data_18553 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ZirS C-terminal Domain ; _BMRB_accession_number 18553 _BMRB_flat_file_name bmr18553.str _Entry_type original _Submission_date 2012-06-28 _Accession_date 2012-06-28 _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 Prehna Gerd . . 2 Li Yuling . . 3 Stoynov Nikolay . . 4 Okon Mark . . 5 Vukovic Marija . . 6 McIntosh Lawrence P. . 7 Foster Leonard J. . 8 Finlay 'B. Brett' . . 9 Strynadka Natalie C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 753 "13C chemical shifts" 540 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-20 update BMRB 'update entry citation' 2012-08-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'The zinc regulated antivirulence pathway of Salmonella is a multiprotein immunoglobulin adhesion system.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22810234 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Prehna Gerd . . 2 Li Yuling . . 3 Stoynov Nikolay . . 4 Okon Mark . . 5 Vuckovic Marija . . 6 McIntosh Lawrence P. . 7 Foster Leonard J. . 8 Finlay 'B. Brett' . . 9 Strynadka Natalie C.J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 39 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 32324 _Page_last 32337 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ZirS C-terminal Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ZirS C-terminal Domain' $ZirS 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_ZirS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ZirS _Molecular_mass 16105.249 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GPLGSGSKIKLEIYNETDMA SASGYTPVPSVSEFQYIETE TISNTPSPDLTVMSIDKSVL SPGESATITTIVKDIDGNPV NEVHINKTVARENLKGLWDY GPLKKENVPGKYTQVITYRG HSNERIDISFKYAMSFTKEI SIRGRL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 131 GLY 2 132 PRO 3 133 LEU 4 134 GLY 5 135 SER 6 136 GLY 7 137 SER 8 138 LYS 9 139 ILE 10 140 LYS 11 141 LEU 12 142 GLU 13 143 ILE 14 144 TYR 15 145 ASN 16 146 GLU 17 147 THR 18 148 ASP 19 149 MET 20 150 ALA 21 151 SER 22 152 ALA 23 153 SER 24 154 GLY 25 155 TYR 26 156 THR 27 157 PRO 28 158 VAL 29 159 PRO 30 160 SER 31 161 VAL 32 162 SER 33 163 GLU 34 164 PHE 35 165 GLN 36 166 TYR 37 167 ILE 38 168 GLU 39 169 THR 40 170 GLU 41 171 THR 42 172 ILE 43 173 SER 44 174 ASN 45 175 THR 46 176 PRO 47 177 SER 48 178 PRO 49 179 ASP 50 180 LEU 51 181 THR 52 182 VAL 53 183 MET 54 184 SER 55 185 ILE 56 186 ASP 57 187 LYS 58 188 SER 59 189 VAL 60 190 LEU 61 191 SER 62 192 PRO 63 193 GLY 64 194 GLU 65 195 SER 66 196 ALA 67 197 THR 68 198 ILE 69 199 THR 70 200 THR 71 201 ILE 72 202 VAL 73 203 LYS 74 204 ASP 75 205 ILE 76 206 ASP 77 207 GLY 78 208 ASN 79 209 PRO 80 210 VAL 81 211 ASN 82 212 GLU 83 213 VAL 84 214 HIS 85 215 ILE 86 216 ASN 87 217 LYS 88 218 THR 89 219 VAL 90 220 ALA 91 221 ARG 92 222 GLU 93 223 ASN 94 224 LEU 95 225 LYS 96 226 GLY 97 227 LEU 98 228 TRP 99 229 ASP 100 230 TYR 101 231 GLY 102 232 PRO 103 233 LEU 104 234 LYS 105 235 LYS 106 236 GLU 107 237 ASN 108 238 VAL 109 239 PRO 110 240 GLY 111 241 LYS 112 242 TYR 113 243 THR 114 244 GLN 115 245 VAL 116 246 ILE 117 247 THR 118 248 TYR 119 249 ARG 120 250 GLY 121 251 HIS 122 252 SER 123 253 ASN 124 254 GLU 125 255 ARG 126 256 ILE 127 257 ASP 128 258 ILE 129 259 SER 130 260 PHE 131 261 LYS 132 262 TYR 133 263 ALA 134 264 MET 135 265 SER 136 266 PHE 137 267 THR 138 268 LYS 139 269 GLU 140 270 ILE 141 271 SER 142 272 ILE 143 273 ARG 144 274 GLY 145 275 ARG 146 276 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2LV4 "Zirs C-Terminal Domain" 100.00 146 100.00 100.00 3.79e-100 PDB 4EXK "A Chimera Protein Containing Mbp Fused To The C-Terminal Domain Of The Uncharacterized Protein Stm14_2015 From Salmonella Enter" 69.18 487 100.00 100.00 4.19e-62 DBJ BAJ36633 "hypothetical protein STMDT12_C16900 [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" 96.58 274 100.00 100.00 1.14e-94 DBJ BAP07530 "membrane protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 96.58 274 100.00 100.00 1.14e-94 EMBL CBG24675 "putative exported protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" 96.58 276 99.29 99.29 3.50e-93 EMBL CBW17693 "hypothetical exported protein [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" 96.58 276 100.00 100.00 1.20e-94 EMBL CCF89381 "hypothetical protein SS209_03073 [Salmonella enterica subsp. enterica serovar Senftenberg str. SS209]" 96.58 274 98.58 99.29 1.08e-92 EMBL CCR01301 "hypothetical protein SA73_2521 [Salmonella enterica subsp. enterica serovar Agona str. 73.H.09]" 96.58 274 98.58 99.29 2.17e-93 EMBL CCR05077 "hypothetical protein SA72_1641 [Salmonella enterica subsp. enterica serovar Agona str. 72.A.52]" 96.58 274 98.58 99.29 2.17e-93 GB AAL20585 "putative outer membrane or exported protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 96.58 276 100.00 100.00 1.20e-94 GB AAX65569 "putative outer membrane or exported [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" 96.58 276 100.00 100.00 8.38e-95 GB ACH49127 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Agona str. SL483]" 96.58 274 98.58 99.29 2.17e-93 GB ACN46197 "hypothetical protein SPC_2065 [Salmonella enterica subsp. enterica serovar Paratyphi C str. RKS4594]" 96.58 274 99.29 99.29 1.29e-93 GB ACY88485 "hypothetical protein STM14_2015 [Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S]" 96.58 276 100.00 100.00 1.20e-94 REF NP_460626 "hypothetical protein STM1668 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 96.58 276 100.00 100.00 1.20e-94 REF WP_000033763 "hypothetical protein [Salmonella enterica]" 96.58 274 98.58 99.29 2.17e-93 REF WP_000033764 "hypothetical protein [Salmonella enterica]" 96.58 274 98.58 99.29 1.08e-92 REF WP_001242915 "membrane protein [Salmonella enterica]" 96.58 276 100.00 100.00 1.20e-94 REF WP_001517944 "membrane protein [Salmonella enterica]" 96.58 274 99.29 100.00 3.23e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ZirS Enterobacteria 90371 Bacteria . Salmonella typhimurium 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 $ZirS 'recombinant technology' . Escherichia coli . pGEX6P1 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 $ZirS 0.5 mM '[U-100% 13C; U-100% 15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 0.1 mM 'natural abundance' PMSF 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_CCC-TOCSY-NNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _Sample_label $sample_1 save_ save_CT-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name CT-HSQC _Sample_label $sample_1 save_ save_(HB)CB(CGCD)HD_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD_aromatic _Sample_label $sample_1 save_ save_HBCBGCCC-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBGCCC-TOCSY _Sample_label $sample_1 save_ save_HCC-TOCSY-NNH_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 50 mM Tris pH 7.1 50 mM NaCl 0.1 mM PMSF ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.1 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 'liquid anhydrous ammonia' N 15 'methyl protons' ppm 0.00 . 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 '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' HNCACO '3D HCCH-TOCSY' CCC-TOCSY-NNH CT-HSQC (HB)CB(CGCD)HD_aromatic HBCBGCCC-TOCSY HCC-TOCSY-NNH 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 'ZirS C-terminal Domain' _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 1 132 2 PRO HA H 4.467 0 1 2 132 2 PRO HB2 H 2.314 0 2 3 132 2 PRO HB3 H 2.314 0 2 4 132 2 PRO HG2 H 1.982 0 2 5 132 2 PRO HG3 H 1.982 0 2 6 132 2 PRO HD2 H 3.569 0 2 7 132 2 PRO HD3 H 3.569 0 2 8 132 2 PRO C C 177.208 0.258 1 9 132 2 PRO CA C 63.047 0.008 1 10 132 2 PRO CB C 32.424 0.041 1 11 132 2 PRO CG C 27.327 0 1 12 132 2 PRO CD C 49.583 0 1 13 133 3 LEU H H 8.508 0.005 1 14 133 3 LEU HA H 4.36 0 1 15 133 3 LEU HB2 H 1.646 0 2 16 133 3 LEU HB3 H 1.646 0 2 17 133 3 LEU HG H 1.646 0 1 18 133 3 LEU HD1 H 0.911 0 1 19 133 3 LEU HD2 H 0.911 0 1 20 133 3 LEU C C 177.959 0.002 1 21 133 3 LEU CA C 55.337 0.026 1 22 133 3 LEU CB C 42.248 0.037 1 23 133 3 LEU CG C 27.181 0 1 24 133 3 LEU CD1 C 24.804 0 2 25 133 3 LEU CD2 C 23.499 0 2 26 133 3 LEU N N 122.497 0.025 1 27 134 4 GLY H H 8.399 0.003 1 28 134 4 GLY C C 174.17 0 1 29 134 4 GLY CA C 45.272 0 1 30 134 4 GLY N N 110.123 0.104 1 31 135 5 SER HA H 4.441 0 1 32 135 5 SER HB2 H 3.887 0 2 33 135 5 SER HB3 H 3.887 0 2 34 135 5 SER CA C 58.515 0 1 35 135 5 SER CB C 63.898 0.007 1 36 136 6 GLY H H 8.512 0.006 1 37 136 6 GLY CA C 45.383 0 1 38 136 6 GLY N N 111.104 0.068 1 39 138 8 LYS HA H 4.35 0 1 40 138 8 LYS HB2 H 1.838 0 2 41 138 8 LYS HB3 H 1.838 0 2 42 138 8 LYS HG2 H 1.416 0 2 43 138 8 LYS HG3 H 1.416 0 2 44 138 8 LYS HD2 H 1.707 0 2 45 138 8 LYS HD3 H 1.707 0 2 46 138 8 LYS HE2 H 2.967 0 2 47 138 8 LYS CA C 58.026 0 1 48 138 8 LYS CB C 39.032 0 1 49 139 9 ILE H H 8.039 0.01 1 50 139 9 ILE HA H 4.117 0 1 51 139 9 ILE HB H 1.85 0 1 52 139 9 ILE HG2 H 0.866 0 1 53 139 9 ILE CA C 60.974 0.028 1 54 139 9 ILE CB C 38.768 0.06 1 55 139 9 ILE CG1 C 27.319 0 1 56 139 9 ILE CG2 C 17.475 0 1 57 139 9 ILE CD1 C 12.798 0 1 58 139 9 ILE N N 121.957 0.117 1 59 140 10 LYS H H 8.314 0.007 1 60 140 10 LYS HD2 H 1.685 0 2 61 140 10 LYS HD3 H 1.685 0 2 62 140 10 LYS C C 175.612 0 1 63 140 10 LYS CA C 56.004 0 1 64 140 10 LYS CB C 33.207 0 1 65 140 10 LYS N N 126.257 0.109 1 66 141 11 LEU H H 8.238 0.006 1 67 141 11 LEU HA H 4.365 0 1 68 141 11 LEU HB2 H 1.562 0 2 69 141 11 LEU HB3 H 1.562 0 2 70 141 11 LEU HD1 H 0.895 0 1 71 141 11 LEU HD2 H 0.895 0 1 72 141 11 LEU C C 175.154 0 1 73 141 11 LEU CA C 55.208 0 1 74 141 11 LEU CB C 42.603 0 1 75 141 11 LEU N N 124.715 0.165 1 76 142 12 GLU C C 175.234 0 1 77 142 12 GLU CA C 56.233 0 1 78 142 12 GLU CB C 32.871 0 1 79 142 12 GLU CG C 39.058 0 1 80 143 13 ILE H H 8.039 0.004 1 81 143 13 ILE HA H 4.249 0 1 82 143 13 ILE HB H 1.891 0 1 83 143 13 ILE HG2 H 0.924 0 1 84 143 13 ILE HD1 H 0.846 0 1 85 143 13 ILE C C 174.838 0 1 86 143 13 ILE CA C 61.045 0 1 87 143 13 ILE CB C 38.823 0 1 88 143 13 ILE N N 122.027 0.053 1 89 144 14 TYR HA H 4.695 0 1 90 144 14 TYR HB2 H 2.735 0 2 91 144 14 TYR HB3 H 2.735 0 2 92 144 14 TYR HD1 H 7.088 0.01 3 93 144 14 TYR HD2 H 7.098 0 3 94 144 14 TYR HE1 H 6.807 0 3 95 144 14 TYR HE2 H 6.807 0 3 96 144 14 TYR C C 175.145 0 1 97 144 14 TYR CA C 52.974 0 1 98 144 14 TYR CB C 39.031 0 1 99 144 14 TYR CD1 C 133.234 0 3 100 144 14 TYR CD2 C 133.234 0 3 101 144 14 TYR CE1 C 118.252 0 3 102 144 14 TYR CE2 C 118.252 0 3 103 145 15 ASN H H 8.315 0.018 1 104 145 15 ASN HA H 4.913 0 1 105 145 15 ASN HB2 H 2.9 0 2 106 145 15 ASN HB3 H 2.9 0 2 107 145 15 ASN HD21 H 7.57 0 2 108 145 15 ASN HD22 H 6.844 0 2 109 145 15 ASN C C 174.887 0.018 1 110 145 15 ASN CA C 52.913 0.012 1 111 145 15 ASN CB C 39.345 0.049 1 112 145 15 ASN N N 121.524 0.133 1 113 145 15 ASN ND2 N 112.945 0.001 1 114 146 16 GLU H H 8.431 0.017 1 115 146 16 GLU HA H 4.242 0 1 116 146 16 GLU HB2 H 2.089 0 2 117 146 16 GLU HB3 H 1.935 0 2 118 146 16 GLU HG2 H 2.303 0 2 119 146 16 GLU HG3 H 2.303 0 2 120 146 16 GLU C C 176.823 0.009 1 121 146 16 GLU CA C 57.366 0.051 1 122 146 16 GLU CB C 30.124 0.043 1 123 146 16 GLU CG C 36.18 0 1 124 146 16 GLU N N 121.887 0.041 1 125 147 17 THR H H 8.103 0.012 1 126 147 17 THR HA H 4.251 0 1 127 147 17 THR HB H 4.251 0 1 128 147 17 THR HG2 H 1.186 0 1 129 147 17 THR C C 174.485 0.011 1 130 147 17 THR CA C 62.293 0.068 1 131 147 17 THR CB C 69.641 0.054 1 132 147 17 THR CG2 C 21.537 0 1 133 147 17 THR N N 113.925 0.331 1 134 148 18 ASP H H 8.228 0.015 1 135 148 18 ASP HA H 4.587 0 1 136 148 18 ASP HB2 H 2.678 0 2 137 148 18 ASP HB3 H 2.678 0 2 138 148 18 ASP C C 176.564 0.007 1 139 148 18 ASP CA C 54.568 0.006 1 140 148 18 ASP CB C 41.043 0.033 1 141 148 18 ASP N N 122.764 0.06 1 142 149 19 MET H H 8.221 0.007 1 143 149 19 MET HA H 4.386 0 1 144 149 19 MET HB2 H 2.053 0 2 145 149 19 MET HB3 H 2.053 0 2 146 149 19 MET HG2 H 2.645 0 2 147 149 19 MET HG3 H 2.645 0 2 148 149 19 MET C C 176.539 0.005 1 149 149 19 MET CA C 55.785 0 1 150 149 19 MET CB C 32.581 0.006 1 151 149 19 MET N N 120.919 0.075 1 152 150 20 ALA H H 8.219 0.003 1 153 150 20 ALA HA H 4.365 0 1 154 150 20 ALA HB H 1.426 0 1 155 150 20 ALA C C 178.177 0.006 1 156 150 20 ALA CA C 53.052 0.018 1 157 150 20 ALA CB C 19.041 0.06 1 158 150 20 ALA N N 124.306 0.02 1 159 151 21 SER H H 8.08 0.003 1 160 151 21 SER HA H 4.452 0 1 161 151 21 SER HB2 H 3.893 0 2 162 151 21 SER HB3 H 3.893 0 2 163 151 21 SER C C 174.717 0.002 1 164 151 21 SER CA C 58.458 0.03 1 165 151 21 SER CB C 63.751 0.024 1 166 151 21 SER N N 114.338 0.021 1 167 152 22 ALA H H 8.194 0.002 1 168 152 22 ALA HA H 4.379 0 1 169 152 22 ALA HB H 1.403 0 1 170 152 22 ALA C C 177.938 0.005 1 171 152 22 ALA CA C 52.773 0.027 1 172 152 22 ALA CB C 19.154 0.005 1 173 152 22 ALA N N 125.896 0.023 1 174 153 23 SER H H 8.202 0.004 1 175 153 23 SER HA H 4.428 0 1 176 153 23 SER HB2 H 3.846 0 2 177 153 23 SER HB3 H 3.846 0 2 178 153 23 SER C C 175.068 0.007 1 179 153 23 SER CA C 58.647 0.034 1 180 153 23 SER CB C 63.774 0.014 1 181 153 23 SER N N 114.684 0.121 1 182 154 24 GLY H H 8.257 0.006 1 183 154 24 GLY HA2 H 3.909 0.007 2 184 154 24 GLY HA3 H 3.909 0.007 2 185 154 24 GLY C C 173.583 0.005 1 186 154 24 GLY CA C 45.227 0.017 1 187 154 24 GLY N N 110.602 0.018 1 188 155 25 TYR H H 8 0.009 1 189 155 25 TYR HA H 4.64 0 1 190 155 25 TYR HB2 H 2.959 0 2 191 155 25 TYR HB3 H 2.959 0 2 192 155 25 TYR HD1 H 7.098 0 3 193 155 25 TYR HD2 H 7.088 0.01 3 194 155 25 TYR HE1 H 6.807 0 3 195 155 25 TYR HE2 H 6.807 0 3 196 155 25 TYR C C 175.339 0.008 1 197 155 25 TYR CA C 57.791 0.054 1 198 155 25 TYR CB C 39.046 0.039 1 199 155 25 TYR CD1 C 133.234 0 3 200 155 25 TYR CD2 C 133.234 0 3 201 155 25 TYR CE1 C 118.252 0 3 202 155 25 TYR CE2 C 118.252 0 3 203 155 25 TYR N N 120.72 0.12 1 204 156 26 THR H H 8.004 0.007 1 205 156 26 THR HA H 4.573 0 1 206 156 26 THR HB H 4.009 0 1 207 156 26 THR HG2 H 1.769 0 1 208 156 26 THR C C 171.808 0 1 209 156 26 THR CA C 58.986 0 1 210 156 26 THR CB C 70.09 0 1 211 156 26 THR N N 121.237 0.086 1 212 157 27 PRO HA H 4.335 0 1 213 157 27 PRO HB2 H 2.277 0 2 214 157 27 PRO HB3 H 1.87 0 2 215 157 27 PRO HG2 H 1.976 0 2 216 157 27 PRO HG3 H 1.976 0 2 217 157 27 PRO HD2 H 3.624 0 2 218 157 27 PRO HD3 H 3.624 0 2 219 157 27 PRO CA C 62.776 0.047 1 220 157 27 PRO CB C 32.114 0.052 1 221 157 27 PRO CG C 27.083 0 1 222 157 27 PRO CD C 50.638 0 1 223 158 28 VAL H H 8.134 0.004 1 224 158 28 VAL HA H 4.249 0 1 225 158 28 VAL HB H 2.101 0 1 226 158 28 VAL HG1 H 0.953 0 1 227 158 28 VAL HG2 H 0.953 0 1 228 158 28 VAL CA C 59.823 0 1 229 158 28 VAL CB C 32.455 0 1 230 158 28 VAL N N 121.892 0.028 1 231 159 29 PRO HA H 4.401 0 1 232 159 29 PRO HB2 H 2.287 0 2 233 159 29 PRO HB3 H 2.287 0 2 234 159 29 PRO HG2 H 2.031 0 2 235 159 29 PRO HG3 H 1.98 0.052 2 236 159 29 PRO C C 176.806 0.003 1 237 159 29 PRO CA C 63.186 0.046 1 238 159 29 PRO CB C 32.112 0.076 1 239 159 29 PRO CG C 27.548 0 1 240 160 30 SER H H 8.384 0.002 1 241 160 30 SER HA H 4.472 0 1 242 160 30 SER HB2 H 3.863 0 2 243 160 30 SER HB3 H 3.863 0 2 244 160 30 SER C C 174.679 0.008 1 245 160 30 SER CA C 58.115 0 1 246 160 30 SER CB C 64.134 0 1 247 160 30 SER N N 116.636 0.053 1 248 161 31 VAL H H 8.153 0.007 1 249 161 31 VAL HA H 4.234 0 1 250 161 31 VAL HB H 2.057 0 1 251 161 31 VAL HG1 H 0.91 0 1 252 161 31 VAL HG2 H 0.91 0 1 253 161 31 VAL C C 176.143 0.005 1 254 161 31 VAL CA C 62.192 0.295 1 255 161 31 VAL CB C 32.455 0 1 256 161 31 VAL N N 121.575 0.14 1 257 162 32 SER H H 8.311 0.005 1 258 162 32 SER HA H 4.437 0 1 259 162 32 SER HB2 H 3.839 0 2 260 162 32 SER HB3 H 3.839 0 2 261 162 32 SER C C 174.458 0.011 1 262 162 32 SER CA C 58.198 0 1 263 162 32 SER CB C 63.846 0 1 264 162 32 SER N N 119.162 0.163 1 265 163 33 GLU H H 8.36 0.01 1 266 163 33 GLU HA H 4.199 0 1 267 163 33 GLU HB2 H 2.098 0 2 268 163 33 GLU HB3 H 2.098 0 2 269 163 33 GLU C C 176.009 0 1 270 163 33 GLU CA C 56.352 0 1 271 163 33 GLU CB C 32.964 0 1 272 163 33 GLU N N 123.326 0.237 1 273 164 34 PHE HD1 H 7.181 0.001 3 274 164 34 PHE HD2 H 7.18 0 3 275 164 34 PHE HE1 H 6.886 0 3 276 164 34 PHE HE2 H 6.885 0.001 3 277 164 34 PHE HZ H 7.179 0 1 278 164 34 PHE CB C 38.297 0.002 1 279 164 34 PHE CD2 C 133.486 0 3 280 164 34 PHE CE1 C 133.215 0 3 281 164 34 PHE CE2 C 130.624 0 3 282 166 36 TYR HA H 4.521 0 1 283 166 36 TYR HB2 H 2.949 0 2 284 166 36 TYR HB3 H 2.949 0 2 285 166 36 TYR HD1 H 7.098 0 3 286 166 36 TYR HD2 H 7.098 0.001 3 287 166 36 TYR HE1 H 6.807 0 3 288 166 36 TYR HE2 H 6.807 0 3 289 166 36 TYR C C 175.17 0.007 1 290 166 36 TYR CA C 58.131 0 1 291 166 36 TYR CB C 38.776 0.035 1 292 166 36 TYR CD1 C 133.234 0 3 293 166 36 TYR CD2 C 133.234 0 3 294 166 36 TYR CE1 C 118.252 0 3 295 166 36 TYR CE2 C 118.252 0 3 296 167 37 ILE H H 7.962 0.044 1 297 167 37 ILE HA H 4.108 0 1 298 167 37 ILE HB H 1.745 0 1 299 167 37 ILE HG12 H 1.399 0 2 300 167 37 ILE HG13 H 1.091 0 2 301 167 37 ILE HG2 H 0.822 0 1 302 167 37 ILE HD1 H 0.822 0 1 303 167 37 ILE C C 175.519 0.007 1 304 167 37 ILE CA C 60.501 0.026 1 305 167 37 ILE CB C 38.955 0.144 1 306 167 37 ILE CG1 C 27.067 0 1 307 167 37 ILE CG2 C 17.423 0 1 308 167 37 ILE CD1 C 12.78 0 1 309 167 37 ILE N N 123.973 0.062 1 310 168 38 GLU H H 8.464 0.011 1 311 168 38 GLU HA H 4.257 0 1 312 168 38 GLU HB2 H 2.017 0 2 313 168 38 GLU HB3 H 2.017 0 2 314 168 38 GLU HG2 H 2.28 0 2 315 168 38 GLU HG3 H 2.28 0 2 316 168 38 GLU C C 176.429 0.006 1 317 168 38 GLU CA C 56.745 0.027 1 318 168 38 GLU CB C 30.221 0.084 1 319 168 38 GLU CG C 36.181 0 1 320 168 38 GLU N N 125.753 0.074 1 321 169 39 THR H H 8.112 0.018 1 322 169 39 THR HA H 4.331 0 1 323 169 39 THR HB H 4.21 0 1 324 169 39 THR HG2 H 1.18 0 1 325 169 39 THR C C 174.394 0.005 1 326 169 39 THR CA C 61.793 0 1 327 169 39 THR CB C 69.776 0 1 328 169 39 THR CG2 C 21.572 0 1 329 169 39 THR N N 115.512 0.153 1 330 170 40 GLU H H 8.443 0.016 1 331 170 40 GLU HA H 4.362 0 1 332 170 40 GLU HB2 H 2.026 0 2 333 170 40 GLU HB3 H 1.967 0 2 334 170 40 GLU HG2 H 2.225 0 2 335 170 40 GLU HG3 H 2.225 0 2 336 170 40 GLU C C 176.408 0.004 1 337 170 40 GLU CA C 56.577 0.028 1 338 170 40 GLU CB C 30.486 0.109 1 339 170 40 GLU CG C 36.256 0 1 340 170 40 GLU N N 123.48 0.075 1 341 171 41 THR H H 8.28 0.009 1 342 171 41 THR HA H 4.327 0 1 343 171 41 THR HB H 4.138 0 1 344 171 41 THR HG2 H 1.176 0 1 345 171 41 THR C C 174.281 0.006 1 346 171 41 THR CA C 61.913 0 1 347 171 41 THR CB C 69.775 0.042 1 348 171 41 THR CG2 C 21.645 0 1 349 171 41 THR N N 116.706 0.076 1 350 172 42 ILE H H 8.26 0.004 1 351 172 42 ILE HA H 4.252 0 1 352 172 42 ILE HB H 1.886 0 1 353 172 42 ILE HG12 H 1.479 0 2 354 172 42 ILE HG13 H 1.174 0 2 355 172 42 ILE HG2 H 0.905 0 1 356 172 42 ILE HD1 H 0.825 0 1 357 172 42 ILE C C 176.202 0.004 1 358 172 42 ILE CA C 61.055 0.094 1 359 172 42 ILE CB C 38.808 0.023 1 360 172 42 ILE CG1 C 27.189 0 1 361 172 42 ILE CG2 C 17.616 0 1 362 172 42 ILE CD1 C 12.927 0 1 363 172 42 ILE N N 124.251 0.041 1 364 173 43 SER H H 8.455 0.002 1 365 173 43 SER HA H 4.542 0 1 366 173 43 SER HB2 H 3.879 0 2 367 173 43 SER HB3 H 3.879 0 2 368 173 43 SER C C 173.845 0 1 369 173 43 SER CA C 58.276 0 1 370 173 43 SER CB C 64.026 0.005 1 371 173 43 SER N N 120.572 0.037 1 372 174 44 ASN H H 8.644 0.007 1 373 174 44 ASN HA H 4.906 0 1 374 174 44 ASN HB2 H 2.885 0 2 375 174 44 ASN HB3 H 2.885 0 2 376 174 44 ASN HD21 H 7.88 0 2 377 174 44 ASN HD22 H 6.89 0 2 378 174 44 ASN C C 140.671 58.646 1 379 174 44 ASN CA C 52.791 0.011 1 380 174 44 ASN CB C 39.132 0.038 1 381 174 44 ASN N N 121.193 0.046 1 382 174 44 ASN ND2 N 112.281 0.003 1 383 175 45 THR H H 8.291 0.012 1 384 175 45 THR HA H 4.563 0 1 385 175 45 THR HB H 4.116 0 1 386 175 45 THR HG2 H 1.359 0 1 387 175 45 THR C C 172.547 0 1 388 175 45 THR CA C 60.283 0 1 389 175 45 THR CB C 69.916 0 1 390 175 45 THR N N 116.446 0.051 1 391 176 46 PRO HA H 4.199 0 1 392 176 46 PRO HB2 H 2.036 0 2 393 176 46 PRO HB3 H 2.036 0 2 394 176 46 PRO HG2 H 1.82 0 2 395 176 46 PRO HG3 H 1.82 0 2 396 176 46 PRO C C 174.865 0.005 1 397 176 46 PRO CA C 62.776 0.049 1 398 176 46 PRO CB C 31.924 0.127 1 399 176 46 PRO CG C 27.95 0 1 400 177 47 SER H H 9.343 0.003 1 401 177 47 SER HA H 4.936 0 1 402 177 47 SER HB2 H 3.671 0 2 403 177 47 SER HB3 H 3.477 0 2 404 177 47 SER C C 174.628 0 1 405 177 47 SER CA C 53.384 0 1 406 177 47 SER CB C 64.704 0 1 407 177 47 SER N N 116.033 0.078 1 408 178 48 PRO HB2 H 1.77 0 2 409 178 48 PRO HB3 H 1.584 0 2 410 178 48 PRO HG2 H 1.112 0 2 411 178 48 PRO HG3 H 1.584 0 2 412 178 48 PRO HD3 H 2.682 0 2 413 178 48 PRO C C 176.562 0.002 1 414 178 48 PRO CA C 63.564 0.064 1 415 178 48 PRO CB C 31.017 0.013 1 416 178 48 PRO CG C 25.968 0 1 417 179 49 ASP H H 7.281 0.006 1 418 179 49 ASP HA H 4.325 0 1 419 179 49 ASP HB2 H 2.551 0 2 420 179 49 ASP HB3 H 2.241 0 2 421 179 49 ASP C C 177.233 0.003 1 422 179 49 ASP CA C 56.284 0 1 423 179 49 ASP CB C 40.994 0.015 1 424 179 49 ASP N N 115.603 0.041 1 425 180 50 LEU H H 7.167 0.005 1 426 180 50 LEU HA H 4.394 0 1 427 180 50 LEU HB2 H 1.517 0 2 428 180 50 LEU HB3 H 1.517 0 2 429 180 50 LEU HG H 1.353 0 1 430 180 50 LEU HD1 H 0.761 0 1 431 180 50 LEU HD2 H 0.877 0 1 432 180 50 LEU C C 177.187 0.007 1 433 180 50 LEU CA C 53.967 0.055 1 434 180 50 LEU CB C 43.393 0.001 1 435 180 50 LEU CG C 25.179 0 1 436 180 50 LEU CD1 C 22.631 0 2 437 180 50 LEU N N 116.01 0.044 1 438 181 51 THR H H 6.905 0.001 1 439 181 51 THR HA H 4.634 0 1 440 181 51 THR HB H 3.814 0 1 441 181 51 THR HG2 H 0.855 0 1 442 181 51 THR C C 173.226 0.005 1 443 181 51 THR CA C 64.506 0 1 444 181 51 THR CB C 69.989 0 1 445 181 51 THR CG2 C 20.497 0 1 446 181 51 THR N N 118.914 0.054 1 447 182 52 VAL H H 8.289 0.004 1 448 182 52 VAL HA H 4.619 0 1 449 182 52 VAL HB H 1.981 0 1 450 182 52 VAL HG1 H 0.916 0 1 451 182 52 VAL HG2 H 0.986 0 1 452 182 52 VAL C C 175.632 0.008 1 453 182 52 VAL CA C 59.709 0.015 1 454 182 52 VAL CB C 35.95 0.038 1 455 182 52 VAL CG1 C 21.064 0 2 456 182 52 VAL CG2 C 20.145 0 2 457 182 52 VAL N N 122.522 0.059 1 458 183 53 MET H H 9.171 0.003 1 459 183 53 MET HA H 5.014 0 1 460 183 53 MET HB2 H 1.862 0 2 461 183 53 MET HB3 H 1.862 0 2 462 183 53 MET HG2 H 1.994 0 2 463 183 53 MET HG3 H 1.994 0 2 464 183 53 MET C C 172.889 0.009 1 465 183 53 MET CA C 56.133 0.028 1 466 183 53 MET CB C 35.355 0.056 1 467 183 53 MET CG C 32.47 0 1 468 183 53 MET N N 130.814 0.046 1 469 184 54 SER H H 9.369 0.003 1 470 184 54 SER HA H 4.862 0 1 471 184 54 SER HB2 H 3.902 0 2 472 184 54 SER HB3 H 3.705 0 2 473 184 54 SER C C 170.836 0.008 1 474 184 54 SER CA C 56.832 0 1 475 184 54 SER CB C 66.258 0.01 1 476 184 54 SER N N 122.352 0.046 1 477 185 55 ILE H H 8.549 0.005 1 478 185 55 ILE HA H 5.287 0 1 479 185 55 ILE HB H 1.534 0 1 480 185 55 ILE HG12 H 1.534 0 2 481 185 55 ILE HG13 H 1.534 0 2 482 185 55 ILE HG2 H 0.855 0 1 483 185 55 ILE HD1 H 0.855 0 1 484 185 55 ILE C C 173.915 0.003 1 485 185 55 ILE CA C 58.797 0.03 1 486 185 55 ILE CB C 43.173 0.065 1 487 185 55 ILE CG1 C 28.661 0 1 488 185 55 ILE CG2 C 15.868 0 1 489 185 55 ILE N N 118.963 0.034 1 490 186 56 ASP H H 8.451 0.005 1 491 186 56 ASP HA H 4.455 0 1 492 186 56 ASP HB2 H 2.852 0 2 493 186 56 ASP HB3 H 2.852 0 2 494 186 56 ASP C C 176.532 0.013 1 495 186 56 ASP CA C 49.268 9.073 1 496 186 56 ASP CB C 39.549 0.05 1 497 186 56 ASP N N 124.973 0.079 1 498 187 57 LYS H H 7.709 0.006 1 499 187 57 LYS HA H 4.609 0 1 500 187 57 LYS HB2 H 1.603 0 2 501 187 57 LYS HB3 H 1.906 0 2 502 187 57 LYS HG2 H 1.384 0 2 503 187 57 LYS HG3 H 1.384 0 2 504 187 57 LYS HD2 H 1.766 0 2 505 187 57 LYS HD3 H 1.682 0 2 506 187 57 LYS HE2 H 3.09 0 2 507 187 57 LYS HE3 H 3.09 0 2 508 187 57 LYS C C 173.437 0.006 1 509 187 57 LYS CA C 55.745 0 1 510 187 57 LYS CB C 36.383 0 1 511 187 57 LYS CG C 24.823 0 1 512 187 57 LYS N N 122.691 0.037 1 513 188 58 SER H H 8.408 0.003 1 514 188 58 SER HA H 4.656 0 1 515 188 58 SER HB2 H 4.137 0 2 516 188 58 SER HB3 H 3.821 0 2 517 188 58 SER C C 174.067 0.012 1 518 188 58 SER CA C 58.513 0 1 519 188 58 SER CB C 64.523 0.004 1 520 188 58 SER N N 112.667 0.058 1 521 189 59 VAL H H 7.489 0.002 1 522 189 59 VAL HA H 5.152 0 1 523 189 59 VAL HB H 1.897 0 1 524 189 59 VAL HG1 H 0.857 0 1 525 189 59 VAL HG2 H 0.857 0 1 526 189 59 VAL C C 174.396 0.003 1 527 189 59 VAL CA C 60.674 0.027 1 528 189 59 VAL CB C 34.383 0.004 1 529 189 59 VAL CG1 C 21.242 0 2 530 189 59 VAL CG2 C 20.727 0 2 531 189 59 VAL N N 123.057 0.034 1 532 190 60 LEU H H 8.855 0.003 1 533 190 60 LEU HA H 4.904 0 1 534 190 60 LEU HB2 H 1.387 0 2 535 190 60 LEU HB3 H 1.727 0 2 536 190 60 LEU HG H 1.084 0 1 537 190 60 LEU HD1 H 0.823 0 1 538 190 60 LEU HD2 H 0.823 0 1 539 190 60 LEU C C 174.957 0.017 1 540 190 60 LEU CA C 53.136 0.047 1 541 190 60 LEU CB C 46.306 0.049 1 542 190 60 LEU CG C 26.393 0 1 543 190 60 LEU CD2 C 23.789 0 2 544 190 60 LEU N N 126.295 0.041 1 545 191 61 SER H H 8.692 0.003 1 546 191 61 SER HA H 5.632 0 1 547 191 61 SER HB2 H 3.738 0 2 548 191 61 SER HB3 H 4.038 0 2 549 191 61 SER C C 172.41 0 1 550 191 61 SER CA C 56.778 0 1 551 191 61 SER CB C 62.61 0 1 552 191 61 SER N N 118.47 0.058 1 553 192 62 PRO HB2 H 1.796 0 2 554 192 62 PRO HB3 H 1.796 0 2 555 192 62 PRO HG2 H 1.597 0 2 556 192 62 PRO HG3 H 1.597 0 2 557 192 62 PRO HD2 H 3.488 0 2 558 192 62 PRO HD3 H 3.488 0 2 559 192 62 PRO C C 177.583 0 1 560 192 62 PRO CA C 65.145 0.159 1 561 192 62 PRO CB C 31.075 0.015 1 562 192 62 PRO CG C 29.358 0 1 563 192 62 PRO CD C 50.127 0 1 564 193 63 GLY H H 9.461 0.005 1 565 193 63 GLY HA2 H 3.391 0 2 566 193 63 GLY HA3 H 4.283 0 2 567 193 63 GLY C C 173.815 0.007 1 568 193 63 GLY CA C 44.755 0.027 1 569 193 63 GLY N N 114.062 0.043 1 570 194 64 GLU H H 8.409 0.002 1 571 194 64 GLU HA H 4.489 0 1 572 194 64 GLU HB2 H 2.352 0 2 573 194 64 GLU HB3 H 2.352 0 2 574 194 64 GLU HG2 H 2.403 0 2 575 194 64 GLU HG3 H 2.274 0 2 576 194 64 GLU C C 174.472 0.009 1 577 194 64 GLU CA C 56.349 0.013 1 578 194 64 GLU CB C 33.03 0.034 1 579 194 64 GLU CG C 37.59 0 1 580 194 64 GLU N N 122.58 0.078 1 581 195 65 SER H H 8.315 0.004 1 582 195 65 SER HA H 5.83 0 1 583 195 65 SER HB2 H 3.791 0 2 584 195 65 SER HB3 H 3.567 0 2 585 195 65 SER C C 172.763 0.008 1 586 195 65 SER CA C 56.993 0.101 1 587 195 65 SER CB C 66.505 0.062 1 588 195 65 SER N N 114.659 0.051 1 589 196 66 ALA H H 9.541 0.003 1 590 196 66 ALA HA H 5.045 0 1 591 196 66 ALA HB H 1.606 0 1 592 196 66 ALA C C 175.83 0.016 1 593 196 66 ALA CA C 50.158 0.026 1 594 196 66 ALA CB C 24.343 0.024 1 595 196 66 ALA N N 126.188 0.041 1 596 197 67 THR H H 9.978 0.004 1 597 197 67 THR HA H 4.949 0 1 598 197 67 THR HB H 3.813 0 1 599 197 67 THR HG2 H 1.025 0 1 600 197 67 THR C C 175.629 0.006 1 601 197 67 THR CA C 62.385 0 1 602 197 67 THR CB C 70.604 0.152 1 603 197 67 THR CG2 C 20.784 0 1 604 197 67 THR N N 117.792 0.043 1 605 198 68 ILE H H 9.769 0.004 1 606 198 68 ILE HA H 4.71 0 1 607 198 68 ILE HB H 1.927 0 1 608 198 68 ILE HG12 H 1.77 0 2 609 198 68 ILE HG13 H 1.77 0 2 610 198 68 ILE HG2 H 0.618 0 1 611 198 68 ILE HD1 H 0.618 0 1 612 198 68 ILE C C 175.77 0.007 1 613 198 68 ILE CA C 61.023 0.045 1 614 198 68 ILE CB C 39.854 0 1 615 198 68 ILE CG2 C 18.11 0 1 616 198 68 ILE CD1 C 14.544 0 1 617 198 68 ILE N N 132.175 0.061 1 618 199 69 THR H H 8.953 0.004 1 619 199 69 THR HA H 5.04 0 1 620 199 69 THR HB H 3.755 0 1 621 199 69 THR HG2 H 1.108 0 1 622 199 69 THR C C 173.989 0.006 1 623 199 69 THR CA C 61.885 0.115 1 624 199 69 THR CB C 70.642 0.031 1 625 199 69 THR CG2 C 21.976 0 1 626 199 69 THR N N 123.092 0.083 1 627 200 70 THR H H 9.49 0.002 1 628 200 70 THR HA H 5.787 0 1 629 200 70 THR HB H 4.132 0 1 630 200 70 THR HG2 H 1.484 0 1 631 200 70 THR C C 170.483 0.004 1 632 200 70 THR CA C 57.658 0 1 633 200 70 THR CB C 71.498 0 1 634 200 70 THR CG2 C 19.616 0 1 635 200 70 THR N N 120.789 0.05 1 636 201 71 ILE H H 7.86 0.002 1 637 201 71 ILE HA H 5.112 0 1 638 201 71 ILE HB H 1.761 0 1 639 201 71 ILE HG12 H 1.502 0 2 640 201 71 ILE HG13 H 1.502 0 2 641 201 71 ILE HG2 H 0.845 0 1 642 201 71 ILE HD1 H 0.845 0 1 643 201 71 ILE C C 175.202 0.007 1 644 201 71 ILE CA C 60.03 0.033 1 645 201 71 ILE CB C 39.487 0.018 1 646 201 71 ILE CG1 C 28.034 0 1 647 201 71 ILE CG2 C 17.97 0 1 648 201 71 ILE CD1 C 12.896 0 1 649 201 71 ILE N N 128.302 0.043 1 650 202 72 VAL H H 9.604 0.005 1 651 202 72 VAL HA H 4.342 0 1 652 202 72 VAL HB H 2.42 0 1 653 202 72 VAL HG1 H 1.005 0 1 654 202 72 VAL HG2 H 1.236 0 1 655 202 72 VAL C C 175.288 0.014 1 656 202 72 VAL CA C 52.105 14.276 1 657 202 72 VAL CB C 31.913 0 1 658 202 72 VAL CG1 C 22.63 0 2 659 202 72 VAL CG2 C 21.955 0 2 660 202 72 VAL N N 130.055 0.05 1 661 203 73 LYS H H 7.679 0.005 1 662 203 73 LYS HA H 5.207 0 1 663 203 73 LYS HB2 H 1.281 0 2 664 203 73 LYS HB3 H 1.281 0 2 665 203 73 LYS HG2 H 0.894 0 2 666 203 73 LYS HG3 H 0.894 0 2 667 203 73 LYS HD2 H 1.521 0 2 668 203 73 LYS HD3 H 1.521 0 2 669 203 73 LYS C C 175.341 0.015 1 670 203 73 LYS CA C 54.069 0.058 1 671 203 73 LYS CB C 39.411 0.14 1 672 203 73 LYS CG C 26.114 0 1 673 203 73 LYS N N 125.762 0.082 1 674 204 74 ASP H H 8.726 0.002 1 675 204 74 ASP HA H 4.694 0 1 676 204 74 ASP HB2 H 3.32 0 2 677 204 74 ASP HB3 H 2.353 0 2 678 204 74 ASP C C 177.728 0.009 1 679 204 74 ASP CA C 52.458 0.011 1 680 204 74 ASP CB C 42.522 0.058 1 681 204 74 ASP N N 120.971 0.038 1 682 205 75 ILE H H 8.048 0.007 1 683 205 75 ILE HA H 3.916 0 1 684 205 75 ILE HB H 1.949 0 1 685 205 75 ILE HG12 H 1.278 0 2 686 205 75 ILE HG13 H 1.278 0 2 687 205 75 ILE HG2 H 0.923 0 1 688 205 75 ILE HD1 H 0.923 0 1 689 205 75 ILE C C 175.408 0.009 1 690 205 75 ILE CA C 63.431 0.071 1 691 205 75 ILE CB C 38.581 0.096 1 692 205 75 ILE CG2 C 17.363 0 1 693 205 75 ILE CD1 C 14.163 0 1 694 205 75 ILE N N 114.141 0.032 1 695 206 76 ASP H H 7.841 0.005 1 696 206 76 ASP HA H 4.793 0 1 697 206 76 ASP HB2 H 2.827 0 2 698 206 76 ASP HB3 H 2.603 0 2 699 206 76 ASP C C 176.332 0.005 1 700 206 76 ASP CA C 54.341 0 1 701 206 76 ASP CB C 42.147 0.063 1 702 206 76 ASP N N 120.008 0.079 1 703 207 77 GLY H H 8.341 0.003 1 704 207 77 GLY HA2 H 4.246 0 2 705 207 77 GLY HA3 H 3.379 0 2 706 207 77 GLY C C 173.824 0 1 707 207 77 GLY CA C 45.42 0 1 708 207 77 GLY N N 108.411 0.021 1 709 209 79 PRO HA H 4.776 0 1 710 209 79 PRO HB2 H 1.965 0 2 711 209 79 PRO HB3 H 1.965 0 2 712 209 79 PRO HG2 H 1.568 0 2 713 209 79 PRO HG3 H 1.568 0 2 714 209 79 PRO CA C 62.61 0 1 715 209 79 PRO CB C 31.999 0 1 716 210 80 VAL H H 7.889 0.006 1 717 210 80 VAL HA H 4.174 0 1 718 210 80 VAL HB H 1.77 0 1 719 210 80 VAL HG1 H 0.867 0 1 720 210 80 VAL HG2 H 0.689 0 1 721 210 80 VAL CA C 61.108 0 1 722 210 80 VAL CB C 32.262 0 1 723 210 80 VAL N N 123.14 0.043 1 724 211 81 ASN HA H 4.696 0 1 725 211 81 ASN HB2 H 2.764 0 2 726 211 81 ASN HB3 H 2.879 0 2 727 211 81 ASN HD21 H 7.669 0 2 728 211 81 ASN HD22 H 6.801 0 2 729 211 81 ASN C C 175.038 0.008 1 730 211 81 ASN CA C 54.986 0 1 731 211 81 ASN CB C 39.832 0.034 1 732 211 81 ASN ND2 N 113.436 0.002 1 733 212 82 GLU H H 7.714 0.007 1 734 212 82 GLU HA H 4.558 0 1 735 212 82 GLU HB2 H 1.966 0 2 736 212 82 GLU HB3 H 1.966 0 2 737 212 82 GLU HG2 H 2.154 0 2 738 212 82 GLU HG3 H 2.154 0 2 739 212 82 GLU C C 173.898 0.008 1 740 212 82 GLU CA C 55.722 0.046 1 741 212 82 GLU CB C 30.837 0.112 1 742 212 82 GLU CG C 35.877 0 1 743 212 82 GLU N N 117.74 0.023 1 744 213 83 VAL H H 7.871 0.003 1 745 213 83 VAL HA H 4.237 0 1 746 213 83 VAL HB H 2.042 0 1 747 213 83 VAL HG1 H 0.96 0 1 748 213 83 VAL HG2 H 0.759 0 1 749 213 83 VAL C C 172.13 0.017 1 750 213 83 VAL CA C 59.992 0.032 1 751 213 83 VAL CB C 33.835 0.044 1 752 213 83 VAL CG1 C 21.915 0 2 753 213 83 VAL CG2 C 19.388 0 2 754 213 83 VAL N N 121.891 0.027 1 755 214 84 HIS H H 8.703 0.005 1 756 214 84 HIS HA H 4.404 0 1 757 214 84 HIS HB2 H 2.923 0 2 758 214 84 HIS HB3 H 2.923 0 2 759 214 84 HIS HD2 H 6.959 0 1 760 214 84 HIS HE1 H 7.715 0 1 761 214 84 HIS C C 174.21 0.193 1 762 214 84 HIS CA C 56.646 0 1 763 214 84 HIS CB C 30.835 0.072 1 764 214 84 HIS CD2 C 119.206 0 1 765 214 84 HIS CE1 C 137.932 0 1 766 214 84 HIS N N 127.371 0.073 1 767 215 85 ILE H H 7.747 0.013 1 768 215 85 ILE HA H 4.37 0 1 769 215 85 ILE HB H 0.794 0 1 770 215 85 ILE HG12 H 0.97 0 2 771 215 85 ILE HG13 H 0.006 0 2 772 215 85 ILE HG2 H -0.509 0 1 773 215 85 ILE HD1 H -0.187 0 1 774 215 85 ILE C C 174.526 0.017 1 775 215 85 ILE CA C 59.742 0.018 1 776 215 85 ILE CB C 39.914 0.018 1 777 215 85 ILE CG2 C 16.373 0 1 778 215 85 ILE CD1 C 12.65 0 1 779 215 85 ILE N N 127.525 0.044 1 780 216 86 ASN H H 8.3 0.005 1 781 216 86 ASN HA H 4.822 0 1 782 216 86 ASN HB2 H 2.652 0 2 783 216 86 ASN HB3 H 2.421 0 2 784 216 86 ASN HD21 H 6.841 0 2 785 216 86 ASN HD22 H 7.476 0 2 786 216 86 ASN C C 173.745 0.007 1 787 216 86 ASN CA C 51.598 0 1 788 216 86 ASN CB C 41.931 0.011 1 789 216 86 ASN N N 125.009 0.042 1 790 216 86 ASN ND2 N 112.366 0.009 1 791 217 87 LYS H H 8.673 0.009 1 792 217 87 LYS HA H 5.58 0 1 793 217 87 LYS HB2 H 1.667 0 2 794 217 87 LYS HB3 H 1.495 0 2 795 217 87 LYS HG2 H 1.154 0 2 796 217 87 LYS HG3 H 1.154 0 2 797 217 87 LYS HD2 H 1.338 0 2 798 217 87 LYS HD3 H 1.338 0 2 799 217 87 LYS HE2 H 2.72 0 2 800 217 87 LYS HE3 H 2.72 0 2 801 217 87 LYS C C 175.367 0.005 1 802 217 87 LYS CA C 54.362 0.04 1 803 217 87 LYS CB C 34.761 0.011 1 804 217 87 LYS CG C 23.279 0 1 805 217 87 LYS CD C 28.547 0 1 806 217 87 LYS CE C 41.685 0 1 807 217 87 LYS N N 124.728 0.051 1 808 218 88 THR H H 8.978 0.002 1 809 218 88 THR HA H 4.542 0 1 810 218 88 THR HB H 4.006 0 1 811 218 88 THR HG2 H 1.076 0 1 812 218 88 THR C C 172.367 0.005 1 813 218 88 THR CA C 61.201 0 1 814 218 88 THR CB C 71.732 0 1 815 218 88 THR CG2 C 21.677 0 1 816 218 88 THR N N 118.236 0.071 1 817 219 89 VAL H H 8.485 0.009 1 818 219 89 VAL HA H 4.583 0 1 819 219 89 VAL HB H 1.707 0 1 820 219 89 VAL HG1 H 0.552 0 1 821 219 89 VAL HG2 H 0.422 0 1 822 219 89 VAL C C 174.754 0.006 1 823 219 89 VAL CA C 61.118 0.026 1 824 219 89 VAL CB C 34.145 0.01 1 825 219 89 VAL CG1 C 21.315 0 2 826 219 89 VAL CG2 C 20.367 0 2 827 219 89 VAL N N 123.469 0.068 1 828 220 90 ALA H H 9.213 0.002 1 829 220 90 ALA HA H 4.721 0 1 830 220 90 ALA HB H 1.406 0 1 831 220 90 ALA C C 176.409 0.008 1 832 220 90 ALA CA C 50.71 0.066 1 833 220 90 ALA CB C 20.223 0.081 1 834 220 90 ALA N N 132.545 0.046 1 835 221 91 ARG H H 8.587 0.006 1 836 221 91 ARG HA H 4.51 0 1 837 221 91 ARG HB2 H 1.738 0 2 838 221 91 ARG HB3 H 1.738 0 2 839 221 91 ARG C C 176.107 0.006 1 840 221 91 ARG CA C 53.614 0.092 1 841 221 91 ARG CB C 30.866 0.009 1 842 221 91 ARG N N 121.55 0.047 1 843 222 92 GLU H H 8.087 0.004 1 844 222 92 GLU HA H 4.154 0 1 845 222 92 GLU HB2 H 2.433 0 2 846 222 92 GLU HB3 H 2.433 0 2 847 222 92 GLU HG2 H 2.178 0 2 848 222 92 GLU HG3 H 2.178 0 2 849 222 92 GLU C C 177.192 0.001 1 850 222 92 GLU CA C 59.108 0.101 1 851 222 92 GLU CB C 32.065 0 1 852 222 92 GLU CG C 35.413 0 1 853 222 92 GLU N N 124.064 0.075 1 854 223 93 ASN H H 8.815 0.005 1 855 223 93 ASN HA H 4.906 0 1 856 223 93 ASN HB2 H 2.722 0 2 857 223 93 ASN HB3 H 2.722 0 2 858 223 93 ASN C C 175.166 0 1 859 223 93 ASN CA C 53.842 0 1 860 223 93 ASN CB C 40.739 0 1 861 223 93 ASN N N 110.021 0.063 1 862 224 94 LEU HA H 4.031 0 1 863 224 94 LEU HB2 H 2.147 0 2 864 224 94 LEU HB3 H 1.896 0 2 865 224 94 LEU HG H 1.543 0 1 866 224 94 LEU HD1 H 0.91 0 1 867 224 94 LEU HD2 H 0.91 0 1 868 224 94 LEU C C 177.662 0 1 869 224 94 LEU CA C 57.988 0 1 870 224 94 LEU CB C 39.735 0.061 1 871 224 94 LEU CD1 C 25.157 0 2 872 224 94 LEU CD2 C 25.157 0 2 873 225 95 LYS H H 9.247 0.005 1 874 225 95 LYS HA H 4.487 0 1 875 225 95 LYS HB2 H 1.862 0 2 876 225 95 LYS HB3 H 1.631 0 2 877 225 95 LYS HG2 H 1.357 0 2 878 225 95 LYS HG3 H 1.357 0 2 879 225 95 LYS HD2 H 1.631 0 2 880 225 95 LYS HD3 H 1.518 0 2 881 225 95 LYS C C 178.427 0.022 1 882 225 95 LYS CA C 56.716 0.012 1 883 225 95 LYS CB C 34.08 0.004 1 884 225 95 LYS N N 118.859 0.039 1 885 226 96 GLY H H 7.817 0.01 1 886 226 96 GLY HA2 H 4.42 0 2 887 226 96 GLY HA3 H 3.917 0 2 888 226 96 GLY C C 171.932 0.008 1 889 226 96 GLY CA C 45.146 0.065 1 890 226 96 GLY N N 107.299 0.093 1 891 227 97 LEU H H 7.24 0.006 1 892 227 97 LEU HA H 4.74 0 1 893 227 97 LEU HB2 H 0.948 0 2 894 227 97 LEU HB3 H 1.184 0 2 895 227 97 LEU HG H 0.796 0 1 896 227 97 LEU HD1 H 0.63 0 1 897 227 97 LEU HD2 H 0.63 0 1 898 227 97 LEU C C 174.464 0.011 1 899 227 97 LEU CA C 53.356 0.032 1 900 227 97 LEU CB C 43.875 0.03 1 901 227 97 LEU CD1 C 24.403 0 2 902 227 97 LEU N N 121.152 0.021 1 903 228 98 TRP H H 8.239 0.003 1 904 228 98 TRP HA H 5.14 0 1 905 228 98 TRP HB2 H 2.77 0 2 906 228 98 TRP HB3 H 2.588 0 2 907 228 98 TRP HD1 H 6.963 0 1 908 228 98 TRP HE3 H 6.294 0 1 909 228 98 TRP HZ2 H 7.101 0 1 910 228 98 TRP HZ3 H 7.496 0 1 911 228 98 TRP HH2 H 6.596 0 1 912 228 98 TRP C C 174.818 0.003 1 913 228 98 TRP CA C 55.282 0.11 1 914 228 98 TRP CB C 33.724 0.054 1 915 228 98 TRP CD1 C 127.493 0 1 916 228 98 TRP CE3 C 116.802 0 1 917 228 98 TRP CZ2 C 118.262 0 1 918 228 98 TRP CZ3 C 115.464 0 1 919 228 98 TRP CH2 C 123.401 0 1 920 228 98 TRP N N 123.546 0.067 1 921 229 99 ASP H H 9.119 0.006 1 922 229 99 ASP HA H 4.88 0 1 923 229 99 ASP HB2 H 2.349 0 2 924 229 99 ASP HB3 H 2.617 0 2 925 229 99 ASP C C 174.343 0.005 1 926 229 99 ASP CA C 53.018 0 1 927 229 99 ASP CB C 44.48 0.017 1 928 229 99 ASP N N 121.308 0.042 1 929 230 100 TYR H H 8.641 0.006 1 930 230 100 TYR HA H 5.108 0 1 931 230 100 TYR HB2 H 2.95 0 2 932 230 100 TYR HB3 H 2.95 0 2 933 230 100 TYR HD1 H 7.025 0.001 3 934 230 100 TYR HD2 H 7.024 0 3 935 230 100 TYR HE1 H 6.554 0 3 936 230 100 TYR HE2 H 6.554 0 3 937 230 100 TYR C C 176.444 0.009 1 938 230 100 TYR CA C 55.362 0.049 1 939 230 100 TYR CB C 39.293 0.058 1 940 230 100 TYR CD1 C 132.889 0 3 941 230 100 TYR CD2 C 132.889 0 3 942 230 100 TYR CE1 C 117.913 0 3 943 230 100 TYR CE2 C 117.913 0 3 944 230 100 TYR N N 121.983 0.012 1 945 231 101 GLY H H 9.049 0.003 1 946 231 101 GLY HA2 H 3.731 0 2 947 231 101 GLY HA3 H 3.731 0 2 948 231 101 GLY C C 170.927 0 1 949 231 101 GLY CA C 44.574 0 1 950 231 101 GLY N N 112.719 0.034 1 951 233 103 LEU HA H 4.653 0 1 952 233 103 LEU HB2 H 1.019 0 2 953 233 103 LEU HB3 H 1.748 0 2 954 233 103 LEU HG H 1.359 0 1 955 233 103 LEU HD1 H 0.53 0 1 956 233 103 LEU HD2 H 0.334 0 1 957 233 103 LEU C C 176.005 0.006 1 958 233 103 LEU CA C 55.16 0 1 959 233 103 LEU CB C 41.783 0.017 1 960 233 103 LEU CG C 27.412 0 1 961 233 103 LEU CD1 C 24.323 0 2 962 233 103 LEU CD2 C 26.18 0 2 963 234 104 LYS H H 9.699 0.003 1 964 234 104 LYS HA H 4.586 0 1 965 234 104 LYS HB2 H 1.857 0 2 966 234 104 LYS HB3 H 1.708 0 2 967 234 104 LYS HG2 H 1.374 0 2 968 234 104 LYS HG3 H 1.188 0 2 969 234 104 LYS HD2 H 1.689 0 2 970 234 104 LYS HD3 H 1.689 0 2 971 234 104 LYS C C 174.919 0.006 1 972 234 104 LYS CA C 55.495 0.143 1 973 234 104 LYS CB C 34.936 0.034 1 974 234 104 LYS CG C 24.598 0 1 975 234 104 LYS CD C 29.362 0 1 976 234 104 LYS N N 131.547 0.068 1 977 235 105 LYS H H 8.54 0.004 1 978 235 105 LYS HA H 4.1 0 1 979 235 105 LYS HB2 H 1.866 0 2 980 235 105 LYS HB3 H 1.866 0 2 981 235 105 LYS HG2 H 1.426 0 2 982 235 105 LYS HG3 H 1.426 0 2 983 235 105 LYS HD2 H 1.117 0 2 984 235 105 LYS HD3 H 1.478 0 2 985 235 105 LYS C C 177.008 0.006 1 986 235 105 LYS CA C 55.889 0.001 1 987 235 105 LYS CB C 32.682 0.097 1 988 235 105 LYS CG C 24.522 0 1 989 235 105 LYS CD C 27.503 0 1 990 235 105 LYS N N 125.307 0.07 1 991 236 106 GLU H H 7.965 0.002 1 992 236 106 GLU HA H 4.524 0 1 993 236 106 GLU HB2 H 1.968 0 2 994 236 106 GLU HB3 H 2.065 0 2 995 236 106 GLU HG2 H 2.549 0 2 996 236 106 GLU HG3 H 2.742 0 2 997 236 106 GLU C C 175.949 0 1 998 236 106 GLU CA C 55.163 0 1 999 236 106 GLU CB C 30.444 0 1 1000 236 106 GLU N N 126.958 0.095 1 1001 237 107 ASN HA H 4.569 0 1 1002 237 107 ASN HB2 H 2.845 0 2 1003 237 107 ASN HB3 H 2.845 0 2 1004 237 107 ASN HD21 H 7.562 0 2 1005 237 107 ASN HD22 H 6.851 0 2 1006 237 107 ASN C C 175.289 0.009 1 1007 237 107 ASN CA C 53.953 0.024 1 1008 237 107 ASN CB C 37.326 0.059 1 1009 237 107 ASN ND2 N 111.922 0.002 1 1010 238 108 VAL H H 6.933 0.003 1 1011 238 108 VAL HA H 4.367 0 1 1012 238 108 VAL HB H 1.753 0 1 1013 238 108 VAL HG1 H 0.962 0 1 1014 238 108 VAL HG2 H 0.962 0 1 1015 238 108 VAL C C 173.553 0 1 1016 238 108 VAL CA C 59.244 0 1 1017 238 108 VAL CB C 34.751 0 1 1018 238 108 VAL N N 119.927 0.023 1 1019 239 109 PRO HA H 4.336 0 1 1020 239 109 PRO HB2 H 2.284 0 2 1021 239 109 PRO HB3 H 2.284 0 2 1022 239 109 PRO HG2 H 1.947 0 2 1023 239 109 PRO HG3 H 1.968 0 2 1024 239 109 PRO HD2 H 3.989 0 2 1025 239 109 PRO HD3 H 3.845 0 2 1026 239 109 PRO C C 177.115 0.009 1 1027 239 109 PRO CA C 63.913 0.011 1 1028 239 109 PRO CB C 32.486 0.042 1 1029 239 109 PRO CG C 27.559 0 1 1030 240 110 GLY H H 8.63 0.006 1 1031 240 110 GLY C C 172.521 0.007 1 1032 240 110 GLY CA C 46.093 0.006 1 1033 240 110 GLY N N 110.452 0.072 1 1034 241 111 LYS H H 7.517 0.003 1 1035 241 111 LYS HA H 5.516 0 1 1036 241 111 LYS HB2 H 1.903 0 2 1037 241 111 LYS HB3 H 1.903 0 2 1038 241 111 LYS HG2 H 1.296 0 2 1039 241 111 LYS HG3 H 1.297 0 2 1040 241 111 LYS HD2 H 1.478 0 2 1041 241 111 LYS HD3 H 1.481 0 2 1042 241 111 LYS C C 174.814 0.005 1 1043 241 111 LYS CA C 55.792 0 1 1044 241 111 LYS CB C 35.715 0.029 1 1045 241 111 LYS N N 120.206 0.011 1 1046 242 112 TYR H H 9.317 0.005 1 1047 242 112 TYR HA H 5.67 0 1 1048 242 112 TYR HB2 H 2.69 0 2 1049 242 112 TYR HB3 H 2.69 0 2 1050 242 112 TYR HD1 H 6.912 0 3 1051 242 112 TYR HD2 H 6.902 0.009 3 1052 242 112 TYR HE1 H 6.679 0 3 1053 242 112 TYR HE2 H 6.679 0 3 1054 242 112 TYR C C 175.395 0.007 1 1055 242 112 TYR CA C 56.162 0.007 1 1056 242 112 TYR CB C 41.865 0.076 1 1057 242 112 TYR CD1 C 133.246 0 3 1058 242 112 TYR CD2 C 133.246 0 3 1059 242 112 TYR CE1 C 117.948 0 3 1060 242 112 TYR CE2 C 117.948 0 3 1061 242 112 TYR N N 127.238 0.041 1 1062 243 113 THR H H 9.3 0.003 1 1063 243 113 THR HA H 5.853 0 1 1064 243 113 THR HB H 4.103 0 1 1065 243 113 THR HG2 H 1.261 0 1 1066 243 113 THR C C 173.875 0.015 1 1067 243 113 THR CA C 58.933 0.032 1 1068 243 113 THR CB C 73.784 0.03 1 1069 243 113 THR CG2 C 22.055 0 1 1070 243 113 THR N N 110.871 0.042 1 1071 244 114 GLN H H 8.909 0.004 1 1072 244 114 GLN HA H 4.765 0 1 1073 244 114 GLN HB2 H 1.967 0 2 1074 244 114 GLN HB3 H 1.967 0 2 1075 244 114 GLN HG2 H 2.126 0 2 1076 244 114 GLN HG3 H 2.126 0 2 1077 244 114 GLN C C 174.043 0.005 1 1078 244 114 GLN CA C 55.858 0.007 1 1079 244 114 GLN CB C 33.374 0.074 1 1080 244 114 GLN N N 119.717 0.033 1 1081 245 115 VAL H H 8.986 0.002 1 1082 245 115 VAL HA H 4.948 0 1 1083 245 115 VAL HB H 1.95 0 1 1084 245 115 VAL HG1 H 1.08 0 1 1085 245 115 VAL HG2 H 0.929 0 1 1086 245 115 VAL C C 175.605 0.005 1 1087 245 115 VAL CA C 62.391 0.015 1 1088 245 115 VAL CB C 33.095 0.065 1 1089 245 115 VAL CG1 C 22.004 0 2 1090 245 115 VAL CG2 C 21.529 0 2 1091 245 115 VAL N N 129.914 0.037 1 1092 246 116 ILE H H 9.463 0.003 1 1093 246 116 ILE HA H 4.903 0 1 1094 246 116 ILE HB H 1.899 0 1 1095 246 116 ILE HG12 H 1.399 0 2 1096 246 116 ILE HG13 H 1.399 0 2 1097 246 116 ILE HG2 H 0.985 0 1 1098 246 116 ILE HD1 H 0.8 0 1 1099 246 116 ILE C C 174.712 0.007 1 1100 246 116 ILE CA C 59.469 0.01 1 1101 246 116 ILE CB C 40.54 0.035 1 1102 246 116 ILE CG1 C 27.802 0 1 1103 246 116 ILE CG2 C 18.419 0 1 1104 246 116 ILE CD1 C 13.037 0 1 1105 246 116 ILE N N 129.524 0.057 1 1106 247 117 THR H H 9.135 0.003 1 1107 247 117 THR HA H 5.046 0 1 1108 247 117 THR HB H 3.822 0 1 1109 247 117 THR HG2 H 0.88 0 1 1110 247 117 THR C C 172.99 0.011 1 1111 247 117 THR CA C 61.895 0.037 1 1112 247 117 THR CB C 71.078 0.097 1 1113 247 117 THR CG2 C 20.491 0 1 1114 247 117 THR N N 122.687 0.062 1 1115 248 118 TYR H H 8.265 0.006 1 1116 248 118 TYR HA H 5.16 0 1 1117 248 118 TYR HB2 H 2.743 0 2 1118 248 118 TYR HB3 H 2.537 0 2 1119 248 118 TYR C C 175.003 0.004 1 1120 248 118 TYR CA C 55.148 0 1 1121 248 118 TYR CB C 40.671 0.067 1 1122 248 118 TYR N N 127.675 0.051 1 1123 249 119 ARG H H 8.526 0.004 1 1124 249 119 ARG HA H 4.94 0 1 1125 249 119 ARG HB2 H 1.668 0 2 1126 249 119 ARG HB3 H 1.668 0 2 1127 249 119 ARG HG2 H 1.514 0 2 1128 249 119 ARG HG3 H 1.514 0 2 1129 249 119 ARG HD2 H 2.831 0 2 1130 249 119 ARG HD3 H 3.023 0 2 1131 249 119 ARG C C 175.419 0 1 1132 249 119 ARG CA C 54.36 0 1 1133 249 119 ARG CB C 30.563 0 1 1134 249 119 ARG N N 124.392 0.044 1 1135 251 121 HIS HA H 4.242 0 1 1136 251 121 HIS HB2 H 3.34 0 2 1137 251 121 HIS HB3 H 3.753 0 2 1138 251 121 HIS HD2 H 7.106 0.001 1 1139 251 121 HIS HE1 H 7.941 0 1 1140 251 121 HIS C C 175.679 0.024 1 1141 251 121 HIS CA C 57.196 0 1 1142 251 121 HIS CB C 29.809 0.099 1 1143 251 121 HIS CD2 C 120.156 0 1 1144 251 121 HIS CE1 C 137.816 0 1 1145 252 122 SER H H 8.104 0.008 1 1146 252 122 SER HA H 4.525 0 1 1147 252 122 SER HB2 H 3.42 0 2 1148 252 122 SER HB3 H 3.259 0 2 1149 252 122 SER C C 174.786 0 1 1150 252 122 SER CA C 57.457 0 1 1151 252 122 SER CB C 66.3 0.002 1 1152 252 122 SER N N 113.326 0.16 1 1153 253 123 ASN H H 9.091 0.01 1 1154 253 123 ASN HA H 4.867 0 1 1155 253 123 ASN HB2 H 2.888 0 2 1156 253 123 ASN HB3 H 2.752 0 2 1157 253 123 ASN HD21 H 7.507 0 2 1158 253 123 ASN HD22 H 7.038 0 2 1159 253 123 ASN C C 176.321 0.009 1 1160 253 123 ASN CA C 54.577 0.118 1 1161 253 123 ASN CB C 38.331 0.02 1 1162 253 123 ASN N N 129.785 0.048 1 1163 253 123 ASN ND2 N 111.472 0.002 1 1164 254 124 GLU H H 8.693 0.005 1 1165 254 124 GLU HA H 4.418 0 1 1166 254 124 GLU HB2 H 2.479 0 2 1167 254 124 GLU HB3 H 2.478 0.001 2 1168 254 124 GLU C C 173.167 0.013 1 1169 254 124 GLU CA C 58.581 0 1 1170 254 124 GLU CB C 32.531 0 1 1171 254 124 GLU N N 123.432 0.029 1 1172 255 125 ARG H H 9.064 0.006 1 1173 255 125 ARG HA H 5.303 0 1 1174 255 125 ARG HB2 H 1.693 0 2 1175 255 125 ARG HB3 H 1.693 0 2 1176 255 125 ARG HG2 H 1.283 0 2 1177 255 125 ARG HG3 H 1.491 0 2 1178 255 125 ARG HD2 H 3.093 0 2 1179 255 125 ARG HD3 H 3.01 0 2 1180 255 125 ARG C C 175.022 0.006 1 1181 255 125 ARG CA C 54.626 0.064 1 1182 255 125 ARG CB C 32.174 0.025 1 1183 255 125 ARG CG C 27.9 0 1 1184 255 125 ARG CD C 43.259 0 1 1185 255 125 ARG N N 129.935 0.035 1 1186 256 126 ILE H H 8.944 0.006 1 1187 256 126 ILE HA H 5.003 0 1 1188 256 126 ILE HB H 1.258 0 1 1189 256 126 ILE HG2 H 0.152 0.002 1 1190 256 126 ILE HD1 H -0.394 0 1 1191 256 126 ILE C C 173.059 0 1 1192 256 126 ILE CA C 59.09 0 1 1193 256 126 ILE CB C 40.585 0.104 1 1194 256 126 ILE N N 119.852 0.117 1 1195 257 127 ASP HA H 5.424 0 1 1196 257 127 ASP HB2 H 2.446 0 2 1197 257 127 ASP HB3 H 2.446 0 2 1198 257 127 ASP C C 175.425 0.005 1 1199 257 127 ASP CA C 52.657 0 1 1200 257 127 ASP CB C 42.977 0.005 1 1201 258 128 ILE H H 9.13 0.008 1 1202 258 128 ILE HA H 4.531 0 1 1203 258 128 ILE HB H 1.475 0 1 1204 258 128 ILE HG12 H 1.261 0 2 1205 258 128 ILE HG13 H 0.887 0 2 1206 258 128 ILE HG2 H 0.591 0 1 1207 258 128 ILE HD1 H 0.591 0 1 1208 258 128 ILE C C 173.819 0.004 1 1209 258 128 ILE CA C 60.552 0.054 1 1210 258 128 ILE CB C 39.076 0.087 1 1211 258 128 ILE CG2 C 17.988 0 1 1212 258 128 ILE CD1 C 14.363 0 1 1213 258 128 ILE N N 126.636 0.057 1 1214 259 129 SER H H 8.842 0.006 1 1215 259 129 SER HA H 5.412 0 1 1216 259 129 SER HB2 H 3.651 0 2 1217 259 129 SER HB3 H 3.651 0 2 1218 259 129 SER C C 174.102 0.004 1 1219 259 129 SER CA C 56.02 0.024 1 1220 259 129 SER CB C 64.667 0.07 1 1221 259 129 SER N N 121.245 0.07 1 1222 260 130 PHE H H 9.19 0.002 1 1223 260 130 PHE HA H 5.16 0 1 1224 260 130 PHE HB2 H 3.257 0 2 1225 260 130 PHE HB3 H 1.991 0 2 1226 260 130 PHE HD1 H 7.17 0 3 1227 260 130 PHE HD2 H 7.171 0.001 3 1228 260 130 PHE HE1 H 7.018 0 3 1229 260 130 PHE HE2 H 6.802 0 3 1230 260 130 PHE HZ H 7.287 0 1 1231 260 130 PHE C C 173.221 0.005 1 1232 260 130 PHE CA C 52.438 0.028 1 1233 260 130 PHE CB C 39.759 0.061 1 1234 260 130 PHE CD2 C 131.839 0 3 1235 260 130 PHE CE1 C 129.103 0 3 1236 260 130 PHE N N 126.009 0.025 1 1237 261 131 LYS H H 8.571 0.003 1 1238 261 131 LYS HA H 5.027 0 1 1239 261 131 LYS HB2 H 1.492 0 2 1240 261 131 LYS HB3 H 1.652 0 2 1241 261 131 LYS HG2 H 1.038 0 2 1242 261 131 LYS HG3 H 1.038 0 2 1243 261 131 LYS HD2 H 1.488 0 2 1244 261 131 LYS HD3 H 1.488 0 2 1245 261 131 LYS HE2 H 3.059 0 2 1246 261 131 LYS HE3 H 3.076 0 2 1247 261 131 LYS C C 176.151 0.005 1 1248 261 131 LYS CA C 54.318 0.046 1 1249 261 131 LYS CB C 33.946 0.021 1 1250 261 131 LYS N N 122.246 0.044 1 1251 262 132 TYR H H 8.782 0.006 1 1252 262 132 TYR HA H 4.348 0 1 1253 262 132 TYR HB2 H 1.78 0 2 1254 262 132 TYR HB3 H 1.348 0 2 1255 262 132 TYR HD1 H 6.574 0 3 1256 262 132 TYR HD2 H 6.831 0.257 3 1257 262 132 TYR HE1 H 6.807 0 3 1258 262 132 TYR HE2 H 6.807 0 3 1259 262 132 TYR C C 175.156 0.008 1 1260 262 132 TYR CA C 56.803 0.112 1 1261 262 132 TYR CB C 38.969 0.064 1 1262 262 132 TYR CD1 C 133.748 0 3 1263 262 132 TYR CD2 C 133.767 0 3 1264 262 132 TYR CE1 C 118.252 0 3 1265 262 132 TYR CE2 C 118.252 0 3 1266 262 132 TYR N N 127.808 0.039 1 1267 263 133 ALA H H 9.61 0.035 1 1268 263 133 ALA HA H 4.152 0 1 1269 263 133 ALA HB H 1.41 0 1 1270 263 133 ALA C C 175.836 0.019 1 1271 263 133 ALA CA C 53.033 0 1 1272 263 133 ALA CB C 17.595 0.012 1 1273 263 133 ALA N N 127.513 0.048 1 1274 264 134 MET H H 9.26 0.015 1 1275 264 134 MET HA H 3.77 0 1 1276 264 134 MET HB2 H 2.243 0 2 1277 264 134 MET HB3 H 2.243 0 2 1278 264 134 MET HG2 H 2.355 0 2 1279 264 134 MET HG3 H 2.481 0 2 1280 264 134 MET HE H 1.049 0 1 1281 264 134 MET C C 176.537 0.013 1 1282 264 134 MET CA C 56.572 0.016 1 1283 264 134 MET CB C 29.689 0.054 1 1284 264 134 MET CG C 32.86 0 1 1285 264 134 MET N N 112.414 0.039 1 1286 265 135 SER H H 8.322 0.005 1 1287 265 135 SER HA H 4.783 0 1 1288 265 135 SER HB2 H 3.955 0 2 1289 265 135 SER HB3 H 3.955 0 2 1290 265 135 SER C C 173.61 0.015 1 1291 265 135 SER CA C 59.664 0 1 1292 265 135 SER CB C 65.18 0.022 1 1293 265 135 SER N N 113.699 0.056 1 1294 266 136 PHE H H 7.419 0.005 1 1295 266 136 PHE HA H 5.125 0 1 1296 266 136 PHE HB2 H 3.401 0 2 1297 266 136 PHE HB3 H 3.272 0 2 1298 266 136 PHE HD1 H 7.135 0 3 1299 266 136 PHE HD2 H 7.135 0 3 1300 266 136 PHE HE1 H 6.561 0 3 1301 266 136 PHE HE2 H 6.802 0 3 1302 266 136 PHE HZ H 7.287 0 1 1303 266 136 PHE C C 172.969 0.006 1 1304 266 136 PHE CA C 55.972 0.017 1 1305 266 136 PHE CB C 40.22 0.078 1 1306 266 136 PHE CE1 C 130.93 0 3 1307 266 136 PHE N N 116.143 0.032 1 1308 267 137 THR H H 8.859 0.003 1 1309 267 137 THR HA H 6.103 0 1 1310 267 137 THR HB H 4.061 0 1 1311 267 137 THR HG2 H 1.094 0 1 1312 267 137 THR C C 175.167 0.005 1 1313 267 137 THR CA C 60.081 0.331 1 1314 267 137 THR CB C 71.865 0.033 1 1315 267 137 THR N N 113.977 0.037 1 1316 268 138 LYS H H 9.138 0.002 1 1317 268 138 LYS HA H 4.82 0 1 1318 268 138 LYS HB2 H 2.037 0 2 1319 268 138 LYS HB3 H 2.037 0 2 1320 268 138 LYS HG2 H 1.431 0 2 1321 268 138 LYS HG3 H 1.431 0 2 1322 268 138 LYS HD2 H 1.635 0 2 1323 268 138 LYS HD3 H 1.635 0 2 1324 268 138 LYS HE2 H 2.322 0 2 1325 268 138 LYS HE3 H 2.322 0 2 1326 268 138 LYS C C 173.556 0.008 1 1327 268 138 LYS CA C 54.77 0.098 1 1328 268 138 LYS CB C 36.527 0.013 1 1329 268 138 LYS CG C 26.091 0 1 1330 268 138 LYS CD C 28.754 0 1 1331 268 138 LYS N N 122.537 0.042 1 1332 269 139 GLU H H 8.24 0.003 1 1333 269 139 GLU HA H 5.537 0 1 1334 269 139 GLU HB2 H 1.779 0 2 1335 269 139 GLU HB3 H 1.876 0 2 1336 269 139 GLU HG2 H 2.104 0 2 1337 269 139 GLU HG3 H 1.943 0 2 1338 269 139 GLU C C 156.991 26.523 1 1339 269 139 GLU CA C 55.036 0.081 1 1340 269 139 GLU CB C 34.384 0 1 1341 269 139 GLU CG C 36.41 0 1 1342 269 139 GLU N N 119.533 0.078 1 1343 270 140 ILE H H 8.613 0.003 1 1344 270 140 ILE HA H 4.565 0 1 1345 270 140 ILE HB H 1.759 0 1 1346 270 140 ILE HG12 H 1.363 0 2 1347 270 140 ILE HG13 H 0.976 0 2 1348 270 140 ILE HG2 H 0.752 0 1 1349 270 140 ILE HD1 H 0.752 0 1 1350 270 140 ILE C C 174.014 0.005 1 1351 270 140 ILE CA C 58.638 0.016 1 1352 270 140 ILE CB C 43.554 0.014 1 1353 270 140 ILE CG1 C 28.044 0 1 1354 270 140 ILE CG2 C 20.285 0 1 1355 270 140 ILE CD1 C 15.14 0 1 1356 270 140 ILE N N 118.706 0.062 1 1357 271 141 SER H H 8.013 0.003 1 1358 271 141 SER HA H 5.524 0 1 1359 271 141 SER HB2 H 3.684 0 2 1360 271 141 SER HB3 H 3.538 0 2 1361 271 141 SER C C 172.92 0.006 1 1362 271 141 SER CA C 57.492 0.003 1 1363 271 141 SER CB C 65.672 0.011 1 1364 271 141 SER N N 117.932 0.084 1 1365 272 142 ILE H H 8.922 0.002 1 1366 272 142 ILE HA H 4.568 0 1 1367 272 142 ILE HB H 1.463 0 1 1368 272 142 ILE HG12 H 1.339 0 2 1369 272 142 ILE HG13 H 1.339 0 2 1370 272 142 ILE HG2 H 0.817 0 1 1371 272 142 ILE HD1 H 0.711 0 1 1372 272 142 ILE C C 173.556 0 1 1373 272 142 ILE CA C 60.063 0 1 1374 272 142 ILE CB C 41.877 0 1 1375 272 142 ILE N N 122.238 0.061 1 1376 273 143 ARG HA H 4.964 0 1 1377 273 143 ARG HB2 H 1.753 0 2 1378 273 143 ARG HB3 H 1.753 0 2 1379 273 143 ARG HG2 H 1.466 0 2 1380 273 143 ARG HG3 H 1.632 0 2 1381 273 143 ARG HD2 H 3.148 0 2 1382 273 143 ARG HD3 H 3.148 0 2 1383 273 143 ARG C C 174.178 0.007 1 1384 273 143 ARG CA C 55.124 0.036 1 1385 273 143 ARG CB C 32.499 0.045 1 1386 273 143 ARG CG C 28.184 0 1 1387 273 143 ARG CD C 43.441 0 1 1388 274 144 GLY H H 9.157 0.002 1 1389 274 144 GLY HA2 H 3.971 0 2 1390 274 144 GLY HA3 H 3.971 0 2 1391 274 144 GLY C C 173.284 0.006 1 1392 274 144 GLY CA C 42.904 0 1 1393 274 144 GLY N N 114.042 0.045 1 1394 275 145 ARG H H 8.797 0.002 1 1395 275 145 ARG HA H 4.936 0 1 1396 275 145 ARG HB2 H 1.677 0 2 1397 275 145 ARG HB3 H 1.507 0 2 1398 275 145 ARG HG2 H 1.502 0 2 1399 275 145 ARG HG3 H 1.502 0 2 1400 275 145 ARG HD2 H 3.054 0 2 1401 275 145 ARG HD3 H 3.054 0 2 1402 275 145 ARG C C 174.307 0.002 1 1403 275 145 ARG CA C 53.739 0.003 1 1404 275 145 ARG CB C 33.189 0.005 1 1405 275 145 ARG CG C 26.348 0 1 1406 275 145 ARG CD C 43.554 0 1 1407 275 145 ARG N N 128.482 0.027 1 1408 276 146 LEU H H 8.289 0.003 1 1409 276 146 LEU HA H 3.997 0 1 1410 276 146 LEU HB2 H 1.453 0 2 1411 276 146 LEU HB3 H 1.613 0 2 1412 276 146 LEU HG H 1.531 0.096 1 1413 276 146 LEU HD1 H 0.653 0 1 1414 276 146 LEU HD2 H 0.746 0.003 1 1415 276 146 LEU C C 174.294 0 1 1416 276 146 LEU CA C 56.921 0 1 1417 276 146 LEU CB C 42.803 0 1 1418 276 146 LEU N N 128.707 0.032 1 stop_ save_