114.690 0.300 1 795 74 76 PRO HA H 3.869 0.030 1 796 74 76 PRO HB2 H 2.439 0.030 1 797 74 76 PRO HB3 H 2.439 0.030 1 798 74 76 PRO HG2 H 1.761 0.030 2 799 74 76 PRO HG3 H 1.895 0.030 2 800 74 76 PRO HD2 H 2.987 0.030 2 801 74 76 PRO HD3 H 3.360 0.030 2 802 74 76 PRO C C 179.363 0.300 1 803 74 76 PRO CA C 65.266 0.300 1 804 74 76 PRO CB C 30.529 0.300 1 805 74 76 PRO CG C 27.323 0.300 1 806 74 76 PRO CD C 50.398 0.300 1 807 75 77 GLY H H 8.605 0.030 1 808 75 77 GLY HA2 H 3.647 0.030 2 809 75 77 GLY HA3 H 3.734 0.030 2 810 75 77 GLY C C 173.692 0.300 1 811 75 77 GLY CA C 46.072 0.300 1 812 75 77 GLY N N 107.917 0.300 1 813 76 78 ARG H H 7.748 0.030 1 814 76 78 ARG HA H 4.353 0.030 1 815 76 78 ARG HB2 H 1.421 0.030 2 816 76 78 ARG HB3 H 0.846 0.030 2 817 76 78 ARG HG2 H 1.191 0.030 1 818 76 78 ARG HG3 H 1.191 0.030 1 819 76 78 ARG HD2 H 1.980 0.030 2 820 76 78 ARG HD3 H 2.410 0.030 2 821 76 78 ARG HE H 6.729 0.030 1 822 76 78 ARG C C 175.411 0.300 1 823 76 78 ARG CA C 54.070 0.300 1 824 76 78 ARG CB C 29.395 0.300 1 825 76 78 ARG CG C 29.277 0.300 1 826 76 78 ARG CD C 42.336 0.300 1 827 76 78 ARG N N 116.144 0.300 1 828 76 78 ARG NE N 86.140 0.300 1 829 77 79 CYS H H 7.091 0.030 1 830 77 79 CYS HA H 4.900 0.030 1 831 77 79 CYS HB2 H 2.697 0.030 2 832 77 79 CYS HB3 H 3.380 0.030 2 833 77 79 CYS C C 175.840 0.300 1 834 77 79 CYS CA C 54.337 0.300 1 835 77 79 CYS CB C 43.228 0.300 1 836 77 79 CYS N N 114.199 0.300 1 837 78 80 HIS H H 9.370 0.030 1 838 78 80 HIS HA H 4.520 0.030 1 839 78 80 HIS HB2 H 3.142 0.030 2 840 78 80 HIS HB3 H 3.227 0.030 2 841 78 80 HIS HD2 H 7.362 0.030 1 842 78 80 HIS HE1 H 8.627 0.030 1 843 78 80 HIS C C 175.540 0.300 1 844 78 80 HIS CA C 58.102 0.300 1 845 78 80 HIS CB C 27.943 0.300 1 846 78 80 HIS CD2 C 120.782 0.300 1 847 78 80 HIS CE1 C 136.914 0.300 1 848 78 80 HIS N N 120.111 0.300 1 849 79 81 THR H H 8.391 0.030 1 850 79 81 THR HA H 4.500 0.030 1 851 79 81 THR HB H 4.285 0.030 1 852 79 81 THR HG2 H 1.202 0.030 1 853 79 81 THR C C 173.564 0.300 1 854 79 81 THR CA C 60.927 0.300 1 855 79 81 THR CB C 70.568 0.300 1 856 79 81 THR CG2 C 21.467 0.300 1 857 79 81 THR N N 114.828 0.300 1 858 80 82 TYR H H 8.563 0.030 1 859 80 82 TYR HA H 4.594 0.030 1 860 80 82 TYR HB2 H 2.941 0.030 1 861 80 82 TYR HB3 H 3.045 0.030 1 862 80 82 TYR HD1 H 7.105 0.030 1 863 80 82 TYR HD2 H 7.105 0.030 1 864 80 82 TYR HE1 H 6.771 0.030 1 865 80 82 TYR HE2 H 6.771 0.030 1 866 80 82 TYR C C 175.540 0.300 1 867 80 82 TYR CA C 58.200 0.300 1 868 80 82 TYR CB C 39.235 0.300 1 869 80 82 TYR CD1 C 133.123 0.300 1 870 80 82 TYR CD2 C 133.123 0.300 1 871 80 82 TYR CE1 C 118.026 0.300 1 872 80 82 TYR CE2 C 118.026 0.300 1 873 80 82 TYR N N 122.032 0.300 1 874 81 83 GLU H H 8.503 0.030 1 875 81 83 GLU HA H 4.232 0.030 1 876 81 83 GLU HB2 H 1.885 0.030 2 877 81 83 GLU HB3 H 2.023 0.030 2 878 81 83 GLU HG2 H 2.219 0.030 1 879 81 83 GLU HG3 H 2.219 0.030 1 880 81 83 GLU C C 176.571 0.300 1 881 81 83 GLU CA C 56.767 0.300 1 882 81 83 GLU CB C 30.265 0.300 1 883 81 83 GLU CG C 36.076 0.300 1 884 81 83 GLU N N 123.142 0.300 1 885 82 84 GLY H H 7.880 0.030 1 886 82 84 GLY HA2 H 3.858 0.030 1 887 82 84 GLY HA3 H 3.858 0.030 1 888 82 84 GLY C C 173.900 0.300 1 889 82 84 GLY CA C 45.565 0.300 1 890 82 84 GLY N N 109.326 0.300 1 891 83 85 ASP H H 8.201 0.030 1 892 83 85 ASP HA H 4.588 0.030 1 893 83 85 ASP HB2 H 2.665 0.030 1 894 83 85 ASP HB3 H 2.665 0.030 1 895 83 85 ASP C C 176.442 0.300 1 896 83 85 ASP CA C 54.419 0.300 1 897 83 85 ASP CB C 41.118 0.300 1 898 83 85 ASP N N 120.491 0.300 1 899 84 86 LYS H H 8.209 0.030 1 900 84 86 LYS HA H 4.258 0.030 1 901 84 86 LYS HB2 H 1.790 0.030 1 902 84 86 LYS HB3 H 1.790 0.030 1 903 84 86 LYS C C 176.871 0.300 1 904 84 86 LYS CA C 56.535 0.300 1 905 84 86 LYS CB C 32.880 0.300 1 906 84 86 LYS N N 121.182 0.300 1 907 85 87 GLU H H 8.430 0.030 1 908 85 87 GLU HA H 4.231 0.030 1 909 85 87 GLU HB2 H 1.939 0.030 2 910 85 87 GLU HB3 H 2.030 0.030 2 911 85 87 GLU HG2 H 2.252 0.030 1 912 85 87 GLU HG3 H 2.252 0.030 1 913 85 87 GLU C C 176.871 0.300 1 914 85 87 GLU CA C 56.790 0.300 1 915 85 87 GLU CB C 29.956 0.300 1 916 85 87 GLU CG C 36.138 0.300 1 917 85 87 GLU N N 121.121 0.300 1 918 86 88 SER H H 8.234 0.030 1 919 86 88 SER HA H 4.383 0.030 1 920 86 88 SER HB2 H 3.848 0.030 1 921 86 88 SER HB3 H 3.848 0.030 1 922 86 88 SER C C 174.595 0.300 1 923 86 88 SER CA C 58.534 0.300 1 924 86 88 SER CB C 63.832 0.300 1 925 86 88 SER N N 116.228 0.300 1 926 87 89 ALA H H 8.287 0.030 1 927 87 89 ALA HA H 4.317 0.030 1 928 87 89 ALA HB H 1.378 0.030 1 929 87 89 ALA C C 177.903 0.300 1 930 87 89 ALA CA C 52.685 0.300 1 931 87 89 ALA CB C 19.183 0.300 1 932 87 89 ALA N N 125.654 0.300 1 933 88 90 GLN H H 8.279 0.030 1 934 88 90 GLN HA H 4.304 0.030 1 935 88 90 GLN HB2 H 1.973 0.030 1 936 88 90 GLN HB3 H 1.973 0.030 1 937 88 90 GLN HG2 H 2.341 0.030 1 938 88 90 GLN HG3 H 2.341 0.030 1 939 88 90 GLN HE21 H 7.520 0.030 2 940 88 90 GLN HE22 H 6.846 0.030 2 941 88 90 GLN C C 176.614 0.300 1 942 88 90 GLN CA C 56.008 0.300 1 943 88 90 GLN CB C 29.353 0.300 1 944 88 90 GLN CG C 33.822 0.300 1 945 88 90 GLN N N 118.692 0.300 1 946 88 90 GLN NE2 N 112.438 0.300 1 947 89 91 GLY H H 8.356 0.030 1 948 89 91 GLY HA2 H 3.936 0.030 1 949 89 91 GLY HA3 H 3.936 0.030 1 950 89 91 GLY C C 174.600 0.300 1 951 89 91 GLY CA C 45.284 0.300 1 952 89 91 GLY N N 109.626 0.300 1 953 90 92 GLY H H 8.239 0.030 1 954 90 92 GLY HA2 H 3.937 0.030 1 955 90 92 GLY HA3 H 3.937 0.030 1 956 90 92 GLY C C 174.294 0.300 1 957 90 92 GLY CA C 45.277 0.300 1 958 90 92 GLY N N 108.663 0.300 1 959 91 93 ILE H H 8.047 0.030 1 960 91 93 ILE HA H 4.154 0.030 1 961 91 93 ILE HB H 1.864 0.030 1 962 91 93 ILE HG12 H 1.165 0.030 2 963 91 93 ILE HG13 H 1.430 0.030 2 964 91 93 ILE HG2 H 0.897 0.030 1 965 91 93 ILE HD1 H 0.864 0.030 1 966 91 93 ILE C C 176.871 0.300 1 967 91 93 ILE CA C 61.376 0.300 1 968 91 93 ILE CB C 38.674 0.300 1 969 91 93 ILE CG1 C 27.321 0.300 1 970 91 93 ILE CG2 C 17.500 0.300 1 971 91 93 ILE CD1 C 13.000 0.300 1 972 91 93 ILE N N 119.579 0.300 1 973 92 94 GLY H H 8.476 0.030 1 974 92 94 GLY HA2 H 3.931 0.030 1 975 92 94 GLY HA3 H 3.931 0.030 1 976 92 94 GLY C C 173.907 0.300 1 977 92 94 GLY CA C 45.274 0.300 1 978 92 94 GLY N N 112.402 0.300 1 979 93 95 GLU H H 8.159 0.030 1 980 93 95 GLU HA H 4.275 0.030 1 981 93 95 GLU HB2 H 2.023 0.030 1 982 93 95 GLU HB3 H 2.023 0.030 1 983 93 95 GLU HG2 H 2.221 0.030 1 984 93 95 GLU HG3 H 2.221 0.030 1 985 93 95 GLU C C 175.969 0.300 1 986 93 95 GLU CA C 56.308 0.300 1 987 93 95 GLU CB C 30.264 0.300 1 988 93 95 GLU CG C 36.098 0.300 1 989 93 95 GLU N N 120.631 0.300 1 990 94 96 ALA H H 8.289 0.030 1 991 94 96 ALA HA H 4.351 0.030 1 992 94 96 ALA HB H 1.370 0.030 1 993 94 96 ALA C C 177.387 0.300 1 994 94 96 ALA CA C 52.268 0.300 1 995 94 96 ALA CB C 19.148 0.300 1 996 94 96 ALA N N 125.594 0.300 1 997 95 97 ILE H H 8.223 0.030 1 998 95 97 ILE HA H 4.152 0.030 1 999 95 97 ILE HB H 1.835 0.030 1 1000 95 97 ILE HG2 H 0.849 0.030 1 1001 95 97 ILE HD1 H 0.830 0.030 1 1002 95 97 ILE C C 175.540 0.300 1 1003 95 97 ILE CA C 60.802 0.300 1 1004 95 97 ILE CB C 38.649 0.300 1 1005 95 97 ILE CG2 C 17.500 0.300 1 1006 95 97 ILE CD1 C 13.000 0.300 1 1007 95 97 ILE N N 121.062 0.300 1 1008 96 98 VAL H H 8.322 0.030 1 1009 96 98 VAL HA H 4.169 0.030 1 1010 96 98 VAL HB H 2.054 0.030 1 1011 96 98 VAL HG1 H 0.847 0.030 2 1012 96 98 VAL HG2 H 0.938 0.030 2 1013 96 98 VAL C C 174.122 0.300 1 1014 96 98 VAL CA C 62.367 0.300 1 1015 96 98 VAL CB C 33.129 0.300 1 1016 96 98 VAL CG1 C 21.403 0.300 2 1017 96 98 VAL CG2 C 20.841 0.300 2 1018 96 98 VAL N N 124.228 0.300 1 1019 97 99 ASP H H 8.089 0.030 1 1020 97 99 ASP HA H 4.964 0.030 1 1021 97 99 ASP HB2 H 2.492 0.030 1 1022 97 99 ASP HB3 H 2.492 0.030 1 1023 97 99 ASP C C 174.380 0.300 1 1024 97 99 ASP CA C 52.836 0.300 1 1025 97 99 ASP CB C 44.204 0.300 1 1026 97 99 ASP N N 122.596 0.300 1 1027 98 100 ILE H H 7.172 0.030 1 1028 98 100 ILE HA H 4.147 0.030 1 1029 98 100 ILE HB H 0.826 0.030 1 1030 98 100 ILE HG12 H 0.547 0.030 2 1031 98 100 ILE HG13 H 0.458 0.030 2 1032 98 100 ILE HG2 H 0.571 0.030 1 1033 98 100 ILE HD1 H 0.276 0.030 1 1034 98 100 ILE C C 173.349 0.300 1 1035 98 100 ILE CA C 58.264 0.300 1 1036 98 100 ILE CB C 38.305 0.300 1 1037 98 100 ILE CG1 C 26.497 0.300 1 1038 98 100 ILE CG2 C 17.106 0.300 1 1039 98 100 ILE CD1 C 12.799 0.300 1 1040 98 100 ILE N N 123.975 0.300 1 1041 99 101 PRO HA H 4.285 0.030 1 1042 99 101 PRO HB2 H 2.296 0.030 1 1043 99 101 PRO HB3 H 2.296 0.030 1 1044 99 101 PRO HG2 H 1.865 0.030 2 1045 99 101 PRO HG3 H 1.910 0.030 2 1046 99 101 PRO HD2 H 3.355 0.030 2 1047 99 101 PRO HD3 H 3.706 0.030 2 1048 99 101 PRO C C 177.000 0.300 1 1049 99 101 PRO CA C 64.502 0.300 1 1050 99 101 PRO CB C 31.912 0.300 1 1051 99 101 PRO CG C 27.067 0.300 1 1052 99 101 PRO CD C 50.698 0.300 1 1053 100 102 ALA H H 7.685 0.030 1 1054 100 102 ALA HA H 4.124 0.030 1 1055 100 102 ALA HB H 1.333 0.030 1 1056 100 102 ALA C C 177.258 0.300 1 1057 100 102 ALA CA C 53.342 0.300 1 1058 100 102 ALA CB C 19.335 0.300 1 1059 100 102 ALA N N 116.491 0.300 1 1060 101 103 ILE H H 7.951 0.030 1 1061 101 103 ILE HA H 4.518 0.030 1 1062 101 103 ILE HB H 1.909 0.030 1 1063 101 103 ILE HG12 H 0.991 0.030 2 1064 101 103 ILE HG13 H 1.343 0.030 2 1065 101 103 ILE HG2 H 1.002 0.030 1 1066 101 103 ILE HD1 H 0.720 0.030 1 1067 101 103 ILE C C 173.091 0.300 1 1068 101 103 ILE CA C 58.079 0.300 1 1069 101 103 ILE CB C 39.596 0.300 1 1070 101 103 ILE CG1 C 27.184 0.300 1 1071 101 103 ILE CG2 C 17.621 0.300 1 1072 101 103 ILE CD1 C 14.757 0.300 1 1073 101 103 ILE N N 120.003 0.300 1 1074 102 104 PRO HA H 4.286 0.030 1 1075 102 104 PRO HD2 H 3.715 0.030 2 1076 102 104 PRO HD3 H 4.029 0.030 2 1077 102 104 PRO C C 176.871 0.300 1 1078 102 104 PRO CA C 64.309 0.300 1 1079 102 104 PRO CB C 29.325 0.300 1 1080 102 104 PRO CG C 29.354 0.300 1 1081 102 104 PRO CD C 51.246 0.300 1 1082 103 105 ARG H H 8.855 0.030 1 1083 103 105 ARG HA H 4.038 0.030 1 1084 103 105 ARG HB2 H 1.541 0.030 1 1085 103 105 ARG HB3 H 1.541 0.030 1 1086 103 105 ARG HG2 H 2.025 0.030 1 1087 103 105 ARG HG3 H 2.025 0.030 1 1088 103 105 ARG HD2 H 3.209 0.030 1 1089 103 105 ARG HD3 H 3.209 0.030 1 1090 103 105 ARG HE H 7.205 0.030 1 1091 103 105 ARG C C 176.571 0.300 1 1092 103 105 ARG CA C 56.864 0.300 1 1093 103 105 ARG CB C 28.161 0.300 1 1094 103 105 ARG CG C 27.575 0.300 1 1095 103 105 ARG CD C 43.306 0.300 1 1096 103 105 ARG N N 115.407 0.300 1 1097 103 105 ARG NE N 84.312 0.300 1 1098 104 106 PHE H H 7.691 0.030 1 1099 104 106 PHE HA H 3.824 0.030 1 1100 104 106 PHE HB2 H 3.712 0.030 1 1101 104 106 PHE HB3 H 3.086 0.030 1 1102 104 106 PHE HD1 H 7.240 0.030 1 1103 104 106 PHE HD2 H 7.240 0.030 1 1104 104 106 PHE HE1 H 7.300 0.030 1 1105 104 106 PHE HE2 H 7.300 0.030 1 1106 104 106 PHE HZ H 6.960 0.030 1 1107 104 106 PHE C C 177.989 0.300 1 1108 104 106 PHE CA C 62.956 0.300 1 1109 104 106 PHE CB C 39.949 0.300 1 1110 104 106 PHE CD1 C 131.350 0.300 1 1111 104 106 PHE CD2 C 131.350 0.300 1 1112 104 106 PHE CE1 C 131.350 0.300 1 1113 104 106 PHE CE2 C 131.350 0.300 1 1114 104 106 PHE CZ C 129.115 0.300 1 1115 104 106 PHE N N 117.822 0.300 1 1116 105 107 LYS H H 8.960 0.030 1 1117 105 107 LYS HA H 3.708 0.030 1 1118 105 107 LYS HB2 H 1.826 0.030 1 1119 105 107 LYS HB3 H 1.826 0.030 1 1120 105 107 LYS HG2 H 1.483 0.030 2 1121 105 107 LYS HG3 H 1.586 0.030 2 1122 105 107 LYS HD2 H 1.830 0.030 1 1123 105 107 LYS HD3 H 1.830 0.030 1 1124 105 107 LYS C C 176.700 0.300 1 1125 105 107 LYS CA C 59.123 0.300 1 1126 105 107 LYS CB C 31.701 0.300 1 1127 105 107 LYS CG C 24.468 0.300 1 1128 105 107 LYS CD C 31.542 0.300 1 1129 105 107 LYS N N 114.671 0.300 1 1130 106 108 ASP H H 7.925 0.030 1 1131 106 108 ASP HA H 4.612 0.030 1 1132 106 108 ASP HB2 H 2.504 0.030 2 1133 106 108 ASP HB3 H 2.846 0.030 2 1134 106 108 ASP C C 176.141 0.300 1 1135 106 108 ASP CA C 54.456 0.300 1 1136 106 108 ASP CB C 42.225 0.300 1 1137 106 108 ASP N N 117.065 0.300 1 1138 107 109 LEU H H 7.143 0.030 1 1139 107 109 LEU HA H 4.175 0.030 1 1140 107 109 LEU HB2 H 1.906 0.030 1 1141 107 109 LEU HB3 H 1.906 0.030 1 1142 107 109 LEU HD1 H 0.750 0.030 2 1143 107 109 LEU HD2 H 0.745 0.030 2 1144 107 109 LEU C C 176.614 0.300 1 1145 107 109 LEU CA C 54.689 0.300 1 1146 107 109 LEU CB C 41.791 0.300 1 1147 107 109 LEU CG C 25.479 0.300 1 1148 107 109 LEU CD1 C 21.200 0.300 2 1149 107 109 LEU CD2 C 25.514 0.300 2 1150 107 109 LEU N N 121.067 0.300 1 1151 108 110 GLU H H 8.741 0.030 1 1152 108 110 GLU HA H 4.272 0.030 1 1153 108 110 GLU HB2 H 1.719 0.030 2 1154 108 110 GLU HB3 H 2.243 0.030 2 1155 108 110 GLU HG2 H 2.388 0.030 2 1156 108 110 GLU HG3 H 2.299 0.030 2 1157 108 110 GLU C C 175.540 0.300 1 1158 108 110 GLU CA C 55.307 0.300 1 1159 108 110 GLU CB C 27.907 0.300 1 1160 108 110 GLU CG C 36.194 0.300 1 1161 108 110 GLU N N 119.784 0.300 1 1162 109 111 PRO HA H 4.053 0.030 1 1163 109 111 PRO HB2 H 2.022 0.030 1 1164 109 111 PRO HB3 H 2.022 0.030 1 1165 109 111 PRO HG2 H 1.659 0.030 2 1166 109 111 PRO HG3 H 2.018 0.030 2 1167 109 111 PRO HD2 H 3.569 0.030 2 1168 109 111 PRO HD3 H 3.732 0.030 2 1169 109 111 PRO C C 177.903 0.300 1 1170 109 111 PRO CA C 66.826 0.300 1 1171 109 111 PRO CB C 32.828 0.300 1 1172 109 111 PRO CD C 49.487 0.300 1 1173 110 112 MET H H 8.984 0.030 1 1174 110 112 MET HA H 4.552 0.030 1 1175 110 112 MET HB2 H 2.062 0.030 2 1176 110 112 MET HB3 H 2.138 0.030 2 1177 110 112 MET HG2 H 2.733 0.030 1 1178 110 112 MET HG3 H 2.733 0.030 1 1179 110 112 MET HE H 2.057 0.030 1 1180 110 112 MET C C 178.848 0.300 1 1181 110 112 MET CA C 56.956 0.300 1 1182 110 112 MET CB C 30.838 0.300 1 1183 110 112 MET CG C 32.949 0.300 1 1184 110 112 MET CE C 16.906 0.300 1 1185 110 112 MET N N 113.930 0.300 1 1186 111 113 GLU H H 7.020 0.030 1 1187 111 113 GLU HA H 4.073 0.030 1 1188 111 113 GLU HB2 H 2.449 0.030 1 1189 111 113 GLU HB3 H 2.449 0.030 1 1190 111 113 GLU HG2 H 2.395 0.030 2 1191 111 113 GLU HG3 H 2.734 0.030 2 1192 111 113 GLU C C 179.406 0.300 1 1193 111 113 GLU CA C 59.197 0.300 1 1194 111 113 GLU CB C 30.293 0.300 1 1195 111 113 GLU CG C 33.075 0.300 1 1196 111 113 GLU N N 118.112 0.300 1 1197 112 114 GLN H H 8.258 0.030 1 1198 112 114 GLN HA H 3.858 0.030 1 1199 112 114 GLN HB2 H 2.700 0.030 1 1200 112 114 GLN HB3 H 2.700 0.030 1 1201 112 114 GLN HG2 H 1.186 0.030 1 1202 112 114 GLN HG3 H 1.186 0.030 1 1203 112 114 GLN HE21 H 6.684 0.030 2 1204 112 114 GLN HE22 H 6.793 0.030 2 1205 112 114 GLN C C 179.106 0.300 1 1206 112 114 GLN CA C 59.984 0.300 1 1207 112 114 GLN CB C 30.274 0.300 1 1208 112 114 GLN CG C 35.848 0.300 1 1209 112 114 GLN N N 118.900 0.300 1 1210 112 114 GLN NE2 N 111.174 0.300 1 1211 113 115 PHE H H 7.688 0.030 1 1212 113 115 PHE HA H 4.248 0.030 1 1213 113 115 PHE HB2 H 3.043 0.030 2 1214 113 115 PHE HB3 H 3.565 0.030 2 1215 113 115 PHE HD1 H 7.020 0.030 1 1216 113 115 PHE HD2 H 7.020 0.030 1 1217 113 115 PHE HE1 H 7.148 0.030 1 1218 113 115 PHE HE2 H 7.148 0.030 1 1219 113 115 PHE HZ H 6.438 0.030 1 1220 113 115 PHE C C 176.442 0.300 1 1221 113 115 PHE CA C 62.146 0.300 1 1222 113 115 PHE CB C 39.585 0.300 1 1223 113 115 PHE CD1 C 131.204 0.300 1 1224 113 115 PHE CD2 C 131.204 0.300 1 1225 113 115 PHE CE1 C 131.262 0.300 1 1226 113 115 PHE CE2 C 131.262 0.300 1 1227 113 115 PHE CZ C 129.997 0.300 1 1228 113 115 PHE N N 119.122 0.300 1 1229 114 116 ILE H H 8.750 0.030 1 1230 114 116 ILE HA H 3.400 0.030 1 1231 114 116 ILE HB H 1.910 0.030 1 1232 114 116 ILE HG12 H 1.474 0.030 2 1233 114 116 ILE HG13 H 1.825 0.030 2 1234 114 116 ILE HG2 H 0.931 0.030 1 1235 114 116 ILE HD1 H 0.889 0.030 1 1236 114 116 ILE C C 177.258 0.300 1 1237 114 116 ILE CA C 63.858 0.300 1 1238 114 116 ILE CB C 37.817 0.300 1 1239 114 116 ILE CG1 C 28.873 0.300 1 1240 114 116 ILE CG2 C 17.490 0.300 1 1241 114 116 ILE CD1 C 12.010 0.300 1 1242 114 116 ILE N N 119.881 0.300 1 1243 115 117 ALA H H 8.617 0.030 1 1244 115 117 ALA HA H 4.171 0.030 1 1245 115 117 ALA HB H 1.562 0.030 1 1246 115 117 ALA C C 180.351 0.300 1 1247 115 117 ALA CA C 54.838 0.300 1 1248 115 117 ALA CB C 18.833 0.300 1 1249 115 117 ALA N N 118.975 0.300 1 1250 116 118 GLN H H 6.984 0.030 1 1251 116 118 GLN HA H 3.994 0.030 1 1252 116 118 GLN HB2 H 2.164 0.030 1 1253 116 118 GLN HB3 H 2.164 0.030 1 1254 116 118 GLN HG2 H 1.916 0.030 2 1255 116 118 GLN HG3 H 2.987 0.030 2 1256 116 118 GLN HE21 H 8.386 0.030 2 1257 116 118 GLN HE22 H 6.870 0.030 2 1258 116 118 GLN C C 178.633 0.300 1 1259 116 118 GLN CA C 59.583 0.300 1 1260 116 118 GLN CB C 31.697 0.300 1 1261 116 118 GLN CG C 36.763 0.300 1 1262 116 118 GLN N N 113.205 0.300 1 1263 116 118 GLN NE2 N 109.433 0.300 1 1264 117 119 VAL H H 7.871 0.030 1 1265 117 119 VAL HA H 3.137 0.030 1 1266 117 119 VAL HB H 2.061 0.030 1 1267 117 119 VAL HG1 H 0.457 0.030 2 1268 117 119 VAL HG2 H 0.858 0.030 2 1269 117 119 VAL C C 179.707 0.300 1 1270 117 119 VAL CA C 67.353 0.300 1 1271 117 119 VAL CB C 30.988 0.300 1 1272 117 119 VAL CG1 C 23.514 0.300 2 1273 117 119 VAL CG2 C 22.171 0.300 2 1274 117 119 VAL N N 123.152 0.300 1 1275 118 120 ASP H H 8.618 0.030 1 1276 118 120 ASP HA H 4.231 0.030 1 1277 118 120 ASP HB2 H 2.608 0.030 2 1278 118 120 ASP HB3 H 2.692 0.030 2 1279 118 120 ASP C C 177.645 0.300 1 1280 118 120 ASP CA C 55.946 0.300 1 1281 118 120 ASP CB C 39.905 0.300 1 1282 118 120 ASP N N 119.042 0.300 1 1283 119 121 LEU H H 7.034 0.030 1 1284 119 121 LEU HA H 4.227 0.030 1 1285 119 121 LEU HB2 H 1.566 0.030 2 1286 119 121 LEU HB3 H 1.920 0.030 2 1287 119 121 LEU HG H 1.940 0.030 1 1288 119 121 LEU HD1 H 0.805 0.030 2 1289 119 121 LEU HD2 H 0.816 0.030 2 1290 119 121 LEU C C 178.891 0.300 1 1291 119 121 LEU CA C 55.801 0.300 1 1292 119 121 LEU CB C 41.851 0.300 1 1293 119 121 LEU CG C 26.160 0.300 1 1294 119 121 LEU CD1 C 22.379 0.300 2 1295 119 121 LEU CD2 C 25.370 0.300 2 1296 119 121 LEU N N 116.993 0.300 1 1297 120 122 CYS H H 7.916 0.030 1 1298 120 122 CYS HA H 5.195 0.030 1 1299 120 122 CYS HB2 H 3.144 0.030 2 1300 120 122 CYS HB3 H 3.371 0.030 2 1301 120 122 CYS C C 176.958 0.300 1 1302 120 122 CYS CA C 51.652 0.300 1 1303 120 122 CYS CB C 35.270 0.300 1 1304 120 122 CYS N N 120.755 0.300 1 1305 121 123 VAL H H 7.545 0.030 1 1306 121 123 VAL HA H 3.960 0.030 1 1307 121 123 VAL HB H 2.269 0.030 1 1308 121 123 VAL HG1 H 1.029 0.030 2 1309 121 123 VAL HG2 H 0.923 0.030 2 1310 121 123 VAL C C 176.313 0.300 1 1311 121 123 VAL CA C 64.050 0.300 1 1312 121 123 VAL CB C 31.510 0.300 1 1313 121 123 VAL CG1 C 21.635 0.300 2 1314 121 123 VAL CG2 C 18.825 0.300 2 1315 121 123 VAL N N 118.572 0.300 1 1316 122 124 ASP H H 8.562 0.030 1 1317 122 124 ASP HA H 4.569 0.030 1 1318 122 124 ASP HB2 H 2.155 0.030 2 1319 122 124 ASP HB3 H 2.556 0.030 2 1320 122 124 ASP C C 177.559 0.300 1 1321 122 124 ASP CA C 54.822 0.300 1 1322 122 124 ASP CB C 41.468 0.300 1 1323 122 124 ASP N N 118.252 0.300 1 1324 123 125 CYS H H 8.051 0.030 1 1325 123 125 CYS HA H 4.807 0.030 1 1326 123 125 CYS HB2 H 2.600 0.030 2 1327 123 125 CYS HB3 H 3.245 0.030 2 1328 123 125 CYS C C 173.607 0.300 1 1329 123 125 CYS CA C 53.574 0.300 1 1330 123 125 CYS CB C 40.772 0.300 1 1331 123 125 CYS N N 118.098 0.300 1 1332 124 126 THR H H 7.570 0.030 1 1333 124 126 THR HA H 4.634 0.030 1 1334 124 126 THR HB H 4.695 0.030 1 1335 124 126 THR HG1 H 5.550 0.030 1 1336 124 126 THR HG2 H 1.321 0.030 1 1337 124 126 THR C C 175.583 0.300 1 1338 124 126 THR CA C 59.390 0.300 1 1339 124 126 THR CB C 70.940 0.300 1 1340 124 126 THR CG2 C 22.583 0.300 1 1341 124 126 THR N N 114.007 0.300 1 1342 125 127 THR H H 8.959 0.030 1 1343 125 127 THR HA H 3.877 0.030 1 1344 125 127 THR HB H 4.103 0.030 1 1345 125 127 THR HG2 H 1.282 0.030 1 1346 125 127 THR C C 177.387 0.300 1 1347 125 127 THR CA C 66.110 0.300 1 1348 125 127 THR CB C 68.410 0.300 1 1349 125 127 THR CG2 C 22.260 0.300 1 1350 125 127 THR N N 116.566 0.300 1 1351 126 128 GLY H H 8.586 0.030 1 1352 126 128 GLY HA2 H 3.745 0.030 2 1353 126 128 GLY HA3 H 3.923 0.030 2 1354 126 128 GLY C C 176.485 0.300 1 1355 126 128 GLY CA C 47.104 0.300 1 1356 126 128 GLY N N 108.683 0.300 1 1357 127 129 CYS H H 7.713 0.030 1 1358 127 129 CYS HA H 4.183 0.030 1 1359 127 129 CYS HB2 H 2.668 0.030 2 1360 127 129 CYS HB3 H 3.053 0.030 2 1361 127 129 CYS C C 175.239 0.300 1 1362 127 129 CYS CA C 58.701 0.300 1 1363 127 129 CYS CB C 39.066 0.300 1 1364 127 129 CYS N N 121.104 0.300 1 1365 128 130 LEU H H 7.599 0.030 1 1366 128 130 LEU HA H 3.604 0.030 1 1367 128 130 LEU HB2 H 1.816 0.030 1 1368 128 130 LEU HB3 H 1.358 0.030 1 1369 128 130 LEU HG H 1.591 0.030 1 1370 128 130 LEU HD1 H 0.560 0.030 2 1371 128 130 LEU HD2 H 0.740 0.030 2 1372 128 130 LEU C C 180.480 0.300 1 1373 128 130 LEU CA C 58.062 0.300 1 1374 128 130 LEU CB C 40.747 0.300 1 1375 128 130 LEU CD1 C 22.800 0.300 2 1376 128 130 LEU CD2 C 25.500 0.300 2 1377 128 130 LEU N N 117.106 0.300 1 1378 129 131 LYS H H 8.275 0.030 1 1379 129 131 LYS HA H 4.040 0.030 1 1380 129 131 LYS HB2 H 1.833 0.030 1 1381 129 131 LYS HB3 H 1.833 0.030 1 1382 129 131 LYS HG2 H 1.584 0.030 2 1383 129 131 LYS HG3 H 1.462 0.030 2 1384 129 131 LYS C C 179.406 0.300 1 1385 129 131 LYS CA C 59.190 0.300 1 1386 129 131 LYS CB C 32.480 0.300 1 1387 129 131 LYS CG C 25.446 0.300 1 1388 129 131 LYS N N 118.419 0.300 1 1389 130 132 GLY H H 8.072 0.030 1 1390 130 132 GLY HA2 H 3.946 0.030 2 1391 130 132 GLY HA3 H 3.540 0.030 2 1392 130 132 GLY C C 176.500 0.300 1 1393 130 132 GLY CA C 46.468 0.300 1 1394 130 132 GLY N N 108.763 0.300 1 1395 131 133 LEU H H 8.179 0.030 1 1396 131 133 LEU HA H 3.985 0.030 1 1397 131 133 LEU HB2 H 1.605 0.030 2 1398 131 133 LEU HB3 H 1.070 0.030 2 1399 131 133 LEU HG H 1.738 0.030 1 1400 131 133 LEU HD1 H 0.254 0.030 2 1401 131 133 LEU HD2 H 0.587 0.030 2 1402 131 133 LEU C C 177.387 0.300 1 1403 131 133 LEU CA C 56.900 0.300 1 1404 131 133 LEU CB C 42.606 0.300 1 1405 131 133 LEU CG C 26.210 0.300 1 1406 131 133 LEU CD1 C 26.319 0.300 2 1407 131 133 LEU CD2 C 22.481 0.300 2 1408 131 133 LEU N N 121.160 0.300 1 1409 132 134 ALA H H 7.199 0.030 1 1410 132 134 ALA HA H 4.300 0.030 1 1411 132 134 ALA HB H 1.571 0.030 1 1412 132 134 ALA C C 177.559 0.300 1 1413 132 134 ALA CA C 53.232 0.300 1 1414 132 134 ALA CB C 19.577 0.300 1 1415 132 134 ALA N N 117.376 0.300 1 1416 133 135 ASN H H 7.555 0.030 1 1417 133 135 ASN HA H 4.940 0.030 1 1418 133 135 ASN HB2 H 2.670 0.030 2 1419 133 135 ASN HB3 H 2.793 0.030 2 1420 133 135 ASN HD21 H 7.645 0.030 2 1421 133 135 ASN HD22 H 6.949 0.030 2 1422 133 135 ASN C C 174.509 0.300 1 1423 133 135 ASN CA C 52.365 0.300 1 1424 133 135 ASN CB C 40.002 0.300 1 1425 133 135 ASN N N 116.368 0.300 1 1426 133 135 ASN ND2 N 113.570 0.300 1 1427 134 136 VAL H H 7.590 0.030 1 1428 134 136 VAL HA H 3.930 0.030 1 1429 134 136 VAL HB H 1.981 0.030 1 1430 134 136 VAL HG1 H 0.800 0.030 2 1431 134 136 VAL HG2 H 0.894 0.030 2 1432 134 136 VAL C C 175.411 0.300 1 1433 134 136 VAL CA C 63.124 0.300 1 1434 134 136 VAL CB C 32.335 0.300 1 1435 134 136 VAL CG1 C 21.272 0.300 2 1436 134 136 VAL CG2 C 21.410 0.300 2 1437 134 136 VAL N N 120.597 0.300 1 1438 135 137 GLN H H 8.035 0.030 1 1439 135 137 GLN HA H 4.153 0.030 1 1440 135 137 GLN CB C 27.240 0.300 1 1441 135 137 GLN N N 122.875 0.300 1 1442 135 137 GLN NE2 N 114.551 0.300 1 1443 136 138 CYS HA H 4.540 0.030 1 1444 136 138 CYS HB2 H 3.180 0.030 2 1445 136 138 CYS HB3 H 2.810 0.030 2 1446 136 138 CYS C C 173.263 0.300 1 1447 136 138 CYS CA C 56.490 0.300 1 1448 136 138 CYS CB C 42.283 0.300 1 1449 137 139 SER H H 7.287 0.030 1 1450 137 139 SER HA H 4.404 0.030 1 1451 137 139 SER HB2 H 3.957 0.030 2 1452 137 139 SER HB3 H 4.263 0.030 2 1453 137 139 SER C C 174.208 0.300 1 1454 137 139 SER CA C 56.614 0.300 1 1455 137 139 SER CB C 65.118 0.300 1 1456 137 139 SER N N 116.549 0.300 1 1457 138 140 ASP H H 8.980 0.030 1 1458 138 140 ASP HA H 4.305 0.030 1 1459 138 140 ASP HB2 H 2.639 0.030 1 1460 138 140 ASP HB3 H 2.639 0.030 1 1461 138 140 ASP C C 178.504 0.300 1 1462 138 140 ASP CA C 58.374 0.300 1 1463 138 140 ASP CB C 40.243 0.300 1 1464 138 140 ASP N N 121.396 0.300 1 1465 139 141 LEU H H 8.391 0.030 1 1466 139 141 LEU HA H 4.228 0.030 1 1467 139 141 LEU HB2 H 1.569 0.030 1 1468 139 141 LEU HB3 H 1.569 0.030 1 1469 139 141 LEU HD1 H 0.784 0.030 2 1470 139 141 LEU HD2 H 0.994 0.030 2 1471 139 141 LEU C C 178.762 0.300 1 1472 139 141 LEU CA C 58.218 0.300 1 1473 139 141 LEU CB C 41.898 0.300 1 1474 139 141 LEU CD1 C 25.116 0.300 2 1475 139 141 LEU CD2 C 24.192 0.300 2 1476 139 141 LEU N N 120.182 0.300 1 1477 140 142 LEU H H 7.560 0.030 1 1478 140 142 LEU HA H 4.110 0.030 1 1479 140 142 LEU HB2 H 1.731 0.030 2 1480 140 142 LEU HB3 H 1.776 0.030 2 1481 140 142 LEU HG H 1.800 0.030 1 1482 140 142 LEU HD1 H 0.890 0.030 2 1483 140 142 LEU HD2 H 0.950 0.030 2 1484 140 142 LEU C C 178.504 0.300 1 1485 140 142 LEU CA C 57.672 0.300 1 1486 140 142 LEU CB C 41.509 0.300 1 1487 140 142 LEU CG C 28.534 0.300 1 1488 140 142 LEU CD1 C 24.300 0.300 2 1489 140 142 LEU CD2 C 25.660 0.300 2 1490 140 142 LEU N N 118.363 0.300 1 1491 141 143 LYS H H 8.349 0.030 1 1492 141 143 LYS HA H 3.749 0.030 1 1493 141 143 LYS HB2 H 1.813 0.030 1 1494 141 143 LYS HB3 H 1.813 0.030 1 1495 141 143 LYS C C 177.301 0.300 1 1496 141 143 LYS CA C 59.732 0.300 1 1497 141 143 LYS CB C 32.636 0.300 1 1498 141 143 LYS CG C 24.536 0.300 1 1499 141 143 LYS CD C 29.248 0.300 1 1500 141 143 LYS CE C 41.968 0.300 1 1501 141 143 LYS N N 118.933 0.300 1 1502 142 144 LYS H H 7.206 0.030 1 1503 142 144 LYS HA H 3.879 0.030 1 1504 142 144 LYS HB2 H 1.676 0.030 1 1505 142 144 LYS HB3 H 1.676 0.030 1 1506 142 144 LYS HG2 H 0.610 0.030 2 1507 142 144 LYS HG3 H 1.038 0.030 2 1508 142 144 LYS HD2 H 1.415 0.030 1 1509 142 144 LYS HD3 H 1.415 0.030 1 1510 142 144 LYS HE2 H 2.673 0.030 1 1511 142 144 LYS HE3 H 2.673 0.030 1 1512 142 144 LYS C C 177.602 0.300 1 1513 142 144 LYS CA C 58.274 0.300 1 1514 142 144 LYS CB C 32.567 0.300 1 1515 142 144 LYS CG C 24.529 0.300 1 1516 142 144 LYS CD C 29.242 0.300 1 1517 142 144 LYS CE C 41.976 0.300 1 1518 142 144 LYS N N 115.914 0.300 1 1519 143 145 TRP H H 7.385 0.030 1 1520 143 145 TRP HA H 4.476 0.030 1 1521 143 145 TRP HB2 H 2.821 0.030 2 1522 143 145 TRP HB3 H 3.382 0.030 2 1523 143 145 TRP HD1 H 7.407 0.030 1 1524 143 145 TRP HE1 H 10.473 0.030 1 1525 143 145 TRP HE3 H 7.662 0.030 1 1526 143 145 TRP HZ2 H 7.489 0.030 1 1527 143 145 TRP HZ3 H 7.137 0.030 1 1528 143 145 TRP HH2 H 7.236 0.030 1 1529 143 145 TRP C C 175.067 0.300 1 1530 143 145 TRP CA C 58.920 0.300 1 1531 143 145 TRP CB C 31.874 0.300 1 1532 143 145 TRP CD1 C 127.475 0.300 1 1533 143 145 TRP CE3 C 120.074 0.300 1 1534 143 145 TRP CZ2 C 114.561 0.300 1 1535 143 145 TRP CZ3 C 121.930 0.300 1 1536 143 145 TRP CH2 C 124.559 0.300 1 1537 143 145 TRP N N 116.424 0.300 1 1538 143 145 TRP NE1 N 128.813 0.300 1 1539 144 146 LEU H H 8.520 0.030 1 1540 144 146 LEU HA H 4.921 0.030 1 1541 144 146 LEU HB2 H 1.575 0.030 2 1542 144 146 LEU HB3 H 1.703 0.030 2 1543 144 146 LEU HD1 H 0.911 0.030 2 1544 144 146 LEU HD2 H 0.945 0.030 2 1545 144 146 LEU C C 173.778 0.300 1 1546 144 146 LEU CA C 52.068 0.300 1 1547 144 146 LEU CB C 42.696 0.300 1 1548 144 146 LEU CD1 C 26.572 0.300 2 1549 144 146 LEU CD2 C 24.540 0.300 2 1550 144 146 LEU N N 119.162 0.300 1 1551 145 147 PRO HB2 H 1.918 0.030 2 1552 145 147 PRO HB3 H 2.302 0.030 2 1553 145 147 PRO HD2 H 3.232 0.030 2 1554 145 147 PRO HD3 H 3.609 0.030 2 1555 145 147 PRO C C 179.100 0.300 1 1556 145 147 PRO CB C 32.024 0.300 1 1557 145 147 PRO CG C 27.479 0.300 1 1558 145 147 PRO CD C 50.604 0.300 1 1559 146 148 GLN H H 9.130 0.030 1 1560 146 148 GLN HA H 4.190 0.030 1 1561 146 148 GLN HB2 H 2.071 0.030 1 1562 146 148 GLN HB3 H 2.071 0.030 1 1563 146 148 GLN HG2 H 2.332 0.030 2 1564 146 148 GLN HG3 H 2.424 0.030 2 1565 146 148 GLN HE21 H 6.892 0.030 2 1566 146 148 GLN HE22 H 7.578 0.030 2 1567 146 148 GLN CA C 58.276 0.300 1 1568 146 148 GLN CG C 34.144 0.300 1 1569 146 148 GLN N N 118.170 0.300 1 1570 146 148 GLN NE2 N 112.236 0.300 1 1571 147 149 ARG H H 8.059 0.030 1 1572 147 149 ARG HA H 4.339 0.030 1 1573 147 149 ARG HB2 H 1.777 0.030 1 1574 147 149 ARG HB3 H 1.777 0.030 1 1575 147 149 ARG HG2 H 1.563 0.030 1 1576 147 149 ARG HG3 H 1.563 0.030 1 1577 147 149 ARG HD2 H 3.170 0.030 1 1578 147 149 ARG HD3 H 3.170 0.030 1 1579 147 149 ARG HE H 7.616 0.030 1 1580 147 149 ARG C C 177.559 0.300 1 1581 147 149 ARG CA C 56.399 0.300 1 1582 147 149 ARG CB C 30.107 0.300 1 1583 147 149 ARG CG C 27.343 0.300 1 1584 147 149 ARG N N 121.093 0.300 1 1585 147 149 ARG NE N 84.312 0.300 1 1586 148 150 CYS H H 8.038 0.030 1 1587 148 150 CYS HA H 4.893 0.030 1 1588 148 150 CYS HB2 H 2.771 0.030 2 1589 148 150 CYS HB3 H 3.175 0.030 2 1590 148 150 CYS C C 174.809 0.300 1 1591 148 150 CYS CA C 54.749 0.300 1 1592 148 150 CYS CB C 40.667 0.300 1 1593 148 150 CYS N N 114.966 0.300 1 1594 149 151 ALA H H 8.032 0.030 1 1595 149 151 ALA HA H 4.309 0.030 1 1596 149 151 ALA HB H 1.453 0.030 1 1597 149 151 ALA C C 178.160 0.300 1 1598 149 151 ALA CA C 53.939 0.300 1 1599 149 151 ALA CB C 19.203 0.300 1 1600 149 151 ALA N N 124.820 0.300 1 1601 150 152 THR H H 8.031 0.030 1 1602 150 152 THR HA H 4.240 0.030 1 1603 150 152 THR HB H 4.219 0.030 1 1604 150 152 THR HG2 H 1.137 0.030 1 1605 150 152 THR C C 174.637 0.300 1 1606 150 152 THR CA C 62.200 0.300 1 1607 150 152 THR CB C 69.615 0.300 1 1608 150 152 THR CG2 C 21.713 0.300 1 1609 150 152 THR N N 110.943 0.300 1 1610 151 153 PHE H H 8.016 0.030 1 1611 151 153 PHE HA H 4.512 0.030 1 1612 151 153 PHE HB2 H 3.042 0.030 2 1613 151 153 PHE HB3 H 3.103 0.030 2 1614 151 153 PHE HD1 H 7.186 0.030 1 1615 151 153 PHE HD2 H 7.186 0.030 1 1616 151 153 PHE HE1 H 7.257 0.030 1 1617 151 153 PHE HE2 H 7.257 0.030 1 1618 151 153 PHE C C 175.239 0.300 1 1619 151 153 PHE CA C 58.174 0.300 1 1620 151 153 PHE CB C 39.608 0.300 1 1621 151 153 PHE CD1 C 131.457 0.300 1 1622 151 153 PHE CD2 C 131.457 0.300 1 1623 151 153 PHE CE1 C 129.604 0.300 1 1624 151 153 PHE CE2 C 129.604 0.300 1 1625 151 153 PHE N N 122.728 0.300 1 1626 152 154 ALA H H 8.052 0.030 1 1627 152 154 ALA HA H 4.242 0.030 1 1628 152 154 ALA HB H 1.295 0.030 1 1629 152 154 ALA C C 177.172 0.300 1 1630 152 154 ALA CA C 52.405 0.300 1 1631 152 154 ALA CB C 19.277 0.300 1 1632 152 154 ALA N N 126.112 0.300 1 1633 153 155 SER H H 8.109 0.030 1 1634 153 155 SER HA H 4.319 0.030 1 1635 153 155 SER HB2 H 3.846 0.030 1 1636 153 155 SER HB3 H 3.846 0.030 1 1637 153 155 SER C C 174.600 0.300 1 1638 153 155 SER CA C 58.533 0.300 1 1639 153 155 SER CB C 63.701 0.300 1 1640 153 155 SER N N 115.273 0.300 1 1641 154 156 LYS H H 8.322 0.030 1 1642 154 156 LYS HA H 4.300 0.030 1 1643 154 156 LYS HD2 H 1.660 0.030 1 1644 154 156 LYS HD3 H 1.660 0.030 1 1645 154 156 LYS HE2 H 2.958 0.030 1 1646 154 156 LYS HE3 H 2.958 0.030 1 1647 154 156 LYS C C 176.600 0.300 1 1648 154 156 LYS CA C 56.293 0.300 1 1649 154 156 LYS CB C 32.397 0.300 1 1650 154 156 LYS CD C 29.263 0.300 1 1651 154 156 LYS N N 123.102 0.300 1 1652 155 157 ILE H H 8.106 0.030 1 1653 155 157 ILE HA H 4.121 0.030 1 1654 155 157 ILE HB H 1.834 0.030 1 1655 155 157 ILE HG12 H 1.161 0.030 1 1656 155 157 ILE HG13 H 1.161 0.030 1 1657 155 157 ILE HG2 H 0.860 0.030 1 1658 155 157 ILE HD1 H 0.820 0.030 1 1659 155 157 ILE C C 176.300 0.300 1 1660 155 157 ILE CA C 61.239 0.300 1 1661 155 157 ILE CB C 38.614 0.300 1 1662 155 157 ILE CG1 C 27.323 0.300 1 1663 155 157 ILE CG2 C 17.500 0.300 1 1664 155 157 ILE CD1 C 12.800 0.300 1 1665 155 157 ILE N N 121.767 0.300 1 1666 156 158 GLN H H 8.427 0.030 1 1667 156 158 GLN HA H 4.277 0.030 1 1668 156 158 GLN HG2 H 2.341 0.030 1 1669 156 158 GLN HG3 H 2.341 0.030 1 1670 156 158 GLN C C 176.313 0.300 1 1671 156 158 GLN CA C 56.303 0.300 1 1672 156 158 GLN CB C 29.475 0.300 1 1673 156 158 GLN CG C 33.774 0.300 1 1674 156 158 GLN N N 124.231 0.300 1 1675 157 159 GLY H H 8.443 0.030 1 1676 157 159 GLY HA2 H 3.920 0.030 1 1677 157 159 GLY HA3 H 3.920 0.030 1 1678 157 159 GLY C C 173.864 0.300 1 1679 157 159 GLY CA C 45.351 0.300 1 1680 157 159 GLY N N 110.444 0.300 1 1681 158 160 GLN H H 8.208 0.030 1 1682 158 160 GLN HA H 4.345 0.030 1 1683 158 160 GLN HB2 H 1.975 0.030 2 1684 158 160 GLN HB3 H 2.070 0.030 2 1685 158 160 GLN HG2 H 2.329 0.030 1 1686 158 160 GLN HG3 H 2.329 0.030 1 1687 158 160 GLN HE21 H 7.423 0.030 2 1688 158 160 GLN HE22 H 6.803 0.030 2 1689 158 160 GLN C C 176.141 0.300 1 1690 158 160 GLN CA C 55.863 0.300 1 1691 158 160 GLN CB C 29.451 0.300 1 1692 158 160 GLN CG C 33.804 0.300 1 1693 158 160 GLN N N 120.178 0.300 1 1694 158 160 GLN NE2 N 112.089 0.300 1 1695 159 161 VAL H H 8.216 0.030 1 1696 159 161 VAL HA H 4.069 0.030 1 1697 159 161 VAL HB H 2.057 0.030 1 1698 159 161 VAL HG1 H 0.909 0.030 2 1699 159 161 VAL HG2 H 0.903 0.030 2 1700 159 161 VAL C C 175.798 0.300 1 1701 159 161 VAL CA C 62.507 0.300 1 1702 159 161 VAL CB C 32.825 0.300 1 1703 159 161 VAL CG1 C 20.519 0.300 2 1704 159 161 VAL CG2 C 21.182 0.300 2 1705 159 161 VAL N N 121.189 0.300 1 1706 160 162 ASP H H 8.379 0.030 1 1707 160 162 ASP HA H 4.568 0.030 1 1708 160 162 ASP HB2 H 2.582 0.030 2 1709 160 162 ASP HB3 H 2.665 0.030 2 1710 160 162 ASP C C 176.100 0.300 1 1711 160 162 ASP CA C 54.572 0.300 1 1712 160 162 ASP CB C 41.204 0.300 1 1713 160 162 ASP N N 123.573 0.300 1 1714 161 163 LYS H H 8.202 0.030 1 1715 161 163 LYS HA H 4.260 0.030 1 1716 161 163 LYS HG2 H 1.412 0.030 1 1717 161 163 LYS HG3 H 1.412 0.030 1 1718 161 163 LYS C C 176.528 0.300 1 1719 161 163 LYS CA C 56.608 0.300 1 1720 161 163 LYS CB C 32.912 0.300 1 1721 161 163 LYS CG C 24.607 0.300 1 1722 161 163 LYS N N 121.372 0.300 1 1723 162 164 ILE H H 8.102 0.030 1 1724 162 164 ILE HA H 4.088 0.030 1 1725 162 164 ILE HB H 1.834 0.030 1 1726 162 164 ILE HG12 H 1.160 0.030 1 1727 162 164 ILE HG13 H 1.160 0.030 1 1728 162 164 ILE HG2 H 0.858 0.030 1 1729 162 164 ILE HD1 H 0.825 0.030 1 1730 162 164 ILE C C 176.399 0.300 1 1731 162 164 ILE CA C 61.221 0.300 1 1732 162 164 ILE CB C 38.589 0.300 1 1733 162 164 ILE CG1 C 27.311 0.300 1 1734 162 164 ILE CG2 C 17.500 0.300 1 1735 162 164 ILE CD1 C 12.600 0.300 1 1736 162 164 ILE N N 121.753 0.300 1 1737 163 165 LYS H H 8.381 0.030 1 1738 163 165 LYS HA H 4.257 0.030 1 1739 163 165 LYS HB2 H 1.770 0.030 1 1740 163 165 LYS HB3 H 1.770 0.030 1 1741 163 165 LYS C C 177.086 0.300 1 1742 163 165 LYS CA C 56.612 0.300 1 1743 163 165 LYS CB C 32.932 0.300 1 1744 163 165 LYS N N 125.333 0.300 1 1745 164 166 GLY H H 8.410 0.030 1 1746 164 166 GLY HA2 H 3.932 0.030 1 1747 164 166 GLY HA3 H 3.932 0.030 1 1748 164 166 GLY C C 173.864 0.300 1 1749 164 166 GLY CA C 45.302 0.300 1 1750 164 166 GLY N N 110.593 0.300 1 1751 165 167 ALA H H 8.249 0.030 1 1752 165 167 ALA HA H 4.331 0.030 1 1753 165 167 ALA HB H 1.369 0.030 1 1754 165 167 ALA C C 178.289 0.300 1 1755 165 167 ALA CA C 52.630 0.300 1 1756 165 167 ALA CB C 19.298 0.300 1 1757 165 167 ALA N N 123.848 0.300 1 1758 166 168 GLY H H 8.470 0.030 1 1759 166 168 GLY HA2 H 3.929 0.030 1 1760 166 168 GLY HA3 H 3.929 0.030 1 1761 166 168 GLY C C 174.637 0.300 1 1762 166 168 GLY CA C 45.288 0.300 1 1763 166 168 GLY N N 108.206 0.300 1 1764 167 169 GLY H H 8.235 0.030 1 1765 167 169 GLY HA2 H 3.936 0.030 1 1766 167 169 GLY HA3 H 3.936 0.030 1 1767 167 169 GLY C C 173.821 0.300 1 1768 167 169 GLY CA C 45.303 0.300 1 1769 167 169 GLY N N 108.619 0.300 1 1770 168 170 ASP H H 8.320 0.030 1 1771 168 170 ASP HA H 4.603 0.030 1 1772 168 170 ASP CA C 54.343 0.300 1 1773 168 170 ASP CB C 40.907 0.300 1 1774 168 170 ASP N N 120.478 0.300 1 stop_ save_