data_18794 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of module 2 from the E1 domain of C. elegans APL-1 ; _BMRB_accession_number 18794 _BMRB_flat_file_name bmr18794.str _Entry_type original _Submission_date 2012-10-20 _Accession_date 2012-10-20 _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 Hinds Mark G. . 2 Leong 'Su Ling' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 391 "13C chemical shifts" 252 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-01 update BMRB 'update entry citation' 2013-10-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Quantification of copper binding to amyloid precursor protein domain 2 and its Caenorhabditis elegans ortholog. Implications for biological function.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24276282 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leong 'Su Ling' . . 2 Young Tessa R. . 3 Barnham Kevin J. . 4 Wedd Anthony G. . 5 Hinds Mark G. . 6 Xiao Zhiguang . . 7 Cappai Roberto . . stop_ _Journal_abbreviation Metallomics _Journal_name_full 'Metallomics : integrated biometal science' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 105 _Page_last 116 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'module 2 from the E1 domain of C. elegans APL-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'module 2 from the E1 domain of C. elegans APL-1' $APL1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_APL1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 7428.485 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; EACQFSHVNSRDQCNDYQHW KDEAGKQCKTKKSKGNKDMI VRSFAVLEPCALDMFTGVEF VCCPN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 133 GLU 2 134 ALA 3 135 CYS 4 136 GLN 5 137 PHE 6 138 SER 7 139 HIS 8 140 VAL 9 141 ASN 10 142 SER 11 143 ARG 12 144 ASP 13 145 GLN 14 146 CYS 15 147 ASN 16 148 ASP 17 149 TYR 18 150 GLN 19 151 HIS 20 152 TRP 21 153 LYS 22 154 ASP 23 155 GLU 24 156 ALA 25 157 GLY 26 158 LYS 27 159 GLN 28 160 CYS 29 161 LYS 30 162 THR 31 163 LYS 32 164 LYS 33 165 SER 34 166 LYS 35 167 GLY 36 168 ASN 37 169 LYS 38 170 ASP 39 171 MET 40 172 ILE 41 173 VAL 42 174 ARG 43 175 SER 44 176 PHE 45 177 ALA 46 178 VAL 47 179 LEU 48 180 GLU 49 181 PRO 50 182 CYS 51 183 ALA 52 184 LEU 53 185 ASP 54 186 MET 55 187 PHE 56 188 THR 57 189 GLY 58 190 VAL 59 191 GLU 60 192 PHE 61 193 VAL 62 194 CYS 63 195 CYS 64 196 PRO 65 197 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M05 "Structure Of Module 2 From The E1 Domain Of C. Elegans Apl-1" 100.00 65 100.00 100.00 2.23e-40 EMBL CCD65568 "Beta-amyloid-like protein [Caenorhabditis elegans]" 96.92 686 100.00 100.00 2.03e-37 EMBL CCD65569 "Beta-amyloid-like protein [Caenorhabditis elegans]" 96.92 684 100.00 100.00 2.04e-37 GB AAC46470 "beta-amyloid protein precursor [Caenorhabditis elegans]" 96.92 680 100.00 100.00 1.91e-37 REF NP_508870 "Beta-amyloid-like protein [Caenorhabditis elegans]" 96.92 686 100.00 100.00 2.03e-37 REF NP_508871 "Beta-amyloid-like protein [Caenorhabditis elegans]" 96.92 684 100.00 100.00 2.04e-37 SP Q10651 "RecName: Full=Beta-amyloid-like protein; Flags: Precursor" 96.92 686 100.00 100.00 2.03e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $APL1 'Caenorhabditis elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $APL1 'recombinant technology' . Pichia pastoris GS115 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'residues 133-196 of C. elegans APL-1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $APL1 0.5 mM 'natural abundance' $APL1 0.5 mM '[U-100% 15N]' $APL1 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker AG' . . stop_ loop_ _Task collection stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XPLOR-NIH _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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '10 mM sodium phosphate pH 6.9' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.9 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbons' ppm 0 internal indirect . . . 1.0 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 nitrogen ppm 0 internal indirect . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'module 2 from the E1 domain of C. elegans APL-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 1 133 1 GLU HA H 3.915 0.020 1 2 133 1 GLU HB2 H 2.088 0.020 1 3 133 1 GLU HB3 H 2.088 0.020 1 4 133 1 GLU HG2 H 2.402 0.020 1 5 133 1 GLU HG3 H 2.402 0.020 1 6 133 1 GLU CA C 56.038 0.400 1 7 133 1 GLU CB C 31.334 0.400 1 8 133 1 GLU CG C 36.178 0.400 1 9 134 2 ALA H H 7.972 0.020 1 10 134 2 ALA HA H 4.460 0.020 1 11 134 2 ALA HB H 1.488 0.020 1 12 134 2 ALA CA C 52.163 0.400 1 13 134 2 ALA CB C 19.708 0.400 1 14 135 3 CYS H H 8.498 0.020 1 15 135 3 CYS HA H 5.102 0.020 1 16 135 3 CYS HB2 H 2.932 0.020 2 17 135 3 CYS HB3 H 3.273 0.020 2 18 135 3 CYS C C 173.377 0.400 1 19 135 3 CYS CA C 57.975 0.400 1 20 135 3 CYS CB C 46.350 0.400 1 21 135 3 CYS N N 117.054 0.400 1 22 136 4 GLN H H 9.304 0.020 1 23 136 4 GLN HA H 4.706 0.020 1 24 136 4 GLN HB2 H 1.590 0.020 2 25 136 4 GLN HB3 H 2.142 0.020 2 26 136 4 GLN HG2 H 2.270 0.020 2 27 136 4 GLN HG3 H 2.350 0.020 2 28 136 4 GLN HE21 H 7.644 0.020 2 29 136 4 GLN HE22 H 6.936 0.020 2 30 136 4 GLN C C 174.263 0.400 1 31 136 4 GLN CA C 54.585 0.400 1 32 136 4 GLN CB C 32.302 0.400 1 33 136 4 GLN CG C 33.271 0.400 1 34 136 4 GLN N N 119.289 0.400 1 35 136 4 GLN NE2 N 112.243 0.400 1 36 137 5 PHE H H 8.930 0.020 1 37 137 5 PHE HA H 5.178 0.020 1 38 137 5 PHE HB2 H 2.958 0.020 2 39 137 5 PHE HB3 H 3.067 0.020 2 40 137 5 PHE HD1 H 7.137 0.020 1 41 137 5 PHE HD2 H 7.137 0.020 1 42 137 5 PHE HE1 H 7.162 0.020 1 43 137 5 PHE HE2 H 7.162 0.020 1 44 137 5 PHE HZ H 7.189 0.020 1 45 137 5 PHE C C 175.508 0.400 1 46 137 5 PHE CA C 56.522 0.400 1 47 137 5 PHE CB C 40.537 0.400 1 48 137 5 PHE N N 126.361 0.400 1 49 138 6 SER H H 8.157 0.020 1 50 138 6 SER HA H 4.331 0.020 1 51 138 6 SER HB2 H 2.925 0.020 2 52 138 6 SER HB3 H 3.133 0.020 2 53 138 6 SER C C 170.416 0.400 1 54 138 6 SER CA C 57.007 0.400 1 55 138 6 SER CB C 65.241 0.400 1 56 138 6 SER N N 119.986 0.400 1 57 139 7 HIS H H 8.013 0.020 1 58 139 7 HIS HA H 4.902 0.020 1 59 139 7 HIS HB2 H 2.938 0.020 2 60 139 7 HIS HB3 H 3.091 0.020 2 61 139 7 HIS HD2 H 6.815 0.020 1 62 139 7 HIS HE1 H 8.045 0.020 1 63 139 7 HIS C C 173.392 0.400 1 64 139 7 HIS CA C 55.069 0.400 1 65 139 7 HIS CB C 31.818 0.400 1 66 140 8 VAL H H 8.899 0.020 1 67 140 8 VAL HA H 4.279 0.020 1 68 140 8 VAL HB H 2.146 0.020 1 69 140 8 VAL HG1 H 1.090 0.020 2 70 140 8 VAL HG2 H 1.140 0.020 2 71 140 8 VAL C C 173.600 0.400 1 72 140 8 VAL CA C 61.850 0.400 1 73 140 8 VAL CB C 34.724 0.400 1 74 140 8 VAL CG1 C 20.677 0.400 1 75 140 8 VAL CG2 C 21.161 0.400 1 76 140 8 VAL N N 122.103 0.400 1 77 141 9 ASN H H 8.622 0.020 1 78 141 9 ASN HA H 5.121 0.020 1 79 141 9 ASN HB2 H 2.461 0.020 2 80 141 9 ASN HB3 H 2.708 0.020 2 81 141 9 ASN HD21 H 7.455 0.020 2 82 141 9 ASN HD22 H 6.879 0.020 2 83 141 9 ASN C C 174.540 0.400 1 84 141 9 ASN CA C 52.647 0.400 1 85 141 9 ASN CB C 41.021 0.400 1 86 141 9 ASN N N 122.599 0.400 1 87 141 9 ASN ND2 N 111.604 0.400 1 88 142 10 SER H H 8.733 0.020 1 89 142 10 SER HA H 4.706 0.020 1 90 142 10 SER HB2 H 3.999 0.020 2 91 142 10 SER HB3 H 4.093 0.020 2 92 142 10 SER C C 174.769 0.400 1 93 142 10 SER CA C 57.491 0.400 1 94 142 10 SER CB C 64.757 0.400 1 95 142 10 SER N N 118.090 0.400 1 96 143 11 ARG H H 8.818 0.020 1 97 143 11 ARG HA H 4.265 0.020 1 98 143 11 ARG HB2 H 1.883 0.020 2 99 143 11 ARG HB3 H 1.941 0.020 2 100 143 11 ARG HG2 H 1.695 0.020 2 101 143 11 ARG HG3 H 1.728 0.020 2 102 143 11 ARG HD2 H 3.243 0.020 1 103 143 11 ARG HD3 H 3.243 0.020 1 104 143 11 ARG C C 176.454 0.400 1 105 143 11 ARG CA C 57.975 0.400 1 106 143 11 ARG CB C 29.396 0.400 1 107 143 11 ARG CG C 26.490 0.400 1 108 143 11 ARG CD C 42.959 0.400 1 109 143 11 ARG N N 122.211 0.400 1 110 144 12 ASP H H 8.449 0.020 1 111 144 12 ASP HA H 4.655 0.020 1 112 144 12 ASP HB2 H 2.721 0.020 2 113 144 12 ASP HB3 H 2.775 0.020 2 114 144 12 ASP C C 175.611 0.400 1 115 144 12 ASP CA C 54.585 0.400 1 116 144 12 ASP CB C 41.021 0.400 1 117 144 12 ASP N N 116.920 0.400 1 118 145 13 GLN H H 7.968 0.020 1 119 145 13 GLN HA H 4.523 0.020 1 120 145 13 GLN HB2 H 2.170 0.020 1 121 145 13 GLN HB3 H 2.170 0.020 1 122 145 13 GLN HG2 H 2.327 0.020 2 123 145 13 GLN HG3 H 2.389 0.020 2 124 145 13 GLN HE21 H 7.567 0.020 2 125 145 13 GLN HE22 H 6.771 0.020 2 126 145 13 GLN C C 174.263 0.400 1 127 145 13 GLN CA C 55.069 0.400 1 128 145 13 GLN CB C 30.365 0.400 1 129 145 13 GLN CG C 33.756 0.400 1 130 145 13 GLN N N 119.023 0.400 1 131 145 13 GLN NE2 N 112.544 0.400 1 132 146 14 CYS H H 8.221 0.020 1 133 146 14 CYS HA H 4.907 0.020 1 134 146 14 CYS HB2 H 2.824 0.020 2 135 146 14 CYS HB3 H 3.066 0.020 2 136 146 14 CYS C C 174.263 0.400 1 137 146 14 CYS CA C 56.038 0.400 1 138 146 14 CYS CB C 41.021 0.400 1 139 146 14 CYS N N 120.652 0.400 1 140 147 15 ASN H H 9.126 0.020 1 141 147 15 ASN HA H 5.168 0.020 1 142 147 15 ASN HB2 H 1.783 0.020 2 143 147 15 ASN HB3 H 1.966 0.020 2 144 147 15 ASN HD21 H 6.564 0.020 2 145 147 15 ASN HD22 H 5.933 0.020 2 146 147 15 ASN C C 174.574 0.400 1 147 147 15 ASN CA C 52.647 0.400 1 148 147 15 ASN CB C 43.928 0.400 1 149 147 15 ASN N N 123.095 0.400 1 150 147 15 ASN ND2 N 111.507 0.400 1 151 148 16 ASP H H 9.053 0.020 1 152 148 16 ASP HA H 5.141 0.020 1 153 148 16 ASP HB2 H 2.906 0.020 2 154 148 16 ASP HB3 H 3.614 0.020 2 155 148 16 ASP C C 174.302 0.400 1 156 148 16 ASP CA C 53.616 0.400 1 157 148 16 ASP CB C 41.990 0.400 1 158 148 16 ASP N N 121.585 0.400 1 159 149 17 TYR H H 9.149 0.020 1 160 149 17 TYR HA H 4.257 0.020 1 161 149 17 TYR HB2 H 3.265 0.020 2 162 149 17 TYR HB3 H 3.462 0.020 2 163 149 17 TYR HD1 H 7.102 0.020 1 164 149 17 TYR HD2 H 7.102 0.020 1 165 149 17 TYR HE1 H 6.888 0.020 1 166 149 17 TYR HE2 H 6.888 0.020 1 167 149 17 TYR C C 176.830 0.400 1 168 149 17 TYR CA C 63.304 0.400 1 169 149 17 TYR CB C 39.568 0.400 1 170 149 17 TYR N N 118.208 0.400 1 171 150 18 GLN H H 8.493 0.020 1 172 150 18 GLN HA H 3.743 0.020 1 173 150 18 GLN HB2 H 2.132 0.020 2 174 150 18 GLN HB3 H 2.302 0.020 2 175 150 18 GLN HG2 H 2.393 0.020 2 176 150 18 GLN HG3 H 2.521 0.020 2 177 150 18 GLN HE21 H 7.845 0.020 2 178 150 18 GLN HE22 H 6.864 0.020 2 179 150 18 GLN C C 177.504 0.400 1 180 150 18 GLN CA C 58.944 0.400 1 181 150 18 GLN CB C 27.458 0.400 1 182 150 18 GLN CG C 33.271 0.400 1 183 150 18 GLN N N 117.068 0.400 1 184 150 18 GLN NE2 N 114.751 0.400 1 185 151 19 HIS H H 8.382 0.020 1 186 151 19 HIS HA H 3.968 0.020 1 187 151 19 HIS HB2 H 2.928 0.020 2 188 151 19 HIS HB3 H 2.975 0.020 2 189 151 19 HIS C C 178.398 0.400 1 190 151 19 HIS CA C 59.913 0.400 1 191 151 19 HIS CB C 28.912 0.400 1 192 151 19 HIS N N 118.964 0.400 1 193 152 20 TRP H H 7.639 0.020 1 194 152 20 TRP HA H 4.593 0.020 1 195 152 20 TRP HB2 H 3.019 0.020 2 196 152 20 TRP HB3 H 3.123 0.020 2 197 152 20 TRP HD1 H 7.171 0.020 1 198 152 20 TRP HE1 H 9.463 0.020 1 199 152 20 TRP HE3 H 7.428 0.020 1 200 152 20 TRP HZ2 H 7.580 0.020 1 201 152 20 TRP HZ3 H 7.104 0.020 1 202 152 20 TRP HH2 H 7.246 0.020 1 203 152 20 TRP C C 177.283 0.400 1 204 152 20 TRP CA C 58.460 0.400 1 205 152 20 TRP CB C 29.880 0.400 1 206 152 20 TRP N N 119.208 0.400 1 207 152 20 TRP NE1 N 128.671 0.400 1 208 153 21 LYS H H 8.469 0.020 1 209 153 21 LYS HA H 2.568 0.020 1 210 153 21 LYS HB2 H 1.150 0.020 2 211 153 21 LYS HB3 H 1.665 0.020 2 212 153 21 LYS HG2 H 0.790 0.020 2 213 153 21 LYS HG3 H 0.943 0.020 2 214 153 21 LYS HD2 H 1.600 0.020 2 215 153 21 LYS HD3 H 1.670 0.020 2 216 153 21 LYS HE2 H 2.979 0.020 1 217 153 21 LYS HE3 H 2.979 0.020 1 218 153 21 LYS C C 179.409 0.400 1 219 153 21 LYS CA C 59.428 0.400 1 220 153 21 LYS CB C 31.818 0.400 1 221 153 21 LYS CG C 24.068 0.400 1 222 153 21 LYS CD C 29.396 0.400 1 223 153 21 LYS CE C 41.990 0.400 1 224 153 21 LYS N N 122.259 0.400 1 225 154 22 ASP H H 8.097 0.020 1 226 154 22 ASP HA H 4.184 0.020 1 227 154 22 ASP HB2 H 2.393 0.020 2 228 154 22 ASP HB3 H 2.615 0.020 2 229 154 22 ASP C C 179.046 0.400 1 230 154 22 ASP CA C 57.007 0.400 1 231 154 22 ASP CB C 39.568 0.400 1 232 154 22 ASP N N 120.289 0.400 1 233 155 23 GLU H H 8.264 0.020 1 234 155 23 GLU HA H 3.825 0.020 1 235 155 23 GLU HB2 H 1.880 0.020 2 236 155 23 GLU HB3 H 2.024 0.020 2 237 155 23 GLU HG2 H 1.998 0.020 2 238 155 23 GLU HG3 H 2.314 0.020 2 239 155 23 GLU C C 177.841 0.400 1 240 155 23 GLU CA C 58.944 0.400 1 241 155 23 GLU CB C 29.396 0.400 1 242 155 23 GLU CG C 34.724 0.400 1 243 155 23 GLU N N 123.229 0.400 1 244 156 24 ALA H H 8.086 0.020 1 245 156 24 ALA HA H 2.681 0.020 1 246 156 24 ALA HB H 0.820 0.020 1 247 156 24 ALA C C 178.190 0.400 1 248 156 24 ALA CA C 55.069 0.400 1 249 156 24 ALA CB C 17.286 0.400 1 250 156 24 ALA N N 121.555 0.400 1 251 157 25 GLY H H 7.258 0.020 1 252 157 25 GLY HA2 H 3.420 0.020 2 253 157 25 GLY HA3 H 3.730 0.020 2 254 157 25 GLY C C 176.493 0.400 1 255 157 25 GLY CA C 47.319 0.400 1 256 157 25 GLY N N 101.908 0.400 1 257 158 26 LYS H H 7.926 0.020 1 258 158 26 LYS HA H 3.822 0.020 1 259 158 26 LYS HB2 H 1.769 0.020 1 260 158 26 LYS HB3 H 1.769 0.020 1 261 158 26 LYS HG2 H 1.242 0.020 2 262 158 26 LYS HG3 H 1.429 0.020 2 263 158 26 LYS HD2 H 1.556 0.020 1 264 158 26 LYS HD3 H 1.556 0.020 1 265 158 26 LYS HE2 H 2.790 0.020 1 266 158 26 LYS HE3 H 2.790 0.020 1 267 158 26 LYS C C 179.681 0.400 1 268 158 26 LYS CA C 59.428 0.400 1 269 158 26 LYS CB C 33.271 0.400 1 270 158 26 LYS CG C 25.036 0.400 1 271 158 26 LYS CD C 28.912 0.400 1 272 158 26 LYS CE C 41.506 0.400 1 273 158 26 LYS N N 122.644 0.400 1 274 159 27 GLN H H 8.385 0.020 1 275 159 27 GLN HA H 3.901 0.020 1 276 159 27 GLN HB2 H 1.576 0.020 2 277 159 27 GLN HB3 H 2.094 0.020 2 278 159 27 GLN HG2 H 2.144 0.020 2 279 159 27 GLN HG3 H 2.263 0.020 2 280 159 27 GLN HE21 H 8.274 0.020 2 281 159 27 GLN HE22 H 6.757 0.020 2 282 159 27 GLN C C 180.679 0.400 1 283 159 27 GLN CA C 58.460 0.400 1 284 159 27 GLN CB C 27.458 0.400 1 285 159 27 GLN CG C 32.787 0.400 1 286 159 27 GLN N N 118.097 0.400 1 287 159 27 GLN NE2 N 113.292 0.400 1 288 160 28 CYS H H 8.235 0.020 1 289 160 28 CYS HA H 4.675 0.020 1 290 160 28 CYS HB2 H 2.563 0.020 2 291 160 28 CYS HB3 H 2.623 0.020 2 292 160 28 CYS C C 175.806 0.400 1 293 160 28 CYS CA C 55.069 0.400 1 294 160 28 CYS CB C 33.271 0.400 1 295 160 28 CYS N N 116.111 0.400 1 296 161 29 LYS H H 7.562 0.020 1 297 161 29 LYS HA H 4.265 0.020 1 298 161 29 LYS HB2 H 1.895 0.020 1 299 161 29 LYS HB3 H 1.895 0.020 1 300 161 29 LYS HG2 H 1.567 0.020 1 301 161 29 LYS HG3 H 1.567 0.020 1 302 161 29 LYS HD2 H 1.622 0.020 1 303 161 29 LYS HD3 H 1.622 0.020 1 304 161 29 LYS HE2 H 2.946 0.020 1 305 161 29 LYS HE3 H 2.946 0.020 1 306 161 29 LYS C C 176.998 0.400 1 307 161 29 LYS CA C 58.944 0.400 1 308 161 29 LYS CB C 32.302 0.400 1 309 161 29 LYS CG C 25.036 0.400 1 310 161 29 LYS CD C 28.912 0.400 1 311 161 29 LYS CE C 42.475 0.400 1 312 161 29 LYS N N 117.831 0.400 1 313 162 30 THR H H 7.294 0.020 1 314 162 30 THR HA H 4.183 0.020 1 315 162 30 THR HB H 4.377 0.020 1 316 162 30 THR HG2 H 1.319 0.020 1 317 162 30 THR C C 175.313 0.400 1 318 162 30 THR CA C 62.819 0.400 1 319 162 30 THR CB C 70.085 0.400 1 320 162 30 THR CG2 C 21.161 0.400 1 321 162 30 THR N N 107.472 0.400 1 322 163 31 LYS H H 7.514 0.020 1 323 163 31 LYS HA H 4.404 0.020 1 324 163 31 LYS HB2 H 1.828 0.020 2 325 163 31 LYS HB3 H 1.962 0.020 2 326 163 31 LYS HG2 H 1.598 0.020 1 327 163 31 LYS HG3 H 1.598 0.020 1 328 163 31 LYS HD2 H 1.690 0.020 1 329 163 31 LYS HD3 H 1.690 0.020 1 330 163 31 LYS HE2 H 2.922 0.020 1 331 163 31 LYS HE3 H 2.922 0.020 1 332 163 31 LYS C C 175.041 0.400 1 333 163 31 LYS CA C 55.553 0.400 1 334 163 31 LYS CB C 33.271 0.400 1 335 163 31 LYS CG C 25.521 0.400 1 336 163 31 LYS CD C 28.427 0.400 1 337 163 31 LYS CE C 42.475 0.400 1 338 163 31 LYS N N 123.118 0.400 1 339 164 32 LYS H H 8.163 0.020 1 340 164 32 LYS HA H 4.980 0.020 1 341 164 32 LYS HB2 H 1.683 0.020 2 342 164 32 LYS HB3 H 1.834 0.020 2 343 164 32 LYS HG2 H 1.376 0.020 2 344 164 32 LYS HG3 H 1.485 0.020 2 345 164 32 LYS HD2 H 1.400 0.020 2 346 164 32 LYS HD3 H 1.555 0.020 2 347 164 32 LYS HE2 H 2.874 0.020 2 348 164 32 LYS HE3 H 2.974 0.020 2 349 164 32 LYS C C 177.296 0.400 1 350 164 32 LYS CA C 53.616 0.400 1 351 164 32 LYS CB C 34.724 0.400 1 352 164 32 LYS CG C 23.583 0.400 1 353 164 32 LYS CD C 28.427 0.400 1 354 164 32 LYS CE C 41.990 0.400 1 355 164 32 LYS N N 118.897 0.400 1 356 165 33 SER H H 9.057 0.020 1 357 165 33 SER HA H 4.632 0.020 1 358 165 33 SER HB2 H 3.805 0.020 2 359 165 33 SER HB3 H 4.368 0.020 2 360 165 33 SER C C 175.533 0.400 1 361 165 33 SER CA C 57.007 0.400 1 362 165 33 SER CB C 65.241 0.400 1 363 165 33 SER N N 118.127 0.400 1 364 166 34 LYS H H 7.997 0.020 1 365 166 34 LYS HA H 4.155 0.020 1 366 166 34 LYS HB2 H 1.866 0.020 1 367 166 34 LYS HB3 H 1.866 0.020 1 368 166 34 LYS HG2 H 1.474 0.020 2 369 166 34 LYS HG3 H 1.547 0.020 2 370 166 34 LYS HD2 H 1.719 0.020 1 371 166 34 LYS HD3 H 1.719 0.020 1 372 166 34 LYS HE2 H 2.999 0.020 1 373 166 34 LYS HE3 H 2.999 0.020 1 374 166 34 LYS C C 173.900 0.400 1 375 166 34 LYS CA C 58.460 0.400 1 376 166 34 LYS CB C 31.818 0.400 1 377 166 34 LYS CG C 24.552 0.400 1 378 166 34 LYS CD C 28.912 0.400 1 379 166 34 LYS CE C 41.990 0.400 1 380 166 34 LYS N N 116.351 0.400 1 381 167 35 GLY HA2 H 3.832 0.020 2 382 167 35 GLY HA3 H 4.028 0.020 2 383 167 35 GLY C C 173.041 0.400 1 384 167 35 GLY CA C 45.381 0.400 1 385 168 36 ASN H H 8.411 0.020 1 386 168 36 ASN HA H 4.427 0.020 1 387 168 36 ASN HB2 H 2.726 0.020 2 388 168 36 ASN HB3 H 3.172 0.020 2 389 168 36 ASN HD21 H 7.573 0.020 2 390 168 36 ASN HD22 H 6.844 0.020 2 391 168 36 ASN C C 173.967 0.400 1 392 168 36 ASN CA C 54.100 0.400 1 393 168 36 ASN CB C 37.631 0.400 1 394 168 36 ASN N N 117.305 0.400 1 395 168 36 ASN ND2 N 112.063 0.400 1 396 169 37 LYS H H 7.526 0.020 1 397 169 37 LYS HA H 4.544 0.020 1 398 169 37 LYS HB2 H 1.685 0.020 2 399 169 37 LYS HB3 H 1.873 0.020 2 400 169 37 LYS HG2 H 1.367 0.020 2 401 169 37 LYS HG3 H 1.432 0.020 2 402 169 37 LYS HD2 H 1.680 0.020 1 403 169 37 LYS HD3 H 1.680 0.020 1 404 169 37 LYS HE2 H 2.879 0.020 2 405 169 37 LYS HE3 H 2.976 0.020 2 406 169 37 LYS C C 175.844 0.400 1 407 169 37 LYS CA C 55.069 0.400 1 408 169 37 LYS CB C 33.756 0.400 1 409 169 37 LYS CG C 24.552 0.400 1 410 169 37 LYS CD C 28.912 0.400 1 411 169 37 LYS CE C 42.475 0.400 1 412 169 37 LYS N N 118.275 0.400 1 413 170 38 ASP H H 8.422 0.020 1 414 170 38 ASP HA H 4.662 0.020 1 415 170 38 ASP HB2 H 2.545 0.020 2 416 170 38 ASP HB3 H 2.823 0.020 2 417 170 38 ASP C C 175.922 0.400 1 418 170 38 ASP CA C 55.069 0.400 1 419 170 38 ASP CB C 41.506 0.400 1 420 170 38 ASP N N 122.866 0.400 1 421 171 39 MET H H 8.094 0.020 1 422 171 39 MET HA H 4.617 0.020 1 423 171 39 MET HB2 H 2.137 0.020 2 424 171 39 MET HB3 H 2.277 0.020 2 425 171 39 MET HG2 H 2.132 0.020 2 426 171 39 MET HG3 H 2.465 0.020 2 427 171 39 MET HE H 1.912 0.020 1 428 171 39 MET C C 174.393 0.400 1 429 171 39 MET CA C 56.038 0.400 1 430 171 39 MET CB C 34.240 0.400 1 431 171 39 MET CG C 34.240 0.400 1 432 171 39 MET CE C 18.255 0.400 1 433 171 39 MET N N 120.149 0.400 1 434 172 40 ILE H H 8.607 0.020 1 435 172 40 ILE HA H 4.588 0.020 1 436 172 40 ILE HB H 1.801 0.020 1 437 172 40 ILE HG12 H 1.044 0.020 2 438 172 40 ILE HG13 H 1.280 0.020 2 439 172 40 ILE HG2 H 0.822 0.020 1 440 172 40 ILE HD1 H 0.761 0.020 1 441 172 40 ILE C C 175.702 0.400 1 442 172 40 ILE CA C 58.944 0.400 1 443 172 40 ILE CB C 41.990 0.400 1 444 172 40 ILE CG1 C 26.490 0.400 1 445 172 40 ILE CG2 C 18.255 0.400 1 446 172 40 ILE CD1 C 13.895 0.400 1 447 172 40 ILE N N 114.025 0.400 1 448 173 41 VAL H H 8.470 0.020 1 449 173 41 VAL HA H 4.595 0.020 1 450 173 41 VAL HB H 1.966 0.020 1 451 173 41 VAL HG1 H 0.861 0.020 2 452 173 41 VAL HG2 H 0.937 0.020 2 453 173 41 VAL C C 175.780 0.400 1 454 173 41 VAL CA C 62.335 0.400 1 455 173 41 VAL CB C 32.302 0.400 1 456 173 41 VAL CG1 C 22.130 0.400 1 457 173 41 VAL CG2 C 21.161 0.400 1 458 173 41 VAL N N 123.258 0.400 1 459 174 42 ARG H H 9.371 0.020 1 460 174 42 ARG HA H 4.480 0.020 1 461 174 42 ARG HB2 H 1.684 0.020 2 462 174 42 ARG HB3 H 1.791 0.020 2 463 174 42 ARG HG2 H 1.654 0.020 2 464 174 42 ARG HG3 H 1.741 0.020 2 465 174 42 ARG HD2 H 3.281 0.020 2 466 174 42 ARG HD3 H 3.314 0.020 2 467 174 42 ARG C C 175.870 0.400 1 468 174 42 ARG CA C 56.522 0.400 1 469 174 42 ARG CB C 31.818 0.400 1 470 174 42 ARG CG C 26.490 0.400 1 471 174 42 ARG CD C 42.475 0.400 1 472 174 42 ARG N N 130.996 0.400 1 473 175 43 SER H H 7.742 0.020 1 474 175 43 SER HA H 4.699 0.020 1 475 175 43 SER HB2 H 3.839 0.020 1 476 175 43 SER HB3 H 3.839 0.020 1 477 175 43 SER C C 171.725 0.400 1 478 175 43 SER CA C 57.491 0.400 1 479 175 43 SER CB C 64.757 0.400 1 480 175 43 SER N N 110.900 0.400 1 481 176 44 PHE H H 8.234 0.020 1 482 176 44 PHE HA H 5.540 0.020 1 483 176 44 PHE HB2 H 3.014 0.020 1 484 176 44 PHE HB3 H 3.014 0.020 1 485 176 44 PHE HD1 H 6.864 0.020 1 486 176 44 PHE HD2 H 6.864 0.020 1 487 176 44 PHE HE1 H 6.984 0.020 1 488 176 44 PHE HE2 H 6.984 0.020 1 489 176 44 PHE HZ H 7.062 0.020 1 490 176 44 PHE C C 172.941 0.400 1 491 176 44 PHE CA C 57.491 0.400 1 492 176 44 PHE CB C 41.990 0.400 1 493 176 44 PHE N N 117.024 0.400 1 494 177 45 ALA H H 9.206 0.020 1 495 177 45 ALA HA H 4.546 0.020 1 496 177 45 ALA HB H 1.331 0.020 1 497 177 45 ALA C C 176.337 0.400 1 498 177 45 ALA CA C 51.678 0.400 1 499 177 45 ALA CB C 22.130 0.400 1 500 177 45 ALA N N 124.428 0.400 1 501 178 46 VAL H H 7.958 0.020 1 502 178 46 VAL HA H 4.452 0.020 1 503 178 46 VAL HB H 1.545 0.020 1 504 178 46 VAL HG1 H 0.046 0.020 2 505 178 46 VAL HG2 H 0.863 0.020 2 506 178 46 VAL C C 175.844 0.400 1 507 178 46 VAL CA C 61.366 0.400 1 508 178 46 VAL CB C 33.271 0.400 1 509 178 46 VAL CG1 C 16.317 0.400 1 510 178 46 VAL CG2 C 23.099 0.400 1 511 178 46 VAL N N 114.195 0.400 1 512 179 47 LEU H H 7.404 0.020 1 513 179 47 LEU HA H 4.532 0.020 1 514 179 47 LEU HB2 H 1.130 0.020 2 515 179 47 LEU HB3 H 1.465 0.020 2 516 179 47 LEU HG H 1.187 0.020 1 517 179 47 LEU HD1 H 0.549 0.020 2 518 179 47 LEU HD2 H 0.652 0.020 2 519 179 47 LEU C C 175.598 0.400 1 520 179 47 LEU CA C 53.131 0.400 1 521 179 47 LEU CB C 41.506 0.400 1 522 179 47 LEU CG C 26.490 0.400 1 523 179 47 LEU CD1 C 25.521 0.400 1 524 179 47 LEU CD2 C 22.130 0.400 1 525 179 47 LEU N N 119.734 0.400 1 526 180 48 GLU H H 7.962 0.020 1 527 180 48 GLU HA H 4.277 0.020 1 528 180 48 GLU HB2 H 2.114 0.020 1 529 180 48 GLU HB3 H 2.114 0.020 1 530 180 48 GLU HG2 H 2.253 0.020 2 531 180 48 GLU HG3 H 2.340 0.020 2 532 180 48 GLU C C 173.913 0.400 1 533 180 48 GLU CA C 56.522 0.400 1 534 180 48 GLU CB C 28.427 0.400 1 535 180 48 GLU CG C 36.178 0.400 1 536 180 48 GLU N N 116.935 0.400 1 537 181 49 PRO HA H 4.970 0.020 1 538 181 49 PRO HB2 H 1.922 0.020 2 539 181 49 PRO HB3 H 2.461 0.020 2 540 181 49 PRO HG2 H 2.215 0.020 1 541 181 49 PRO HG3 H 2.215 0.020 1 542 181 49 PRO HD2 H 3.802 0.020 2 543 181 49 PRO HD3 H 4.098 0.020 2 544 181 49 PRO C C 177.452 0.400 1 545 181 49 PRO CA C 62.819 0.400 1 546 181 49 PRO CB C 32.302 0.400 1 547 181 49 PRO CG C 27.458 0.400 1 548 181 49 PRO CD C 50.709 0.400 1 549 182 50 CYS H H 8.637 0.020 1 550 182 50 CYS HA H 4.819 0.020 1 551 182 50 CYS HB2 H 3.218 0.020 2 552 182 50 CYS HB3 H 3.319 0.020 2 553 182 50 CYS C C 172.799 0.400 1 554 182 50 CYS CA C 54.585 0.400 1 555 182 50 CYS CB C 46.350 0.400 1 556 182 50 CYS N N 117.875 0.400 1 557 183 51 ALA H H 8.168 0.020 1 558 183 51 ALA HA H 4.247 0.020 1 559 183 51 ALA HB H 1.408 0.020 1 560 183 51 ALA C C 176.078 0.400 1 561 183 51 ALA CA C 51.194 0.400 1 562 183 51 ALA CB C 20.192 0.400 1 563 183 51 ALA N N 124.162 0.400 1 564 184 52 LEU H H 8.320 0.020 1 565 184 52 LEU HA H 4.139 0.020 1 566 184 52 LEU HB2 H 1.576 0.020 2 567 184 52 LEU HB3 H 1.635 0.020 2 568 184 52 LEU HG H 1.575 0.020 1 569 184 52 LEU HD1 H 0.916 0.020 2 570 184 52 LEU HD2 H 0.944 0.020 2 571 184 52 LEU C C 176.933 0.400 1 572 184 52 LEU CA C 57.491 0.400 1 573 184 52 LEU CB C 41.021 0.400 1 574 184 52 LEU CG C 26.490 0.400 1 575 184 52 LEU CD1 C 24.552 0.400 1 576 184 52 LEU CD2 C 24.068 0.400 1 577 184 52 LEU N N 120.704 0.400 1 578 185 53 ASP H H 8.586 0.020 1 579 185 53 ASP HA H 4.398 0.020 1 580 185 53 ASP HB2 H 2.913 0.020 2 581 185 53 ASP HB3 H 2.953 0.020 2 582 185 53 ASP C C 174.378 0.400 1 583 185 53 ASP CA C 55.553 0.400 1 584 185 53 ASP CB C 40.053 0.400 1 585 185 53 ASP N N 119.978 0.400 1 586 186 54 MET H H 7.085 0.020 1 587 186 54 MET HA H 4.820 0.020 1 588 186 54 MET HB2 H 1.517 0.020 2 589 186 54 MET HB3 H 1.832 0.020 2 590 186 54 MET HG2 H 2.269 0.020 2 591 186 54 MET HG3 H 2.543 0.020 2 592 186 54 MET HE H 2.036 0.020 1 593 186 54 MET C C 175.365 0.400 1 594 186 54 MET CA C 55.069 0.400 1 595 186 54 MET CB C 38.599 0.400 1 596 186 54 MET CG C 32.302 0.400 1 597 186 54 MET CE C 18.255 0.400 1 598 186 54 MET N N 115.143 0.400 1 599 187 55 PHE H H 9.664 0.020 1 600 187 55 PHE HA H 5.538 0.020 1 601 187 55 PHE HB2 H 2.825 0.020 2 602 187 55 PHE HB3 H 3.474 0.020 2 603 187 55 PHE HD1 H 7.237 0.020 1 604 187 55 PHE HD2 H 7.237 0.020 1 605 187 55 PHE HE1 H 7.504 0.020 1 606 187 55 PHE HE2 H 7.504 0.020 1 607 187 55 PHE HZ H 7.179 0.020 1 608 187 55 PHE C C 177.828 0.400 1 609 187 55 PHE CA C 57.975 0.400 1 610 187 55 PHE CB C 43.928 0.400 1 611 187 55 PHE N N 119.534 0.400 1 612 188 56 THR H H 8.923 0.020 1 613 188 56 THR HA H 4.955 0.020 1 614 188 56 THR HB H 4.714 0.020 1 615 188 56 THR HG2 H 1.390 0.020 1 616 188 56 THR C C 173.317 0.400 1 617 188 56 THR CA C 63.304 0.400 1 618 188 56 THR CB C 70.085 0.400 1 619 188 56 THR CG2 C 22.614 0.400 1 620 188 56 THR N N 113.981 0.400 1 621 189 57 GLY H H 6.724 0.020 1 622 189 57 GLY HA2 H 2.327 0.020 2 623 189 57 GLY HA3 H 4.002 0.020 2 624 189 57 GLY C C 170.234 0.400 1 625 189 57 GLY CA C 44.897 0.400 1 626 189 57 GLY N N 105.991 0.400 1 627 190 58 VAL H H 8.336 0.020 1 628 190 58 VAL HA H 4.874 0.020 1 629 190 58 VAL HB H 1.946 0.020 1 630 190 58 VAL HG1 H 1.068 0.020 2 631 190 58 VAL HG2 H 1.125 0.020 2 632 190 58 VAL C C 182.818 0.400 1 633 190 58 VAL CA C 58.944 0.400 1 634 190 58 VAL CB C 35.209 0.400 1 635 190 58 VAL CG1 C 19.708 0.400 1 636 190 58 VAL CG2 C 22.130 0.400 1 637 190 58 VAL N N 116.180 0.400 1 638 191 59 GLU H H 9.137 0.020 1 639 191 59 GLU HA H 5.134 0.020 1 640 191 59 GLU HB2 H 1.955 0.020 2 641 191 59 GLU HB3 H 2.132 0.020 2 642 191 59 GLU HG2 H 2.232 0.020 2 643 191 59 GLU HG3 H 2.388 0.020 2 644 191 59 GLU C C 174.923 0.400 1 645 191 59 GLU CA C 53.616 0.400 1 646 191 59 GLU CB C 32.787 0.400 1 647 191 59 GLU CG C 35.693 0.400 1 648 191 59 GLU N N 125.398 0.400 1 649 192 60 PHE H H 8.258 0.020 1 650 192 60 PHE HA H 5.462 0.020 1 651 192 60 PHE HB2 H 3.127 0.020 2 652 192 60 PHE HB3 H 3.344 0.020 2 653 192 60 PHE HD1 H 6.898 0.020 1 654 192 60 PHE HD2 H 6.898 0.020 1 655 192 60 PHE HE1 H 6.989 0.020 1 656 192 60 PHE HE2 H 6.989 0.020 1 657 192 60 PHE HZ H 7.061 0.020 1 658 192 60 PHE C C 172.188 0.400 1 659 192 60 PHE CA C 56.038 0.400 1 660 192 60 PHE CB C 41.506 0.400 1 661 192 60 PHE N N 116.876 0.400 1 662 193 61 VAL H H 8.480 0.020 1 663 193 61 VAL HA H 4.759 0.020 1 664 193 61 VAL HB H 1.984 0.020 1 665 193 61 VAL HG1 H 0.850 0.020 2 666 193 61 VAL HG2 H 0.885 0.020 2 667 193 61 VAL C C 175.819 0.400 1 668 193 61 VAL CA C 61.366 0.400 1 669 193 61 VAL CB C 34.240 0.400 1 670 193 61 VAL CG1 C 21.646 0.400 1 671 193 61 VAL CG2 C 21.646 0.400 1 672 193 61 VAL N N 118.786 0.400 1 673 194 62 CYS H H 9.176 0.020 1 674 194 62 CYS HA H 5.879 0.020 1 675 194 62 CYS HB2 H 2.606 0.020 2 676 194 62 CYS HB3 H 2.994 0.020 2 677 194 62 CYS C C 174.790 0.400 1 678 194 62 CYS CA C 51.194 0.400 1 679 194 62 CYS CB C 38.599 0.400 1 680 194 62 CYS N N 125.243 0.400 1 681 195 63 CYS H H 9.619 0.020 1 682 195 63 CYS HA H 5.375 0.020 1 683 195 63 CYS HB2 H 2.616 0.020 2 684 195 63 CYS HB3 H 3.318 0.020 2 685 195 63 CYS C C 171.582 0.400 1 686 195 63 CYS CA C 53.131 0.400 1 687 195 63 CYS CB C 45.381 0.400 1 688 195 63 CYS N N 121.659 0.400 1 689 196 64 PRO HA H 4.734 0.020 1 690 196 64 PRO HB2 H 2.044 0.020 2 691 196 64 PRO HB3 H 2.229 0.020 2 692 196 64 PRO HG2 H 1.908 0.020 2 693 196 64 PRO HG3 H 2.143 0.020 2 694 196 64 PRO HD2 H 3.689 0.020 2 695 196 64 PRO HD3 H 3.811 0.020 2 696 196 64 PRO C C 175.373 0.400 1 697 196 64 PRO CA C 63.304 0.400 1 698 196 64 PRO CB C 32.302 0.400 1 699 196 64 PRO CG C 27.943 0.400 1 700 196 64 PRO CD C 50.709 0.400 1 701 197 65 ASN H H 8.207 0.020 1 702 197 65 ASN HA H 4.393 0.020 1 703 197 65 ASN HB2 H 2.545 0.020 2 704 197 65 ASN HB3 H 2.669 0.020 2 705 197 65 ASN HD21 H 7.534 0.020 2 706 197 65 ASN HD22 H 6.767 0.020 2 707 197 65 ASN C C 179.002 0.400 1 708 197 65 ASN CA C 54.100 0.400 1 709 197 65 ASN CB C 40.537 0.400 1 710 197 65 ASN N N 124.154 0.400 1 711 197 65 ASN ND2 N 112.477 0.400 1 stop_ save_