data_27264 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C resonance assignments for Human prion protein (91-231): wild type (scilicet HuPrPM129) ; _BMRB_accession_number 27264 _BMRB_flat_file_name bmr27264.str _Entry_type original _Submission_date 2017-09-25 _Accession_date 2017-09-25 _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 Zheng Zhen . . 2 Lin Donghai . . 3 Feng Liubin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 766 "13C chemical shifts" 505 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-02 update BMRB 'update entry citation' 2017-10-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27259 '1H, 15N, 13C resonance assignments for Human prion protein (91-231): mutant V127M129 (scilicet HuPrPG127V)' stop_ _Original_release_date 2017-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the complete resistance of the human prion protein mutant G127V to prion disease ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30181558 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Zhen . . 2 Zhang Meilan . . 3 Wang Yongheng . . 4 Ma Rongsheng . . 5 Guo Chenyun . . 6 Feng Liubin . . 7 Wu Jihui . . 8 Yao Hongwei . . 9 Lin Donghai . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 8 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13211 _Page_last 13211 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name HuPrPM129 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HuPrPM129 $HuPrPM129 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_HuPrPM129 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HuPrPM129 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYERESQAYYQRG SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 MET 2 91 GLN 3 92 GLY 4 93 GLY 5 94 GLY 6 95 THR 7 96 HIS 8 97 SER 9 98 GLN 10 99 TRP 11 100 ASN 12 101 LYS 13 102 PRO 14 103 SER 15 104 LYS 16 105 PRO 17 106 LYS 18 107 THR 19 108 ASN 20 109 MET 21 110 LYS 22 111 HIS 23 112 MET 24 113 ALA 25 114 GLY 26 115 ALA 27 116 ALA 28 117 ALA 29 118 ALA 30 119 GLY 31 120 ALA 32 121 VAL 33 122 VAL 34 123 GLY 35 124 GLY 36 125 LEU 37 126 GLY 38 127 GLY 39 128 TYR 40 129 MET 41 130 LEU 42 131 GLY 43 132 SER 44 133 ALA 45 134 MET 46 135 SER 47 136 ARG 48 137 PRO 49 138 ILE 50 139 ILE 51 140 HIS 52 141 PHE 53 142 GLY 54 143 SER 55 144 ASP 56 145 TYR 57 146 GLU 58 147 ASP 59 148 ARG 60 149 TYR 61 150 TYR 62 151 ARG 63 152 GLU 64 153 ASN 65 154 MET 66 155 HIS 67 156 ARG 68 157 TYR 69 158 PRO 70 159 ASN 71 160 GLN 72 161 VAL 73 162 TYR 74 163 TYR 75 164 ARG 76 165 PRO 77 166 MET 78 167 ASP 79 168 GLU 80 169 TYR 81 170 SER 82 171 ASN 83 172 GLN 84 173 ASN 85 174 ASN 86 175 PHE 87 176 VAL 88 177 HIS 89 178 ASP 90 179 CYS 91 180 VAL 92 181 ASN 93 182 ILE 94 183 THR 95 184 ILE 96 185 LYS 97 186 GLN 98 187 HIS 99 188 THR 100 189 VAL 101 190 THR 102 191 THR 103 192 THR 104 193 THR 105 194 LYS 106 195 GLY 107 196 GLU 108 197 ASN 109 198 PHE 110 199 THR 111 200 GLU 112 201 THR 113 202 ASP 114 203 VAL 115 204 LYS 116 205 MET 117 206 MET 118 207 GLU 119 208 ARG 120 209 VAL 121 210 VAL 122 211 GLU 123 212 GLN 124 213 MET 125 214 CYS 126 215 ILE 127 216 THR 128 217 GLN 129 218 TYR 130 219 GLU 131 220 ARG 132 221 GLU 133 222 SER 134 223 GLN 135 224 ALA 136 225 TYR 137 226 TYR 138 227 GLN 139 228 ARG 140 229 GLY 141 230 SER 142 231 SER 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 $HuPrPM129 Human 9606 Eukaryota Metazoa Homo sapiens 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 $HuPrPM129 'recombinant technology' . Escherichia coli . pET30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HuPrPM129 0.5 mM '[U-100% 13C; U-100% 15N]' NaOAc 20 mM 'natural abundance' NaN3 0.2 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(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_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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' 0.02 . M pH 4.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '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 $chem_shift_reference_1 _Mol_system_component_name HuPrPM129 _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 90 1 MET HA H 4.087 0.020 1 2 90 1 MET HB2 H 2.158 0.020 2 3 90 1 MET HB3 H 1.943 0.020 2 4 90 1 MET HG2 H 2.554 0.020 2 5 90 1 MET HG3 H 2.498 0.020 2 6 90 1 MET C C 172.083 0.3 1 7 90 1 MET CA C 54.985 0.3 1 8 90 1 MET CB C 32.408 0.3 1 9 90 1 MET CG C 30.337 0.3 1 10 91 2 GLN H H 8.843 0.020 1 11 91 2 GLN HA H 4.365 0.020 1 12 91 2 GLN HB2 H 2.054 0.020 2 13 91 2 GLN HB3 H 1.989 0.020 2 14 91 2 GLN HG2 H 2.308 0.020 1 15 91 2 GLN HG3 H 2.308 0.020 1 16 91 2 GLN C C 175.877 0.3 1 17 91 2 GLN CA C 55.624 0.3 1 18 91 2 GLN CB C 29.302 0.3 1 19 91 2 GLN CG C 33.244 0.3 1 20 91 2 GLN N N 123.739 0.3 1 21 92 3 GLY H H 8.625 0.020 1 22 92 3 GLY HA2 H 3.933 0.020 1 23 92 3 GLY HA3 H 3.933 0.020 1 24 92 3 GLY C C 174.485 0.3 1 25 92 3 GLY CA C 44.915 0.3 1 26 92 3 GLY N N 111.477 0.3 1 27 93 4 GLY H H 8.357 0.020 1 28 93 4 GLY HA2 H 3.958 0.020 1 29 93 4 GLY HA3 H 3.958 0.020 1 30 93 4 GLY C C 174.665 0.3 1 31 93 4 GLY CA C 44.952 0.3 1 32 93 4 GLY N N 108.638 0.3 1 33 94 5 GLY HA2 H 3.933 0.020 1 34 94 5 GLY HA3 H 3.933 0.020 1 35 94 5 GLY C C 174.665 0.3 1 36 94 5 GLY CA C 44.915 0.3 1 37 95 6 THR H H 8.115 0.020 1 38 95 6 THR HA H 4.230 0.020 1 39 95 6 THR HB H 4.120 0.020 1 40 95 6 THR HG2 H 1.115 0.020 1 41 95 6 THR C C 174.507 0.3 1 42 95 6 THR CA C 61.837 0.3 1 43 95 6 THR CB C 69.357 0.3 1 44 95 6 THR CG2 C 21.538 0.3 1 45 95 6 THR N N 113.257 0.3 1 46 96 7 HIS H H 8.564 0.020 1 47 96 7 HIS HA H 4.676 0.020 1 48 96 7 HIS HB2 H 3.181 0.020 2 49 96 7 HIS HB3 H 3.051 0.020 2 50 96 7 HIS C C 174.328 0.3 1 51 96 7 HIS CA C 54.970 0.3 1 52 96 7 HIS CB C 28.648 0.3 1 53 96 7 HIS N N 120.495 0.3 1 54 97 8 SER H H 8.301 0.020 1 55 97 8 SER HA H 4.308 0.020 1 56 97 8 SER HB2 H 3.745 0.020 1 57 97 8 SER HB3 H 3.745 0.020 1 58 97 8 SER C C 174.328 0.3 1 59 97 8 SER CA C 58.076 0.3 1 60 97 8 SER CB C 63.717 0.3 1 61 97 8 SER N N 117.008 0.3 1 62 98 9 GLN H H 8.462 0.020 1 63 98 9 GLN HA H 4.187 0.020 1 64 98 9 GLN HB2 H 1.932 0.020 2 65 98 9 GLN HB3 H 1.801 0.020 2 66 98 9 GLN HG2 H 2.120 0.020 1 67 98 9 GLN HG3 H 2.120 0.020 1 68 98 9 GLN C C 175.518 0.3 1 69 98 9 GLN CA C 55.624 0.3 1 70 98 9 GLN CB C 28.648 0.3 1 71 98 9 GLN CG C 33.244 0.3 1 72 98 9 GLN N N 122.038 0.3 1 73 99 10 TRP H H 8.105 0.020 1 74 99 10 TRP HA H 4.619 0.020 1 75 99 10 TRP HB2 H 3.238 0.020 2 76 99 10 TRP HB3 H 3.116 0.020 2 77 99 10 TRP C C 175.518 0.3 1 78 99 10 TRP CA C 56.850 0.3 1 79 99 10 TRP CB C 29.302 0.3 1 80 99 10 TRP N N 121.785 0.3 1 81 100 11 ASN H H 8.102 0.020 1 82 100 11 ASN HA H 4.553 0.020 1 83 100 11 ASN HB2 H 2.524 0.020 2 84 100 11 ASN HB3 H 2.495 0.020 2 85 100 11 ASN C C 174.013 0.3 1 86 100 11 ASN CA C 52.436 0.3 1 87 100 11 ASN CB C 38.703 0.3 1 88 100 11 ASN N N 120.621 0.3 1 89 101 12 LYS H H 7.983 0.020 1 90 101 12 LYS HA H 4.373 0.020 1 91 101 12 LYS HB2 H 1.543 0.020 1 92 101 12 LYS HB3 H 1.543 0.020 1 93 101 12 LYS HG2 H 1.329 0.020 1 94 101 12 LYS HG3 H 1.329 0.020 1 95 101 12 LYS HD2 H 1.593 0.020 1 96 101 12 LYS HD3 H 1.593 0.020 1 97 101 12 LYS HE2 H 2.872 0.020 1 98 101 12 LYS HE3 H 2.872 0.020 1 99 101 12 LYS C C 178.796 0.3 1 100 101 12 LYS CA C 53.744 0.3 1 101 101 12 LYS CB C 32.408 0.3 1 102 101 12 LYS N N 122.560 0.3 1 103 102 13 PRO HA H 4.365 0.020 1 104 102 13 PRO HB2 H 2.242 0.020 2 105 102 13 PRO HB3 H 1.867 0.020 2 106 102 13 PRO HG2 H 1.989 0.020 1 107 102 13 PRO HG3 H 1.989 0.020 1 108 102 13 PRO HD2 H 3.715 0.020 2 109 102 13 PRO HD3 H 3.554 0.020 2 110 102 13 PRO C C 176.753 0.3 1 111 102 13 PRO CA C 62.900 0.3 1 112 102 13 PRO CB C 31.672 0.3 1 113 102 13 PRO CG C 27.353 0.3 1 114 102 13 PRO CD C 50.764 0.3 1 115 103 14 SER H H 8.414 0.020 1 116 103 14 SER HA H 4.365 0.020 1 117 103 14 SER HB2 H 3.773 0.020 1 118 103 14 SER HB3 H 3.773 0.020 1 119 103 14 SER C C 173.991 0.3 1 120 103 14 SER CA C 58.076 0.3 1 121 103 14 SER CB C 63.717 0.3 1 122 103 14 SER N N 116.884 0.3 1 123 104 15 LYS H H 8.318 0.020 1 124 104 15 LYS HA H 4.559 0.020 1 125 104 15 LYS HB2 H 1.658 0.020 1 126 104 15 LYS HB3 H 1.658 0.020 1 127 104 15 LYS HG2 H 1.329 0.020 1 128 104 15 LYS HG3 H 1.329 0.020 1 129 104 15 LYS HD2 H 1.606 0.020 1 130 104 15 LYS HD3 H 1.606 0.020 1 131 104 15 LYS HE2 H 2.929 0.020 1 132 104 15 LYS HE3 H 2.929 0.020 1 133 104 15 LYS C C 174.328 0.3 1 134 104 15 LYS CA C 53.744 0.3 1 135 104 15 LYS CB C 32.408 0.3 1 136 104 15 LYS N N 124.102 0.3 1 137 105 16 PRO HA H 4.365 0.020 1 138 105 16 PRO HB2 H 2.242 0.020 2 139 105 16 PRO HB3 H 1.801 0.020 2 140 105 16 PRO HG2 H 1.980 0.020 2 141 105 16 PRO HG3 H 1.932 0.020 2 142 105 16 PRO HD2 H 3.730 0.020 2 143 105 16 PRO HD3 H 3.530 0.020 2 144 105 16 PRO C C 178.616 0.3 1 145 105 16 PRO CA C 62.573 0.3 1 146 105 16 PRO CB C 32.096 0.3 1 147 105 16 PRO CG C 27.353 0.3 1 148 105 16 PRO CD C 50.809 0.3 1 149 106 17 LYS H H 8.509 0.020 1 150 106 17 LYS HA H 4.287 0.020 1 151 106 17 LYS HB2 H 1.801 0.020 2 152 106 17 LYS HB3 H 1.679 0.020 2 153 106 17 LYS HG2 H 1.426 0.020 1 154 106 17 LYS HG3 H 1.426 0.020 1 155 106 17 LYS HD2 H 1.638 0.020 1 156 106 17 LYS HD3 H 1.638 0.020 1 157 106 17 LYS HE2 H 2.992 0.020 1 158 106 17 LYS HE3 H 2.992 0.020 1 159 106 17 LYS C C 176.730 0.3 1 160 106 17 LYS CA C 56.196 0.3 1 161 106 17 LYS CB C 32.408 0.3 1 162 106 17 LYS CG C 24.446 0.3 1 163 106 17 LYS CD C 28.577 0.3 1 164 106 17 LYS N N 122.038 0.3 1 165 107 18 THR H H 8.126 0.020 1 166 107 18 THR HA H 4.259 0.020 1 167 107 18 THR HB H 4.120 0.020 1 168 107 18 THR HG2 H 1.115 0.020 1 169 107 18 THR C C 173.811 0.3 1 170 107 18 THR CA C 61.186 0.3 1 171 107 18 THR CB C 69.361 0.3 1 172 107 18 THR CG2 C 20.926 0.3 1 173 107 18 THR N N 115.209 0.3 1 174 108 19 ASN H H 8.530 0.020 1 175 108 19 ASN HA H 4.659 0.020 1 176 108 19 ASN HB2 H 2.771 0.020 2 177 108 19 ASN HB3 H 2.703 0.020 2 178 108 19 ASN C C 175.001 0.3 1 179 108 19 ASN CA C 53.090 0.3 1 180 108 19 ASN CB C 38.703 0.3 1 181 108 19 ASN N N 121.267 0.3 1 182 109 20 MET H H 8.331 0.020 1 183 109 20 MET HA H 4.365 0.020 1 184 109 20 MET HB2 H 1.989 0.020 2 185 109 20 MET HB3 H 1.867 0.020 2 186 109 20 MET HG2 H 2.492 0.020 2 187 109 20 MET HG3 H 2.430 0.020 2 188 109 20 MET C C 176.034 0.3 1 189 109 20 MET CA C 55.624 0.3 1 190 109 20 MET CB C 32.408 0.3 1 191 109 20 MET CG C 31.484 0.3 1 192 109 20 MET N N 121.138 0.3 1 193 110 21 LYS H H 8.284 0.020 1 194 110 21 LYS HA H 4.178 0.020 1 195 110 21 LYS HB2 H 1.679 0.020 1 196 110 21 LYS HB3 H 1.679 0.020 1 197 110 21 LYS HG2 H 1.303 0.020 1 198 110 21 LYS HG3 H 1.303 0.020 1 199 110 21 LYS HD2 H 1.616 0.020 1 200 110 21 LYS HD3 H 1.616 0.020 1 201 110 21 LYS HE2 H 2.929 0.020 1 202 110 21 LYS HE3 H 2.929 0.020 1 203 110 21 LYS C C 176.034 0.3 1 204 110 21 LYS CA C 56.196 0.3 1 205 110 21 LYS CB C 32.408 0.3 1 206 110 21 LYS CG C 24.446 0.3 1 207 110 21 LYS CD C 28.654 0.3 1 208 110 21 LYS N N 122.172 0.3 1 209 111 22 HIS H H 8.496 0.020 1 210 111 22 HIS HA H 4.602 0.020 1 211 111 22 HIS HB2 H 3.181 0.020 2 212 111 22 HIS HB3 H 3.072 0.020 2 213 111 22 HIS C C 174.148 0.3 1 214 111 22 HIS CA C 54.970 0.3 1 215 111 22 HIS CB C 28.648 0.3 1 216 111 22 HIS N N 119.726 0.3 1 217 112 23 MET H H 8.407 0.020 1 218 112 23 MET HA H 4.401 0.020 1 219 112 23 MET HB2 H 1.989 0.020 2 220 112 23 MET HB3 H 1.875 0.020 2 221 112 23 MET HG2 H 2.495 0.020 2 222 112 23 MET HG3 H 2.438 0.020 2 223 112 23 MET C C 175.518 0.3 1 224 112 23 MET CA C 54.970 0.3 1 225 112 23 MET CB C 32.490 0.3 1 226 112 23 MET CG C 31.484 0.3 1 227 112 23 MET N N 122.558 0.3 1 228 113 24 ALA H H 8.418 0.020 1 229 113 24 ALA HA H 4.243 0.020 1 230 113 24 ALA HB H 1.343 0.020 1 231 113 24 ALA C C 177.943 0.3 1 232 113 24 ALA CA C 52.436 0.3 1 233 113 24 ALA CB C 18.675 0.3 1 234 113 24 ALA N N 125.795 0.3 1 235 114 25 GLY H H 8.385 0.020 1 236 114 25 GLY HA2 H 3.867 0.020 1 237 114 25 GLY HA3 H 3.867 0.020 1 238 114 25 GLY C C 173.811 0.3 1 239 114 25 GLY CA C 44.915 0.3 1 240 114 25 GLY N N 108.503 0.3 1 241 115 26 ALA H H 8.133 0.020 1 242 115 26 ALA HA H 4.243 0.020 1 243 115 26 ALA HB H 1.303 0.020 1 244 115 26 ALA C C 177.583 0.3 1 245 115 26 ALA CA C 52.436 0.3 1 246 115 26 ALA CB C 19.329 0.3 1 247 115 26 ALA N N 123.724 0.3 1 248 116 27 ALA H H 8.270 0.020 1 249 116 27 ALA HA H 4.243 0.020 1 250 116 27 ALA HB H 1.303 0.020 1 251 116 27 ALA C C 177.426 0.3 1 252 116 27 ALA CA C 52.436 0.3 1 253 116 27 ALA CB C 18.675 0.3 1 254 116 27 ALA N N 123.077 0.3 1 255 117 28 ALA H H 8.181 0.020 1 256 117 28 ALA HA H 4.243 0.020 1 257 117 28 ALA HB H 1.303 0.020 1 258 117 28 ALA C C 177.426 0.3 1 259 117 28 ALA CA C 52.436 0.3 1 260 117 28 ALA CB C 18.675 0.3 1 261 117 28 ALA N N 123.207 0.3 1 262 118 29 ALA H H 8.215 0.020 1 263 118 29 ALA HA H 4.243 0.020 1 264 118 29 ALA HB H 1.303 0.020 1 265 118 29 ALA C C 178.100 0.3 1 266 118 29 ALA CA C 52.436 0.3 1 267 118 29 ALA CB C 18.675 0.3 1 268 118 29 ALA N N 123.207 0.3 1 269 119 30 GLY H H 8.256 0.020 1 270 119 30 GLY HA2 H 3.867 0.020 1 271 119 30 GLY HA3 H 3.867 0.020 1 272 119 30 GLY C C 173.564 0.3 1 273 119 30 GLY CA C 44.915 0.3 1 274 119 30 GLY N N 107.851 0.3 1 275 120 31 ALA H H 8.057 0.020 1 276 120 31 ALA HA H 4.308 0.020 1 277 120 31 ALA HB H 1.303 0.020 1 278 120 31 ALA C C 177.426 0.3 1 279 120 31 ALA CA C 51.864 0.3 1 280 120 31 ALA CB C 19.329 0.3 1 281 120 31 ALA N N 123.465 0.3 1 282 121 32 VAL H H 8.111 0.020 1 283 121 32 VAL HA H 4.073 0.020 1 284 121 32 VAL HB H 1.932 0.020 1 285 121 32 VAL HG1 H 0.829 0.020 2 286 121 32 VAL HG2 H 0.780 0.020 2 287 121 32 VAL C C 176.214 0.3 1 288 121 32 VAL CA C 61.837 0.3 1 289 121 32 VAL CB C 32.408 0.3 1 290 121 32 VAL CG1 C 21.034 0.3 1 291 121 32 VAL CG2 C 20.926 0.3 1 292 121 32 VAL N N 119.597 0.3 1 293 122 33 VAL H H 8.254 0.020 1 294 122 33 VAL HA H 4.030 0.020 1 295 122 33 VAL HB H 1.932 0.020 1 296 122 33 VAL HG1 H 0.836 0.020 2 297 122 33 VAL HG2 H 0.804 0.020 2 298 122 33 VAL C C 176.551 0.3 1 299 122 33 VAL CA C 62.491 0.3 1 300 122 33 VAL CB C 32.408 0.3 1 301 122 33 VAL CG1 C 21.183 0.3 1 302 122 33 VAL CG2 C 20.914 0.3 1 303 122 33 VAL N N 124.609 0.3 1 304 123 34 GLY H H 8.558 0.020 1 305 123 34 GLY HA2 H 3.867 0.020 1 306 123 34 GLY HA3 H 3.867 0.020 1 307 123 34 GLY C C 174.507 0.3 1 308 123 34 GLY CA C 44.915 0.3 1 309 123 34 GLY N N 113.257 0.3 1 310 124 35 GLY H H 8.248 0.020 1 311 124 35 GLY HA2 H 3.867 0.020 1 312 124 35 GLY HA3 H 3.867 0.020 1 313 124 35 GLY C C 174.148 0.3 1 314 124 35 GLY CA C 44.915 0.3 1 315 124 35 GLY N N 108.366 0.3 1 316 125 36 LEU H H 8.195 0.020 1 317 125 36 LEU HA H 4.308 0.020 1 318 125 36 LEU HB2 H 1.556 0.020 2 319 125 36 LEU HB3 H 1.491 0.020 2 320 125 36 LEU HG H 1.439 0.020 1 321 125 36 LEU HD1 H 0.630 0.020 2 322 125 36 LEU HD2 H 0.514 0.020 2 323 125 36 LEU C C 177.763 0.3 1 324 125 36 LEU CA C 54.561 0.3 1 325 125 36 LEU CB C 42.381 0.3 1 326 125 36 LEU CG C 26.817 0.3 1 327 125 36 LEU CD1 C 24.446 0.3 1 328 125 36 LEU CD2 C 23.298 0.3 1 329 125 36 LEU N N 121.785 0.3 1 330 126 37 GLY H H 8.495 0.020 1 331 126 37 GLY HA2 H 3.873 0.020 2 332 126 37 GLY HA3 H 3.773 0.020 2 333 126 37 GLY C C 174.665 0.3 1 334 126 37 GLY CA C 46.223 0.3 1 335 126 37 GLY N N 109.662 0.3 1 336 127 38 GLY H H 8.311 0.020 1 337 127 38 GLY HA2 H 3.830 0.020 2 338 127 38 GLY HA3 H 3.679 0.020 2 339 127 38 GLY C C 173.632 0.3 1 340 127 38 GLY CA C 44.915 0.3 1 341 127 38 GLY N N 108.890 0.3 1 342 128 39 TYR H H 7.722 0.020 1 343 128 39 TYR HA H 4.431 0.020 1 344 128 39 TYR HB2 H 2.793 0.020 2 345 128 39 TYR HB3 H 2.686 0.020 2 346 128 39 TYR HD1 H 6.795 0.020 1 347 128 39 TYR HD2 H 6.795 0.020 1 348 128 39 TYR HE1 H 6.707 0.020 1 349 128 39 TYR HE2 H 6.707 0.020 1 350 128 39 TYR C C 175.361 0.3 1 351 128 39 TYR CA C 57.586 0.3 1 352 128 39 TYR CB C 39.929 0.3 1 353 128 39 TYR N N 117.528 0.3 1 354 129 40 MET H H 8.995 0.020 1 355 129 40 MET HA H 4.473 0.020 1 356 129 40 MET HB2 H 1.500 0.020 2 357 129 40 MET HB3 H 0.843 0.020 2 358 129 40 MET HG2 H 2.158 0.020 1 359 129 40 MET HG3 H 2.158 0.020 1 360 129 40 MET HE H 2.097 0.020 1 361 129 40 MET C C 172.958 0.3 1 362 129 40 MET CA C 53.580 0.3 1 363 129 40 MET CB C 34.288 0.3 1 364 129 40 MET CG C 32.020 0.3 1 365 129 40 MET N N 120.755 0.3 1 366 130 41 LEU H H 8.064 0.020 1 367 130 41 LEU HA H 4.431 0.020 1 368 130 41 LEU HB2 H 1.543 0.020 2 369 130 41 LEU HB3 H 0.914 0.020 2 370 130 41 LEU HG H 1.315 0.020 1 371 130 41 LEU HD1 H 0.552 0.020 2 372 130 41 LEU HD2 H -0.072 0.020 2 373 130 41 LEU C C 177.426 0.3 1 374 130 41 LEU CA C 53.090 0.3 1 375 130 41 LEU CB C 43.035 0.3 1 376 130 41 LEU CG C 25.364 0.3 1 377 130 41 LEU CD1 C 25.058 0.3 1 378 130 41 LEU CD2 C 21.538 0.3 1 379 130 41 LEU N N 121.387 0.3 1 380 131 42 GLY H H 9.335 0.020 1 381 131 42 GLY HA2 H 4.365 0.020 2 382 131 42 GLY HA3 H 3.933 0.020 2 383 131 42 GLY C C 172.599 0.3 1 384 131 42 GLY CA C 44.343 0.3 1 385 131 42 GLY N N 114.839 0.3 1 386 132 43 SER H H 8.358 0.020 1 387 132 43 SER HA H 4.365 0.020 1 388 132 43 SER HB2 H 3.844 0.020 1 389 132 43 SER HB3 H 3.844 0.020 1 390 132 43 SER C C 175.001 0.3 1 391 132 43 SER CA C 58.076 0.3 1 392 132 43 SER CB C 63.717 0.3 1 393 132 43 SER N N 113.653 0.3 1 394 133 44 ALA H H 8.746 0.020 1 395 133 44 ALA HA H 4.373 0.020 1 396 133 44 ALA HB H 1.214 0.020 1 397 133 44 ALA C C 177.247 0.3 1 398 133 44 ALA CA C 52.436 0.3 1 399 133 44 ALA CB C 18.021 0.3 1 400 133 44 ALA N N 125.519 0.3 1 401 134 45 MET H H 8.694 0.020 1 402 134 45 MET HA H 4.676 0.020 1 403 134 45 MET HB2 H 1.872 0.020 1 404 134 45 MET HB3 H 1.872 0.020 1 405 134 45 MET HG2 H 2.422 0.020 2 406 134 45 MET HG3 H 2.373 0.020 2 407 134 45 MET HE H 2.029 0.020 1 408 134 45 MET C C 175.361 0.3 1 409 134 45 MET CA C 53.744 0.3 1 410 134 45 MET CB C 36.168 0.3 1 411 134 45 MET CG C 30.337 0.3 1 412 134 45 MET N N 120.750 0.3 1 413 135 46 SER H H 8.421 0.020 1 414 135 46 SER HA H 4.308 0.020 1 415 135 46 SER HB2 H 3.758 0.020 2 416 135 46 SER HB3 H 3.688 0.020 2 417 135 46 SER C C 174.305 0.3 1 418 135 46 SER CA C 58.076 0.3 1 419 135 46 SER CB C 63.635 0.3 1 420 135 46 SER N N 116.232 0.3 1 421 136 47 ARG H H 8.625 0.020 1 422 136 47 ARG HA H 4.373 0.020 1 423 136 47 ARG HB2 H 1.658 0.020 1 424 136 47 ARG HB3 H 1.658 0.020 1 425 136 47 ARG HG2 H 1.782 0.020 1 426 136 47 ARG HG3 H 1.782 0.020 1 427 136 47 ARG HD2 H 3.082 0.020 2 428 136 47 ARG HD3 H 2.986 0.020 2 429 136 47 ARG HE H 6.688 0.020 1 430 136 47 ARG C C 174.485 0.3 1 431 136 47 ARG CA C 54.316 0.3 1 432 136 47 ARG CB C 29.302 0.3 1 433 136 47 ARG N N 126.428 0.3 1 434 137 48 PRO HA H 4.359 0.020 1 435 137 48 PRO HB2 H 2.177 0.020 2 436 137 48 PRO HB3 H 1.679 0.020 2 437 137 48 PRO C C 175.518 0.3 1 438 137 48 PRO CA C 61.837 0.3 1 439 137 48 PRO CB C 31.676 0.3 1 440 138 49 ILE H H 8.626 0.020 1 441 138 49 ILE HA H 4.087 0.020 1 442 138 49 ILE HB H 1.843 0.020 1 443 138 49 ILE HG12 H 1.529 0.020 2 444 138 49 ILE HG13 H 1.303 0.020 2 445 138 49 ILE HG2 H 0.671 0.020 1 446 138 49 ILE HD1 H 0.829 0.020 1 447 138 49 ILE C C 175.001 0.3 1 448 138 49 ILE CA C 60.611 0.3 1 449 138 49 ILE CB C 36.168 0.3 1 450 138 49 ILE CG1 C 27.353 0.3 1 451 138 49 ILE CG2 C 17.407 0.3 1 452 138 49 ILE CD1 C 11.593 0.3 1 453 138 49 ILE N N 122.431 0.3 1 454 139 50 ILE H H 6.457 0.020 1 455 139 50 ILE HA H 3.858 0.020 1 456 139 50 ILE HB H 0.800 0.020 1 457 139 50 ILE HG12 H 0.842 0.020 2 458 139 50 ILE HG13 H 0.700 0.020 2 459 139 50 ILE HG2 H -0.115 0.020 1 460 139 50 ILE HD1 H 0.400 0.020 1 461 139 50 ILE C C 173.115 0.3 1 462 139 50 ILE CA C 58.730 0.3 1 463 139 50 ILE CB C 39.357 0.3 1 464 139 50 ILE CG1 C 26.435 0.3 1 465 139 50 ILE CG2 C 18.631 0.3 1 466 139 50 ILE CD1 C 12.740 0.3 1 467 139 50 ILE N N 126.666 0.3 1 468 140 51 HIS H H 8.223 0.020 1 469 140 51 HIS HA H 4.859 0.020 1 470 140 51 HIS HB2 H 3.238 0.020 2 471 140 51 HIS HB3 H 2.863 0.020 2 472 140 51 HIS HD2 H 7.231 0.020 1 473 140 51 HIS C C 174.485 0.3 1 474 140 51 HIS CA C 53.744 0.3 1 475 140 51 HIS CB C 29.302 0.3 1 476 140 51 HIS N N 121.914 0.3 1 477 141 52 PHE H H 10.180 0.020 1 478 141 52 PHE HA H 4.308 0.020 1 479 141 52 PHE HB2 H 3.087 0.020 2 480 141 52 PHE HB3 H 2.740 0.020 2 481 141 52 PHE HD1 H 7.231 0.020 1 482 141 52 PHE HD2 H 7.231 0.020 1 483 141 52 PHE HE1 H 6.802 0.020 1 484 141 52 PHE HE2 H 6.802 0.020 1 485 141 52 PHE HZ H 6.692 0.020 1 486 141 52 PHE C C 176.551 0.3 1 487 141 52 PHE CA C 59.303 0.3 1 488 141 52 PHE CB C 41.237 0.3 1 489 141 52 PHE N N 123.976 0.3 1 490 142 53 GLY H H 8.989 0.020 1 491 142 53 GLY HA2 H 4.101 0.020 2 492 142 53 GLY HA3 H 3.773 0.020 2 493 142 53 GLY C C 173.317 0.3 1 494 142 53 GLY CA C 45.569 0.3 1 495 142 53 GLY N N 108.392 0.3 1 496 143 54 SER H H 7.296 0.020 1 497 143 54 SER HA H 4.744 0.020 1 498 143 54 SER HB2 H 4.087 0.020 2 499 143 54 SER HB3 H 3.867 0.020 2 500 143 54 SER C C 173.811 0.3 1 501 143 54 SER CA C 56.196 0.3 1 502 143 54 SER CB C 65.597 0.3 1 503 143 54 SER N N 111.725 0.3 1 504 144 55 ASP H H 9.032 0.020 1 505 144 55 ASP HA H 4.444 0.020 1 506 144 55 ASP HB2 H 2.683 0.020 1 507 144 55 ASP HB3 H 2.683 0.020 1 508 144 55 ASP C C 178.459 0.3 1 509 144 55 ASP CA C 57.504 0.3 1 510 144 55 ASP CB C 40.583 0.3 1 511 144 55 ASP N N 124.372 0.3 1 512 145 56 TYR H H 8.556 0.020 1 513 145 56 TYR HA H 4.130 0.020 1 514 145 56 TYR HB2 H 3.187 0.020 2 515 145 56 TYR HB3 H 2.787 0.020 2 516 145 56 TYR HD1 H 7.017 0.020 1 517 145 56 TYR HD2 H 7.017 0.020 1 518 145 56 TYR HE1 H 6.682 0.020 1 519 145 56 TYR HE2 H 6.682 0.020 1 520 145 56 TYR C C 177.943 0.3 1 521 145 56 TYR CA C 61.186 0.3 1 522 145 56 TYR CB C 38.052 0.3 1 523 145 56 TYR N N 118.821 0.3 1 524 146 57 GLU H H 7.715 0.020 1 525 146 57 GLU HA H 3.515 0.020 1 526 146 57 GLU HB2 H 1.932 0.020 2 527 146 57 GLU HB3 H 1.491 0.020 2 528 146 57 GLU HG2 H 2.186 0.020 2 529 146 57 GLU HG3 H 1.843 0.020 2 530 146 57 GLU C C 177.426 0.3 1 531 146 57 GLU CA C 59.384 0.3 1 532 146 57 GLU CB C 29.956 0.3 1 533 146 57 GLU CG C 37.834 0.3 1 534 146 57 GLU N N 118.960 0.3 1 535 147 58 ASP H H 8.174 0.020 1 536 147 58 ASP HA H 4.619 0.020 1 537 147 58 ASP HB2 H 2.993 0.020 2 538 147 58 ASP HB3 H 2.806 0.020 2 539 147 58 ASP C C 173.654 0.3 1 540 147 58 ASP CA C 58.076 0.3 1 541 147 58 ASP CB C 39.929 0.3 1 542 147 58 ASP N N 119.666 0.3 1 543 148 59 ARG H H 8.195 0.020 1 544 148 59 ARG HA H 3.933 0.020 1 545 148 59 ARG HB2 H 1.888 0.020 1 546 148 59 ARG HB3 H 1.888 0.020 1 547 148 59 ARG HG2 H 1.672 0.020 2 548 148 59 ARG HG3 H 1.472 0.020 2 549 148 59 ARG HD2 H 3.172 0.020 2 550 148 59 ARG HD3 H 3.130 0.020 2 551 148 59 ARG HE H 7.388 0.020 1 552 148 59 ARG C C 177.583 0.3 1 553 148 59 ARG CA C 59.303 0.3 1 554 148 59 ARG CB C 29.302 0.3 1 555 148 59 ARG CG C 27.735 0.3 1 556 148 59 ARG CD C 43.802 0.3 1 557 148 59 ARG N N 120.243 0.3 1 558 149 60 TYR H H 8.305 0.020 1 559 149 60 TYR HA H 3.802 0.020 1 560 149 60 TYR HB2 H 2.806 0.020 2 561 149 60 TYR HB3 H 2.553 0.020 2 562 149 60 TYR HD1 H 6.905 0.020 1 563 149 60 TYR HD2 H 6.905 0.020 1 564 149 60 TYR HE1 H 6.798 0.020 1 565 149 60 TYR HE2 H 6.798 0.020 1 566 149 60 TYR C C 179.469 0.3 1 567 149 60 TYR CA C 61.837 0.3 1 568 149 60 TYR CB C 38.049 0.3 1 569 149 60 TYR N N 121.267 0.3 1 570 150 61 TYR H H 8.952 0.020 1 571 150 61 TYR HA H 4.055 0.020 1 572 150 61 TYR HB2 H 3.458 0.020 2 573 150 61 TYR HB3 H 3.181 0.020 2 574 150 61 TYR HD1 H 7.460 0.020 1 575 150 61 TYR HD2 H 7.460 0.020 1 576 150 61 TYR HE1 H 6.805 0.020 1 577 150 61 TYR HE2 H 6.805 0.020 1 578 150 61 TYR C C 176.910 0.3 1 579 150 61 TYR CA C 62.491 0.3 1 580 150 61 TYR CB C 38.049 0.3 1 581 150 61 TYR N N 120.627 0.3 1 582 151 62 ARG H H 7.966 0.020 1 583 151 62 ARG HA H 3.858 0.020 1 584 151 62 ARG HB2 H 2.054 0.020 2 585 151 62 ARG HB3 H 1.875 0.020 2 586 151 62 ARG HG2 H 1.940 0.020 2 587 151 62 ARG HG3 H 1.679 0.020 2 588 151 62 ARG HD2 H 3.315 0.020 2 589 151 62 ARG HD3 H 3.215 0.020 2 590 151 62 ARG HE H 7.460 0.020 1 591 151 62 ARG C C 179.469 0.3 1 592 151 62 ARG CA C 59.957 0.3 1 593 151 62 ARG CB C 29.302 0.3 1 594 151 62 ARG CG C 28.577 0.3 1 595 151 62 ARG CD C 43.190 0.3 1 596 151 62 ARG N N 117.916 0.3 1 597 152 63 GLU H H 8.055 0.020 1 598 152 63 GLU HA H 3.990 0.020 1 599 152 63 GLU HB2 H 1.801 0.020 1 600 152 63 GLU HB3 H 1.801 0.020 1 601 152 63 GLU HG2 H 2.365 0.020 2 602 152 63 GLU HG3 H 2.158 0.020 2 603 152 63 GLU C C 177.247 0.3 1 604 152 63 GLU CA C 58.076 0.3 1 605 152 63 GLU CB C 29.302 0.3 1 606 152 63 GLU CG C 36.151 0.3 1 607 152 63 GLU N N 116.566 0.3 1 608 153 64 ASN H H 7.586 0.020 1 609 153 64 ASN HA H 4.230 0.020 1 610 153 64 ASN HB2 H 2.086 0.020 1 611 153 64 ASN HB3 H 2.086 0.020 1 612 153 64 ASN HD21 H 6.704 0.020 1 613 153 64 ASN HD22 H 6.561 0.020 1 614 153 64 ASN C C 175.361 0.3 1 615 153 64 ASN CA C 54.970 0.3 1 616 153 64 ASN CB C 40.583 0.3 1 617 153 64 ASN N N 114.681 0.3 1 618 153 64 ASN ND2 N 117.014 0.3 1 619 154 65 MET H H 8.084 0.020 1 620 154 65 MET HA H 3.369 0.020 1 621 154 65 MET HB2 H 1.555 0.020 2 622 154 65 MET HB3 H 1.238 0.020 2 623 154 65 MET HG2 H 2.424 0.020 2 624 154 65 MET HG3 H 2.101 0.020 2 625 154 65 MET HE H 1.982 0.020 1 626 154 65 MET C C 176.214 0.3 1 627 154 65 MET CA C 59.303 0.3 1 628 154 65 MET CB C 29.629 0.3 1 629 154 65 MET CG C 30.413 0.3 1 630 154 65 MET N N 119.597 0.3 1 631 155 66 HIS H H 8.051 0.020 1 632 155 66 HIS HA H 4.158 0.020 1 633 155 66 HIS HB2 H 3.238 0.020 2 634 155 66 HIS HB3 H 2.993 0.020 2 635 155 66 HIS HD2 H 7.245 0.020 1 636 155 66 HIS C C 174.844 0.3 1 637 155 66 HIS CA C 57.426 0.3 1 638 155 66 HIS CB C 27.425 0.3 1 639 155 66 HIS N N 115.077 0.3 1 640 156 67 ARG H H 7.586 0.020 1 641 156 67 ARG HA H 4.055 0.020 1 642 156 67 ARG HB2 H 2.054 0.020 2 643 156 67 ARG HB3 H 1.303 0.020 2 644 156 67 ARG HG2 H 1.368 0.020 2 645 156 67 ARG HG3 H 0.257 0.020 2 646 156 67 ARG HD2 H 3.158 0.020 2 647 156 67 ARG HD3 H 3.029 0.020 2 648 156 67 ARG HE H 7.345 0.020 1 649 156 67 ARG C C 176.393 0.3 1 650 156 67 ARG CA C 56.196 0.3 1 651 156 67 ARG CB C 30.528 0.3 1 652 156 67 ARG CG C 26.894 0.3 1 653 156 67 ARG CD C 43.802 0.3 1 654 156 67 ARG N N 118.176 0.3 1 655 157 68 TYR H H 7.463 0.020 1 656 157 68 TYR HA H 4.944 0.020 1 657 157 68 TYR HB2 H 3.044 0.020 1 658 157 68 TYR HB3 H 3.044 0.020 1 659 157 68 TYR HD1 H 6.802 0.020 1 660 157 68 TYR HD2 H 6.802 0.020 1 661 157 68 TYR HE1 H 6.488 0.020 1 662 157 68 TYR HE2 H 6.488 0.020 1 663 157 68 TYR C C 172.779 0.3 1 664 157 68 TYR CA C 52.436 0.3 1 665 157 68 TYR CB C 34.288 0.3 1 666 157 68 TYR N N 121.012 0.3 1 667 158 69 PRO HA H 4.330 0.020 1 668 158 69 PRO HB2 H 2.365 0.020 2 669 158 69 PRO HB3 H 1.575 0.020 2 670 158 69 PRO HG2 H 1.736 0.020 2 671 158 69 PRO HG3 H 1.238 0.020 2 672 158 69 PRO C C 175.001 0.3 1 673 158 69 PRO CA C 63.557 0.3 1 674 158 69 PRO CB C 31.676 0.3 1 675 158 69 PRO CG C 27.276 0.3 1 676 158 69 PRO CD C 50.840 0.3 1 677 159 70 ASN H H 8.585 0.020 1 678 159 70 ASN HA H 4.644 0.020 1 679 159 70 ASN HB2 H 3.557 0.020 2 680 159 70 ASN HB3 H 2.401 0.020 2 681 159 70 ASN HD21 H 7.231 0.020 1 682 159 70 ASN HD22 H 6.688 0.020 1 683 159 70 ASN C C 172.779 0.3 1 684 159 70 ASN CA C 51.867 0.3 1 685 159 70 ASN CB C 38.052 0.3 1 686 159 70 ASN N N 116.372 0.3 1 687 160 71 GLN H H 7.271 0.020 1 688 160 71 GLN HA H 4.488 0.020 1 689 160 71 GLN HB2 H 1.932 0.020 2 690 160 71 GLN HB3 H 1.679 0.020 2 691 160 71 GLN HG2 H 2.120 0.020 2 692 160 71 GLN HG3 H 2.120 0.020 1 693 160 71 GLN HE21 H 7.846 0.020 1 694 160 71 GLN HE22 H 6.931 0.020 1 695 160 71 GLN C C 174.844 0.3 1 696 160 71 GLN CA C 53.744 0.3 1 697 160 71 GLN CB C 33.062 0.3 1 698 160 71 GLN CG C 33.779 0.3 1 699 160 71 GLN N N 113.924 0.3 1 700 161 72 VAL H H 8.489 0.020 1 701 161 72 VAL HA H 4.849 0.020 1 702 161 72 VAL HB H 2.553 0.020 1 703 161 72 VAL HG1 H 0.886 0.020 2 704 161 72 VAL HG2 H 0.700 0.020 2 705 161 72 VAL C C 173.991 0.3 1 706 161 72 VAL CA C 58.730 0.3 1 707 161 72 VAL CB C 33.634 0.3 1 708 161 72 VAL CG1 C 23.628 0.3 1 709 161 72 VAL CG2 C 18.602 0.3 1 710 161 72 VAL N N 112.750 0.3 1 711 162 73 TYR H H 8.461 0.020 1 712 162 73 TYR HA H 5.473 0.020 1 713 162 73 TYR HB2 H 2.495 0.020 1 714 162 73 TYR HB3 H 2.495 0.020 1 715 162 73 TYR HD1 H 6.800 0.020 1 716 162 73 TYR HD2 H 6.800 0.020 1 717 162 73 TYR HE1 H 6.717 0.020 1 718 162 73 TYR HE2 H 6.717 0.020 1 719 162 73 TYR C C 175.518 0.3 1 720 162 73 TYR CA C 56.850 0.3 1 721 162 73 TYR CB C 41.809 0.3 1 722 162 73 TYR N N 121.267 0.3 1 723 163 74 TYR H H 8.578 0.020 1 724 163 74 TYR HA H 4.744 0.020 1 725 163 74 TYR HB2 H 2.615 0.020 2 726 163 74 TYR HB3 H 2.544 0.020 2 727 163 74 TYR HD1 H 6.896 0.020 1 728 163 74 TYR HD2 H 6.896 0.020 1 729 163 74 TYR HE1 H 6.361 0.020 1 730 163 74 TYR HE2 H 6.361 0.020 1 731 163 74 TYR C C 172.958 0.3 1 732 163 74 TYR CA C 55.624 0.3 1 733 163 74 TYR CB C 39.929 0.3 1 734 163 74 TYR N N 111.087 0.3 1 735 165 76 PRO HA H 4.444 0.020 1 736 165 76 PRO HB2 H 2.429 0.020 2 737 165 76 PRO HB3 H 1.886 0.020 2 738 165 76 PRO C C 177.089 0.3 1 739 165 76 PRO CA C 62.900 0.3 1 740 165 76 PRO CB C 32.245 0.3 1 741 165 76 PRO CG C 27.965 0.3 1 742 165 76 PRO CD C 50.534 0.3 1 743 166 77 MET H H 8.906 0.020 1 744 166 77 MET HA H 4.387 0.020 1 745 166 77 MET HB2 H 2.343 0.020 1 746 166 77 MET HB3 H 2.343 0.020 1 747 166 77 MET HG2 H 1.803 0.020 1 748 166 77 MET HG3 H 1.803 0.020 1 749 166 77 MET HE H 1.557 0.020 1 750 166 77 MET C C 175.518 0.3 1 751 166 77 MET CA C 57.504 0.3 1 752 166 77 MET CB C 32.408 0.3 1 753 166 77 MET N N 120.755 0.3 1 754 167 78 ASP H H 8.413 0.020 1 755 167 78 ASP HA H 4.401 0.020 1 756 167 78 ASP HB2 H 3.075 0.020 1 757 167 78 ASP HB3 H 3.075 0.020 1 758 167 78 ASP C C 174.148 0.3 1 759 167 78 ASP CA C 54.970 0.3 1 760 167 78 ASP N N 118.926 0.3 1 761 169 80 TYR HA H 4.619 0.020 1 762 169 80 TYR HB2 H 2.308 0.020 2 763 169 80 TYR HB3 H 2.120 0.020 2 764 170 81 SER H H 8.563 0.020 1 765 170 81 SER HA H 4.287 0.020 1 766 170 81 SER HB2 H 3.793 0.020 2 767 170 81 SER HB3 H 3.730 0.020 2 768 170 81 SER C C 176.057 0.3 1 769 170 81 SER CA C 58.080 0.3 1 770 170 81 SER CB C 63.720 0.3 1 771 170 81 SER N N 116.496 0.3 1 772 171 82 ASN HA H 4.702 0.020 1 773 171 82 ASN HB2 H 3.051 0.020 2 774 171 82 ASN HB3 H 2.993 0.020 2 775 171 82 ASN C C 174.148 0.3 1 776 171 82 ASN CA C 52.436 0.3 1 777 171 82 ASN CB C 39.357 0.3 1 778 172 83 GLN H H 8.652 0.020 1 779 172 83 GLN HA H 2.863 0.020 1 780 172 83 GLN HB2 H 1.556 0.020 1 781 172 83 GLN HB3 H 1.556 0.020 1 782 172 83 GLN HG2 H 1.510 0.020 2 783 172 83 GLN HG3 H 1.214 0.020 2 784 172 83 GLN HE22 H 6.802 0.020 1 785 172 83 GLN C C 176.730 0.3 1 786 172 83 GLN CA C 59.303 0.3 1 787 172 83 GLN CB C 28.648 0.3 1 788 172 83 GLN CG C 33.244 0.3 1 789 172 83 GLN N N 120.243 0.3 1 790 173 84 ASN H H 8.359 0.020 1 791 173 84 ASN HA H 4.178 0.020 1 792 173 84 ASN HB2 H 2.683 0.020 2 793 173 84 ASN HB3 H 2.601 0.020 2 794 173 84 ASN HD21 H 7.574 0.020 1 795 173 84 ASN HD22 H 6.902 0.020 1 796 173 84 ASN C C 177.763 0.3 1 797 173 84 ASN CA C 56.196 0.3 1 798 173 84 ASN CB C 37.476 0.3 1 799 173 84 ASN N N 116.888 0.3 1 800 174 85 ASN H H 8.615 0.020 1 801 174 85 ASN HA H 4.501 0.020 1 802 174 85 ASN HB2 H 2.987 0.020 2 803 174 85 ASN HB3 H 2.872 0.020 2 804 174 85 ASN HD21 H 7.688 0.020 1 805 174 85 ASN C C 177.067 0.3 1 806 174 85 ASN CA C 55.545 0.3 1 807 174 85 ASN CB C 37.480 0.3 1 808 174 85 ASN N N 118.433 0.3 1 809 175 86 PHE CA C 60.611 0.3 1 810 176 87 VAL H H 8.933 0.020 1 811 176 87 VAL HA H 3.458 0.020 1 812 176 87 VAL HB H 2.158 0.020 1 813 176 87 VAL HG1 H 1.006 0.020 2 814 176 87 VAL HG2 H 0.972 0.020 2 815 176 87 VAL C C 176.910 0.3 1 816 176 87 VAL CA C 67.477 0.3 1 817 176 87 VAL CB C 31.836 0.3 1 818 176 87 VAL CG1 C 25.058 0.3 1 819 176 87 VAL CG2 C 21.538 0.3 1 820 176 87 VAL N N 120.107 0.3 1 821 177 88 HIS H H 8.352 0.020 1 822 177 88 HIS HA H 4.259 0.020 1 823 177 88 HIS HB2 H 3.304 0.020 2 824 177 88 HIS HB3 H 3.272 0.020 2 825 177 88 HIS CA C 59.303 0.3 1 826 177 88 HIS CB C 28.076 0.3 1 827 177 88 HIS N N 116.759 0.3 1 828 178 89 ASP H H 7.725 0.020 1 829 178 89 ASP HA H 4.488 0.020 1 830 178 89 ASP HB2 H 2.887 0.020 2 831 178 89 ASP HB3 H 2.801 0.020 2 832 178 89 ASP C C 175.899 0.3 1 833 178 89 ASP CA C 57.014 0.3 1 834 178 89 ASP CB C 40.665 0.3 1 835 178 89 ASP N N 118.567 0.3 1 836 179 90 CYS H H 8.050 0.020 1 837 179 90 CYS HA H 4.676 0.020 1 838 179 90 CYS HB2 H 3.304 0.020 2 839 179 90 CYS HB3 H 2.993 0.020 2 840 179 90 CYS C C 177.067 0.3 1 841 179 90 CYS CA C 58.730 0.3 1 842 179 90 CYS CB C 39.929 0.3 1 843 179 90 CYS N N 119.199 0.3 1 844 180 91 VAL H H 9.117 0.020 1 845 180 91 VAL HA H 3.587 0.020 1 846 180 91 VAL HB H 2.120 0.020 1 847 180 91 VAL HG1 H 1.014 0.020 2 848 180 91 VAL HG2 H 0.900 0.020 2 849 180 91 VAL C C 177.074 0.3 1 850 180 91 VAL CA C 66.254 0.3 1 851 180 91 VAL CB C 31.839 0.3 1 852 180 91 VAL CG1 C 23.298 0.3 1 853 180 91 VAL CG2 C 21.615 0.3 1 854 180 91 VAL N N 124.886 0.3 1 855 181 92 ASN H H 7.641 0.020 1 856 181 92 ASN HA H 4.259 0.020 1 857 181 92 ASN HB2 H 2.797 0.020 2 858 181 92 ASN HB3 H 2.740 0.020 2 859 181 92 ASN C C 178.459 0.3 1 860 181 92 ASN CA C 56.196 0.3 1 861 181 92 ASN CB C 38.703 0.3 1 862 181 92 ASN N N 116.241 0.3 1 863 182 93 ILE H H 8.693 0.020 1 864 182 93 ILE HA H 3.687 0.020 1 865 182 93 ILE HB H 1.500 0.020 1 866 182 93 ILE HG12 H 0.839 0.020 2 867 182 93 ILE HG13 H 0.771 0.020 2 868 182 93 ILE HG2 H 0.222 0.020 1 869 182 93 ILE HD1 H 0.357 0.020 1 870 182 93 ILE C C 177.583 0.3 1 871 182 93 ILE CA C 61.837 0.3 1 872 182 93 ILE CB C 36.168 0.3 1 873 182 93 ILE CG1 C 27.353 0.3 1 874 182 93 ILE CG2 C 18.631 0.3 1 875 182 93 ILE CD1 C 11.593 0.3 1 876 182 93 ILE N N 118.693 0.3 1 877 183 94 THR H H 8.153 0.020 1 878 183 94 THR HA H 4.001 0.020 1 879 183 94 THR HB H 4.416 0.020 1 880 183 94 THR HG1 H 6.259 0.020 1 881 183 94 THR HG2 H 1.415 0.020 1 882 183 94 THR C C 176.034 0.3 1 883 183 94 THR CA C 68.785 0.3 1 884 183 94 THR CB C 68.131 0.3 1 885 183 94 THR CG2 C 22.150 0.3 1 886 183 94 THR N N 118.175 0.3 1 887 184 95 ILE H H 8.489 0.020 1 888 184 95 ILE HA H 3.630 0.020 1 889 184 95 ILE HB H 2.029 0.020 1 890 184 95 ILE HG12 H 1.772 0.020 2 891 184 95 ILE HG13 H 0.813 0.020 2 892 184 95 ILE HG2 H 0.814 0.020 1 893 184 95 ILE HD1 H 0.700 0.020 1 894 184 95 ILE C C 178.616 0.3 1 895 184 95 ILE CA C 65.597 0.3 1 896 184 95 ILE CB C 36.250 0.3 1 897 184 95 ILE CG1 C 28.577 0.3 1 898 184 95 ILE CG2 C 16.795 0.3 1 899 184 95 ILE CD1 C 12.205 0.3 1 900 184 95 ILE N N 120.760 0.3 1 901 185 96 LYS H H 8.035 0.020 1 902 185 96 LYS HA H 4.001 0.020 1 903 185 96 LYS HB2 H 1.867 0.020 2 904 185 96 LYS HB3 H 1.815 0.020 2 905 185 96 LYS HG2 H 1.368 0.020 2 906 185 96 LYS HG3 H 1.304 0.020 2 907 185 96 LYS HD2 H 1.491 0.020 1 908 185 96 LYS HD3 H 1.491 0.020 1 909 185 96 LYS C C 178.773 0.3 1 910 185 96 LYS CA C 59.957 0.3 1 911 185 96 LYS CB C 31.836 0.3 1 912 185 96 LYS CG C 25.058 0.3 1 913 185 96 LYS CD C 29.113 0.3 1 914 185 96 LYS N N 122.869 0.3 1 915 186 97 GLN H H 8.386 0.020 1 916 186 97 GLN HA H 3.973 0.020 1 917 186 97 GLN HB2 H 1.870 0.020 2 918 186 97 GLN HB3 H 1.801 0.020 2 919 186 97 GLN HG2 H 1.900 0.020 2 920 186 97 GLN HG3 H 1.556 0.020 2 921 186 97 GLN HE21 H 6.702 0.020 1 922 186 97 GLN HE22 H 6.702 0.020 1 923 186 97 GLN C C 178.100 0.3 1 924 186 97 GLN CA C 57.504 0.3 1 925 186 97 GLN CB C 28.076 0.3 1 926 186 97 GLN CG C 33.856 0.3 1 927 186 97 GLN N N 116.496 0.3 1 928 187 98 HIS H H 8.222 0.020 1 929 187 98 HIS HA H 4.530 0.020 1 930 187 98 HIS HB2 H 3.272 0.020 2 931 187 98 HIS HB3 H 3.158 0.020 2 932 187 98 HIS C C 177.269 0.3 1 933 187 98 HIS CA C 58.730 0.3 1 934 187 98 HIS CB C 30.528 0.3 1 935 187 98 HIS N N 118.304 0.3 1 936 188 99 THR H H 8.279 0.020 1 937 188 99 THR HA H 4.101 0.020 1 938 188 99 THR HB H 4.387 0.020 1 939 188 99 THR HG2 H 1.181 0.020 1 940 188 99 THR C C 175.855 0.3 1 941 188 99 THR CA C 65.597 0.3 1 942 188 99 THR CB C 68.704 0.3 1 943 188 99 THR CG2 C 21.079 0.3 1 944 188 99 THR N N 113.890 0.3 1 945 189 100 VAL H H 8.004 0.020 1 946 189 100 VAL HA H 3.916 0.020 1 947 189 100 VAL HB H 2.158 0.020 1 948 189 100 VAL HG1 H 0.975 0.020 2 949 189 100 VAL HG2 H 0.900 0.020 2 950 189 100 VAL C C 177.785 0.3 1 951 189 100 VAL CA C 64.943 0.3 1 952 189 100 VAL CB C 31.836 0.3 1 953 189 100 VAL CG1 C 21.462 0.3 1 954 189 100 VAL CG2 C 20.926 0.3 1 955 189 100 VAL N N 122.302 0.3 1 956 190 101 THR H H 8.065 0.020 1 957 190 101 THR HA H 4.144 0.020 1 958 190 101 THR HB H 4.216 0.020 1 959 190 101 THR HG2 H 1.238 0.020 1 960 190 101 THR C C 176.034 0.3 1 961 190 101 THR CA C 64.374 0.3 1 962 190 101 THR CB C 69.361 0.3 1 963 190 101 THR CG2 C 21.538 0.3 1 964 190 101 THR N N 114.953 0.3 1 965 191 102 THR H H 7.989 0.020 1 966 191 102 THR HA H 4.101 0.020 1 967 191 102 THR HB H 4.201 0.020 1 968 191 102 THR HG2 H 0.927 0.020 1 969 191 102 THR C C 176.393 0.3 1 970 191 102 THR CA C 64.374 0.3 1 971 191 102 THR CB C 68.707 0.3 1 972 191 102 THR CG2 C 20.926 0.3 1 973 191 102 THR N N 114.697 0.3 1 974 192 103 THR H H 8.180 0.020 1 975 192 103 THR HA H 4.316 0.020 1 976 192 103 THR HB H 4.301 0.020 1 977 192 103 THR HG2 H 1.238 0.020 1 978 192 103 THR C C 176.910 0.3 1 979 192 103 THR CA C 64.371 0.3 1 980 192 103 THR CB C 68.703 0.3 1 981 192 103 THR CG2 C 21.538 0.3 1 982 192 103 THR N N 117.008 0.3 1 983 193 104 THR H H 7.879 0.020 1 984 193 104 THR HA H 4.158 0.020 1 985 193 104 THR HB H 4.243 0.020 1 986 193 104 THR HG2 H 1.238 0.020 1 987 193 104 THR C C 174.979 0.3 1 988 193 104 THR CA C 63.717 0.3 1 989 193 104 THR CB C 68.704 0.3 1 990 193 104 THR CG2 C 21.538 0.3 1 991 193 104 THR N N 116.112 0.3 1 992 194 105 LYS H H 7.724 0.020 1 993 194 105 LYS HA H 4.287 0.020 1 994 194 105 LYS HB2 H 1.915 0.020 2 995 194 105 LYS HB3 H 1.801 0.020 2 996 194 105 LYS HG2 H 1.426 0.020 1 997 194 105 LYS HG3 H 1.426 0.020 1 998 194 105 LYS HD2 H 1.613 0.020 1 999 194 105 LYS HD3 H 1.613 0.020 1 1000 194 105 LYS HE2 H 2.929 0.020 1 1001 194 105 LYS HE3 H 2.929 0.020 1 1002 194 105 LYS C C 176.730 0.3 1 1003 194 105 LYS CA C 56.196 0.3 1 1004 194 105 LYS CB C 32.408 0.3 1 1005 194 105 LYS CG C 24.446 0.3 1 1006 194 105 LYS CD C 29.036 0.3 1 1007 194 105 LYS N N 120.621 0.3 1 1008 195 106 GLY H H 8.048 0.020 1 1009 195 106 GLY HA2 H 4.055 0.020 2 1010 195 106 GLY HA3 H 3.802 0.020 2 1011 195 106 GLY C C 173.991 0.3 1 1012 195 106 GLY CA C 44.915 0.3 1 1013 195 106 GLY N N 108.630 0.3 1 1014 196 107 GLU H H 7.627 0.020 1 1015 196 107 GLU HA H 4.201 0.020 1 1016 196 107 GLU HB2 H 1.556 0.020 1 1017 196 107 GLU HB3 H 1.556 0.020 1 1018 196 107 GLU HG2 H 2.029 0.020 2 1019 196 107 GLU HG3 H 1.943 0.020 2 1020 196 107 GLU C C 175.001 0.3 1 1021 196 107 GLU CA C 55.624 0.3 1 1022 196 107 GLU CB C 30.528 0.3 1 1023 196 107 GLU CG C 35.616 0.3 1 1024 196 107 GLU N N 119.976 0.3 1 1025 197 108 ASN H H 8.434 0.020 1 1026 197 108 ASN HA H 4.602 0.020 1 1027 197 108 ASN HB2 H 2.618 0.020 2 1028 197 108 ASN HB3 H 2.544 0.020 2 1029 197 108 ASN C C 173.811 0.3 1 1030 197 108 ASN CA C 52.436 0.3 1 1031 197 108 ASN CB C 39.929 0.3 1 1032 197 108 ASN N N 119.467 0.3 1 1033 198 109 PHE H H 8.660 0.020 1 1034 198 109 PHE HA H 5.207 0.020 1 1035 198 109 PHE HB2 H 3.101 0.020 2 1036 198 109 PHE HB3 H 2.887 0.020 2 1037 198 109 PHE HD1 H 7.231 0.020 1 1038 198 109 PHE HD2 H 7.231 0.020 1 1039 198 109 PHE HE1 H 7.403 0.020 1 1040 198 109 PHE HE2 H 7.403 0.020 1 1041 198 109 PHE HZ H 6.359 0.020 1 1042 198 109 PHE C C 176.393 0.3 1 1043 198 109 PHE CA C 56.196 0.3 1 1044 198 109 PHE CB C 39.929 0.3 1 1045 198 109 PHE N N 121.784 0.3 1 1046 199 110 THR H H 9.499 0.020 1 1047 199 110 THR HA H 4.559 0.020 1 1048 199 110 THR HB H 4.773 0.020 1 1049 199 110 THR HG2 H 1.368 0.020 1 1050 199 110 THR C C 175.181 0.3 1 1051 199 110 THR CA C 59.957 0.3 1 1052 199 110 THR CB C 71.892 0.3 1 1053 199 110 THR CG2 C 21.538 0.3 1 1054 199 110 THR N N 115.986 0.3 1 1055 200 111 GLU H H 9.105 0.020 1 1056 200 111 GLU HA H 4.016 0.020 1 1057 200 111 GLU HB2 H 2.054 0.020 2 1058 200 111 GLU HB3 H 1.997 0.020 2 1059 200 111 GLU HG2 H 2.357 0.020 2 1060 200 111 GLU HG3 H 2.301 0.020 2 1061 200 111 GLU C C 178.953 0.3 1 1062 200 111 GLU CA C 59.957 0.3 1 1063 200 111 GLU CB C 28.648 0.3 1 1064 200 111 GLU CG C 35.616 0.3 1 1065 200 111 GLU N N 119.863 0.3 1 1066 201 112 THR H H 7.935 0.020 1 1067 201 112 THR HA H 3.730 0.020 1 1068 201 112 THR HB H 3.658 0.020 1 1069 201 112 THR HG2 H 0.643 0.020 1 1070 201 112 THR C C 175.518 0.3 1 1071 201 112 THR CA C 66.823 0.3 1 1072 201 112 THR CB C 68.131 0.3 1 1073 201 112 THR CG2 C 20.926 0.3 1 1074 201 112 THR N N 116.112 0.3 1 1075 202 113 ASP H H 7.480 0.020 1 1076 202 113 ASP HA H 4.521 0.020 1 1077 202 113 ASP HB2 H 3.304 0.020 2 1078 202 113 ASP HB3 H 2.553 0.020 2 1079 202 113 ASP C C 177.426 0.3 1 1080 202 113 ASP CA C 57.504 0.3 1 1081 202 113 ASP CB C 41.237 0.3 1 1082 202 113 ASP N N 119.985 0.3 1 1083 203 114 VAL H H 8.211 0.020 1 1084 203 114 VAL HA H 3.238 0.020 1 1085 203 114 VAL HB H 2.054 0.020 1 1086 203 114 VAL HG1 H 0.927 0.020 2 1087 203 114 VAL HG2 H 0.829 0.020 2 1088 203 114 VAL C C 177.583 0.3 1 1089 203 114 VAL CA C 67.477 0.3 1 1090 203 114 VAL CB C 31.182 0.3 1 1091 203 114 VAL CG1 C 22.686 0.3 1 1092 203 114 VAL CG2 C 20.926 0.3 1 1093 203 114 VAL N N 119.597 0.3 1 1094 204 115 LYS H H 7.723 0.020 1 1095 204 115 LYS HA H 4.016 0.020 1 1096 204 115 LYS HB2 H 1.924 0.020 2 1097 204 115 LYS HB3 H 1.867 0.020 2 1098 204 115 LYS HG2 H 1.568 0.020 2 1099 204 115 LYS HG3 H 1.315 0.020 2 1100 204 115 LYS HD2 H 1.617 0.020 1 1101 204 115 LYS HD3 H 1.617 0.020 1 1102 204 115 LYS HE2 H 2.863 0.020 1 1103 204 115 LYS HE3 H 2.863 0.020 1 1104 204 115 LYS C C 179.986 0.3 1 1105 204 115 LYS CA C 59.303 0.3 1 1106 204 115 LYS CB C 31.836 0.3 1 1107 204 115 LYS CG C 25.058 0.3 1 1108 204 115 LYS CD C 29.725 0.3 1 1109 204 115 LYS N N 119.080 0.3 1 1110 205 116 MET H H 8.200 0.020 1 1111 205 116 MET HA H 4.087 0.020 1 1112 205 116 MET HB2 H 2.242 0.020 2 1113 205 116 MET HB3 H 1.875 0.020 2 1114 205 116 MET HG2 H 2.871 0.020 2 1115 205 116 MET HG3 H 2.120 0.020 2 1116 205 116 MET HE H 1.343 0.020 1 1117 205 116 MET C C 178.100 0.3 1 1118 205 116 MET CA C 59.957 0.3 1 1119 205 116 MET CB C 32.408 0.3 1 1120 205 116 MET CG C 33.856 0.3 1 1121 205 116 MET N N 118.692 0.3 1 1122 206 117 MET H H 8.728 0.020 1 1123 206 117 MET HA H 3.501 0.020 1 1124 206 117 MET HB2 H 1.867 0.020 2 1125 206 117 MET HB3 H 1.556 0.020 2 1126 206 117 MET HG2 H 1.940 0.020 2 1127 206 117 MET HG3 H 1.744 0.020 2 1128 206 117 MET HE H 1.229 0.020 1 1129 206 117 MET C C 177.740 0.3 1 1130 206 117 MET CA C 59.388 0.3 1 1131 206 117 MET CB C 33.065 0.3 1 1132 206 117 MET CG C 33.856 0.3 1 1133 206 117 MET N N 118.294 0.3 1 1134 207 118 GLU H H 8.434 0.020 1 1135 207 118 GLU HA H 3.614 0.020 1 1136 207 118 GLU HB2 H 2.158 0.020 2 1137 207 118 GLU HB3 H 1.989 0.020 2 1138 207 118 GLU HG2 H 2.495 0.020 2 1139 207 118 GLU HG3 H 2.115 0.020 2 1140 207 118 GLU C C 178.279 0.3 1 1141 207 118 GLU CA C 60.614 0.3 1 1142 207 118 GLU CB C 28.079 0.3 1 1143 207 118 GLU CG C 35.616 0.3 1 1144 207 118 GLU N N 118.433 0.3 1 1145 208 119 ARG H H 7.283 0.020 1 1146 208 119 ARG HA H 4.144 0.020 1 1147 208 119 ARG HB2 H 2.054 0.020 2 1148 208 119 ARG HB3 H 1.901 0.020 2 1149 208 119 ARG HG2 H 1.772 0.020 2 1150 208 119 ARG HG3 H 1.686 0.020 2 1151 208 119 ARG HD2 H 3.201 0.020 2 1152 208 119 ARG HD3 H 3.095 0.020 2 1153 208 119 ARG C C 179.133 0.3 1 1154 208 119 ARG CA C 58.076 0.3 1 1155 208 119 ARG CB C 29.956 0.3 1 1156 208 119 ARG CG C 26.817 0.3 1 1157 208 119 ARG CD C 42.501 0.3 1 1158 208 119 ARG N N 116.776 0.3 1 1159 209 120 VAL H H 8.256 0.020 1 1160 209 120 VAL HA H 3.745 0.020 1 1161 209 120 VAL HB H 2.258 0.020 1 1162 209 120 VAL HG1 H 1.249 0.020 2 1163 209 120 VAL HG2 H 1.235 0.020 2 1164 209 120 VAL C C 177.067 0.3 1 1165 209 120 VAL CA C 65.597 0.3 1 1166 209 120 VAL CB C 31.836 0.3 1 1167 209 120 VAL CG1 C 23.910 0.3 1 1168 209 120 VAL CG2 C 20.926 0.3 1 1169 209 120 VAL N N 119.080 0.3 1 1170 210 121 VAL H H 9.062 0.020 1 1171 210 121 VAL HA H 3.601 0.020 1 1172 210 121 VAL HB H 2.229 0.020 1 1173 210 121 VAL HG1 H 1.159 0.020 2 1174 210 121 VAL HG2 H 0.886 0.020 2 1175 210 121 VAL C C 177.426 0.3 1 1176 210 121 VAL CA C 66.254 0.3 1 1177 210 121 VAL CB C 30.531 0.3 1 1178 210 121 VAL CG1 C 24.446 0.3 1 1179 210 121 VAL CG2 C 24.140 0.3 1 1180 210 121 VAL N N 121.286 0.3 1 1181 211 122 GLU H H 8.028 0.020 1 1182 211 122 GLU HA H 3.543 0.020 1 1183 211 122 GLU HB2 H 2.152 0.020 2 1184 211 122 GLU HB3 H 2.063 0.020 2 1185 211 122 GLU HG2 H 2.078 0.020 1 1186 211 122 GLU HG3 H 2.078 0.020 1 1187 211 122 GLU C C 177.426 0.3 1 1188 211 122 GLU CA C 60.611 0.3 1 1189 211 122 GLU CB C 28.648 0.3 1 1190 211 122 GLU CG C 35.616 0.3 1 1191 211 122 GLU N N 120.492 0.3 1 1192 212 123 GLN H H 7.145 0.020 1 1193 212 123 GLN HA H 3.925 0.020 1 1194 212 123 GLN HB2 H 2.150 0.020 2 1195 212 123 GLN HB3 H 2.072 0.020 2 1196 212 123 GLN HG2 H 2.373 0.020 1 1197 212 123 GLN HG3 H 2.373 0.020 1 1198 212 123 GLN C C 178.796 0.3 1 1199 212 123 GLN CA C 58.730 0.3 1 1200 212 123 GLN CB C 27.422 0.3 1 1201 212 123 GLN CG C 33.856 0.3 1 1202 212 123 GLN N N 114.824 0.3 1 1203 213 124 MET H H 8.214 0.020 1 1204 213 124 MET HA H 4.101 0.020 1 1205 213 124 MET HB2 H 2.120 0.020 2 1206 213 124 MET HB3 H 2.029 0.020 2 1207 213 124 MET HG2 H 2.772 0.020 2 1208 213 124 MET HG3 H 2.430 0.020 2 1209 213 124 MET HE H 1.772 0.020 1 1210 213 124 MET C C 178.459 0.3 1 1211 213 124 MET CA C 59.303 0.3 1 1212 213 124 MET CB C 34.288 0.3 1 1213 213 124 MET CG C 32.096 0.3 1 1214 213 124 MET N N 119.457 0.3 1 1215 214 125 CYS H H 9.196 0.020 1 1216 214 125 CYS HA H 4.365 0.020 1 1217 214 125 CYS HB2 H 3.458 0.020 2 1218 214 125 CYS HB3 H 2.844 0.020 2 1219 214 125 CYS C C 176.910 0.3 1 1220 214 125 CYS CA C 59.957 0.3 1 1221 214 125 CYS CB C 41.400 0.3 1 1222 214 125 CYS N N 119.348 0.3 1 1223 215 126 ILE H H 8.284 0.020 1 1224 215 126 ILE HA H 3.515 0.020 1 1225 215 126 ILE HB H 1.972 0.020 1 1226 215 126 ILE HG12 H 1.932 0.020 2 1227 215 126 ILE HG13 H 0.789 0.020 2 1228 215 126 ILE HG2 H 0.829 0.020 1 1229 215 126 ILE HD1 H 0.786 0.020 1 1230 215 126 ILE C C 177.988 0.3 1 1231 215 126 ILE CA C 66.251 0.3 1 1232 215 126 ILE CB C 37.558 0.3 1 1233 215 126 ILE CG1 C 30.872 0.3 1 1234 215 126 ILE CG2 C 16.872 0.3 1 1235 215 126 ILE CD1 C 13.888 0.3 1 1236 215 126 ILE N N 123.853 0.3 1 1237 216 127 THR H H 8.099 0.020 1 1238 216 127 THR HA H 3.887 0.020 1 1239 216 127 THR HB H 4.276 0.020 1 1240 216 127 THR HG2 H 1.172 0.020 1 1241 216 127 THR C C 176.214 0.3 1 1242 216 127 THR CA C 66.823 0.3 1 1243 216 127 THR CB C 68.131 0.3 1 1244 216 127 THR CG2 C 22.150 0.3 1 1245 216 127 THR N N 118.562 0.3 1 1246 217 128 GLN H H 8.702 0.020 1 1247 217 128 GLN HA H 3.587 0.020 1 1248 217 128 GLN HB2 H 2.086 0.020 1 1249 217 128 GLN HB3 H 2.086 0.020 1 1250 217 128 GLN HG2 H 1.772 0.020 1 1251 217 128 GLN HG3 H 1.772 0.020 1 1252 217 128 GLN HE21 H 7.245 0.020 1 1253 217 128 GLN HE22 H 6.688 0.020 1 1254 217 128 GLN C C 177.067 0.3 1 1255 217 128 GLN CA C 58.076 0.3 1 1256 217 128 GLN CB C 27.422 0.3 1 1257 217 128 GLN N N 122.176 0.3 1 1258 218 129 TYR H H 8.546 0.020 1 1259 218 129 TYR HA H 2.904 0.020 1 1260 218 129 TYR HB2 H 3.051 0.020 2 1261 218 129 TYR HB3 H 2.683 0.020 2 1262 218 129 TYR HD1 H 6.145 0.020 1 1263 218 129 TYR HD2 H 6.145 0.020 1 1264 218 129 TYR HE1 H 6.574 0.020 1 1265 218 129 TYR HE2 H 6.574 0.020 1 1266 218 129 TYR C C 177.426 0.3 1 1267 218 129 TYR CA C 61.673 0.3 1 1268 218 129 TYR CB C 36.659 0.3 1 1269 219 130 GLU H H 8.267 0.020 1 1270 219 130 GLU HA H 3.679 0.020 1 1271 219 130 GLU HB2 H 2.301 0.020 2 1272 219 130 GLU HB3 H 1.989 0.020 2 1273 219 130 GLU HG2 H 2.572 0.020 2 1274 219 130 GLU HG3 H 2.324 0.020 2 1275 219 130 GLU C C 178.953 0.3 1 1276 219 130 GLU CA C 59.303 0.3 1 1277 219 130 GLU CB C 28.076 0.3 1 1278 219 130 GLU CG C 34.544 0.3 1 1279 219 130 GLU N N 120.740 0.3 1 1280 220 131 ARG H H 7.931 0.020 1 1281 220 131 ARG HA H 3.933 0.020 1 1282 220 131 ARG HB2 H 1.972 0.020 2 1283 220 131 ARG HB3 H 1.785 0.020 2 1284 220 131 ARG HG2 H 1.772 0.020 2 1285 220 131 ARG HG3 H 1.556 0.020 2 1286 220 131 ARG HD2 H 3.042 0.020 2 1287 220 131 ARG HD3 H 2.863 0.020 2 1288 220 131 ARG HE H 7.245 0.020 1 1289 220 131 ARG C C 179.649 0.3 1 1290 220 131 ARG CA C 58.730 0.3 1 1291 220 131 ARG CB C 29.956 0.3 1 1292 220 131 ARG CG C 26.741 0.3 1 1293 220 131 ARG CD C 45.179 0.3 1 1294 220 131 ARG N N 119.080 0.3 1 1295 221 132 GLU H H 8.393 0.020 1 1296 221 132 GLU HA H 3.973 0.020 1 1297 221 132 GLU HB2 H 1.624 0.020 1 1298 221 132 GLU HB3 H 1.624 0.020 1 1299 221 132 GLU HG2 H 2.358 0.020 2 1300 221 132 GLU HG3 H 2.129 0.020 2 1301 221 132 GLU C C 178.616 0.3 1 1302 221 132 GLU CA C 57.426 0.3 1 1303 221 132 GLU CB C 28.651 0.3 1 1304 221 132 GLU CG C 36.151 0.3 1 1305 221 132 GLU N N 119.016 0.3 1 1306 222 133 SER H H 8.417 0.020 1 1307 222 133 SER HA H 3.844 0.020 1 1308 222 133 SER HB2 H 3.554 0.020 2 1309 222 133 SER HB3 H 3.344 0.020 2 1310 222 133 SER C C 173.991 0.3 1 1311 222 133 SER CA C 61.101 0.3 1 1312 222 133 SER CB C 62.409 0.3 1 1313 222 133 SER N N 115.720 0.3 1 1314 223 134 GLN H H 7.595 0.020 1 1315 223 134 GLN HA H 4.055 0.020 1 1316 223 134 GLN HB2 H 2.054 0.020 1 1317 223 134 GLN HB3 H 2.054 0.020 1 1318 223 134 GLN HG2 H 2.430 0.020 2 1319 223 134 GLN HG3 H 2.308 0.020 2 1320 223 134 GLN C C 177.426 0.3 1 1321 223 134 GLN CA C 58.076 0.3 1 1322 223 134 GLN CB C 28.076 0.3 1 1323 223 134 GLN CG C 33.856 0.3 1 1324 223 134 GLN N N 120.238 0.3 1 1325 224 135 ALA H H 7.504 0.020 1 1326 224 135 ALA HA H 4.111 0.020 1 1327 224 135 ALA HB H 1.354 0.020 1 1328 224 135 ALA C C 178.796 0.3 1 1329 224 135 ALA CA C 53.744 0.3 1 1330 224 135 ALA CB C 18.021 0.3 1 1331 224 135 ALA N N 120.621 0.3 1 1332 225 136 TYR H H 8.044 0.020 1 1333 225 136 TYR HA H 4.108 0.020 1 1334 225 136 TYR HB2 H 2.958 0.020 2 1335 225 136 TYR HB3 H 2.773 0.020 2 1336 225 136 TYR HD1 H 6.588 0.020 1 1337 225 136 TYR HD2 H 6.588 0.020 1 1338 225 136 TYR C C 177.067 0.3 1 1339 225 136 TYR CA C 59.957 0.3 1 1340 225 136 TYR CB C 38.703 0.3 1 1341 225 136 TYR N N 119.090 0.3 1 1342 226 137 TYR H H 7.942 0.020 1 1343 226 137 TYR HA H 4.308 0.020 1 1344 226 137 TYR HB2 H 3.087 0.020 2 1345 226 137 TYR HB3 H 2.872 0.020 2 1346 226 137 TYR HD1 H 7.131 0.020 1 1347 226 137 TYR HD2 H 7.131 0.020 1 1348 226 137 TYR HE1 H 6.574 0.020 1 1349 226 137 TYR HE2 H 6.574 0.020 1 1350 226 137 TYR C C 176.551 0.3 1 1351 226 137 TYR CA C 58.730 0.3 1 1352 226 137 TYR CB C 38.049 0.3 1 1353 226 137 TYR N N 118.006 0.3 1 1354 227 138 GLN H H 7.859 0.020 1 1355 227 138 GLN HA H 4.178 0.020 1 1356 227 138 GLN HB2 H 2.071 0.020 2 1357 227 138 GLN HB3 H 1.997 0.020 2 1358 227 138 GLN HG2 H 2.308 0.020 1 1359 227 138 GLN HG3 H 2.308 0.020 1 1360 227 138 GLN C C 176.214 0.3 1 1361 227 138 GLN CA C 56.196 0.3 1 1362 227 138 GLN CB C 28.648 0.3 1 1363 227 138 GLN CG C 33.856 0.3 1 1364 227 138 GLN N N 119.467 0.3 1 1365 228 139 ARG H H 7.936 0.020 1 1366 228 139 ARG HA H 4.187 0.020 1 1367 228 139 ARG HB2 H 1.789 0.020 2 1368 228 139 ARG HB3 H 1.741 0.020 2 1369 228 139 ARG HG2 H 1.625 0.020 2 1370 228 139 ARG HG3 H 1.562 0.020 2 1371 228 139 ARG HD2 H 3.087 0.020 1 1372 228 139 ARG HD3 H 3.087 0.020 1 1373 228 139 ARG HE H 7.104 0.020 1 1374 228 139 ARG C C 176.910 0.3 1 1375 228 139 ARG CA C 56.850 0.3 1 1376 228 139 ARG CB C 30.528 0.3 1 1377 228 139 ARG CG C 26.817 0.3 1 1378 228 139 ARG CD C 43.190 0.3 1 1379 228 139 ARG N N 120.621 0.3 1 1380 229 140 GLY H H 8.236 0.020 1 1381 229 140 GLY HA2 H 3.933 0.020 1 1382 229 140 GLY HA3 H 3.933 0.020 1 1383 229 140 GLY C C 173.991 0.3 1 1384 229 140 GLY CA C 44.915 0.3 1 1385 229 140 GLY N N 109.144 0.3 1 1386 230 141 SER H H 8.119 0.020 1 1387 230 141 SER HA H 4.434 0.020 1 1388 230 141 SER HB2 H 3.802 0.020 1 1389 230 141 SER HB3 H 3.802 0.020 1 1390 230 141 SER C C 173.632 0.3 1 1391 230 141 SER CA C 58.080 0.3 1 1392 230 141 SER CB C 63.720 0.3 1 1393 230 141 SER N N 115.596 0.3 1 1394 231 142 SER H H 7.990 0.020 1 1395 231 142 SER HA H 4.187 0.020 1 1396 231 142 SER HB2 H 3.730 0.020 1 1397 231 142 SER HB3 H 3.730 0.020 1 1398 231 142 SER C C 174.148 0.3 1 1399 231 142 SER CA C 59.957 0.3 1 1400 231 142 SER CB C 64.371 0.3 1 1401 231 142 SER N N 122.690 0.3 1 stop_ save_