data_18303 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for PfPMT, a Phosphoethanolamine Methyltransferase from Plasmodium falciparum ; _BMRB_accession_number 18303 _BMRB_flat_file_name bmr18303.str _Entry_type original _Submission_date 2012-02-29 _Accession_date 2012-02-29 _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 Bezsonova Irina . . 2 Rujan Iulian . . 3 Maciejewski Mark W. . 4 Gorbatyuk Oksana . . 5 Hao Bing . . 6 Arthanari Hari . . 7 Bobenchik April M. . 8 'Ben Mamoun' Choukri . . 9 Hoch Jeffrey C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1125 "13C chemical shifts" 893 "15N chemical shifts" 253 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-15 update BMRB 'update entry citation' 2012-03-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N chemical shift assignments for PfPMT, a phosphoethanolamine methyltransferase from Plasmodium falciparum.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22392340 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bezsonova Irina . . 2 Rujan Iulian . . 3 Bobenchik April M. . 4 Gorbatyuk Vitaliy . . 5 Maciejewski Mark W. . 6 Gorbatyuk Oksana . . 7 Hao Bing . . 8 Arthanari Haribabu . . 9 Mamoun 'Choukri Ben' . . 10 Hoch Jeffrey C. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17 _Page_last 20 _Year 2013 _Details . loop_ _Keyword NMR PfPMT 'Plasmodium falciparum' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PfPMT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PfPMT $PfPMT 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_PfPMT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PfPMT _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 266 _Mol_residue_sequence ; MTLIENLNSDKTFLENNQYT DEGVKVYEFIFGENYISSGG LEATKKILSDIELNENSKVL DIGSGLGGGCMYINEKYGAH THGIDICSNIVNMANERVSG NNKIIFEANDILTKEFPENN FDLIYSRDAILHLSLENKNK LFQKCYKWLKPTGTLLITDY CATEKENWDDEFKEYVKQRK YTLITVEEYADILTACNFKN VVSKDLSDYWNQLLEVEHKY LHENKEEFLKLFSEKKFISL DDGWSRKIKDSKRKMQRWGY FKATKN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 9 MET 2 10 THR 3 11 LEU 4 12 ILE 5 13 GLU 6 14 ASN 7 15 LEU 8 16 ASN 9 17 SER 10 18 ASP 11 19 LYS 12 20 THR 13 21 PHE 14 22 LEU 15 23 GLU 16 24 ASN 17 25 ASN 18 26 GLN 19 27 TYR 20 28 THR 21 29 ASP 22 30 GLU 23 31 GLY 24 32 VAL 25 33 LYS 26 34 VAL 27 35 TYR 28 36 GLU 29 37 PHE 30 38 ILE 31 39 PHE 32 40 GLY 33 41 GLU 34 42 ASN 35 43 TYR 36 44 ILE 37 45 SER 38 46 SER 39 47 GLY 40 48 GLY 41 49 LEU 42 50 GLU 43 51 ALA 44 52 THR 45 53 LYS 46 54 LYS 47 55 ILE 48 56 LEU 49 57 SER 50 58 ASP 51 59 ILE 52 60 GLU 53 61 LEU 54 62 ASN 55 63 GLU 56 64 ASN 57 65 SER 58 66 LYS 59 67 VAL 60 68 LEU 61 69 ASP 62 70 ILE 63 71 GLY 64 72 SER 65 73 GLY 66 74 LEU 67 75 GLY 68 76 GLY 69 77 GLY 70 78 CYS 71 79 MET 72 80 TYR 73 81 ILE 74 82 ASN 75 83 GLU 76 84 LYS 77 85 TYR 78 86 GLY 79 87 ALA 80 88 HIS 81 89 THR 82 90 HIS 83 91 GLY 84 92 ILE 85 93 ASP 86 94 ILE 87 95 CYS 88 96 SER 89 97 ASN 90 98 ILE 91 99 VAL 92 100 ASN 93 101 MET 94 102 ALA 95 103 ASN 96 104 GLU 97 105 ARG 98 106 VAL 99 107 SER 100 108 GLY 101 109 ASN 102 110 ASN 103 111 LYS 104 112 ILE 105 113 ILE 106 114 PHE 107 115 GLU 108 116 ALA 109 117 ASN 110 118 ASP 111 119 ILE 112 120 LEU 113 121 THR 114 122 LYS 115 123 GLU 116 124 PHE 117 125 PRO 118 126 GLU 119 127 ASN 120 128 ASN 121 129 PHE 122 130 ASP 123 131 LEU 124 132 ILE 125 133 TYR 126 134 SER 127 135 ARG 128 136 ASP 129 137 ALA 130 138 ILE 131 139 LEU 132 140 HIS 133 141 LEU 134 142 SER 135 143 LEU 136 144 GLU 137 145 ASN 138 146 LYS 139 147 ASN 140 148 LYS 141 149 LEU 142 150 PHE 143 151 GLN 144 152 LYS 145 153 CYS 146 154 TYR 147 155 LYS 148 156 TRP 149 157 LEU 150 158 LYS 151 159 PRO 152 160 THR 153 161 GLY 154 162 THR 155 163 LEU 156 164 LEU 157 165 ILE 158 166 THR 159 167 ASP 160 168 TYR 161 169 CYS 162 170 ALA 163 171 THR 164 172 GLU 165 173 LYS 166 174 GLU 167 175 ASN 168 176 TRP 169 177 ASP 170 178 ASP 171 179 GLU 172 180 PHE 173 181 LYS 174 182 GLU 175 183 TYR 176 184 VAL 177 185 LYS 178 186 GLN 179 187 ARG 180 188 LYS 181 189 TYR 182 190 THR 183 191 LEU 184 192 ILE 185 193 THR 186 194 VAL 187 195 GLU 188 196 GLU 189 197 TYR 190 198 ALA 191 199 ASP 192 200 ILE 193 201 LEU 194 202 THR 195 203 ALA 196 204 CYS 197 205 ASN 198 206 PHE 199 207 LYS 200 208 ASN 201 209 VAL 202 210 VAL 203 211 SER 204 212 LYS 205 213 ASP 206 214 LEU 207 215 SER 208 216 ASP 209 217 TYR 210 218 TRP 211 219 ASN 212 220 GLN 213 221 LEU 214 222 LEU 215 223 GLU 216 224 VAL 217 225 GLU 218 226 HIS 219 227 LYS 220 228 TYR 221 229 LEU 222 230 HIS 223 231 GLU 224 232 ASN 225 233 LYS 226 234 GLU 227 235 GLU 228 236 PHE 229 237 LEU 230 238 LYS 231 239 LEU 232 240 PHE 233 241 SER 234 242 GLU 235 243 LYS 236 244 LYS 237 245 PHE 238 246 ILE 239 247 SER 240 248 LEU 241 249 ASP 242 250 ASP 243 251 GLY 244 252 TRP 245 253 SER 246 254 ARG 247 255 LYS 248 256 ILE 249 257 LYS 250 258 ASP 251 259 SER 252 260 LYS 253 261 ARG 254 262 LYS 255 263 MET 256 264 GLN 257 265 ARG 258 266 TRP 259 267 GLY 260 268 TYR 261 269 PHE 262 270 LYS 263 271 ALA 264 272 THR 265 273 LYS 266 274 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 3UJ6 "Semet Phosphoethanolamine Methyltransferase From Plasmodium Falciparum In Complex With Sam And Po4" 99.62 266 98.87 98.87 0.00e+00 PDB 3UJ7 "Phosphoethanolamine Methyltransferase From Plasmodium Falciparum In Complex With Sam And Po4" 100.00 266 100.00 100.00 0.00e+00 PDB 3UJ8 "Phosphoethanolamine Methyltransferase From Plasmodium Falciparum In Complex With Sinefungin And Po4" 100.00 266 100.00 100.00 0.00e+00 PDB 3UJ9 "Phosphoethanolamine Methyltransferase From Plasmodium Falciparum In Complex With Phosphocholine" 100.00 266 100.00 100.00 0.00e+00 PDB 3UJA "Phosphoethanolamine Methyltransferase From Plasmodium Falciparum In Complex With Phosphoethanolamine" 100.00 266 100.00 100.00 0.00e+00 PDB 3UJB "Phosphoethanolamine Methyltransferase From Plasmodium Falciparum In Complex With Sah And Phosphoethanolamine" 100.00 266 100.00 100.00 0.00e+00 PDB 3UJC "Phosphoethanolamine Methyltransferase Mutant (H132a) From Plasmodium Falciparum In Complex With Phosphocholine" 100.00 266 99.62 99.62 0.00e+00 PDB 3UJD "Phosphoethanolamine Methyltransferase Mutant (Y19f) From Plasmodium Falciparum In Complex With Phosphocholine" 100.00 266 99.62 100.00 0.00e+00 PDB 4FGZ "Crystal Structure Of Phosphoethanolamine Methyltransferase From Plasmodium Falciparum In Complex With Amodiaquine" 100.00 266 100.00 100.00 0.00e+00 PDB 4R6W "Plasmodium Falciparum Phosphoethanolamine Methyltransferase D128a Mutant In Complex With S-adenosylhomocysteine And Phosphochol" 96.99 258 99.61 99.61 0.00e+00 PDB 4R6X "Plasmodium Falciparum Phosphoethanolamine Methyltransferase D128a Mutant In Complex With S-adenosylhomocysteine And Phosphoetha" 96.99 258 99.61 99.61 0.00e+00 EMBL CAD52560 "phosphoethanolamine N-methyltransferase [Plasmodium falciparum 3D7]" 100.00 266 100.00 100.00 0.00e+00 EMBL CDO66214 "phosphoethanolamine N-methyltransferase [Plasmodium reichenowi]" 100.00 266 97.37 98.12 0.00e+00 GB AAR08195 "phosphoethanolamine N-methyltransferase [Plasmodium falciparum]" 100.00 266 100.00 100.00 0.00e+00 GB ETW16777 "hypothetical protein PFFVO_04306 [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]" 100.00 266 99.62 99.62 0.00e+00 GB ETW29426 "hypothetical protein PFFCH_03139 [Plasmodium falciparum FCH/4]" 100.00 266 100.00 100.00 0.00e+00 GB ETW34631 "hypothetical protein PFTANZ_04641 [Plasmodium falciparum Tanzania (2000708)]" 100.00 266 100.00 100.00 0.00e+00 GB ETW40564 "hypothetical protein PFNF135_04870 [Plasmodium falciparum NF135/5.C10]" 100.00 266 100.00 100.00 0.00e+00 REF XP_001350151 "phosphoethanolamine N-methyltransferase [Plasmodium falciparum 3D7]" 100.00 266 100.00 100.00 0.00e+00 REF XP_012764798 "phosphoethanolamine N-methyltransferase [Plasmodium reichenowi]" 100.00 266 97.37 98.12 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PfPMT 'malaria parasite P. falciparum' 5833 Eukaryota . Plasmodium falciparum 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 $PfPMT 'recombinant technology' . Escherichia coli . pET15b 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 $PfPMT 0.5 mM '[U-100% 13C; U-100% 15N]' HEPES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_H(C)CH_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'H(C)CH TOCSY' _Sample_label $sample_1 save_ save_(H)CCH_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '(H)CCH TOCSY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.05 . M pH 6.9 . pH pressure 1 . atm temperature 293 . 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 water C 13 protons ppm 4.772 na indirect . . . 0.251449530 water H 1 protons ppm 4.772 internal direct . . . 1 water N 15 protons ppm 4.772 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 'H(C)CH TOCSY' '(H)CCH TOCSY' 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 PfPMT _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 10 2 THR HA H 4.265 0.000 1 2 10 2 THR HB H 4.180 0.000 1 3 10 2 THR HG2 H 2.005 0.000 1 4 10 2 THR CA C 62.402 0.000 1 5 10 2 THR CB C 69.755 0.000 1 6 10 2 THR CG2 C 24.540 0.000 1 7 11 3 LEU H H 8.284 0.000 1 8 11 3 LEU HA H 3.816 0.000 1 9 11 3 LEU C C 177.300 0.000 1 10 11 3 LEU CA C 55.698 0.000 1 11 11 3 LEU CB C 38.759 0.000 1 12 11 3 LEU N N 125.910 0.000 1 13 12 4 ILE H H 8.007 0.000 1 14 12 4 ILE HA H 4.063 0.000 1 15 12 4 ILE HB H 1.836 0.000 1 16 12 4 ILE HG12 H 1.432 0.000 2 17 12 4 ILE HG13 H 1.156 0.000 2 18 12 4 ILE HG2 H 0.855 0.000 1 19 12 4 ILE HD1 H 0.804 0.000 1 20 12 4 ILE C C 176.400 0.000 1 21 12 4 ILE CA C 61.570 0.000 1 22 12 4 ILE CB C 38.465 0.000 1 23 12 4 ILE CG1 C 27.436 0.000 1 24 12 4 ILE CG2 C 17.586 0.000 1 25 12 4 ILE CD1 C 12.853 0.000 1 26 12 4 ILE N N 121.075 0.000 1 27 13 5 GLU H H 8.417 0.000 1 28 13 5 GLU HA H 4.191 0.000 1 29 13 5 GLU HB2 H 1.980 0.000 2 30 13 5 GLU HB3 H 1.980 0.000 2 31 13 5 GLU HG2 H 2.260 0.000 2 32 13 5 GLU HG3 H 2.260 0.000 2 33 13 5 GLU C C 176.300 0.000 1 34 13 5 GLU CA C 57.066 0.000 1 35 13 5 GLU CB C 30.284 0.000 1 36 13 5 GLU CG C 36.599 0.000 1 37 13 5 GLU N N 124.800 0.000 1 38 14 6 ASN H H 8.326 0.000 1 39 14 6 ASN HA H 4.658 0.000 1 40 14 6 ASN HB2 H 2.831 0.000 2 41 14 6 ASN HB3 H 2.740 0.000 2 42 14 6 ASN HD21 H 6.899 0.000 2 43 14 6 ASN HD22 H 6.899 0.000 2 44 14 6 ASN C C 175.400 0.000 1 45 14 6 ASN CA C 53.450 0.000 1 46 14 6 ASN CB C 38.856 0.000 1 47 14 6 ASN N N 119.249 0.000 1 48 14 6 ASN ND2 N 112.769 0.000 1 49 15 7 LEU H H 8.210 0.000 1 50 15 7 LEU HA H 4.264 0.000 1 51 15 7 LEU HB2 H 1.621 0.000 2 52 15 7 LEU HB3 H 1.572 0.000 2 53 15 7 LEU HG H 1.502 0.000 1 54 15 7 LEU HD1 H 0.846 0.000 2 55 15 7 LEU HD2 H 0.810 0.000 2 56 15 7 LEU C C 177.400 0.000 1 57 15 7 LEU CA C 55.739 0.000 1 58 15 7 LEU CB C 42.248 0.000 1 59 15 7 LEU CG C 26.871 0.000 1 60 15 7 LEU CD1 C 25.082 0.000 1 61 15 7 LEU CD2 C 23.589 0.000 1 62 15 7 LEU N N 122.580 0.000 1 63 16 8 ASN H H 8.349 0.000 1 64 16 8 ASN HA H 4.691 0.000 1 65 16 8 ASN HB2 H 2.836 0.000 2 66 16 8 ASN HB3 H 2.735 0.000 2 67 16 8 ASN HD21 H 6.899 0.000 2 68 16 8 ASN HD22 H 6.899 0.000 2 69 16 8 ASN C C 175.500 0.000 1 70 16 8 ASN CA C 53.447 0.000 1 71 16 8 ASN CB C 38.847 0.000 1 72 16 8 ASN N N 118.499 0.000 1 73 16 8 ASN ND2 N 112.769 0.000 1 74 17 9 SER H H 8.168 0.000 1 75 17 9 SER HA H 4.385 0.000 1 76 17 9 SER HB2 H 3.916 0.000 2 77 17 9 SER HB3 H 3.838 0.000 2 78 17 9 SER C C 174.400 0.000 1 79 17 9 SER CA C 58.788 0.000 1 80 17 9 SER CB C 63.797 0.000 1 81 17 9 SER N N 116.356 0.000 1 82 18 10 ASP H H 8.335 0.000 1 83 18 10 ASP HA H 4.589 0.000 1 84 18 10 ASP HB2 H 2.711 0.000 2 85 18 10 ASP HB3 H 2.684 0.000 2 86 18 10 ASP C C 176.600 0.000 1 87 18 10 ASP CA C 54.704 0.000 1 88 18 10 ASP CB C 41.062 0.000 1 89 18 10 ASP N N 122.376 0.000 1 90 19 11 LYS H H 8.217 0.000 1 91 19 11 LYS HA H 4.277 0.000 1 92 19 11 LYS HB2 H 1.792 0.000 2 93 19 11 LYS HB3 H 1.743 0.000 2 94 19 11 LYS HG2 H 1.429 0.000 2 95 19 11 LYS HG3 H 1.383 0.000 2 96 19 11 LYS HD2 H 1.641 0.000 2 97 19 11 LYS HD3 H 1.641 0.000 2 98 19 11 LYS HE2 H 2.966 0.000 2 99 19 11 LYS HE3 H 2.966 0.000 2 100 19 11 LYS C C 177.100 0.000 1 101 19 11 LYS CA C 56.738 0.000 1 102 19 11 LYS CB C 32.727 0.000 1 103 19 11 LYS CG C 24.790 0.000 1 104 19 11 LYS CD C 29.060 0.000 1 105 19 11 LYS CE C 42.214 0.000 1 106 19 11 LYS N N 121.423 0.000 1 107 20 12 THR H H 8.107 0.000 1 108 20 12 THR HA H 4.175 0.000 1 109 20 12 THR HB H 4.111 0.000 1 110 20 12 THR HG2 H 1.112 0.000 1 111 20 12 THR C C 174.700 0.000 1 112 20 12 THR CA C 62.957 0.000 1 113 20 12 THR CB C 69.602 0.000 1 114 20 12 THR CG2 C 21.145 0.000 1 115 20 12 THR N N 114.339 0.000 1 116 21 13 PHE H H 8.110 0.000 1 117 21 13 PHE HA H 4.561 0.000 1 118 21 13 PHE HB2 H 3.122 0.000 2 119 21 13 PHE HB3 H 3.052 0.000 2 120 21 13 PHE C C 175.800 0.000 1 121 21 13 PHE CA C 58.262 0.000 1 122 21 13 PHE CB C 39.315 0.000 1 123 21 13 PHE N N 121.716 0.000 1 124 22 14 LEU H H 7.982 0.000 1 125 22 14 LEU HA H 4.324 0.000 1 126 22 14 LEU HB2 H 1.602 0.000 2 127 22 14 LEU HB3 H 1.602 0.000 2 128 22 14 LEU HD1 H 0.848 0.000 2 129 22 14 LEU HD2 H 0.812 0.000 2 130 22 14 LEU C C 177.400 0.000 1 131 22 14 LEU CA C 55.576 0.000 1 132 22 14 LEU CB C 42.243 0.000 1 133 22 14 LEU CD1 C 25.086 0.000 1 134 22 14 LEU CD2 C 23.521 0.000 1 135 22 14 LEU N N 122.462 0.000 1 136 23 15 GLU H H 8.238 0.000 1 137 23 15 GLU CA C 56.870 0.000 1 138 23 15 GLU CB C 29.860 0.000 1 139 23 15 GLU N N 120.563 0.000 1 140 26 18 GLN HA H 4.262 0.000 1 141 26 18 GLN HB2 H 1.940 0.000 2 142 26 18 GLN HB3 H 1.865 0.000 2 143 26 18 GLN HG2 H 2.131 0.000 2 144 26 18 GLN HG3 H 2.131 0.000 2 145 26 18 GLN HE21 H 6.797 0.000 2 146 26 18 GLN HE22 H 6.797 0.000 2 147 26 18 GLN C C 175.500 0.000 1 148 26 18 GLN CA C 56.109 0.000 1 149 26 18 GLN CB C 29.407 0.000 1 150 26 18 GLN CG C 33.587 0.000 1 151 26 18 GLN NE2 N 112.214 0.000 1 152 27 19 TYR H H 8.284 0.000 1 153 27 19 TYR HA H 4.670 0.000 1 154 27 19 TYR HB2 H 3.073 0.000 2 155 27 19 TYR HB3 H 2.884 0.000 2 156 27 19 TYR HD1 H 7.056 0.000 1 157 27 19 TYR HD2 H 7.056 0.000 1 158 27 19 TYR HE1 H 6.760 0.000 1 159 27 19 TYR HE2 H 6.760 0.000 1 160 27 19 TYR C C 176.300 0.000 1 161 27 19 TYR CA C 57.808 0.000 1 162 27 19 TYR CB C 39.013 0.000 1 163 27 19 TYR CD1 C 133.075 0.000 1 164 27 19 TYR CE1 C 118.244 0.000 1 165 27 19 TYR N N 120.614 0.000 1 166 28 20 THR H H 7.853 0.000 1 167 28 20 THR HA H 4.433 0.000 1 168 28 20 THR HB H 4.451 0.000 1 169 28 20 THR HG2 H 1.215 0.000 1 170 28 20 THR C C 174.400 0.000 1 171 28 20 THR CA C 60.741 0.000 1 172 28 20 THR CB C 71.094 0.000 1 173 28 20 THR CG2 C 21.842 0.000 1 174 28 20 THR N N 113.038 0.000 1 175 29 21 ASP H H 8.628 0.000 1 176 29 21 ASP HA H 4.365 0.000 1 177 29 21 ASP HB2 H 2.726 0.000 2 178 29 21 ASP HB3 H 2.726 0.000 2 179 29 21 ASP C C 177.700 0.000 1 180 29 21 ASP CA C 56.866 0.000 1 181 29 21 ASP CB C 40.279 0.000 1 182 29 21 ASP N N 121.975 0.000 1 183 30 22 GLU H H 8.466 0.000 1 184 30 22 GLU HA H 4.155 0.000 1 185 30 22 GLU HB2 H 2.092 0.000 2 186 30 22 GLU HB3 H 2.092 0.000 2 187 30 22 GLU C C 177.900 0.000 1 188 30 22 GLU CA C 58.923 0.000 1 189 30 22 GLU CB C 30.083 0.000 1 190 30 22 GLU N N 118.667 0.000 1 191 31 23 GLY H H 8.152 0.000 1 192 31 23 GLY HA2 H 3.642 0.000 2 193 31 23 GLY HA3 H 3.642 0.000 2 194 31 23 GLY C C 175.800 0.000 1 195 31 23 GLY CA C 46.810 0.000 1 196 31 23 GLY N N 107.940 0.000 1 197 32 24 VAL HA H 3.025 0.000 1 198 32 24 VAL HB H 1.650 0.000 1 199 32 24 VAL HG1 H 0.275 0.000 2 200 32 24 VAL HG2 H 0.136 0.000 2 201 32 24 VAL CA C 65.075 0.000 1 202 32 24 VAL CB C 30.826 0.000 1 203 32 24 VAL CG1 C 21.540 0.000 1 204 32 24 VAL CG2 C 21.429 0.000 1 205 33 25 LYS H H 7.511 0.000 1 206 33 25 LYS HA H 4.277 0.000 1 207 33 25 LYS HB2 H 2.089 0.000 2 208 33 25 LYS HB3 H 2.089 0.000 2 209 33 25 LYS HG2 H 1.659 0.000 2 210 33 25 LYS HG3 H 1.659 0.000 2 211 33 25 LYS HD2 H 1.794 0.000 2 212 33 25 LYS HD3 H 1.794 0.000 2 213 33 25 LYS HE2 H 3.032 0.000 2 214 33 25 LYS HE3 H 3.032 0.000 2 215 33 25 LYS CA C 59.135 0.000 1 216 33 25 LYS CB C 32.109 0.000 1 217 33 25 LYS CG C 25.550 0.000 1 218 33 25 LYS CD C 28.762 0.000 1 219 33 25 LYS CE C 42.194 0.000 1 220 33 25 LYS N N 117.948 0.000 1 221 34 26 VAL H H 8.660 0.000 1 222 34 26 VAL HA H 4.024 0.000 1 223 34 26 VAL HB H 2.238 0.000 1 224 34 26 VAL HG1 H 1.030 0.000 2 225 34 26 VAL HG2 H 1.098 0.000 2 226 34 26 VAL CA C 65.534 0.000 1 227 34 26 VAL CB C 32.174 0.000 1 228 34 26 VAL CG1 C 22.055 0.000 1 229 34 26 VAL CG2 C 21.689 0.000 1 230 34 26 VAL N N 120.000 0.000 1 231 35 27 TYR H H 8.073 0.000 1 232 35 27 TYR C C 179.500 0.000 1 233 35 27 TYR N N 108.824 0.000 1 234 36 28 GLU HA H 4.583 0.000 1 235 36 28 GLU HB2 H 2.047 0.000 2 236 36 28 GLU HB3 H 2.018 0.000 2 237 36 28 GLU HG2 H 2.248 0.000 2 238 36 28 GLU HG3 H 2.248 0.000 2 239 36 28 GLU C C 179.700 0.000 1 240 36 28 GLU CA C 59.309 0.000 1 241 36 28 GLU CB C 30.099 0.000 1 242 36 28 GLU CG C 36.514 0.000 1 243 37 29 PHE H H 7.814 0.000 1 244 37 29 PHE HA H 4.108 0.000 1 245 37 29 PHE C C 176.000 0.000 1 246 37 29 PHE CA C 61.853 0.000 1 247 37 29 PHE CB C 39.400 0.000 1 248 37 29 PHE N N 119.449 0.000 1 249 38 30 ILE H H 7.103 0.000 1 250 38 30 ILE HA H 4.012 0.000 1 251 38 30 ILE HB H 1.960 0.000 1 252 38 30 ILE HG2 H 0.985 0.000 1 253 38 30 ILE HD1 H 1.168 0.000 1 254 38 30 ILE C C 176.100 0.000 1 255 38 30 ILE CA C 63.178 0.000 1 256 38 30 ILE CB C 39.128 0.000 1 257 38 30 ILE CG2 C 18.649 0.000 1 258 38 30 ILE CD1 C 15.872 0.000 1 259 38 30 ILE N N 114.668 0.000 1 260 39 31 PHE H H 8.522 0.000 1 261 39 31 PHE HA H 4.584 0.000 1 262 39 31 PHE HB2 H 3.034 0.000 2 263 39 31 PHE HB3 H 3.034 0.000 2 264 39 31 PHE C C 177.500 0.000 1 265 39 31 PHE CA C 58.218 0.000 1 266 39 31 PHE CB C 39.863 0.000 1 267 39 31 PHE N N 118.167 0.000 1 268 40 32 GLY H H 7.874 0.000 1 269 40 32 GLY HA2 H 4.459 0.000 2 270 40 32 GLY HA3 H 3.690 0.000 2 271 40 32 GLY C C 172.000 0.000 1 272 40 32 GLY CA C 43.719 0.000 1 273 40 32 GLY N N 109.558 0.000 1 274 41 33 GLU H H 8.036 0.000 1 275 41 33 GLU HA H 4.112 0.000 1 276 41 33 GLU HB2 H 1.928 0.000 2 277 41 33 GLU HB3 H 1.928 0.000 2 278 41 33 GLU HG2 H 2.326 0.000 2 279 41 33 GLU HG3 H 2.326 0.000 2 280 41 33 GLU C C 177.900 0.000 1 281 41 33 GLU CA C 58.042 0.000 1 282 41 33 GLU CB C 30.373 0.000 1 283 41 33 GLU CG C 36.128 0.000 1 284 41 33 GLU N N 118.730 0.000 1 285 42 34 ASN H H 10.350 0.000 1 286 42 34 ASN CA C 58.000 0.000 1 287 42 34 ASN CB C 38.400 0.000 1 288 42 34 ASN N N 114.200 0.000 1 289 43 35 TYR HD1 H 7.240 0.000 1 290 43 35 TYR HD2 H 7.240 0.000 1 291 43 35 TYR HE1 H 6.962 0.000 1 292 43 35 TYR HE2 H 6.962 0.000 1 293 43 35 TYR CE1 C 118.419 0.000 1 294 44 36 ILE HG2 H 0.955 0.000 1 295 44 36 ILE CB C 39.400 0.000 1 296 44 36 ILE CG1 C 27.200 0.000 1 297 44 36 ILE CG2 C 19.011 0.000 1 298 44 36 ILE CD1 C 14.500 0.000 1 299 45 37 SER HB2 H 4.043 0.000 2 300 45 37 SER HB3 H 4.043 0.000 2 301 45 37 SER CB C 62.467 0.000 1 302 47 39 GLY HA2 H 4.022 0.000 2 303 47 39 GLY HA3 H 4.022 0.000 2 304 47 39 GLY C C 174.400 0.000 1 305 47 39 GLY CA C 46.924 0.000 1 306 48 40 GLY H H 7.382 0.000 1 307 48 40 GLY HA2 H 3.812 0.000 2 308 48 40 GLY HA3 H 3.812 0.000 2 309 48 40 GLY C C 174.500 0.000 1 310 48 40 GLY CA C 46.363 0.000 1 311 48 40 GLY N N 105.488 0.000 1 312 49 41 LEU H H 8.783 0.000 1 313 49 41 LEU HA H 3.651 0.000 1 314 49 41 LEU HD1 H 0.974 0.000 2 315 49 41 LEU HD2 H 0.857 0.000 2 316 49 41 LEU C C 177.600 0.000 1 317 49 41 LEU CA C 57.333 0.000 1 318 49 41 LEU CD1 C 25.768 0.000 1 319 49 41 LEU CD2 C 23.064 0.000 1 320 49 41 LEU N N 131.628 0.000 1 321 50 42 GLU H H 8.596 0.000 1 322 50 42 GLU HA H 4.553 0.000 1 323 50 42 GLU HB2 H 2.048 0.000 2 324 50 42 GLU HB3 H 2.048 0.000 2 325 50 42 GLU C C 179.800 0.000 1 326 50 42 GLU CA C 59.751 0.000 1 327 50 42 GLU CB C 29.032 0.000 1 328 50 42 GLU N N 119.298 0.000 1 329 51 43 ALA H H 7.571 0.000 1 330 51 43 ALA HA H 4.636 0.000 1 331 51 43 ALA HB H 1.495 0.000 1 332 51 43 ALA C C 179.000 0.000 1 333 51 43 ALA CA C 54.690 0.000 1 334 51 43 ALA CB C 18.812 0.000 1 335 51 43 ALA N N 119.624 0.000 1 336 52 44 THR H H 7.103 0.000 1 337 52 44 THR HB H 3.337 0.000 1 338 52 44 THR C C 174.800 0.000 1 339 52 44 THR CB C 66.712 0.000 1 340 52 44 THR N N 116.106 0.000 1 341 53 45 LYS H H 8.114 0.000 1 342 53 45 LYS HA H 3.581 0.000 1 343 53 45 LYS HB2 H 1.901 0.000 2 344 53 45 LYS HB3 H 1.816 0.000 2 345 53 45 LYS HG2 H 1.512 0.000 2 346 53 45 LYS HG3 H 1.320 0.000 2 347 53 45 LYS HD2 H 1.621 0.000 2 348 53 45 LYS HD3 H 1.621 0.000 2 349 53 45 LYS HE2 H 2.992 0.000 2 350 53 45 LYS HE3 H 2.944 0.000 2 351 53 45 LYS C C 179.800 0.000 1 352 53 45 LYS CA C 59.745 0.000 1 353 53 45 LYS CB C 32.927 0.000 1 354 53 45 LYS CG C 24.919 0.000 1 355 53 45 LYS CD C 29.294 0.000 1 356 53 45 LYS CE C 42.081 0.000 1 357 53 45 LYS N N 118.026 0.000 1 358 54 46 LYS H H 7.439 0.000 1 359 54 46 LYS HA H 4.076 0.000 1 360 54 46 LYS HB2 H 2.030 0.000 2 361 54 46 LYS HB3 H 2.030 0.000 2 362 54 46 LYS HG2 H 1.420 0.000 2 363 54 46 LYS HG3 H 1.314 0.000 2 364 54 46 LYS HD2 H 1.482 0.000 2 365 54 46 LYS HD3 H 1.390 0.000 2 366 54 46 LYS HE2 H 2.573 0.000 2 367 54 46 LYS HE3 H 2.542 0.000 2 368 54 46 LYS C C 180.300 0.000 1 369 54 46 LYS CA C 59.267 0.000 1 370 54 46 LYS CB C 32.760 0.000 1 371 54 46 LYS CG C 25.027 0.000 1 372 54 46 LYS CD C 28.948 0.000 1 373 54 46 LYS CE C 41.956 0.000 1 374 54 46 LYS N N 118.577 0.000 1 375 55 47 ILE H H 8.699 0.000 1 376 55 47 ILE HA H 3.828 0.000 1 377 55 47 ILE HB H 2.176 0.000 1 378 55 47 ILE HG12 H 1.447 0.000 2 379 55 47 ILE HG13 H 1.447 0.000 2 380 55 47 ILE HG2 H 1.114 0.000 1 381 55 47 ILE HD1 H 0.813 0.000 1 382 55 47 ILE C C 176.700 0.000 1 383 55 47 ILE CA C 63.903 0.000 1 384 55 47 ILE CB C 37.710 0.000 1 385 55 47 ILE CG1 C 29.008 0.000 1 386 55 47 ILE CG2 C 18.479 0.000 1 387 55 47 ILE CD1 C 12.315 0.000 1 388 55 47 ILE N N 120.921 0.000 1 389 56 48 LEU H H 7.680 0.000 1 390 56 48 LEU HA H 4.475 0.000 1 391 56 48 LEU HB2 H 2.068 0.000 2 392 56 48 LEU HB3 H 2.068 0.000 2 393 56 48 LEU HD1 H 0.849 0.000 2 394 56 48 LEU HD2 H 0.627 0.000 2 395 56 48 LEU C C 178.200 0.000 1 396 56 48 LEU CA C 55.147 0.000 1 397 56 48 LEU CB C 41.844 0.000 1 398 56 48 LEU CD1 C 27.398 0.000 1 399 56 48 LEU CD2 C 23.076 0.000 1 400 56 48 LEU N N 117.385 0.000 1 401 57 49 SER H H 7.373 0.000 1 402 57 49 SER HA H 4.027 0.000 1 403 57 49 SER HB2 H 3.984 0.000 2 404 57 49 SER HB3 H 3.984 0.000 2 405 57 49 SER C C 175.000 0.000 1 406 57 49 SER CA C 61.807 0.000 1 407 57 49 SER CB C 63.180 0.000 1 408 57 49 SER N N 114.365 0.000 1 409 58 50 ASP H H 8.149 0.000 1 410 58 50 ASP HA H 4.711 0.000 1 411 58 50 ASP HB2 H 2.946 0.000 2 412 58 50 ASP HB3 H 2.585 0.000 2 413 58 50 ASP C C 175.600 0.000 1 414 58 50 ASP CA C 53.137 0.000 1 415 58 50 ASP CB C 39.867 0.000 1 416 58 50 ASP N N 118.759 0.000 1 417 59 51 ILE H H 7.426 0.000 1 418 59 51 ILE HA H 4.335 0.000 1 419 59 51 ILE HB H 2.216 0.000 1 420 59 51 ILE HG12 H 1.592 0.000 2 421 59 51 ILE HG13 H 1.389 0.000 2 422 59 51 ILE HG2 H 0.636 0.000 1 423 59 51 ILE HD1 H 0.793 0.000 1 424 59 51 ILE C C 176.100 0.000 1 425 59 51 ILE CA C 58.277 0.000 1 426 59 51 ILE CB C 37.001 0.000 1 427 59 51 ILE CG1 C 26.983 0.000 1 428 59 51 ILE CG2 C 17.218 0.000 1 429 59 51 ILE CD1 C 10.561 0.000 1 430 59 51 ILE N N 120.862 0.000 1 431 60 52 GLU H H 8.754 0.000 1 432 60 52 GLU HA H 4.698 0.000 1 433 60 52 GLU HB2 H 1.956 0.000 2 434 60 52 GLU HB3 H 1.877 0.000 2 435 60 52 GLU HG2 H 2.221 0.000 2 436 60 52 GLU HG3 H 2.130 0.000 2 437 60 52 GLU C C 174.500 0.000 1 438 60 52 GLU CA C 55.960 0.000 1 439 60 52 GLU CB C 31.062 0.000 1 440 60 52 GLU CG C 35.955 0.000 1 441 60 52 GLU N N 129.894 0.000 1 442 61 53 LEU H H 6.947 0.000 1 443 61 53 LEU HA H 4.385 0.000 1 444 61 53 LEU HB2 H 0.982 0.000 2 445 61 53 LEU HB3 H 0.982 0.000 2 446 61 53 LEU HD1 H 0.132 0.000 2 447 61 53 LEU HD2 H 0.679 0.000 2 448 61 53 LEU C C 174.300 0.000 1 449 61 53 LEU CA C 52.785 0.000 1 450 61 53 LEU CB C 46.038 0.000 1 451 61 53 LEU CD1 C 26.593 0.000 1 452 61 53 LEU CD2 C 22.894 0.000 1 453 61 53 LEU N N 123.640 0.000 1 454 62 54 ASN H H 8.926 0.000 1 455 62 54 ASN HA H 5.102 0.000 1 456 62 54 ASN HB2 H 3.131 0.000 2 457 62 54 ASN HB3 H 2.850 0.000 2 458 62 54 ASN HD21 H 6.723 0.000 2 459 62 54 ASN HD22 H 7.685 0.000 2 460 62 54 ASN C C 175.500 0.000 1 461 62 54 ASN CA C 52.519 0.000 1 462 62 54 ASN CB C 40.538 0.000 1 463 62 54 ASN N N 116.666 0.000 1 464 62 54 ASN ND2 N 115.110 0.000 1 465 63 55 GLU H H 8.918 0.000 1 466 63 55 GLU HA H 4.060 0.000 1 467 63 55 GLU HB2 H 2.073 0.000 2 468 63 55 GLU HB3 H 2.073 0.000 2 469 63 55 GLU HG2 H 2.261 0.000 2 470 63 55 GLU HG3 H 2.261 0.000 2 471 63 55 GLU C C 176.400 0.000 1 472 63 55 GLU CA C 57.887 0.000 1 473 63 55 GLU CB C 29.029 0.000 1 474 63 55 GLU CG C 35.474 0.000 1 475 63 55 GLU N N 117.051 0.000 1 476 64 56 ASN H H 8.539 0.000 1 477 64 56 ASN HA H 5.026 0.000 1 478 64 56 ASN HB2 H 2.952 0.000 2 479 64 56 ASN HB3 H 2.695 0.000 2 480 64 56 ASN HD21 H 7.055 0.000 2 481 64 56 ASN HD22 H 7.572 0.000 2 482 64 56 ASN C C 176.000 0.000 1 483 64 56 ASN CA C 52.845 0.000 1 484 64 56 ASN CB C 39.541 0.000 1 485 64 56 ASN N N 115.460 0.000 1 486 64 56 ASN ND2 N 115.003 0.000 1 487 65 57 SER H H 7.997 0.000 1 488 65 57 SER HA H 4.550 0.000 1 489 65 57 SER HB2 H 3.912 0.000 2 490 65 57 SER HB3 H 3.840 0.000 2 491 65 57 SER C C 172.400 0.000 1 492 65 57 SER CA C 59.795 0.000 1 493 65 57 SER CB C 63.814 0.000 1 494 65 57 SER N N 119.402 0.000 1 495 66 58 LYS H H 9.836 0.000 1 496 66 58 LYS HA H 5.253 0.000 1 497 66 58 LYS HB2 H 2.009 0.000 2 498 66 58 LYS HB3 H 2.009 0.000 2 499 66 58 LYS C C 176.400 0.000 1 500 66 58 LYS CA C 56.210 0.000 1 501 66 58 LYS CB C 35.289 0.000 1 502 66 58 LYS N N 123.197 0.000 1 503 67 59 VAL H H 9.041 0.000 1 504 67 59 VAL HA H 5.207 0.000 1 505 67 59 VAL HB H 2.090 0.000 1 506 67 59 VAL HG1 H 0.831 0.000 2 507 67 59 VAL HG2 H 0.777 0.000 2 508 67 59 VAL C C 173.700 0.000 1 509 67 59 VAL CA C 60.714 0.000 1 510 67 59 VAL CB C 35.673 0.000 1 511 67 59 VAL CG1 C 22.435 0.000 1 512 67 59 VAL CG2 C 20.182 0.000 1 513 67 59 VAL N N 126.211 0.000 1 514 68 60 LEU H H 8.094 0.000 1 515 68 60 LEU HA H 5.178 0.000 1 516 68 60 LEU HD1 H 0.405 0.000 2 517 68 60 LEU HD2 H 0.397 0.000 2 518 68 60 LEU C C 173.100 0.000 1 519 68 60 LEU CA C 52.711 0.000 1 520 68 60 LEU CD1 C 26.843 0.000 1 521 68 60 LEU CD2 C 21.849 0.000 1 522 68 60 LEU N N 131.356 0.000 1 523 69 61 ASP H H 8.957 0.000 1 524 69 61 ASP HA H 4.822 0.000 1 525 69 61 ASP C C 176.800 0.000 1 526 69 61 ASP CA C 51.891 0.000 1 527 69 61 ASP CB C 43.394 0.000 1 528 69 61 ASP N N 127.423 0.000 1 529 70 62 ILE H H 9.092 0.000 1 530 70 62 ILE HA H 3.893 0.000 1 531 70 62 ILE HB H 1.188 0.000 1 532 70 62 ILE HG12 H 1.296 0.000 2 533 70 62 ILE HG13 H 1.296 0.000 2 534 70 62 ILE HG2 H 0.256 0.000 1 535 70 62 ILE HD1 H -0.151 0.000 1 536 70 62 ILE C C 174.000 0.000 1 537 70 62 ILE CA C 62.958 0.000 1 538 70 62 ILE CB C 39.378 0.000 1 539 70 62 ILE CG1 C 28.423 0.000 1 540 70 62 ILE CG2 C 16.854 0.000 1 541 70 62 ILE CD1 C 13.017 0.000 1 542 70 62 ILE N N 124.188 0.000 1 543 71 63 GLY H H 9.045 0.000 1 544 71 63 GLY HA2 H 4.247 0.000 2 545 71 63 GLY HA3 H 4.036 0.000 2 546 71 63 GLY C C 176.500 0.000 1 547 71 63 GLY CA C 46.338 0.000 1 548 71 63 GLY N N 119.277 0.000 1 549 72 64 SER H H 7.766 0.000 1 550 72 64 SER HA H 4.170 0.000 1 551 72 64 SER HB2 H 3.423 0.000 2 552 72 64 SER HB3 H 3.395 0.000 2 553 72 64 SER C C 177.500 0.000 1 554 72 64 SER CA C 60.606 0.000 1 555 72 64 SER CB C 63.718 0.000 1 556 72 64 SER N N 115.420 0.000 1 557 73 65 GLY H H 9.590 0.000 1 558 73 65 GLY HA2 H 3.745 0.000 2 559 73 65 GLY HA3 H 3.703 0.000 2 560 73 65 GLY C C 174.300 0.000 1 561 73 65 GLY CA C 47.396 0.000 1 562 73 65 GLY N N 115.263 0.000 1 563 74 66 LEU H H 7.881 0.000 1 564 74 66 LEU HA H 3.894 0.000 1 565 74 66 LEU HB2 H 1.033 0.000 2 566 74 66 LEU HB3 H 1.033 0.000 2 567 74 66 LEU HD1 H 0.733 0.000 2 568 74 66 LEU C C 175.000 0.000 1 569 74 66 LEU CA C 54.323 0.000 1 570 74 66 LEU CB C 43.648 0.000 1 571 74 66 LEU CD1 C 24.936 0.000 1 572 74 66 LEU N N 126.141 0.000 1 573 75 67 GLY H H 7.682 0.000 1 574 75 67 GLY HA2 H 3.881 0.000 2 575 75 67 GLY HA3 H 3.881 0.000 2 576 75 67 GLY C C 175.500 0.000 1 577 75 67 GLY CA C 47.515 0.000 1 578 75 67 GLY N N 99.889 0.000 1 579 76 68 GLY H H 7.924 0.000 1 580 76 68 GLY HA2 H 3.516 0.000 2 581 76 68 GLY HA3 H 3.516 0.000 2 582 76 68 GLY C C 176.200 0.000 1 583 76 68 GLY CA C 47.752 0.000 1 584 76 68 GLY N N 107.815 0.000 1 585 77 69 GLY H H 8.855 0.000 1 586 77 69 GLY HA2 H 4.057 0.000 2 587 77 69 GLY HA3 H 4.057 0.000 2 588 77 69 GLY C C 175.500 0.000 1 589 77 69 GLY CA C 47.914 0.000 1 590 77 69 GLY N N 111.774 0.000 1 591 78 70 CYS H H 7.969 0.000 1 592 78 70 CYS HA H 4.113 0.000 1 593 78 70 CYS HB2 H 2.055 0.000 2 594 78 70 CYS HB3 H 2.055 0.000 2 595 78 70 CYS C C 177.200 0.000 1 596 78 70 CYS CA C 65.601 0.000 1 597 78 70 CYS CB C 27.495 0.000 1 598 78 70 CYS N N 120.231 0.000 1 599 79 71 MET H H 8.805 0.000 1 600 79 71 MET HA H 3.879 0.000 1 601 79 71 MET HB2 H 2.681 0.000 2 602 79 71 MET HB3 H 2.681 0.000 2 603 79 71 MET C C 178.500 0.000 1 604 79 71 MET CA C 60.068 0.000 1 605 79 71 MET CB C 30.491 0.000 1 606 79 71 MET N N 118.057 0.000 1 607 80 72 TYR H H 8.399 0.000 1 608 80 72 TYR HA H 4.196 0.000 1 609 80 72 TYR HB2 H 3.341 0.000 2 610 80 72 TYR HB3 H 2.994 0.000 2 611 80 72 TYR HD1 H 6.930 0.000 1 612 80 72 TYR HD2 H 6.930 0.000 1 613 80 72 TYR HE1 H 6.589 0.000 1 614 80 72 TYR HE2 H 6.589 0.000 1 615 80 72 TYR C C 176.700 0.000 1 616 80 72 TYR CA C 61.784 0.000 1 617 80 72 TYR CB C 38.078 0.000 1 618 80 72 TYR CD1 C 133.380 0.000 1 619 80 72 TYR CE1 C 117.218 0.000 1 620 80 72 TYR N N 120.450 0.000 1 621 81 73 ILE H H 8.335 0.000 1 622 81 73 ILE HA H 3.407 0.000 1 623 81 73 ILE HB H 1.709 0.000 1 624 81 73 ILE HG12 H 1.064 0.000 2 625 81 73 ILE HG13 H 1.064 0.000 2 626 81 73 ILE HG2 H 0.813 0.000 1 627 81 73 ILE HD1 H 0.681 0.000 1 628 81 73 ILE C C 178.500 0.000 1 629 81 73 ILE CA C 65.683 0.000 1 630 81 73 ILE CB C 38.081 0.000 1 631 81 73 ILE CG1 C 29.218 0.000 1 632 81 73 ILE CG2 C 17.392 0.000 1 633 81 73 ILE CD1 C 13.777 0.000 1 634 81 73 ILE N N 119.621 0.000 1 635 82 74 ASN H H 8.592 0.000 1 636 82 74 ASN HA H 4.355 0.000 1 637 82 74 ASN HB2 H 2.847 0.000 2 638 82 74 ASN HB3 H 2.847 0.000 2 639 82 74 ASN C C 177.100 0.000 1 640 82 74 ASN CA C 58.356 0.000 1 641 82 74 ASN CB C 40.949 0.000 1 642 82 74 ASN N N 118.155 0.000 1 643 83 75 GLU H H 8.334 0.000 1 644 83 75 GLU HA H 3.781 0.000 1 645 83 75 GLU HB2 H 2.103 0.000 2 646 83 75 GLU HB3 H 2.103 0.000 2 647 83 75 GLU HG2 H 1.983 0.000 2 648 83 75 GLU HG3 H 1.983 0.000 2 649 83 75 GLU C C 177.900 0.000 1 650 83 75 GLU CA C 59.678 0.000 1 651 83 75 GLU CB C 29.752 0.000 1 652 83 75 GLU CG C 36.251 0.000 1 653 83 75 GLU N N 122.627 0.000 1 654 84 76 LYS H H 8.506 0.000 1 655 84 76 LYS HA H 3.628 0.000 1 656 84 76 LYS HG2 H 0.402 0.000 2 657 84 76 LYS HG3 H -0.048 0.000 2 658 84 76 LYS HE2 H 2.757 0.000 2 659 84 76 LYS HE3 H 2.654 0.000 2 660 84 76 LYS C C 178.000 0.000 1 661 84 76 LYS CA C 58.343 0.000 1 662 84 76 LYS CG C 24.324 0.000 1 663 84 76 LYS CE C 42.505 0.000 1 664 84 76 LYS N N 118.170 0.000 1 665 85 77 TYR H H 7.633 0.000 1 666 85 77 TYR HA H 4.619 0.000 1 667 85 77 TYR HB2 H 2.861 0.000 2 668 85 77 TYR HB3 H 2.861 0.000 2 669 85 77 TYR C C 176.300 0.000 1 670 85 77 TYR CA C 57.451 0.000 1 671 85 77 TYR CB C 41.021 0.000 1 672 85 77 TYR N N 111.396 0.000 1 673 86 78 GLY H H 7.880 0.000 1 674 86 78 GLY HA2 H 3.956 0.000 2 675 86 78 GLY HA3 H 3.956 0.000 2 676 86 78 GLY C C 172.800 0.000 1 677 86 78 GLY CA C 45.470 0.000 1 678 86 78 GLY N N 107.690 0.000 1 679 87 79 ALA H H 5.872 0.000 1 680 87 79 ALA HA H 4.234 0.000 1 681 87 79 ALA HB H 1.056 0.000 1 682 87 79 ALA C C 176.300 0.000 1 683 87 79 ALA CA C 51.876 0.000 1 684 87 79 ALA CB C 20.347 0.000 1 685 87 79 ALA N N 117.499 0.000 1 686 88 80 HIS H H 8.218 0.000 1 687 88 80 HIS HA H 4.853 0.000 1 688 88 80 HIS HB2 H 3.262 0.000 2 689 88 80 HIS HB3 H 3.262 0.000 2 690 88 80 HIS C C 176.000 0.000 1 691 88 80 HIS CA C 56.964 0.000 1 692 88 80 HIS CB C 31.274 0.000 1 693 88 80 HIS N N 119.875 0.000 1 694 89 81 THR H H 8.812 0.000 1 695 89 81 THR HA H 4.927 0.000 1 696 89 81 THR HB H 4.123 0.000 1 697 89 81 THR C C 172.100 0.000 1 698 89 81 THR CA C 58.784 0.000 1 699 89 81 THR CB C 70.964 0.000 1 700 89 81 THR N N 115.587 0.000 1 701 90 82 HIS H H 8.801 0.000 1 702 90 82 HIS HA H 5.427 0.000 1 703 90 82 HIS C C 174.000 0.000 1 704 90 82 HIS CA C 52.894 0.000 1 705 90 82 HIS CB C 34.861 0.000 1 706 90 82 HIS N N 129.757 0.000 1 707 91 83 GLY H H 9.603 0.000 1 708 91 83 GLY HA2 H 3.917 0.000 2 709 91 83 GLY HA3 H 3.917 0.000 2 710 91 83 GLY C C 172.100 0.000 1 711 91 83 GLY CA C 45.299 0.000 1 712 91 83 GLY N N 114.419 0.000 1 713 92 84 ILE H H 8.973 0.000 1 714 92 84 ILE HA H 5.678 0.000 1 715 92 84 ILE HB H 1.669 0.000 1 716 92 84 ILE HG12 H 1.553 0.000 2 717 92 84 ILE HG13 H 1.553 0.000 2 718 92 84 ILE HG2 H 0.860 0.000 1 719 92 84 ILE HD1 H 0.720 0.000 1 720 92 84 ILE C C 175.400 0.000 1 721 92 84 ILE CA C 58.133 0.000 1 722 92 84 ILE CB C 40.885 0.000 1 723 92 84 ILE CG1 C 28.320 0.000 1 724 92 84 ILE CG2 C 17.671 0.000 1 725 92 84 ILE CD1 C 13.363 0.000 1 726 92 84 ILE N N 124.044 0.000 1 727 93 85 ASP H H 8.766 0.000 1 728 93 85 ASP HA H 4.757 0.000 1 729 93 85 ASP C C 174.300 0.000 1 730 93 85 ASP CA C 52.124 0.000 1 731 93 85 ASP CB C 46.800 0.000 1 732 93 85 ASP N N 130.735 0.000 1 733 94 86 ILE H H 8.673 0.000 1 734 94 86 ILE HA H 4.304 0.000 1 735 94 86 ILE HB H 1.830 0.000 1 736 94 86 ILE HG12 H 1.374 0.000 2 737 94 86 ILE HG13 H 1.374 0.000 2 738 94 86 ILE HG2 H 0.875 0.000 1 739 94 86 ILE HD1 H 0.834 0.000 1 740 94 86 ILE C C 176.000 0.000 1 741 94 86 ILE CA C 60.759 0.000 1 742 94 86 ILE CB C 39.967 0.000 1 743 94 86 ILE CG1 C 29.029 0.000 1 744 94 86 ILE CG2 C 18.339 0.000 1 745 94 86 ILE CD1 C 13.955 0.000 1 746 94 86 ILE N N 121.751 0.000 1 747 95 87 CYS H H 8.826 0.000 1 748 95 87 CYS N N 123.447 0.000 1 749 98 90 ILE HA H 3.915 0.000 1 750 98 90 ILE C C 176.700 0.000 1 751 98 90 ILE CA C 63.701 0.000 1 752 98 90 ILE CB C 45.698 0.000 1 753 99 91 VAL H H 7.468 0.000 1 754 99 91 VAL HA H 3.704 0.000 1 755 99 91 VAL HB H 2.308 0.000 1 756 99 91 VAL HG1 H 1.027 0.000 2 757 99 91 VAL HG2 H 1.150 0.000 2 758 99 91 VAL C C 177.700 0.000 1 759 99 91 VAL CA C 66.901 0.000 1 760 99 91 VAL CB C 31.906 0.000 1 761 99 91 VAL CG1 C 20.967 0.000 1 762 99 91 VAL CG2 C 22.923 0.000 1 763 99 91 VAL N N 122.647 0.000 1 764 100 92 ASN H H 8.118 0.000 1 765 100 92 ASN HA H 4.514 0.000 1 766 100 92 ASN HB2 H 2.929 0.000 2 767 100 92 ASN HB3 H 2.877 0.000 2 768 100 92 ASN HD21 H 7.471 0.000 2 769 100 92 ASN HD22 H 6.898 0.000 2 770 100 92 ASN C C 178.600 0.000 1 771 100 92 ASN CA C 56.467 0.000 1 772 100 92 ASN CB C 37.452 0.000 1 773 100 92 ASN N N 117.639 0.000 1 774 100 92 ASN ND2 N 112.720 0.000 1 775 101 93 MET H H 7.471 0.000 1 776 101 93 MET HA H 4.058 0.000 1 777 101 93 MET HB2 H 2.102 0.000 2 778 101 93 MET HB3 H 2.048 0.000 2 779 101 93 MET C C 178.200 0.000 1 780 101 93 MET CA C 59.651 0.000 1 781 101 93 MET CB C 34.036 0.000 1 782 101 93 MET N N 119.556 0.000 1 783 102 94 ALA H H 8.275 0.000 1 784 102 94 ALA HA H 3.676 0.000 1 785 102 94 ALA HB H 0.434 0.000 1 786 102 94 ALA C C 179.700 0.000 1 787 102 94 ALA CA C 55.458 0.000 1 788 102 94 ALA CB C 17.871 0.000 1 789 102 94 ALA N N 124.168 0.000 1 790 103 95 ASN H H 8.609 0.000 1 791 103 95 ASN HA H 4.841 0.000 1 792 103 95 ASN HB2 H 2.833 0.000 2 793 103 95 ASN HB3 H 2.723 0.000 2 794 103 95 ASN C C 179.400 0.000 1 795 103 95 ASN CA C 55.649 0.000 1 796 103 95 ASN CB C 38.425 0.000 1 797 103 95 ASN N N 114.074 0.000 1 798 104 96 GLU H H 7.772 0.000 1 799 104 96 GLU HA H 4.116 0.000 1 800 104 96 GLU HB2 H 2.237 0.000 2 801 104 96 GLU HB3 H 2.237 0.000 2 802 104 96 GLU HG2 H 2.486 0.000 2 803 104 96 GLU HG3 H 2.359 0.000 2 804 104 96 GLU C C 179.400 0.000 1 805 104 96 GLU CA C 59.188 0.000 1 806 104 96 GLU CB C 29.427 0.000 1 807 104 96 GLU CG C 36.578 0.000 1 808 104 96 GLU N N 120.162 0.000 1 809 105 97 ARG H H 7.641 0.000 1 810 105 97 ARG HA H 4.258 0.000 1 811 105 97 ARG HB2 H 2.053 0.000 2 812 105 97 ARG HB3 H 2.053 0.000 2 813 105 97 ARG C C 177.900 0.000 1 814 105 97 ARG CA C 58.138 0.000 1 815 105 97 ARG CB C 30.391 0.000 1 816 105 97 ARG N N 117.138 0.000 1 817 106 98 VAL H H 7.309 0.000 1 818 106 98 VAL HA H 4.690 0.000 1 819 106 98 VAL HB H 2.626 0.000 1 820 106 98 VAL HG1 H 1.109 0.000 2 821 106 98 VAL HG2 H 1.167 0.000 2 822 106 98 VAL C C 175.500 0.000 1 823 106 98 VAL CA C 60.556 0.000 1 824 106 98 VAL CB C 31.848 0.000 1 825 106 98 VAL CG1 C 22.429 0.000 1 826 106 98 VAL CG2 C 18.921 0.000 1 827 106 98 VAL N N 109.560 0.000 1 828 107 99 SER H H 7.289 0.000 1 829 107 99 SER HA H 4.233 0.000 1 830 107 99 SER HB2 H 3.979 0.000 2 831 107 99 SER HB3 H 3.900 0.000 2 832 107 99 SER C C 175.900 0.000 1 833 107 99 SER CA C 60.077 0.000 1 834 107 99 SER CB C 63.261 0.000 1 835 107 99 SER N N 117.264 0.000 1 836 108 100 GLY H H 8.825 0.000 1 837 108 100 GLY HA2 H 4.212 0.000 2 838 108 100 GLY HA3 H 3.796 0.000 2 839 108 100 GLY C C 173.700 0.000 1 840 108 100 GLY CA C 45.181 0.000 1 841 108 100 GLY N N 114.011 0.000 1 842 109 101 ASN H H 8.092 0.000 1 843 109 101 ASN HA H 4.757 0.000 1 844 109 101 ASN HB2 H 3.104 0.000 2 845 109 101 ASN HB3 H 3.104 0.000 2 846 109 101 ASN C C 175.600 0.000 1 847 109 101 ASN CA C 52.124 0.000 1 848 109 101 ASN CB C 38.007 0.000 1 849 109 101 ASN N N 119.651 0.000 1 850 110 102 ASN H H 8.617 0.000 1 851 110 102 ASN HA H 4.571 0.000 1 852 110 102 ASN HB2 H 2.920 0.000 2 853 110 102 ASN HB3 H 2.898 0.000 2 854 110 102 ASN HD21 H 7.550 0.000 2 855 110 102 ASN HD22 H 6.860 0.000 2 856 110 102 ASN C C 176.000 0.000 1 857 110 102 ASN CA C 54.217 0.000 1 858 110 102 ASN CB C 38.050 0.000 1 859 110 102 ASN N N 121.923 0.000 1 860 110 102 ASN ND2 N 111.800 0.000 1 861 111 103 LYS H H 8.166 0.000 1 862 111 103 LYS HA H 4.332 0.000 1 863 111 103 LYS HB2 H 2.021 0.000 2 864 111 103 LYS HB3 H 2.021 0.000 2 865 111 103 LYS C C 173.400 0.000 1 866 111 103 LYS CA C 56.697 0.000 1 867 111 103 LYS CB C 33.501 0.000 1 868 111 103 LYS N N 117.936 0.000 1 869 112 104 ILE H H 6.834 0.000 1 870 112 104 ILE HA H 4.364 0.000 1 871 112 104 ILE HB H 1.281 0.000 1 872 112 104 ILE HG2 H 0.141 0.000 1 873 112 104 ILE HD1 H 0.684 0.000 1 874 112 104 ILE C C 173.700 0.000 1 875 112 104 ILE CA C 60.832 0.000 1 876 112 104 ILE CB C 40.538 0.000 1 877 112 104 ILE CG2 C 19.101 0.000 1 878 112 104 ILE CD1 C 15.571 0.000 1 879 112 104 ILE N N 116.598 0.000 1 880 113 105 ILE H H 7.750 0.000 1 881 113 105 ILE HA H 4.188 0.000 1 882 113 105 ILE HB H 1.465 0.000 1 883 113 105 ILE HG12 H 1.244 0.000 2 884 113 105 ILE HG13 H 0.931 0.000 2 885 113 105 ILE HG2 H 0.461 0.000 1 886 113 105 ILE HD1 H 0.690 0.000 1 887 113 105 ILE C C 172.800 0.000 1 888 113 105 ILE CA C 58.963 0.000 1 889 113 105 ILE CB C 41.496 0.000 1 890 113 105 ILE CG1 C 27.624 0.000 1 891 113 105 ILE CG2 C 16.315 0.000 1 892 113 105 ILE CD1 C 13.018 0.000 1 893 113 105 ILE N N 125.204 0.000 1 894 114 106 PHE H H 7.898 0.000 1 895 114 106 PHE HA H 5.916 0.000 1 896 114 106 PHE HB2 H 2.829 0.000 2 897 114 106 PHE HB3 H 2.829 0.000 2 898 114 106 PHE HD1 H 7.205 0.000 1 899 114 106 PHE HD2 H 7.205 0.000 1 900 114 106 PHE C C 175.200 0.000 1 901 114 106 PHE CA C 55.382 0.000 1 902 114 106 PHE CB C 40.900 0.000 1 903 114 106 PHE CD1 C 132.454 0.000 1 904 114 106 PHE N N 121.501 0.000 1 905 115 107 GLU H H 9.395 0.000 1 906 115 107 GLU HA H 4.604 0.000 1 907 115 107 GLU HB2 H 2.045 0.000 2 908 115 107 GLU HB3 H 2.045 0.000 2 909 115 107 GLU C C 172.900 0.000 1 910 115 107 GLU CA C 54.503 0.000 1 911 115 107 GLU CB C 34.531 0.000 1 912 115 107 GLU N N 125.750 0.000 1 913 116 108 ALA H H 8.781 0.000 1 914 116 108 ALA HA H 5.783 0.000 1 915 116 108 ALA HB H 1.164 0.000 1 916 116 108 ALA C C 176.700 0.000 1 917 116 108 ALA CA C 49.019 0.000 1 918 116 108 ALA CB C 17.738 0.000 1 919 116 108 ALA N N 129.757 0.000 1 920 117 109 ASN H H 8.476 0.000 1 921 117 109 ASN HA H 4.590 0.000 1 922 117 109 ASN HB2 H 2.547 0.000 2 923 117 109 ASN HB3 H 2.117 0.000 2 924 117 109 ASN C C 172.800 0.000 1 925 117 109 ASN CA C 51.738 0.000 1 926 117 109 ASN CB C 42.709 0.000 1 927 117 109 ASN N N 122.922 0.000 1 928 118 110 ASP H H 8.739 0.000 1 929 118 110 ASP HA H 4.578 0.000 1 930 118 110 ASP HB2 H 2.543 0.000 2 931 118 110 ASP HB3 H 2.543 0.000 2 932 118 110 ASP C C 177.800 0.000 1 933 118 110 ASP CA C 52.382 0.000 1 934 118 110 ASP CB C 41.829 0.000 1 935 118 110 ASP N N 118.748 0.000 1 936 119 111 ILE H H 9.127 0.000 1 937 119 111 ILE HA H 4.065 0.000 1 938 119 111 ILE HB H 1.754 0.000 1 939 119 111 ILE HD1 H 0.905 0.000 1 940 119 111 ILE C C 174.500 0.000 1 941 119 111 ILE CA C 60.001 0.000 1 942 119 111 ILE CB C 38.153 0.000 1 943 119 111 ILE CD1 C 14.878 0.000 1 944 119 111 ILE N N 128.721 0.000 1 945 120 112 LEU H H 8.223 0.000 1 946 120 112 LEU HA H 3.959 0.000 1 947 120 112 LEU HB2 H 2.005 0.000 2 948 120 112 LEU HB3 H 2.005 0.000 2 949 120 112 LEU HG H 1.689 0.000 1 950 120 112 LEU HD1 H 0.909 0.000 2 951 120 112 LEU HD2 H 0.757 0.000 2 952 120 112 LEU C C 178.800 0.000 1 953 120 112 LEU CA C 56.706 0.000 1 954 120 112 LEU CB C 40.781 0.000 1 955 120 112 LEU CG C 27.108 0.000 1 956 120 112 LEU CD1 C 25.448 0.000 1 957 120 112 LEU CD2 C 22.591 0.000 1 958 120 112 LEU N N 119.030 0.000 1 959 121 113 THR H H 7.839 0.000 1 960 121 113 THR HA H 4.476 0.000 1 961 121 113 THR HB H 4.401 0.000 1 962 121 113 THR C C 174.800 0.000 1 963 121 113 THR CA C 60.965 0.000 1 964 121 113 THR CB C 69.706 0.000 1 965 121 113 THR N N 108.444 0.000 1 966 122 114 LYS H H 7.293 0.000 1 967 122 114 LYS HA H 4.019 0.000 1 968 122 114 LYS HB2 H 1.630 0.000 2 969 122 114 LYS HB3 H 1.630 0.000 2 970 122 114 LYS C C 175.100 0.000 1 971 122 114 LYS CA C 54.526 0.000 1 972 122 114 LYS CB C 32.896 0.000 1 973 122 114 LYS N N 124.192 0.000 1 974 123 115 GLU H H 8.094 0.000 1 975 123 115 GLU HA H 4.974 0.000 1 976 123 115 GLU HB2 H 1.935 0.000 2 977 123 115 GLU HB3 H 1.695 0.000 2 978 123 115 GLU HG2 H 2.296 0.000 2 979 123 115 GLU HG3 H 2.189 0.000 2 980 123 115 GLU C C 174.700 0.000 1 981 123 115 GLU CA C 55.052 0.000 1 982 123 115 GLU CB C 31.794 0.000 1 983 123 115 GLU CG C 35.549 0.000 1 984 123 115 GLU N N 123.448 0.000 1 985 124 116 PHE H H 7.414 0.000 1 986 124 116 PHE CA C 56.000 0.000 1 987 124 116 PHE CB C 39.500 0.000 1 988 124 116 PHE N N 119.939 0.000 1 989 125 117 PRO HA H 4.382 0.000 1 990 125 117 PRO HB2 H 1.568 0.000 2 991 125 117 PRO HB3 H 1.568 0.000 2 992 125 117 PRO C C 174.800 0.000 1 993 125 117 PRO CA C 62.267 0.000 1 994 125 117 PRO CB C 31.922 0.000 1 995 126 118 GLU H H 8.019 0.000 1 996 126 118 GLU HA H 4.177 0.000 1 997 126 118 GLU HB2 H 1.940 0.000 2 998 126 118 GLU HB3 H 1.875 0.000 2 999 126 118 GLU HG2 H 2.253 0.000 2 1000 126 118 GLU HG3 H 2.253 0.000 2 1001 126 118 GLU C C 177.600 0.000 1 1002 126 118 GLU CA C 56.185 0.000 1 1003 126 118 GLU CB C 30.260 0.000 1 1004 126 118 GLU CG C 36.382 0.000 1 1005 126 118 GLU N N 117.777 0.000 1 1006 127 119 ASN H H 8.853 0.000 1 1007 127 119 ASN HA H 4.301 0.000 1 1008 127 119 ASN HB2 H 3.069 0.000 2 1009 127 119 ASN HB3 H 3.069 0.000 2 1010 127 119 ASN HD21 H 7.526 0.000 2 1011 127 119 ASN HD22 H 6.775 0.000 2 1012 127 119 ASN C C 173.600 0.000 1 1013 127 119 ASN CA C 54.010 0.000 1 1014 127 119 ASN CB C 36.661 0.000 1 1015 127 119 ASN N N 115.937 0.000 1 1016 127 119 ASN ND2 N 113.990 0.000 1 1017 128 120 ASN H H 7.992 0.000 1 1018 128 120 ASN HA H 4.421 0.000 1 1019 128 120 ASN HB2 H 1.684 0.000 2 1020 128 120 ASN HB3 H 1.684 0.000 2 1021 128 120 ASN C C 175.600 0.000 1 1022 128 120 ASN CA C 55.508 0.000 1 1023 128 120 ASN CB C 43.631 0.000 1 1024 128 120 ASN N N 116.244 0.000 1 1025 129 121 PHE H H 8.287 0.000 1 1026 129 121 PHE HA H 4.716 0.000 1 1027 129 121 PHE HB2 H 2.755 0.000 2 1028 129 121 PHE HB3 H 2.480 0.000 2 1029 129 121 PHE C C 174.900 0.000 1 1030 129 121 PHE CA C 58.017 0.000 1 1031 129 121 PHE CB C 41.891 0.000 1 1032 129 121 PHE N N 111.354 0.000 1 1033 130 122 ASP H H 9.589 0.000 1 1034 130 122 ASP HA H 4.588 0.000 1 1035 130 122 ASP HB2 H 2.735 0.000 2 1036 130 122 ASP HB3 H 2.735 0.000 2 1037 130 122 ASP C C 175.500 0.000 1 1038 130 122 ASP CA C 56.580 0.000 1 1039 130 122 ASP CB C 43.571 0.000 1 1040 130 122 ASP N N 122.795 0.000 1 1041 131 123 LEU H H 7.577 0.000 1 1042 131 123 LEU HA H 5.631 0.000 1 1043 131 123 LEU HB2 H 1.388 0.000 2 1044 131 123 LEU HB3 H 1.388 0.000 2 1045 131 123 LEU HD1 H 0.700 0.000 2 1046 131 123 LEU HD2 H 0.983 0.000 2 1047 131 123 LEU C C 174.600 0.000 1 1048 131 123 LEU CA C 53.673 0.000 1 1049 131 123 LEU CB C 46.180 0.000 1 1050 131 123 LEU CD1 C 26.575 0.000 1 1051 131 123 LEU CD2 C 24.300 0.000 1 1052 131 123 LEU N N 119.108 0.000 1 1053 132 124 ILE H H 8.696 0.000 1 1054 132 124 ILE HG2 H 0.906 0.000 1 1055 132 124 ILE HD1 H 0.915 0.000 1 1056 132 124 ILE CG2 C 17.322 0.000 1 1057 132 124 ILE CD1 C 14.536 0.000 1 1058 132 124 ILE N N 127.706 0.000 1 1059 133 125 TYR HA H 6.063 0.000 1 1060 133 125 TYR HB2 H 2.693 0.000 2 1061 133 125 TYR HB3 H 2.693 0.000 2 1062 133 125 TYR C C 174.000 0.000 1 1063 133 125 TYR CA C 54.171 0.000 1 1064 133 125 TYR CB C 43.591 0.000 1 1065 134 126 SER H H 7.886 0.000 1 1066 134 126 SER C C 173.000 0.000 1 1067 134 126 SER CA C 58.000 0.000 1 1068 134 126 SER CB C 65.010 0.000 1 1069 134 126 SER N N 116.661 0.000 1 1070 135 127 ARG H H 9.780 0.000 1 1071 135 127 ARG C C 174.100 0.000 1 1072 135 127 ARG CA C 51.425 0.000 1 1073 135 127 ARG N N 128.600 0.000 1 1074 136 128 ASP H H 8.790 0.000 1 1075 136 128 ASP HA H 5.361 0.000 1 1076 136 128 ASP C C 173.400 0.000 1 1077 136 128 ASP CA C 54.129 0.000 1 1078 136 128 ASP N N 126.240 0.000 1 1079 137 129 ALA H H 9.170 0.000 1 1080 137 129 ALA HA H 4.831 0.000 1 1081 137 129 ALA HB H 1.444 0.000 1 1082 137 129 ALA CA C 52.475 0.000 1 1083 137 129 ALA CB C 22.777 0.000 1 1084 137 129 ALA N N 118.220 0.000 1 1085 140 132 HIS HA H 4.530 0.000 1 1086 140 132 HIS HB2 H 3.110 0.000 2 1087 140 132 HIS HB3 H 2.992 0.000 2 1088 140 132 HIS C C 176.900 0.000 1 1089 140 132 HIS CA C 58.400 0.000 1 1090 140 132 HIS CB C 30.900 0.000 1 1091 141 133 LEU H H 8.269 0.000 1 1092 141 133 LEU HA H 4.628 0.000 1 1093 141 133 LEU HG H 1.708 0.000 1 1094 141 133 LEU HD1 H 0.770 0.000 2 1095 141 133 LEU HD2 H 0.789 0.000 2 1096 141 133 LEU C C 177.100 0.000 1 1097 141 133 LEU CA C 54.754 0.000 1 1098 141 133 LEU CB C 42.200 0.000 1 1099 141 133 LEU CG C 28.645 0.000 1 1100 141 133 LEU CD1 C 25.743 0.000 1 1101 141 133 LEU CD2 C 24.353 0.000 1 1102 141 133 LEU N N 122.426 0.000 1 1103 142 134 SER H H 8.707 0.000 1 1104 142 134 SER HA H 4.481 0.000 1 1105 142 134 SER C C 174.300 0.000 1 1106 142 134 SER CA C 56.896 0.000 1 1107 142 134 SER CB C 63.900 0.000 1 1108 142 134 SER N N 117.231 0.000 1 1109 143 135 LEU H H 9.137 0.000 1 1110 143 135 LEU HA H 3.688 0.000 1 1111 143 135 LEU HB2 H 1.761 0.000 2 1112 143 135 LEU HB3 H 1.761 0.000 2 1113 143 135 LEU HD1 H 0.831 0.000 2 1114 143 135 LEU C C 179.600 0.000 1 1115 143 135 LEU CA C 59.423 0.000 1 1116 143 135 LEU CB C 41.818 0.000 1 1117 143 135 LEU CD1 C 25.057 0.000 1 1118 143 135 LEU N N 123.094 0.000 1 1119 144 136 GLU H H 8.971 0.000 1 1120 144 136 GLU HA H 4.026 0.000 1 1121 144 136 GLU HB2 H 1.978 0.000 2 1122 144 136 GLU HB3 H 1.826 0.000 2 1123 144 136 GLU HG2 H 2.200 0.000 2 1124 144 136 GLU HG3 H 2.200 0.000 2 1125 144 136 GLU C C 179.100 0.000 1 1126 144 136 GLU CA C 59.784 0.000 1 1127 144 136 GLU CB C 29.044 0.000 1 1128 144 136 GLU CG C 36.280 0.000 1 1129 144 136 GLU N N 118.191 0.000 1 1130 145 137 ASN H H 7.550 0.000 1 1131 145 137 ASN HA H 4.802 0.000 1 1132 145 137 ASN HB2 H 2.933 0.000 2 1133 145 137 ASN HB3 H 2.515 0.000 2 1134 145 137 ASN C C 177.500 0.000 1 1135 145 137 ASN CA C 55.028 0.000 1 1136 145 137 ASN CB C 37.554 0.000 1 1137 145 137 ASN N N 119.343 0.000 1 1138 146 138 LYS H H 9.030 0.000 1 1139 146 138 LYS HA H 3.376 0.000 1 1140 146 138 LYS HG2 H 0.820 0.000 2 1141 146 138 LYS HG3 H 0.820 0.000 2 1142 146 138 LYS C C 176.900 0.000 1 1143 146 138 LYS CA C 60.593 0.000 1 1144 146 138 LYS CG C 23.743 0.000 1 1145 146 138 LYS N N 123.393 0.000 1 1146 147 139 ASN H H 7.274 0.000 1 1147 147 139 ASN HA H 4.018 0.000 1 1148 147 139 ASN HB2 H 2.744 0.000 2 1149 147 139 ASN HB3 H 2.525 0.000 2 1150 147 139 ASN HD21 H 6.702 0.000 2 1151 147 139 ASN HD22 H 7.073 0.000 2 1152 147 139 ASN C C 176.700 0.000 1 1153 147 139 ASN CA C 57.495 0.000 1 1154 147 139 ASN CB C 39.618 0.000 1 1155 147 139 ASN N N 114.746 0.000 1 1156 147 139 ASN ND2 N 111.367 0.000 1 1157 148 140 LYS H H 7.760 0.000 1 1158 148 140 LYS HA H 3.911 0.000 1 1159 148 140 LYS HB2 H 1.995 0.000 2 1160 148 140 LYS HB3 H 1.908 0.000 2 1161 148 140 LYS HG2 H 1.460 0.000 2 1162 148 140 LYS HG3 H 1.302 0.000 2 1163 148 140 LYS HD2 H 1.749 0.000 2 1164 148 140 LYS HD3 H 1.749 0.000 2 1165 148 140 LYS HE2 H 3.038 0.000 2 1166 148 140 LYS HE3 H 3.038 0.000 2 1167 148 140 LYS C C 179.300 0.000 1 1168 148 140 LYS CA C 59.777 0.000 1 1169 148 140 LYS CB C 32.835 0.000 1 1170 148 140 LYS CG C 25.271 0.000 1 1171 148 140 LYS CD C 29.649 0.000 1 1172 148 140 LYS CE C 42.199 0.000 1 1173 148 140 LYS N N 117.560 0.000 1 1174 149 141 LEU H H 8.317 0.000 1 1175 149 141 LEU HA H 3.790 0.000 1 1176 149 141 LEU HB2 H 1.593 0.000 2 1177 149 141 LEU HB3 H 1.593 0.000 2 1178 149 141 LEU HD1 H 0.570 0.000 2 1179 149 141 LEU HD2 H 0.802 0.000 2 1180 149 141 LEU C C 179.200 0.000 1 1181 149 141 LEU CA C 57.514 0.000 1 1182 149 141 LEU CB C 40.935 0.000 1 1183 149 141 LEU CD1 C 26.789 0.000 1 1184 149 141 LEU CD2 C 23.753 0.000 1 1185 149 141 LEU N N 119.265 0.000 1 1186 150 142 PHE H H 8.462 0.000 1 1187 150 142 PHE HA H 4.561 0.000 1 1188 150 142 PHE HB2 H 3.331 0.000 2 1189 150 142 PHE HB3 H 3.271 0.000 2 1190 150 142 PHE C C 178.500 0.000 1 1191 150 142 PHE CA C 60.585 0.000 1 1192 150 142 PHE CB C 38.134 0.000 1 1193 150 142 PHE N N 119.822 0.000 1 1194 151 143 GLN H H 8.204 0.000 1 1195 151 143 GLN HA H 4.083 0.000 1 1196 151 143 GLN HB2 H 2.296 0.000 2 1197 151 143 GLN HB3 H 2.396 0.000 2 1198 151 143 GLN HG2 H 2.627 0.000 2 1199 151 143 GLN HG3 H 2.390 0.000 2 1200 151 143 GLN HE21 H 6.803 0.000 2 1201 151 143 GLN HE22 H 7.448 0.000 2 1202 151 143 GLN C C 180.000 0.000 1 1203 151 143 GLN CA C 59.633 0.000 1 1204 151 143 GLN CB C 28.533 0.000 1 1205 151 143 GLN CG C 34.004 0.000 1 1206 151 143 GLN N N 119.875 0.000 1 1207 151 143 GLN NE2 N 111.343 0.000 1 1208 152 144 LYS H H 7.487 0.000 1 1209 152 144 LYS HA H 3.414 0.000 1 1210 152 144 LYS HB2 H 1.568 0.000 2 1211 152 144 LYS HB3 H 1.568 0.000 2 1212 152 144 LYS HE2 H 2.896 0.000 2 1213 152 144 LYS HE3 H 2.896 0.000 2 1214 152 144 LYS C C 177.100 0.000 1 1215 152 144 LYS CA C 60.011 0.000 1 1216 152 144 LYS CB C 30.087 0.000 1 1217 152 144 LYS CE C 42.007 0.000 1 1218 152 144 LYS N N 121.560 0.000 1 1219 153 145 CYS H H 8.548 0.000 1 1220 153 145 CYS HA H 3.954 0.000 1 1221 153 145 CYS C C 175.600 0.000 1 1222 153 145 CYS CA C 64.145 0.000 1 1223 153 145 CYS CB C 27.600 0.000 1 1224 153 145 CYS N N 114.175 0.000 1 1225 154 146 TYR H H 8.112 0.000 1 1226 154 146 TYR HA H 3.539 0.000 1 1227 154 146 TYR HB2 H 3.177 0.000 2 1228 154 146 TYR HB3 H 3.177 0.000 2 1229 154 146 TYR C C 177.300 0.000 1 1230 154 146 TYR CA C 63.010 0.000 1 1231 154 146 TYR CB C 37.814 0.000 1 1232 154 146 TYR N N 117.826 0.000 1 1233 155 147 LYS H H 7.034 0.000 1 1234 155 147 LYS HA H 3.917 0.000 1 1235 155 147 LYS HB2 H 1.968 0.000 2 1236 155 147 LYS HB3 H 1.968 0.000 2 1237 155 147 LYS HG2 H 1.579 0.000 2 1238 155 147 LYS HG3 H 1.579 0.000 2 1239 155 147 LYS HD2 H 1.704 0.000 2 1240 155 147 LYS HD3 H 1.704 0.000 2 1241 155 147 LYS HE2 H 2.991 0.000 2 1242 155 147 LYS HE3 H 2.991 0.000 2 1243 155 147 LYS C C 178.400 0.000 1 1244 155 147 LYS CA C 59.564 0.000 1 1245 155 147 LYS CB C 32.616 0.000 1 1246 155 147 LYS CG C 25.204 0.000 1 1247 155 147 LYS CD C 29.361 0.000 1 1248 155 147 LYS CE C 42.155 0.000 1 1249 155 147 LYS N N 118.121 0.000 1 1250 156 148 TRP H H 8.439 0.000 1 1251 156 148 TRP HA H 5.031 0.000 1 1252 156 148 TRP HB2 H 2.368 0.000 2 1253 156 148 TRP HB3 H 2.368 0.000 2 1254 156 148 TRP HE1 H 10.579 0.000 1 1255 156 148 TRP C C 177.900 0.000 1 1256 156 148 TRP CA C 56.345 0.000 1 1257 156 148 TRP CB C 31.421 0.000 1 1258 156 148 TRP N N 116.438 0.000 1 1259 156 148 TRP NE1 N 128.074 0.000 1 1260 157 149 LEU H H 7.843 0.000 1 1261 157 149 LEU HD1 H -0.073 0.000 2 1262 157 149 LEU HD2 H 0.308 0.000 2 1263 157 149 LEU C C 176.400 0.000 1 1264 157 149 LEU CA C 55.526 0.000 1 1265 157 149 LEU CB C 43.960 0.000 1 1266 157 149 LEU CD1 C 25.575 0.000 1 1267 157 149 LEU CD2 C 23.510 0.000 1 1268 157 149 LEU N N 123.852 0.000 1 1269 159 151 PRO HG2 H 2.122 0.000 2 1270 159 151 PRO HG3 H 1.989 0.000 2 1271 159 151 PRO HD2 H 3.761 0.000 2 1272 159 151 PRO HD3 H 3.705 0.000 2 1273 159 151 PRO CG C 28.008 0.000 1 1274 159 151 PRO CD C 49.852 0.000 1 1275 160 152 THR HA H 4.383 0.000 1 1276 160 152 THR HB H 4.664 0.000 1 1277 160 152 THR HG2 H 1.188 0.000 1 1278 160 152 THR C C 175.100 0.000 1 1279 160 152 THR CA C 61.578 0.000 1 1280 160 152 THR CB C 68.885 0.000 1 1281 160 152 THR CG2 C 21.642 0.000 1 1282 161 153 GLY H H 8.451 0.000 1 1283 161 153 GLY HA2 H 4.717 0.000 2 1284 161 153 GLY HA3 H 3.745 0.000 2 1285 161 153 GLY C C 172.700 0.000 1 1286 161 153 GLY CA C 46.082 0.000 1 1287 161 153 GLY N N 111.299 0.000 1 1288 162 154 THR H H 7.759 0.000 1 1289 162 154 THR HA H 5.008 0.000 1 1290 162 154 THR HB H 3.869 0.000 1 1291 162 154 THR HG2 H 1.184 0.000 1 1292 162 154 THR C C 175.400 0.000 1 1293 162 154 THR CA C 62.773 0.000 1 1294 162 154 THR CB C 72.289 0.000 1 1295 162 154 THR CG2 C 21.731 0.000 1 1296 162 154 THR N N 116.047 0.000 1 1297 163 155 LEU H H 9.164 0.000 1 1298 163 155 LEU HA H 5.101 0.000 1 1299 163 155 LEU HB2 H 1.437 0.000 2 1300 163 155 LEU HB3 H 1.437 0.000 2 1301 163 155 LEU HD1 H 0.784 0.000 2 1302 163 155 LEU HD2 H -0.089 0.000 2 1303 163 155 LEU C C 173.400 0.000 1 1304 163 155 LEU CA C 53.273 0.000 1 1305 163 155 LEU CB C 46.129 0.000 1 1306 163 155 LEU CD1 C 23.935 0.000 1 1307 163 155 LEU CD2 C 26.450 0.000 1 1308 163 155 LEU N N 130.242 0.000 1 1309 164 156 LEU H H 9.212 0.000 1 1310 164 156 LEU HA H 5.152 0.000 1 1311 164 156 LEU HB2 H 2.502 0.000 2 1312 164 156 LEU HB3 H 2.502 0.000 2 1313 164 156 LEU HG H 1.021 0.000 1 1314 164 156 LEU HD1 H 0.871 0.000 2 1315 164 156 LEU C C 173.300 0.000 1 1316 164 156 LEU CA C 54.173 0.000 1 1317 164 156 LEU CB C 47.328 0.000 1 1318 164 156 LEU CG C 26.873 0.000 1 1319 164 156 LEU CD1 C 24.068 0.000 1 1320 164 156 LEU N N 130.514 0.000 1 1321 165 157 ILE H H 8.963 0.000 1 1322 165 157 ILE HA H 5.292 0.000 1 1323 165 157 ILE HB H 1.642 0.000 1 1324 165 157 ILE HG12 H 1.346 0.000 2 1325 165 157 ILE HG13 H 1.030 0.000 2 1326 165 157 ILE HG2 H 0.960 0.000 1 1327 165 157 ILE HD1 H 0.781 0.000 1 1328 165 157 ILE C C 177.600 0.000 1 1329 165 157 ILE CA C 58.197 0.000 1 1330 165 157 ILE CB C 44.306 0.000 1 1331 165 157 ILE CG1 C 27.700 0.000 1 1332 165 157 ILE CG2 C 18.672 0.000 1 1333 165 157 ILE CD1 C 14.410 0.000 1 1334 165 157 ILE N N 124.889 0.000 1 1335 166 158 THR H H 8.774 0.000 1 1336 166 158 THR HA H 4.777 0.000 1 1337 166 158 THR HB H 3.772 0.000 1 1338 166 158 THR C C 174.900 0.000 1 1339 166 158 THR CA C 60.726 0.000 1 1340 166 158 THR CB C 76.641 0.000 1 1341 166 158 THR N N 112.550 0.000 1 1342 167 159 ASP H H 9.050 0.000 1 1343 167 159 ASP HA H 4.528 0.000 1 1344 167 159 ASP C C 176.100 0.000 1 1345 167 159 ASP CA C 53.306 0.000 1 1346 167 159 ASP CB C 43.900 0.000 1 1347 167 159 ASP N N 123.643 0.000 1 1348 168 160 TYR H H 8.342 0.000 1 1349 168 160 TYR HA H 4.033 0.000 1 1350 168 160 TYR HB2 H 3.023 0.000 2 1351 168 160 TYR HB3 H 3.023 0.000 2 1352 168 160 TYR C C 174.900 0.000 1 1353 168 160 TYR CA C 58.090 0.000 1 1354 168 160 TYR CB C 38.080 0.000 1 1355 168 160 TYR N N 121.532 0.000 1 1356 169 161 CYS H H 9.025 0.000 1 1357 169 161 CYS HA H 5.149 0.000 1 1358 169 161 CYS C C 172.500 0.000 1 1359 169 161 CYS CA C 58.410 0.000 1 1360 169 161 CYS CB C 43.394 0.000 1 1361 169 161 CYS N N 120.766 0.000 1 1362 170 162 ALA H H 8.229 0.000 1 1363 170 162 ALA HA H 5.269 0.000 1 1364 170 162 ALA HB H 1.729 0.000 1 1365 170 162 ALA C C 177.300 0.000 1 1366 170 162 ALA CA C 51.353 0.000 1 1367 170 162 ALA CB C 24.761 0.000 1 1368 170 162 ALA N N 122.361 0.000 1 1369 171 163 THR H H 7.862 0.000 1 1370 171 163 THR HA H 4.475 0.000 1 1371 171 163 THR HB H 4.416 0.000 1 1372 171 163 THR HG2 H 1.482 0.000 1 1373 171 163 THR C C 173.400 0.000 1 1374 171 163 THR CA C 61.117 0.000 1 1375 171 163 THR CB C 68.895 0.000 1 1376 171 163 THR CG2 C 22.308 0.000 1 1377 171 163 THR N N 111.330 0.000 1 1378 172 164 GLU H H 8.913 0.000 1 1379 172 164 GLU HA H 4.008 0.000 1 1380 172 164 GLU HB2 H 2.196 0.000 2 1381 172 164 GLU HB3 H 2.018 0.000 2 1382 172 164 GLU HG2 H 2.581 0.000 2 1383 172 164 GLU HG3 H 2.413 0.000 2 1384 172 164 GLU C C 178.200 0.000 1 1385 172 164 GLU CA C 59.119 0.000 1 1386 172 164 GLU CB C 29.102 0.000 1 1387 172 164 GLU CG C 37.133 0.000 1 1388 172 164 GLU N N 124.280 0.000 1 1389 173 165 LYS H H 8.329 0.000 1 1390 173 165 LYS HA H 2.060 0.000 1 1391 173 165 LYS HB2 H 1.170 0.000 2 1392 173 165 LYS HB3 H 1.135 0.000 2 1393 173 165 LYS HG2 H 0.813 0.000 2 1394 173 165 LYS HG3 H 0.567 0.000 2 1395 173 165 LYS HD2 H 1.230 0.000 2 1396 173 165 LYS HD3 H 1.183 0.000 2 1397 173 165 LYS HE2 H 2.785 0.000 2 1398 173 165 LYS HE3 H 2.785 0.000 2 1399 173 165 LYS C C 178.900 0.000 1 1400 173 165 LYS CA C 58.733 0.000 1 1401 173 165 LYS CB C 31.559 0.000 1 1402 173 165 LYS CG C 24.466 0.000 1 1403 173 165 LYS CD C 28.721 0.000 1 1404 173 165 LYS CE C 41.983 0.000 1 1405 173 165 LYS N N 122.439 0.000 1 1406 174 166 GLU H H 8.893 0.000 1 1407 174 166 GLU HA H 4.027 0.000 1 1408 174 166 GLU HB2 H 1.984 0.000 2 1409 174 166 GLU HB3 H 1.957 0.000 2 1410 174 166 GLU HG2 H 2.239 0.000 2 1411 174 166 GLU HG3 H 2.180 0.000 2 1412 174 166 GLU C C 176.800 0.000 1 1413 174 166 GLU CA C 58.839 0.000 1 1414 174 166 GLU CB C 28.586 0.000 1 1415 174 166 GLU CG C 36.322 0.000 1 1416 174 166 GLU N N 118.866 0.000 1 1417 175 167 ASN H H 8.255 0.000 1 1418 175 167 ASN HA H 4.858 0.000 1 1419 175 167 ASN HB2 H 3.080 0.000 2 1420 175 167 ASN HB3 H 3.031 0.000 2 1421 175 167 ASN C C 175.700 0.000 1 1422 175 167 ASN CA C 52.740 0.000 1 1423 175 167 ASN CB C 39.777 0.000 1 1424 175 167 ASN N N 115.067 0.000 1 1425 176 168 TRP H H 7.857 0.000 1 1426 176 168 TRP HA H 4.927 0.000 1 1427 176 168 TRP HB2 H 3.508 0.000 2 1428 176 168 TRP HB3 H 3.508 0.000 2 1429 176 168 TRP HE1 H 9.697 0.000 1 1430 176 168 TRP C C 176.400 0.000 1 1431 176 168 TRP CA C 57.110 0.000 1 1432 176 168 TRP CB C 30.326 0.000 1 1433 176 168 TRP N N 121.517 0.000 1 1434 176 168 TRP NE1 N 127.264 0.000 1 1435 177 169 ASP H H 7.357 0.000 1 1436 177 169 ASP HA H 5.023 0.000 1 1437 177 169 ASP HB2 H 3.372 0.000 2 1438 177 169 ASP HB3 H 3.346 0.000 2 1439 177 169 ASP C C 176.100 0.000 1 1440 177 169 ASP CA C 51.553 0.000 1 1441 177 169 ASP CB C 41.802 0.000 1 1442 177 169 ASP N N 120.791 0.000 1 1443 178 170 ASP H H 8.600 0.000 1 1444 178 170 ASP HA H 4.262 0.000 1 1445 178 170 ASP HB2 H 2.703 0.000 2 1446 178 170 ASP HB3 H 2.703 0.000 2 1447 178 170 ASP C C 179.000 0.000 1 1448 178 170 ASP CA C 58.174 0.000 1 1449 178 170 ASP CB C 40.368 0.000 1 1450 178 170 ASP N N 119.859 0.000 1 1451 179 171 GLU H H 8.460 0.000 1 1452 179 171 GLU HA H 4.027 0.000 1 1453 179 171 GLU HB2 H 2.117 0.000 2 1454 179 171 GLU HB3 H 1.944 0.000 2 1455 179 171 GLU HG2 H 2.475 0.000 2 1456 179 171 GLU HG3 H 2.347 0.000 2 1457 179 171 GLU C C 179.100 0.000 1 1458 179 171 GLU CA C 59.651 0.000 1 1459 179 171 GLU CB C 29.393 0.000 1 1460 179 171 GLU CG C 36.750 0.000 1 1461 179 171 GLU N N 120.500 0.000 1 1462 180 172 PHE H H 8.603 0.000 1 1463 180 172 PHE HA H 4.378 0.000 1 1464 180 172 PHE HB2 H 1.856 0.000 2 1465 180 172 PHE HB3 H 1.811 0.000 2 1466 180 172 PHE C C 177.400 0.000 1 1467 180 172 PHE CA C 61.600 0.000 1 1468 180 172 PHE CB C 40.016 0.000 1 1469 180 172 PHE N N 123.373 0.000 1 1470 181 173 LYS H H 8.604 0.000 1 1471 181 173 LYS HA H 4.009 0.000 1 1472 181 173 LYS HB2 H 2.006 0.000 2 1473 181 173 LYS HB3 H 2.006 0.000 2 1474 181 173 LYS C C 179.700 0.000 1 1475 181 173 LYS CA C 60.744 0.000 1 1476 181 173 LYS CB C 33.141 0.000 1 1477 181 173 LYS N N 116.982 0.000 1 1478 182 174 GLU H H 7.923 0.000 1 1479 182 174 GLU HA H 4.027 0.000 1 1480 182 174 GLU HB2 H 2.178 0.000 2 1481 182 174 GLU HB3 H 2.178 0.000 2 1482 182 174 GLU HG2 H 2.436 0.000 2 1483 182 174 GLU HG3 H 2.436 0.000 2 1484 182 174 GLU C C 177.700 0.000 1 1485 182 174 GLU CA C 58.998 0.000 1 1486 182 174 GLU CB C 29.391 0.000 1 1487 182 174 GLU CG C 35.698 0.000 1 1488 182 174 GLU N N 118.936 0.000 1 1489 183 175 TYR H H 7.791 0.000 1 1490 183 175 TYR HA H 4.065 0.000 1 1491 183 175 TYR HB2 H 3.165 0.000 2 1492 183 175 TYR HB3 H 3.093 0.000 2 1493 183 175 TYR C C 176.900 0.000 1 1494 183 175 TYR CA C 60.694 0.000 1 1495 183 175 TYR CB C 38.142 0.000 1 1496 183 175 TYR N N 122.971 0.000 1 1497 184 176 VAL H H 7.982 0.000 1 1498 184 176 VAL HA H 2.834 0.000 1 1499 184 176 VAL HB H 1.867 0.000 1 1500 184 176 VAL HG1 H 0.776 0.000 2 1501 184 176 VAL HG2 H 0.239 0.000 2 1502 184 176 VAL C C 178.600 0.000 1 1503 184 176 VAL CA C 66.641 0.000 1 1504 184 176 VAL CB C 31.878 0.000 1 1505 184 176 VAL CG1 C 22.518 0.000 1 1506 184 176 VAL CG2 C 23.005 0.000 1 1507 184 176 VAL N N 117.193 0.000 1 1508 185 177 LYS H H 7.599 0.000 1 1509 185 177 LYS HA H 4.012 0.000 1 1510 185 177 LYS HB2 H 2.011 0.000 2 1511 185 177 LYS HB3 H 2.095 0.000 2 1512 185 177 LYS HG2 H 1.742 0.000 2 1513 185 177 LYS HG3 H 1.742 0.000 2 1514 185 177 LYS HD2 H 1.797 0.000 2 1515 185 177 LYS HD3 H 1.797 0.000 2 1516 185 177 LYS HE2 H 2.969 0.000 2 1517 185 177 LYS HE3 H 2.969 0.000 2 1518 185 177 LYS C C 180.200 0.000 1 1519 185 177 LYS CA C 59.093 0.000 1 1520 185 177 LYS CB C 32.567 0.000 1 1521 185 177 LYS CG C 25.479 0.000 1 1522 185 177 LYS CD C 28.759 0.000 1 1523 185 177 LYS CE C 42.095 0.000 1 1524 185 177 LYS N N 119.859 0.000 1 1525 186 178 GLN H H 8.346 0.000 1 1526 186 178 GLN HA H 3.886 0.000 1 1527 186 178 GLN HB2 H 1.983 0.000 2 1528 186 178 GLN HB3 H 1.965 0.000 2 1529 186 178 GLN HG2 H 2.495 0.000 2 1530 186 178 GLN HG3 H 2.362 0.000 2 1531 186 178 GLN C C 178.100 0.000 1 1532 186 178 GLN CA C 58.435 0.000 1 1533 186 178 GLN CB C 28.423 0.000 1 1534 186 178 GLN CG C 33.852 0.000 1 1535 186 178 GLN N N 118.921 0.000 1 1536 187 179 ARG H H 7.180 0.000 1 1537 187 179 ARG HA H 3.666 0.000 1 1538 187 179 ARG C C 174.800 0.000 1 1539 187 179 ARG CA C 55.632 0.000 1 1540 187 179 ARG CB C 27.302 0.000 1 1541 187 179 ARG N N 115.304 0.000 1 1542 188 180 LYS H H 7.480 0.000 1 1543 188 180 LYS HA H 3.821 0.000 1 1544 188 180 LYS HB2 H 2.028 0.000 2 1545 188 180 LYS HB3 H 2.028 0.000 2 1546 188 180 LYS C C 176.400 0.000 1 1547 188 180 LYS CA C 57.584 0.000 1 1548 188 180 LYS CB C 28.783 0.000 1 1549 188 180 LYS N N 113.604 0.000 1 1550 189 181 TYR H H 7.080 0.000 1 1551 189 181 TYR HA H 4.759 0.000 1 1552 189 181 TYR HB2 H 2.825 0.000 2 1553 189 181 TYR HB3 H 2.667 0.000 2 1554 189 181 TYR HD1 H 7.319 0.000 1 1555 189 181 TYR HD2 H 7.319 0.000 1 1556 189 181 TYR HE1 H 6.739 0.000 1 1557 189 181 TYR HE2 H 6.739 0.000 1 1558 189 181 TYR C C 177.000 0.000 1 1559 189 181 TYR CA C 53.420 0.000 1 1560 189 181 TYR CB C 38.907 0.000 1 1561 189 181 TYR CD1 C 132.928 0.000 1 1562 189 181 TYR CE1 C 117.888 0.000 1 1563 189 181 TYR N N 116.341 0.000 1 1564 190 182 THR H H 8.664 0.000 1 1565 190 182 THR HA H 4.794 0.000 1 1566 190 182 THR HB H 4.587 0.000 1 1567 190 182 THR C C 174.000 0.000 1 1568 190 182 THR CA C 62.489 0.000 1 1569 190 182 THR CB C 76.351 0.000 1 1570 190 182 THR N N 119.077 0.000 1 1571 191 183 LEU H H 8.837 0.000 1 1572 191 183 LEU HA H 4.886 0.000 1 1573 191 183 LEU HB2 H 2.113 0.000 2 1574 191 183 LEU HB3 H 2.113 0.000 2 1575 191 183 LEU HD1 H 0.880 0.000 2 1576 191 183 LEU HD2 H 0.642 0.000 2 1577 191 183 LEU C C 175.700 0.000 1 1578 191 183 LEU CA C 53.308 0.000 1 1579 191 183 LEU CB C 44.075 0.000 1 1580 191 183 LEU CD1 C 26.833 0.000 1 1581 191 183 LEU CD2 C 23.796 0.000 1 1582 191 183 LEU N N 126.004 0.000 1 1583 192 184 ILE H H 8.284 0.000 1 1584 192 184 ILE HA H 5.005 0.000 1 1585 192 184 ILE HB H 2.775 0.000 1 1586 192 184 ILE HG2 H 0.839 0.000 1 1587 192 184 ILE HD1 H 0.464 0.000 1 1588 192 184 ILE C C 176.300 0.000 1 1589 192 184 ILE CA C 59.591 0.000 1 1590 192 184 ILE CB C 40.315 0.000 1 1591 192 184 ILE CG2 C 18.678 0.000 1 1592 192 184 ILE CD1 C 13.760 0.000 1 1593 192 184 ILE N N 116.807 0.000 1 1594 193 185 THR H H 8.819 0.000 1 1595 193 185 THR HA H 5.285 0.000 1 1596 193 185 THR HB H 4.966 0.000 1 1597 193 185 THR HG2 H 1.445 0.000 1 1598 193 185 THR C C 175.800 0.000 1 1599 193 185 THR CA C 61.054 0.000 1 1600 193 185 THR CB C 71.722 0.000 1 1601 193 185 THR CG2 C 21.492 0.000 1 1602 193 185 THR N N 111.765 0.000 1 1603 194 186 VAL H H 8.831 0.000 1 1604 194 186 VAL HA H 3.987 0.000 1 1605 194 186 VAL HB H 2.035 0.000 1 1606 194 186 VAL HG1 H 0.988 0.000 2 1607 194 186 VAL HG2 H 0.894 0.000 2 1608 194 186 VAL C C 177.600 0.000 1 1609 194 186 VAL CA C 66.904 0.000 1 1610 194 186 VAL CB C 32.631 0.000 1 1611 194 186 VAL CG1 C 21.872 0.000 1 1612 194 186 VAL CG2 C 21.114 0.000 1 1613 194 186 VAL N N 120.938 0.000 1 1614 195 187 GLU H H 8.613 0.000 1 1615 195 187 GLU HA H 4.198 0.000 1 1616 195 187 GLU HB2 H 2.048 0.000 2 1617 195 187 GLU HB3 H 2.048 0.000 2 1618 195 187 GLU HG2 H 2.493 0.000 2 1619 195 187 GLU HG3 H 2.493 0.000 2 1620 195 187 GLU C C 179.700 0.000 1 1621 195 187 GLU CA C 60.682 0.000 1 1622 195 187 GLU CB C 29.014 0.000 1 1623 195 187 GLU CG C 37.526 0.000 1 1624 195 187 GLU N N 117.933 0.000 1 1625 196 188 GLU H H 8.223 0.000 1 1626 196 188 GLU HA H 4.074 0.000 1 1627 196 188 GLU C C 179.100 0.000 1 1628 196 188 GLU CA C 58.913 0.000 1 1629 196 188 GLU CB C 30.491 0.000 1 1630 196 188 GLU N N 120.375 0.000 1 1631 197 189 TYR H H 8.379 0.000 1 1632 197 189 TYR HA H 3.592 0.000 1 1633 197 189 TYR HB2 H 3.278 0.000 2 1634 197 189 TYR HB3 H 3.278 0.000 2 1635 197 189 TYR HD1 H 5.941 0.000 1 1636 197 189 TYR HD2 H 5.941 0.000 1 1637 197 189 TYR HE1 H 6.279 0.000 1 1638 197 189 TYR HE2 H 6.279 0.000 1 1639 197 189 TYR C C 179.100 0.000 1 1640 197 189 TYR CA C 60.447 0.000 1 1641 197 189 TYR CB C 39.985 0.000 1 1642 197 189 TYR CD1 C 131.253 0.000 1 1643 197 189 TYR CE1 C 116.591 0.000 1 1644 197 189 TYR N N 125.286 0.000 1 1645 198 190 ALA H H 8.171 0.000 1 1646 198 190 ALA HA H 3.819 0.000 1 1647 198 190 ALA HB H 1.605 0.000 1 1648 198 190 ALA C C 179.800 0.000 1 1649 198 190 ALA CA C 55.664 0.000 1 1650 198 190 ALA CB C 17.889 0.000 1 1651 198 190 ALA N N 120.015 0.000 1 1652 199 191 ASP H H 7.859 0.000 1 1653 199 191 ASP HA H 4.547 0.000 1 1654 199 191 ASP HB2 H 2.895 0.000 2 1655 199 191 ASP HB3 H 2.623 0.000 2 1656 199 191 ASP C C 179.700 0.000 1 1657 199 191 ASP CA C 57.731 0.000 1 1658 199 191 ASP CB C 39.593 0.000 1 1659 199 191 ASP N N 117.770 0.000 1 1660 200 192 ILE H H 7.998 0.000 1 1661 200 192 ILE HA H 3.741 0.000 1 1662 200 192 ILE HB H 1.864 0.000 1 1663 200 192 ILE HG12 H 0.976 0.000 2 1664 200 192 ILE HG13 H 0.976 0.000 2 1665 200 192 ILE HG2 H 0.781 0.000 1 1666 200 192 ILE HD1 H 0.533 0.000 1 1667 200 192 ILE C C 178.400 0.000 1 1668 200 192 ILE CA C 65.770 0.000 1 1669 200 192 ILE CB C 37.813 0.000 1 1670 200 192 ILE CG1 C 28.497 0.000 1 1671 200 192 ILE CG2 C 17.362 0.000 1 1672 200 192 ILE CD1 C 14.145 0.000 1 1673 200 192 ILE N N 123.524 0.000 1 1674 201 193 LEU H H 7.524 0.000 1 1675 201 193 LEU HA H 3.732 0.000 1 1676 201 193 LEU HB2 H 1.969 0.000 2 1677 201 193 LEU HB3 H 1.969 0.000 2 1678 201 193 LEU HD1 H 0.230 0.000 2 1679 201 193 LEU HD2 H -0.645 0.000 2 1680 201 193 LEU C C 180.400 0.000 1 1681 201 193 LEU CA C 58.597 0.000 1 1682 201 193 LEU CB C 40.578 0.000 1 1683 201 193 LEU CD1 C 25.473 0.000 1 1684 201 193 LEU CD2 C 20.889 0.000 1 1685 201 193 LEU N N 119.280 0.000 1 1686 202 194 THR H H 8.504 0.000 1 1687 202 194 THR HA H 4.067 0.000 1 1688 202 194 THR HB H 4.291 0.000 1 1689 202 194 THR HG2 H 1.302 0.000 1 1690 202 194 THR C C 178.600 0.000 1 1691 202 194 THR CA C 66.800 0.000 1 1692 202 194 THR CB C 68.577 0.000 1 1693 202 194 THR CG2 C 22.001 0.000 1 1694 202 194 THR N N 117.685 0.000 1 1695 203 195 ALA H H 8.451 0.000 1 1696 203 195 ALA HA H 4.174 0.000 1 1697 203 195 ALA HB H 1.568 0.000 1 1698 203 195 ALA C C 179.300 0.000 1 1699 203 195 ALA CA C 54.867 0.000 1 1700 203 195 ALA CB C 17.890 0.000 1 1701 203 195 ALA N N 127.447 0.000 1 1702 204 196 CYS H H 7.599 0.000 1 1703 204 196 CYS HA H 4.192 0.000 1 1704 204 196 CYS HB2 H 3.094 0.000 2 1705 204 196 CYS HB3 H 2.834 0.000 2 1706 204 196 CYS C C 173.000 0.000 1 1707 204 196 CYS CA C 60.698 0.000 1 1708 204 196 CYS CB C 27.110 0.000 1 1709 204 196 CYS N N 115.559 0.000 1 1710 205 197 ASN H H 7.618 0.000 1 1711 205 197 ASN HA H 4.198 0.000 1 1712 205 197 ASN HB2 H 2.393 0.000 2 1713 205 197 ASN HB3 H 2.098 0.000 2 1714 205 197 ASN HD21 H 6.523 0.000 2 1715 205 197 ASN HD22 H 6.523 0.000 2 1716 205 197 ASN C C 174.600 0.000 1 1717 205 197 ASN CA C 55.028 0.000 1 1718 205 197 ASN CB C 35.968 0.000 1 1719 205 197 ASN N N 108.333 0.000 1 1720 205 197 ASN ND2 N 112.006 0.000 1 1721 206 198 PHE H H 7.517 0.000 1 1722 206 198 PHE HA H 4.318 0.000 1 1723 206 198 PHE HB2 H 2.858 0.000 2 1724 206 198 PHE HB3 H 2.858 0.000 2 1725 206 198 PHE C C 175.400 0.000 1 1726 206 198 PHE CA C 61.614 0.000 1 1727 206 198 PHE CB C 38.867 0.000 1 1728 206 198 PHE N N 116.075 0.000 1 1729 207 199 LYS H H 8.962 0.000 1 1730 207 199 LYS HA H 4.614 0.000 1 1731 207 199 LYS HB2 H 1.715 0.000 2 1732 207 199 LYS HB3 H 1.556 0.000 2 1733 207 199 LYS HG2 H 1.485 0.000 2 1734 207 199 LYS HG3 H 1.431 0.000 2 1735 207 199 LYS HD2 H 1.598 0.000 2 1736 207 199 LYS HD3 H 1.598 0.000 2 1737 207 199 LYS HE2 H 3.047 0.000 2 1738 207 199 LYS HE3 H 3.047 0.000 2 1739 207 199 LYS C C 175.400 0.000 1 1740 207 199 LYS CA C 53.376 0.000 1 1741 207 199 LYS CB C 34.993 0.000 1 1742 207 199 LYS CG C 24.806 0.000 1 1743 207 199 LYS CD C 28.060 0.000 1 1744 207 199 LYS CE C 42.775 0.000 1 1745 207 199 LYS N N 120.053 0.000 1 1746 208 200 ASN H H 8.717 0.000 1 1747 208 200 ASN HA H 4.246 0.000 1 1748 208 200 ASN HB2 H 2.907 0.000 2 1749 208 200 ASN HB3 H 2.907 0.000 2 1750 208 200 ASN C C 174.200 0.000 1 1751 208 200 ASN CA C 53.774 0.000 1 1752 208 200 ASN CB C 38.006 0.000 1 1753 208 200 ASN N N 115.559 0.000 1 1754 209 201 VAL H H 8.086 0.000 1 1755 209 201 VAL HA H 4.184 0.000 1 1756 209 201 VAL HB H 0.999 0.000 1 1757 209 201 VAL HG1 H 0.789 0.000 2 1758 209 201 VAL HG2 H 0.895 0.000 2 1759 209 201 VAL C C 176.900 0.000 1 1760 209 201 VAL CA C 63.844 0.000 1 1761 209 201 VAL CB C 31.944 0.000 1 1762 209 201 VAL CG1 C 22.326 0.000 1 1763 209 201 VAL CG2 C 21.152 0.000 1 1764 209 201 VAL N N 116.950 0.000 1 1765 210 202 VAL H H 9.707 0.000 1 1766 210 202 VAL HA H 4.294 0.000 1 1767 210 202 VAL HB H 2.155 0.000 1 1768 210 202 VAL HG1 H 0.987 0.000 2 1769 210 202 VAL HG2 H 1.034 0.000 2 1770 210 202 VAL C C 174.100 0.000 1 1771 210 202 VAL CA C 61.749 0.000 1 1772 210 202 VAL CB C 34.256 0.000 1 1773 210 202 VAL CG1 C 21.112 0.000 1 1774 210 202 VAL CG2 C 21.126 0.000 1 1775 210 202 VAL N N 133.873 0.000 1 1776 211 203 SER H H 8.255 0.000 1 1777 211 203 SER HA H 5.447 0.000 1 1778 211 203 SER HB2 H 3.637 0.000 2 1779 211 203 SER HB3 H 3.637 0.000 2 1780 211 203 SER C C 174.200 0.000 1 1781 211 203 SER CA C 54.706 0.000 1 1782 211 203 SER CB C 67.019 0.000 1 1783 211 203 SER N N 118.917 0.000 1 1784 212 204 LYS H H 8.869 0.000 1 1785 212 204 LYS HA H 4.509 0.000 1 1786 212 204 LYS HB2 H 1.532 0.000 2 1787 212 204 LYS HB3 H 1.286 0.000 2 1788 212 204 LYS HG2 H 1.244 0.000 2 1789 212 204 LYS HG3 H 1.069 0.000 2 1790 212 204 LYS HD2 H 1.355 0.000 2 1791 212 204 LYS HD3 H 1.084 0.000 2 1792 212 204 LYS HE2 H 2.615 0.000 2 1793 212 204 LYS HE3 H 2.615 0.000 2 1794 212 204 LYS C C 173.600 0.000 1 1795 212 204 LYS CA C 54.630 0.000 1 1796 212 204 LYS CB C 37.383 0.000 1 1797 212 204 LYS CG C 25.232 0.000 1 1798 212 204 LYS CD C 29.206 0.000 1 1799 212 204 LYS CE C 41.949 0.000 1 1800 212 204 LYS N N 120.969 0.000 1 1801 213 205 ASP H H 8.556 0.000 1 1802 213 205 ASP HA H 4.730 0.000 1 1803 213 205 ASP HB2 H 2.434 0.000 2 1804 213 205 ASP HB3 H 2.434 0.000 2 1805 213 205 ASP C C 176.900 0.000 1 1806 213 205 ASP CA C 53.361 0.000 1 1807 213 205 ASP CB C 40.925 0.000 1 1808 213 205 ASP N N 121.257 0.000 1 1809 214 206 LEU H H 9.292 0.000 1 1810 214 206 LEU HA H 5.069 0.000 1 1811 214 206 LEU HB2 H 2.313 0.000 2 1812 214 206 LEU HB3 H 2.313 0.000 2 1813 214 206 LEU HD1 H 0.320 0.000 2 1814 214 206 LEU HD2 H 0.545 0.000 2 1815 214 206 LEU C C 178.900 0.000 1 1816 214 206 LEU CA C 53.465 0.000 1 1817 214 206 LEU CB C 42.081 0.000 1 1818 214 206 LEU CD1 C 25.632 0.000 1 1819 214 206 LEU CD2 C 22.759 0.000 1 1820 214 206 LEU N N 129.359 0.000 1 1821 215 207 SER H H 9.098 0.000 1 1822 215 207 SER HB2 H 3.641 0.000 2 1823 215 207 SER HB3 H 3.641 0.000 2 1824 215 207 SER CB C 67.490 0.000 1 1825 215 207 SER N N 119.449 0.000 1 1826 216 208 ASP HA H 4.552 0.000 1 1827 216 208 ASP HB2 H 2.753 0.000 2 1828 216 208 ASP HB3 H 2.753 0.000 2 1829 216 208 ASP C C 178.500 0.000 1 1830 216 208 ASP CA C 57.702 0.000 1 1831 216 208 ASP CB C 39.600 0.000 1 1832 217 209 TYR H H 7.927 0.000 1 1833 217 209 TYR C C 176.900 0.000 1 1834 217 209 TYR CA C 58.841 0.000 1 1835 217 209 TYR CB C 38.290 0.000 1 1836 217 209 TYR N N 124.077 0.000 1 1837 218 210 TRP H H 8.870 0.000 1 1838 218 210 TRP C C 177.300 0.000 1 1839 218 210 TRP CA C 59.730 0.000 1 1840 218 210 TRP N N 120.640 0.000 1 1841 219 211 ASN H H 8.170 0.000 1 1842 219 211 ASN HA H 3.939 0.000 1 1843 219 211 ASN HB2 H 2.824 0.000 2 1844 219 211 ASN HB3 H 2.824 0.000 2 1845 219 211 ASN HD21 H 7.398 0.000 2 1846 219 211 ASN HD22 H 7.398 0.000 2 1847 219 211 ASN C C 177.000 0.000 1 1848 219 211 ASN CA C 57.290 0.000 1 1849 219 211 ASN CB C 38.996 0.000 1 1850 219 211 ASN N N 114.920 0.000 1 1851 219 211 ASN ND2 N 110.195 0.000 1 1852 220 212 GLN H H 7.704 0.000 1 1853 220 212 GLN HA H 4.295 0.000 1 1854 220 212 GLN C C 178.900 0.000 1 1855 220 212 GLN CA C 59.149 0.000 1 1856 220 212 GLN CB C 31.081 0.000 1 1857 220 212 GLN N N 119.358 0.000 1 1858 221 213 LEU H H 8.257 0.000 1 1859 221 213 LEU C C 179.300 0.000 1 1860 221 213 LEU N N 120.856 0.000 1 1861 222 214 LEU H H 7.938 0.000 1 1862 222 214 LEU HA H 3.871 0.000 1 1863 222 214 LEU HB2 H 1.687 0.000 2 1864 222 214 LEU HB3 H 1.687 0.000 2 1865 222 214 LEU HD1 H 0.266 0.000 2 1866 222 214 LEU HD2 H 0.689 0.000 2 1867 222 214 LEU C C 180.300 0.000 1 1868 222 214 LEU CA C 57.784 0.000 1 1869 222 214 LEU CB C 41.364 0.000 1 1870 222 214 LEU CD1 C 25.684 0.000 1 1871 222 214 LEU CD2 C 21.966 0.000 1 1872 222 214 LEU N N 118.214 0.000 1 1873 223 215 GLU H H 7.765 0.000 1 1874 223 215 GLU HA H 4.121 0.000 1 1875 223 215 GLU HB2 H 2.165 0.000 2 1876 223 215 GLU HB3 H 2.165 0.000 2 1877 223 215 GLU HG2 H 2.472 0.000 2 1878 223 215 GLU HG3 H 2.175 0.000 2 1879 223 215 GLU C C 180.100 0.000 1 1880 223 215 GLU CA C 60.124 0.000 1 1881 223 215 GLU CB C 33.120 0.000 1 1882 223 215 GLU CG C 36.805 0.000 1 1883 223 215 GLU N N 117.467 0.000 1 1884 224 216 VAL H H 8.061 0.000 1 1885 224 216 VAL HA H 4.618 0.000 1 1886 224 216 VAL HB H 1.987 0.000 1 1887 224 216 VAL HG1 H 0.776 0.000 2 1888 224 216 VAL HG2 H 0.886 0.000 2 1889 224 216 VAL C C 179.400 0.000 1 1890 224 216 VAL CA C 66.901 0.000 1 1891 224 216 VAL CB C 31.834 0.000 1 1892 224 216 VAL CG1 C 20.964 0.000 1 1893 224 216 VAL CG2 C 23.787 0.000 1 1894 224 216 VAL N N 121.770 0.000 1 1895 226 218 HIS H H 8.366 0.000 1 1896 226 218 HIS HA H 4.699 0.000 1 1897 226 218 HIS HB2 H 2.831 0.000 2 1898 226 218 HIS HB3 H 2.743 0.000 2 1899 226 218 HIS CA C 53.451 0.000 1 1900 226 218 HIS CB C 38.894 0.000 1 1901 226 218 HIS N N 122.733 0.000 1 1902 228 220 TYR HA H 4.581 0.000 1 1903 228 220 TYR HB2 H 2.688 0.000 2 1904 228 220 TYR HB3 H 2.688 0.000 2 1905 228 220 TYR CA C 54.446 0.000 1 1906 228 220 TYR CB C 41.063 0.000 1 1907 229 221 LEU H H 8.067 0.000 1 1908 229 221 LEU HA H 3.791 0.000 1 1909 229 221 LEU HB2 H 1.874 0.000 2 1910 229 221 LEU HB3 H 1.874 0.000 2 1911 229 221 LEU HG H 0.928 0.000 1 1912 229 221 LEU HD1 H 0.037 0.000 2 1913 229 221 LEU HD2 H 0.110 0.000 2 1914 229 221 LEU C C 177.300 0.000 1 1915 229 221 LEU CA C 58.613 0.000 1 1916 229 221 LEU CB C 41.705 0.000 1 1917 229 221 LEU CG C 26.091 0.000 1 1918 229 221 LEU CD1 C 24.425 0.000 1 1919 229 221 LEU CD2 C 23.034 0.000 1 1920 229 221 LEU N N 120.872 0.000 1 1921 230 222 HIS H H 7.316 0.000 1 1922 230 222 HIS HA H 3.987 0.000 1 1923 230 222 HIS HB2 H 2.937 0.000 2 1924 230 222 HIS HB3 H 2.937 0.000 2 1925 230 222 HIS C C 179.400 0.000 1 1926 230 222 HIS CA C 60.884 0.000 1 1927 230 222 HIS CB C 31.124 0.000 1 1928 230 222 HIS N N 113.651 0.000 1 1929 231 223 GLU H H 9.006 0.000 1 1930 231 223 GLU HA H 4.116 0.000 1 1931 231 223 GLU HB2 H 2.067 0.000 2 1932 231 223 GLU HB3 H 2.067 0.000 2 1933 231 223 GLU C C 177.700 0.000 1 1934 231 223 GLU CA C 59.119 0.000 1 1935 231 223 GLU CB C 29.176 0.000 1 1936 231 223 GLU N N 120.578 0.000 1 1937 232 224 ASN H H 7.569 0.000 1 1938 232 224 ASN HA H 5.172 0.000 1 1939 232 224 ASN HB2 H 2.973 0.000 2 1940 232 224 ASN HB3 H 2.973 0.000 2 1941 232 224 ASN C C 174.600 0.000 1 1942 232 224 ASN CA C 52.712 0.000 1 1943 232 224 ASN CB C 38.655 0.000 1 1944 232 224 ASN N N 115.884 0.000 1 1945 233 225 LYS H H 7.015 0.000 1 1946 233 225 LYS HA H 3.700 0.000 1 1947 233 225 LYS C C 177.000 0.000 1 1948 233 225 LYS CA C 60.472 0.000 1 1949 233 225 LYS CB C 33.642 0.000 1 1950 233 225 LYS N N 122.049 0.000 1 1951 234 226 GLU H H 8.600 0.000 1 1952 234 226 GLU HA H 3.822 0.000 1 1953 234 226 GLU HB2 H 2.170 0.000 2 1954 234 226 GLU HB3 H 1.974 0.000 2 1955 234 226 GLU HG2 H 2.177 0.000 2 1956 234 226 GLU HG3 H 2.177 0.000 2 1957 234 226 GLU C C 179.500 0.000 1 1958 234 226 GLU CA C 60.035 0.000 1 1959 234 226 GLU CB C 28.829 0.000 1 1960 234 226 GLU CG C 36.441 0.000 1 1961 234 226 GLU N N 116.904 0.000 1 1962 235 227 GLU H H 7.942 0.000 1 1963 235 227 GLU HA H 4.013 0.000 1 1964 235 227 GLU HB2 H 2.234 0.000 2 1965 235 227 GLU HB3 H 2.329 0.000 2 1966 235 227 GLU HG2 H 2.381 0.000 2 1967 235 227 GLU HG3 H 2.381 0.000 2 1968 235 227 GLU C C 178.700 0.000 1 1969 235 227 GLU CA C 59.237 0.000 1 1970 235 227 GLU CB C 29.391 0.000 1 1971 235 227 GLU CG C 36.647 0.000 1 1972 235 227 GLU N N 119.371 0.000 1 1973 236 228 PHE H H 8.333 0.000 1 1974 236 228 PHE HA H 3.341 0.000 1 1975 236 228 PHE C C 177.900 0.000 1 1976 236 228 PHE CA C 61.924 0.000 1 1977 236 228 PHE CB C 38.700 0.000 1 1978 236 228 PHE N N 120.888 0.000 1 1979 237 229 LEU H H 8.528 0.000 1 1980 237 229 LEU HA H 4.160 0.000 1 1981 237 229 LEU HB2 H 1.819 0.000 2 1982 237 229 LEU HB3 H 1.819 0.000 2 1983 237 229 LEU C C 178.500 0.000 1 1984 237 229 LEU CA C 57.023 0.000 1 1985 237 229 LEU CB C 41.344 0.000 1 1986 237 229 LEU N N 117.482 0.000 1 1987 238 230 LYS H H 7.248 0.000 1 1988 238 230 LYS HA H 3.980 0.000 1 1989 238 230 LYS HB2 H 1.831 0.000 2 1990 238 230 LYS HB3 H 1.831 0.000 2 1991 238 230 LYS HG2 H 1.631 0.000 2 1992 238 230 LYS HG3 H 1.310 0.000 2 1993 238 230 LYS HE2 H 2.892 0.000 2 1994 238 230 LYS HE3 H 2.892 0.000 2 1995 238 230 LYS C C 178.000 0.000 1 1996 238 230 LYS CA C 58.602 0.000 1 1997 238 230 LYS CB C 32.632 0.000 1 1998 238 230 LYS CG C 25.286 0.000 1 1999 238 230 LYS CE C 42.028 0.000 1 2000 238 230 LYS N N 117.709 0.000 1 2001 239 231 LEU H H 7.088 0.000 1 2002 239 231 LEU HA H 3.816 0.000 1 2003 239 231 LEU HD1 H 0.695 0.000 2 2004 239 231 LEU HD2 H 0.570 0.000 2 2005 239 231 LEU C C 177.300 0.000 1 2006 239 231 LEU CA C 55.881 0.000 1 2007 239 231 LEU CD1 C 25.588 0.000 1 2008 239 231 LEU CD2 C 22.200 0.000 1 2009 239 231 LEU N N 118.343 0.000 1 2010 240 232 PHE H H 8.032 0.000 1 2011 240 232 PHE HA H 4.859 0.000 1 2012 240 232 PHE HB2 H 2.723 0.000 2 2013 240 232 PHE HB3 H 2.723 0.000 2 2014 240 232 PHE C C 174.000 0.000 1 2015 240 232 PHE CA C 54.985 0.000 1 2016 240 232 PHE CB C 40.472 0.000 1 2017 240 232 PHE N N 118.510 0.000 1 2018 241 233 SER H H 7.623 0.000 1 2019 241 233 SER C C 174.900 0.000 1 2020 241 233 SER CA C 57.500 0.000 1 2021 241 233 SER CB C 65.480 0.000 1 2022 241 233 SER N N 112.334 0.000 1 2023 242 234 GLU H H 7.623 0.000 1 2024 242 234 GLU HA H 4.028 0.000 1 2025 242 234 GLU HB2 H 2.138 0.000 2 2026 242 234 GLU HB3 H 2.138 0.000 2 2027 242 234 GLU HG2 H 2.354 0.000 2 2028 242 234 GLU HG3 H 2.354 0.000 2 2029 242 234 GLU C C 178.300 0.000 1 2030 242 234 GLU CA C 59.699 0.000 1 2031 242 234 GLU CB C 29.428 0.000 1 2032 242 234 GLU CG C 36.515 0.000 1 2033 242 234 GLU N N 112.334 0.000 1 2034 243 235 LYS H H 8.365 0.000 1 2035 243 235 LYS HA H 4.044 0.000 1 2036 243 235 LYS HB2 H 1.881 0.000 2 2037 243 235 LYS HB3 H 1.881 0.000 2 2038 243 235 LYS C C 179.900 0.000 1 2039 243 235 LYS CA C 59.710 0.000 1 2040 243 235 LYS CB C 32.410 0.000 1 2041 243 235 LYS N N 118.405 0.000 1 2042 244 236 LYS H H 7.797 0.000 1 2043 244 236 LYS C C 177.800 0.000 1 2044 244 236 LYS CA C 58.485 0.000 1 2045 244 236 LYS N N 118.714 0.000 1 2046 245 237 PHE H H 7.916 0.000 1 2047 245 237 PHE HA H 3.202 0.000 1 2048 245 237 PHE HB2 H 2.962 0.000 2 2049 245 237 PHE HB3 H 2.962 0.000 2 2050 245 237 PHE C C 176.300 0.000 1 2051 245 237 PHE CA C 62.631 0.000 1 2052 245 237 PHE CB C 38.360 0.000 1 2053 245 237 PHE N N 121.485 0.000 1 2054 246 238 ILE H H 8.509 0.000 1 2055 246 238 ILE HA H 3.743 0.000 1 2056 246 238 ILE HB H 1.902 0.000 1 2057 246 238 ILE HG12 H 1.952 0.000 2 2058 246 238 ILE HG13 H 1.952 0.000 2 2059 246 238 ILE HG2 H 0.994 0.000 1 2060 246 238 ILE HD1 H 0.944 0.000 1 2061 246 238 ILE C C 178.300 0.000 1 2062 246 238 ILE CA C 64.703 0.000 1 2063 246 238 ILE CB C 38.623 0.000 1 2064 246 238 ILE CG1 C 29.324 0.000 1 2065 246 238 ILE CG2 C 17.070 0.000 1 2066 246 238 ILE CD1 C 13.706 0.000 1 2067 246 238 ILE N N 119.289 0.000 1 2068 247 239 SER H H 7.650 0.000 1 2069 247 239 SER HA H 4.235 0.000 1 2070 247 239 SER HB2 H 4.021 0.000 2 2071 247 239 SER HB3 H 3.986 0.000 2 2072 247 239 SER C C 178.300 0.000 1 2073 247 239 SER CA C 62.079 0.000 1 2074 247 239 SER CB C 63.164 0.000 1 2075 247 239 SER N N 113.507 0.000 1 2076 248 240 LEU H H 7.786 0.000 1 2077 248 240 LEU HA H 4.213 0.000 1 2078 248 240 LEU HB2 H 1.989 0.000 2 2079 248 240 LEU HB3 H 1.989 0.000 2 2080 248 240 LEU HD1 H 0.530 0.000 2 2081 248 240 LEU HD2 H 0.525 0.000 2 2082 248 240 LEU C C 178.100 0.000 1 2083 248 240 LEU CA C 58.076 0.000 1 2084 248 240 LEU CB C 41.996 0.000 1 2085 248 240 LEU CD1 C 25.816 0.000 1 2086 248 240 LEU CD2 C 24.216 0.000 1 2087 248 240 LEU N N 124.169 0.000 1 2088 249 241 ASP H H 8.604 0.000 1 2089 249 241 ASP HA H 4.062 0.000 1 2090 249 241 ASP HB2 H 2.034 0.000 2 2091 249 241 ASP HB3 H 2.034 0.000 2 2092 249 241 ASP C C 179.000 0.000 1 2093 249 241 ASP CA C 57.898 0.000 1 2094 249 241 ASP CB C 41.953 0.000 1 2095 249 241 ASP N N 120.497 0.000 1 2096 250 242 ASP H H 8.773 0.000 1 2097 250 242 ASP HA H 4.379 0.000 1 2098 250 242 ASP HB2 H 2.861 0.000 2 2099 250 242 ASP HB3 H 2.653 0.000 2 2100 250 242 ASP C C 179.400 0.000 1 2101 250 242 ASP CA C 57.496 0.000 1 2102 250 242 ASP CB C 41.028 0.000 1 2103 250 242 ASP N N 119.723 0.000 1 2104 251 243 GLY H H 8.323 0.000 1 2105 251 243 GLY HA2 H 4.092 0.000 2 2106 251 243 GLY HA3 H 3.884 0.000 2 2107 251 243 GLY C C 176.700 0.000 1 2108 251 243 GLY CA C 47.618 0.000 1 2109 251 243 GLY N N 108.062 0.000 1 2110 252 244 TRP H H 9.462 0.000 1 2111 252 244 TRP HA H 3.961 0.000 1 2112 252 244 TRP HB2 H 3.275 0.000 2 2113 252 244 TRP HB3 H 2.589 0.000 2 2114 252 244 TRP C C 178.500 0.000 1 2115 252 244 TRP CA C 63.224 0.000 1 2116 252 244 TRP CB C 30.108 0.000 1 2117 252 244 TRP N N 126.407 0.000 1 2118 253 245 SER H H 8.372 0.000 1 2119 253 245 SER HB2 H 4.121 0.000 2 2120 253 245 SER HB3 H 4.121 0.000 2 2121 253 245 SER C C 177.400 0.000 1 2122 253 245 SER CB C 62.587 0.000 1 2123 253 245 SER N N 114.908 0.000 1 2124 254 246 ARG H H 7.903 0.000 1 2125 254 246 ARG HA H 3.877 0.000 1 2126 254 246 ARG HB2 H 1.771 0.000 2 2127 254 246 ARG HB3 H 1.771 0.000 2 2128 254 246 ARG HD2 H 3.168 0.000 2 2129 254 246 ARG HD3 H 3.068 0.000 2 2130 254 246 ARG C C 177.800 0.000 1 2131 254 246 ARG CA C 59.946 0.000 1 2132 254 246 ARG CB C 29.841 0.000 1 2133 254 246 ARG CD C 42.443 0.000 1 2134 254 246 ARG N N 122.270 0.000 1 2135 255 247 LYS H H 7.588 0.000 1 2136 255 247 LYS C C 179.500 0.000 1 2137 255 247 LYS CA C 58.839 0.000 1 2138 255 247 LYS N N 119.577 0.000 1 2139 256 248 ILE H H 8.325 0.000 1 2140 256 248 ILE HA H 3.312 0.000 1 2141 256 248 ILE HB H 1.769 0.000 1 2142 256 248 ILE HG12 H 1.112 0.000 2 2143 256 248 ILE HG13 H 1.112 0.000 2 2144 256 248 ILE HG2 H 0.723 0.000 1 2145 256 248 ILE HD1 H 0.328 0.000 1 2146 256 248 ILE C C 178.700 0.000 1 2147 256 248 ILE CA C 65.584 0.000 1 2148 256 248 ILE CB C 38.379 0.000 1 2149 256 248 ILE CG1 C 32.012 0.000 1 2150 256 248 ILE CG2 C 18.800 0.000 1 2151 256 248 ILE CD1 C 12.709 0.000 1 2152 256 248 ILE N N 120.840 0.000 1 2153 257 249 LYS H H 7.738 0.000 1 2154 257 249 LYS HA H 4.241 0.000 1 2155 257 249 LYS C C 180.000 0.000 1 2156 257 249 LYS CA C 60.126 0.000 1 2157 257 249 LYS CB C 31.613 0.000 1 2158 257 249 LYS N N 121.726 0.000 1 2159 258 250 ASP H H 8.568 0.000 1 2160 258 250 ASP HA H 4.560 0.000 1 2161 258 250 ASP HB2 H 2.828 0.000 2 2162 258 250 ASP HB3 H 2.828 0.000 2 2163 258 250 ASP C C 179.600 0.000 1 2164 258 250 ASP CA C 57.717 0.000 1 2165 258 250 ASP CB C 38.818 0.000 1 2166 258 250 ASP N N 120.074 0.000 1 2167 259 251 SER H H 8.263 0.000 1 2168 259 251 SER C C 177.500 0.000 1 2169 259 251 SER CA C 60.800 0.000 1 2170 259 251 SER CB C 62.300 0.000 1 2171 259 251 SER N N 118.057 0.000 1 2172 260 252 LYS H H 7.742 0.000 1 2173 260 252 LYS HA H 4.141 0.000 1 2174 260 252 LYS HB2 H 1.932 0.000 2 2175 260 252 LYS HB3 H 1.932 0.000 2 2176 260 252 LYS C C 178.200 0.000 1 2177 260 252 LYS CA C 58.308 0.000 1 2178 260 252 LYS CB C 32.357 0.000 1 2179 260 252 LYS N N 122.279 0.000 1 2180 261 253 ARG H H 7.571 0.000 1 2181 261 253 ARG HA H 4.272 0.000 1 2182 261 253 ARG HD2 H 3.205 0.000 2 2183 261 253 ARG HD3 H 3.157 0.000 2 2184 261 253 ARG C C 176.300 0.000 1 2185 261 253 ARG CA C 56.931 0.000 1 2186 261 253 ARG CD C 43.380 0.000 1 2187 261 253 ARG N N 116.619 0.000 1 2188 262 254 LYS H H 7.689 0.000 1 2189 262 254 LYS HA H 4.104 0.000 1 2190 262 254 LYS C C 175.900 0.000 1 2191 262 254 LYS CA C 57.710 0.000 1 2192 262 254 LYS N N 112.514 0.000 1 2193 263 255 MET H H 7.728 0.000 1 2194 263 255 MET HA H 4.092 0.000 1 2195 263 255 MET HB2 H 2.614 0.000 2 2196 263 255 MET HB3 H 2.614 0.000 2 2197 263 255 MET HE H 2.078 0.000 1 2198 263 255 MET C C 175.200 0.000 1 2199 263 255 MET CA C 56.613 0.000 1 2200 263 255 MET CB C 31.465 0.000 1 2201 263 255 MET CE C 18.134 0.000 1 2202 263 255 MET N N 118.292 0.000 1 2203 264 256 GLN H H 7.269 0.000 1 2204 264 256 GLN HA H 4.217 0.000 1 2205 264 256 GLN HB2 H 2.020 0.000 2 2206 264 256 GLN HB3 H 2.020 0.000 2 2207 264 256 GLN HG2 H 2.172 0.000 2 2208 264 256 GLN HG3 H 2.105 0.000 2 2209 264 256 GLN C C 174.500 0.000 1 2210 264 256 GLN CA C 56.979 0.000 1 2211 264 256 GLN CB C 30.786 0.000 1 2212 264 256 GLN CG C 32.534 0.000 1 2213 264 256 GLN N N 117.232 0.000 1 2214 265 257 ARG H H 8.163 0.000 1 2215 265 257 ARG C C 174.500 0.000 1 2216 265 257 ARG CA C 52.579 0.000 1 2217 265 257 ARG N N 122.858 0.000 1 2218 266 258 TRP H H 8.201 0.000 1 2219 266 258 TRP C C 173.900 0.000 1 2220 266 258 TRP CA C 55.447 0.000 1 2221 266 258 TRP N N 125.832 0.000 1 2222 267 259 GLY H H 8.789 0.000 1 2223 267 259 GLY HA2 H 4.439 0.000 2 2224 267 259 GLY HA3 H 3.070 0.000 2 2225 267 259 GLY C C 169.100 0.000 1 2226 267 259 GLY CA C 44.579 0.000 1 2227 267 259 GLY N N 114.292 0.000 1 2228 268 260 TYR H H 7.750 0.000 1 2229 268 260 TYR HA H 4.594 0.000 1 2230 268 260 TYR HB2 H 2.353 0.000 2 2231 268 260 TYR HB3 H 2.353 0.000 2 2232 268 260 TYR C C 172.300 0.000 1 2233 268 260 TYR CA C 54.936 0.000 1 2234 268 260 TYR CB C 41.313 0.000 1 2235 268 260 TYR N N 123.061 0.000 1 2236 269 261 PHE H H 8.509 0.000 1 2237 269 261 PHE HA H 5.108 0.000 1 2238 269 261 PHE HB2 H 2.980 0.000 2 2239 269 261 PHE HB3 H 2.980 0.000 2 2240 269 261 PHE C C 172.600 0.000 1 2241 269 261 PHE CA C 55.070 0.000 1 2242 269 261 PHE CB C 42.478 0.000 1 2243 269 261 PHE N N 123.894 0.000 1 2244 270 262 LYS H H 8.529 0.000 1 2245 270 262 LYS HA H 5.357 0.000 1 2246 270 262 LYS HB2 H 1.573 0.000 2 2247 270 262 LYS HB3 H 1.573 0.000 2 2248 270 262 LYS C C 174.300 0.000 1 2249 270 262 LYS CA C 54.123 0.000 1 2250 270 262 LYS CB C 36.433 0.000 1 2251 270 262 LYS N N 122.764 0.000 1 2252 271 263 ALA H H 9.150 0.000 1 2253 271 263 ALA HA H 5.063 0.000 1 2254 271 263 ALA HB H 1.273 0.000 1 2255 271 263 ALA C C 175.300 0.000 1 2256 271 263 ALA CA C 50.651 0.000 1 2257 271 263 ALA CB C 24.118 0.000 1 2258 271 263 ALA N N 127.004 0.000 1 2259 272 264 THR H H 8.956 0.000 1 2260 272 264 THR HA H 5.365 0.000 1 2261 272 264 THR HB H 5.052 0.000 1 2262 272 264 THR HG2 H 1.255 0.000 1 2263 272 264 THR C C 174.000 0.000 1 2264 272 264 THR CA C 60.137 0.000 1 2265 272 264 THR CB C 66.127 0.000 1 2266 272 264 THR CG2 C 21.649 0.000 1 2267 272 264 THR N N 110.350 0.000 1 2268 273 265 LYS H H 8.116 0.000 1 2269 273 265 LYS N N 122.686 0.000 1 2270 274 266 ASN H H 8.116 0.000 1 2271 274 266 ASN N N 122.686 0.000 1 stop_ save_