data_16475 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240 ; _BMRB_accession_number 16475 _BMRB_flat_file_name bmr16475.str _Entry_type original _Submission_date 2009-09-01 _Accession_date 2009-09-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone resonance assignment of the 305 amino acid LpxC from E. coli in complex with the antibacterial inhibitor L-161,240' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barb Adam W. . 2 Jiang Ling . . 3 Raetz Christian R.H. . 4 Zhou Pei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 526 "13C chemical shifts" 824 "15N chemical shifts" 275 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-20 update BMRB 'complete entry citation' 2009-12-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assignment of 1H, 13C and 15N backbone resonances of Escherichia coli LpxC bound to L-161,240.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19941092 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barb Adam W. . 2 Jiang Ling . . 3 Raetz Christian R.H. . 4 Zhou Pei . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 37 _Page_last 40 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LpxC-L-161,240 complex' _Enzyme_commission_number 3.5.1.- loop_ _Mol_system_component_name _Mol_label LpxC $LpxC L-161,240 $L-161_240 Zinc $ZN stop_ _System_molecular_weight 34000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LpxC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LpxC _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'UDP-3-O-acyl N-acetylglucosamine deacetylase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 305 _Mol_residue_sequence ; MIKQRTLKRIVQATGVGLHT GKKVTLTLRPAPANTGVIYR RTDLNPPVDFPADAKSVRDT MLCTCLVNEHDVRISTVEHL NAALAGLGIDNIVIEVNAPE IPIMDGSAAPFVYLLLDAGI DELNCAKKFVRIKETVRVED GDKWAEFKPYNGFSLDFTID FNHPAIDSSNQRYAMNFSAD AFMRQISRARTFGFMRDIEY LQSRGLCLGGSFDCAIVVDD YRVLNEDGLRFEDEFVRHKM LDAIGDLFMCGHNIIGAFTA YKSGHALNNKLLQAVLAKQE AWEYVTFQDDAELPLAFKAP SAVLA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 LYS 4 GLN 5 ARG 6 THR 7 LEU 8 LYS 9 ARG 10 ILE 11 VAL 12 GLN 13 ALA 14 THR 15 GLY 16 VAL 17 GLY 18 LEU 19 HIS 20 THR 21 GLY 22 LYS 23 LYS 24 VAL 25 THR 26 LEU 27 THR 28 LEU 29 ARG 30 PRO 31 ALA 32 PRO 33 ALA 34 ASN 35 THR 36 GLY 37 VAL 38 ILE 39 TYR 40 ARG 41 ARG 42 THR 43 ASP 44 LEU 45 ASN 46 PRO 47 PRO 48 VAL 49 ASP 50 PHE 51 PRO 52 ALA 53 ASP 54 ALA 55 LYS 56 SER 57 VAL 58 ARG 59 ASP 60 THR 61 MET 62 LEU 63 CYS 64 THR 65 CYS 66 LEU 67 VAL 68 ASN 69 GLU 70 HIS 71 ASP 72 VAL 73 ARG 74 ILE 75 SER 76 THR 77 VAL 78 GLU 79 HIS 80 LEU 81 ASN 82 ALA 83 ALA 84 LEU 85 ALA 86 GLY 87 LEU 88 GLY 89 ILE 90 ASP 91 ASN 92 ILE 93 VAL 94 ILE 95 GLU 96 VAL 97 ASN 98 ALA 99 PRO 100 GLU 101 ILE 102 PRO 103 ILE 104 MET 105 ASP 106 GLY 107 SER 108 ALA 109 ALA 110 PRO 111 PHE 112 VAL 113 TYR 114 LEU 115 LEU 116 LEU 117 ASP 118 ALA 119 GLY 120 ILE 121 ASP 122 GLU 123 LEU 124 ASN 125 CYS 126 ALA 127 LYS 128 LYS 129 PHE 130 VAL 131 ARG 132 ILE 133 LYS 134 GLU 135 THR 136 VAL 137 ARG 138 VAL 139 GLU 140 ASP 141 GLY 142 ASP 143 LYS 144 TRP 145 ALA 146 GLU 147 PHE 148 LYS 149 PRO 150 TYR 151 ASN 152 GLY 153 PHE 154 SER 155 LEU 156 ASP 157 PHE 158 THR 159 ILE 160 ASP 161 PHE 162 ASN 163 HIS 164 PRO 165 ALA 166 ILE 167 ASP 168 SER 169 SER 170 ASN 171 GLN 172 ARG 173 TYR 174 ALA 175 MET 176 ASN 177 PHE 178 SER 179 ALA 180 ASP 181 ALA 182 PHE 183 MET 184 ARG 185 GLN 186 ILE 187 SER 188 ARG 189 ALA 190 ARG 191 THR 192 PHE 193 GLY 194 PHE 195 MET 196 ARG 197 ASP 198 ILE 199 GLU 200 TYR 201 LEU 202 GLN 203 SER 204 ARG 205 GLY 206 LEU 207 CYS 208 LEU 209 GLY 210 GLY 211 SER 212 PHE 213 ASP 214 CYS 215 ALA 216 ILE 217 VAL 218 VAL 219 ASP 220 ASP 221 TYR 222 ARG 223 VAL 224 LEU 225 ASN 226 GLU 227 ASP 228 GLY 229 LEU 230 ARG 231 PHE 232 GLU 233 ASP 234 GLU 235 PHE 236 VAL 237 ARG 238 HIS 239 LYS 240 MET 241 LEU 242 ASP 243 ALA 244 ILE 245 GLY 246 ASP 247 LEU 248 PHE 249 MET 250 CYS 251 GLY 252 HIS 253 ASN 254 ILE 255 ILE 256 GLY 257 ALA 258 PHE 259 THR 260 ALA 261 TYR 262 LYS 263 SER 264 GLY 265 HIS 266 ALA 267 LEU 268 ASN 269 ASN 270 LYS 271 LEU 272 LEU 273 GLN 274 ALA 275 VAL 276 LEU 277 ALA 278 LYS 279 GLN 280 GLU 281 ALA 282 TRP 283 GLU 284 TYR 285 VAL 286 THR 287 PHE 288 GLN 289 ASP 290 ASP 291 ALA 292 GLU 293 LEU 294 PRO 295 LEU 296 ALA 297 PHE 298 LYS 299 ALA 300 PRO 301 SER 302 ALA 303 VAL 304 LEU 305 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 3P3G "Crystal Structure Of The Escherichia Coli LpxcLPC-009 Complex" 98.36 300 100.00 100.00 0.00e+00 PDB 3PS1 "Crystal Structure Of The Escherichia Coli Lpxc/lpc-011 Complex" 98.36 300 100.00 100.00 0.00e+00 PDB 3PS2 "Crystal Structure Of The Escherichia Coli LpxcLPC-012 Complex" 98.36 300 100.00 100.00 0.00e+00 PDB 3PS3 "Crystal Structure Of The Escherichia Coli LpxcLPC-053 Complex" 98.36 300 100.00 100.00 0.00e+00 PDB 4IS9 "Crystal Structure Of The Escherichia Coli Lpxc/l-161,240 Complex" 98.36 300 100.00 100.00 0.00e+00 PDB 4ISA "Crystal Structure Of The Escherichia Coli Lpxc/bb-78485 Complex" 98.36 300 100.00 100.00 0.00e+00 PDB 4MDT "Structure Of Lpxc Bound To The Reaction Product Udp-(3-o-(r-3- Hydroxymyristoyl))-glucosamine" 100.00 305 99.67 99.67 0.00e+00 PDB 4MQY "Crystal Structure Of The Escherichia Coli Lpxc/lpc-138 Complex" 100.00 305 100.00 100.00 0.00e+00 DBJ BAB33523 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Escherichia coli O157:H7 str. Sakai]" 100.00 305 100.00 100.00 0.00e+00 DBJ BAB96664 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Escherichia coli str. K12 substr. W3110]" 100.00 305 100.00 100.00 0.00e+00 DBJ BAG75622 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Escherichia coli SE11]" 100.00 305 100.00 100.00 0.00e+00 DBJ BAI23460 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Escherichia coli O26:H11 str. 11368]" 100.00 305 100.00 100.00 0.00e+00 DBJ BAI28976 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Escherichia coli O103:H2 str. 12009]" 100.00 305 100.00 100.00 0.00e+00 EMBL CAA38873 "EnvA protein [Escherichia coli str. K-12 substr. W3110]" 100.00 305 100.00 100.00 0.00e+00 EMBL CAD01291 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 305 98.03 99.34 0.00e+00 EMBL CAP74665 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine [Escherichia coli LF82]" 100.00 305 100.00 100.00 0.00e+00 EMBL CAQ30613 "UDP-3-O-acyl-N-acetylglucosamine deacetylase [Escherichia coli BL21(DE3)]" 100.00 305 100.00 100.00 0.00e+00 EMBL CAQ87701 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Escherichia fergusonii ATCC 35469]" 100.00 305 97.70 99.02 0.00e+00 GB AAA83849 "ell permeability-cell separation protein [Escherichia coli]" 100.00 305 100.00 100.00 0.00e+00 GB AAC73207 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Escherichia coli str. K-12 substr. MG1655]" 100.00 305 100.00 100.00 0.00e+00 GB AAG54400 "UDP-3-O-acyl N-acetylglucosamine deacetylase; lipid A biosynthesis [Escherichia coli O157:H7 str. EDL933]" 100.00 305 100.00 100.00 0.00e+00 GB AAL19098 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 305 98.36 99.67 0.00e+00 GB AAN41758 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Shigella flexneri 2a str. 301]" 100.00 305 100.00 100.00 0.00e+00 PIR AC0519 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [imported] - Salmonella enterica subsp. enterica serovar Typhi (st" 100.00 305 98.03 99.34 0.00e+00 REF NP_308127 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Escherichia coli O157:H7 str. Sakai]" 100.00 305 100.00 100.00 0.00e+00 REF NP_414638 "UDP-3-O-acyl N-acetylglucosamine deacetylase [Escherichia coli str. K-12 substr. MG1655]" 100.00 305 100.00 100.00 0.00e+00 REF NP_454746 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 305 98.03 99.34 0.00e+00 REF NP_459139 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 305 98.36 99.67 0.00e+00 REF NP_706051 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Shigella flexneri 2a str. 301]" 100.00 305 100.00 100.00 0.00e+00 SP A1A7E1 "RecName: Full=UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase; AltName: Full=UDP-3-O-acyl-GlcNAc deacetylase" 100.00 305 100.00 100.00 0.00e+00 SP A7ZHI7 "RecName: Full=UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase; AltName: Full=UDP-3-O-acyl-GlcNAc deacetylase" 100.00 305 100.00 100.00 0.00e+00 SP A7ZW48 "RecName: Full=UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase; AltName: Full=UDP-3-O-acyl-GlcNAc deacetylase" 100.00 305 100.00 100.00 0.00e+00 SP A8ALK0 "RecName: Full=UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase; AltName: Full=UDP-3-O-acyl-GlcNAc deacetylase" 100.00 305 98.69 99.67 0.00e+00 SP A9MQB6 "RecName: Full=UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase; AltName: Full=UDP-3-O-acyl-GlcNAc deacetylase" 100.00 305 98.03 99.34 0.00e+00 stop_ save_ ############# # Ligands # ############# save_L-161_240 _Saveframe_category ligand _Mol_type non-polymer _Name_common L-161,240 _BMRB_code . _PDB_code . _Molecular_mass 308.33 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic yes _Details . _Mol_thiol_state . _Sequence_homology_query_date . save_ save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LpxC 'E. coli' 562 Bacteria . Escherichia coli 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 $LpxC 'recombinant technology' . Escherichia coli 'Bl21* DE3' pET21b 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 $LpxC 1 mM '[U-13C; U-15N; U-2H]' $L-161_240 1 mM 'natural abundance' $ZN 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' NaPO4 25 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LpxC 1 mM '[U-100% 13C; U-100% 15N]' $L-161_240 1 mM 'natural abundance' $ZN 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' NaPO4 25 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LpxC 1 mM '[U-100% 2H]' $L-161_240 1 mM 'natural abundance' $ZN 1 mM 'natural abundance' D2O 100 % 'natural abundance' NaPO4 25 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_2 save_ save_3D_HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 25 mM NaPO4 100 mM NaCl ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.100 . M pH 6.25 . pH pressure 1 . atm temperature 310 . 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 internal direct . . . 1.000000000 DSS 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 HNCA' '3D HNCACB' '3D HNCO' '3D HNHA' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name LpxC _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 6 6 THR H H 8.65 0.05 1 2 6 6 THR HA H 4.74 0.05 1 3 6 6 THR C C 172.09 0.5 1 4 6 6 THR CA C 59.55 0.5 1 5 6 6 THR N N 116.62 0.5 1 6 7 7 LEU H H 7.99 0.05 1 7 7 7 LEU HA H 5.42 0.05 1 8 7 7 LEU C C 177.90 0.5 1 9 7 7 LEU CA C 53.31 0.5 1 10 7 7 LEU CB C 43.66 0.5 1 11 7 7 LEU N N 121.83 0.5 1 12 8 8 LYS H H 8.11 0.05 1 13 8 8 LYS HA H 4.01 0.05 1 14 8 8 LYS C C 176.30 0.5 1 15 8 8 LYS CA C 58.23 0.5 1 16 8 8 LYS CB C 33.42 0.5 1 17 8 8 LYS N N 118.18 0.5 1 18 9 9 ARG H H 7.36 0.05 1 19 9 9 ARG HA H 4.54 0.05 1 20 9 9 ARG C C 176.30 0.5 1 21 9 9 ARG CA C 54.03 0.5 1 22 9 9 ARG CB C 32.91 0.5 1 23 9 9 ARG N N 114.93 0.5 1 24 10 10 ILE H H 7.62 0.05 1 25 10 10 ILE HA H 4.69 0.05 1 26 10 10 ILE C C 177.30 0.5 1 27 10 10 ILE CA C 61.61 0.5 1 28 10 10 ILE CB C 39.45 0.5 1 29 10 10 ILE N N 117.45 0.5 1 30 11 11 VAL H H 8.15 0.05 1 31 11 11 VAL HA H 4.71 0.05 1 32 11 11 VAL C C 176.20 0.5 1 33 11 11 VAL CA C 60.28 0.5 1 34 11 11 VAL CB C 36.31 0.5 1 35 11 11 VAL N N 121.18 0.5 1 36 12 12 GLN H H 8.26 0.05 1 37 12 12 GLN HA H 5.70 0.05 1 38 12 12 GLN C C 174.50 0.5 1 39 12 12 GLN CA C 54.17 0.5 1 40 12 12 GLN CB C 33.94 0.5 1 41 12 12 GLN N N 120.26 0.5 1 42 13 13 ALA H H 8.94 0.05 1 43 13 13 ALA HA H 4.69 0.05 1 44 13 13 ALA C C 175.30 0.5 1 45 13 13 ALA CA C 51.65 0.5 1 46 13 13 ALA CB C 23.87 0.5 1 47 13 13 ALA N N 123.39 0.5 1 48 14 14 THR H H 8.30 0.05 1 49 14 14 THR HA H 5.55 0.05 1 50 14 14 THR C C 174.10 0.5 1 51 14 14 THR CA C 60.53 0.5 1 52 14 14 THR CB C 71.81 0.5 1 53 14 14 THR N N 113.75 0.5 1 54 15 15 GLY H H 8.43 0.05 1 55 15 15 GLY C C 171.20 0.5 1 56 15 15 GLY CA C 45.08 0.5 1 57 15 15 GLY N N 109.86 0.5 1 58 16 16 VAL H H 9.19 0.05 1 59 16 16 VAL HA H 4.55 0.05 1 60 16 16 VAL C C 176.60 0.5 1 61 16 16 VAL CA C 61.46 0.5 1 62 16 16 VAL CB C 34.43 0.5 1 63 16 16 VAL N N 121.96 0.5 1 64 17 17 GLY H H 8.68 0.05 1 65 17 17 GLY HA2 H 4.51 0.05 1 66 17 17 GLY C C 174.20 0.5 1 67 17 17 GLY CA C 45.00 0.5 1 68 17 17 GLY N N 111.96 0.5 1 69 18 18 LEU H H 8.80 0.05 1 70 18 18 LEU HA H 3.20 0.05 1 71 18 18 LEU C C 177.80 0.5 1 72 18 18 LEU CA C 58.64 0.5 1 73 18 18 LEU CB C 43.58 0.5 1 74 18 18 LEU N N 128.93 0.5 1 75 19 19 HIS H H 10.44 0.05 1 76 19 19 HIS HA H 4.27 0.05 1 77 19 19 HIS C C 180.10 0.5 1 78 19 19 HIS CA C 60.67 0.5 1 79 19 19 HIS CB C 30.08 0.5 1 80 19 19 HIS N N 118.20 0.5 1 81 20 20 THR H H 9.41 0.05 1 82 20 20 THR C C 177.00 0.5 1 83 20 20 THR CA C 63.58 0.5 1 84 20 20 THR CB C 71.31 0.5 1 85 20 20 THR N N 110.43 0.5 1 86 21 21 GLY H H 7.84 0.05 1 87 21 21 GLY C C 172.50 0.5 1 88 21 21 GLY CA C 45.52 0.5 1 89 21 21 GLY N N 110.64 0.5 1 90 22 22 LYS H H 7.32 0.05 1 91 22 22 LYS HA H 4.35 0.05 1 92 22 22 LYS C C 175.70 0.5 1 93 22 22 LYS CA C 54.98 0.5 1 94 22 22 LYS CB C 33.99 0.5 1 95 22 22 LYS N N 119.10 0.5 1 96 23 23 LYS H H 8.25 0.05 1 97 23 23 LYS HA H 4.40 0.05 1 98 23 23 LYS C C 176.40 0.5 1 99 23 23 LYS CA C 56.95 0.5 1 100 23 23 LYS CB C 31.91 0.5 1 101 23 23 LYS N N 120.52 0.5 1 102 24 24 VAL H H 9.11 0.05 1 103 24 24 VAL HA H 4.21 0.05 1 104 24 24 VAL C C 174.60 0.5 1 105 24 24 VAL CA C 61.90 0.5 1 106 24 24 VAL CB C 35.89 0.5 1 107 24 24 VAL N N 128.05 0.5 1 108 25 25 THR H H 9.06 0.05 1 109 25 25 THR HA H 4.82 0.05 1 110 25 25 THR C C 172.70 0.5 1 111 25 25 THR CA C 62.53 0.5 1 112 25 25 THR CB C 70.03 0.5 1 113 25 25 THR N N 123.07 0.5 1 114 26 26 LEU H H 9.29 0.05 1 115 26 26 LEU HA H 5.27 0.05 1 116 26 26 LEU C C 174.90 0.5 1 117 26 26 LEU CA C 52.98 0.5 1 118 26 26 LEU CB C 46.51 0.5 1 119 26 26 LEU N N 131.11 0.5 1 120 27 27 THR H H 9.41 0.05 1 121 27 27 THR HA H 4.92 0.05 1 122 27 27 THR C C 174.30 0.5 1 123 27 27 THR CA C 62.43 0.5 1 124 27 27 THR N N 122.30 0.5 1 125 28 28 LEU H H 9.14 0.05 1 126 28 28 LEU HA H 4.95 0.05 1 127 28 28 LEU C C 175.90 0.5 1 128 28 28 LEU CA C 53.82 0.5 1 129 28 28 LEU CB C 42.40 0.5 1 130 28 28 LEU N N 127.41 0.5 1 131 29 29 ARG H H 9.03 0.05 1 132 29 29 ARG HA H 5.04 0.05 1 133 29 29 ARG CA C 52.85 0.5 1 134 29 29 ARG CB C 32.21 0.5 1 135 29 29 ARG N N 118.98 0.5 1 136 30 30 PRO HA H 4.27 0.05 1 137 30 30 PRO C C 174.60 0.5 1 138 30 30 PRO CA C 62.21 0.5 1 139 31 31 ALA H H 8.21 0.05 1 140 31 31 ALA HA H 4.64 0.05 1 141 31 31 ALA CA C 49.76 0.5 1 142 31 31 ALA N N 123.91 0.5 1 143 32 32 PRO HA H 4.36 0.05 1 144 32 32 PRO C C 176.30 0.5 1 145 32 32 PRO CA C 61.52 0.5 1 146 32 32 PRO CB C 32.52 0.5 1 147 33 33 ALA H H 8.34 0.05 1 148 33 33 ALA HA H 3.76 0.05 1 149 33 33 ALA C C 177.40 0.5 1 150 33 33 ALA CA C 52.80 0.5 1 151 33 33 ALA CB C 18.59 0.5 1 152 33 33 ALA N N 121.15 0.5 1 153 34 34 ASN H H 8.47 0.05 1 154 34 34 ASN HA H 4.25 0.05 1 155 34 34 ASN C C 174.30 0.5 1 156 34 34 ASN CA C 55.05 0.5 1 157 34 34 ASN CB C 36.50 0.5 1 158 34 34 ASN N N 112.59 0.5 1 159 35 35 THR H H 7.79 0.05 1 160 35 35 THR HA H 4.24 0.05 1 161 35 35 THR C C 176.00 0.5 1 162 35 35 THR CA C 65.43 0.5 1 163 35 35 THR CB C 69.62 0.5 1 164 35 35 THR N N 115.54 0.5 1 165 36 36 GLY H H 8.46 0.05 1 166 36 36 GLY C C 172.10 0.5 1 167 36 36 GLY CA C 44.19 0.5 1 168 36 36 GLY N N 109.86 0.5 1 169 37 37 VAL H H 7.88 0.05 1 170 37 37 VAL HA H 4.05 0.05 1 171 37 37 VAL C C 175.20 0.5 1 172 37 37 VAL CA C 62.24 0.5 1 173 37 37 VAL CB C 32.33 0.5 1 174 37 37 VAL N N 121.28 0.5 1 175 38 38 ILE H H 8.11 0.05 1 176 38 38 ILE HA H 4.29 0.05 1 177 38 38 ILE C C 174.60 0.5 1 178 38 38 ILE CA C 59.96 0.5 1 179 38 38 ILE CB C 40.58 0.5 1 180 38 38 ILE N N 128.07 0.5 1 181 39 39 TYR H H 8.00 0.05 1 182 39 39 TYR HA H 4.93 0.05 1 183 39 39 TYR C C 174.90 0.5 1 184 39 39 TYR CA C 57.63 0.5 1 185 39 39 TYR CB C 40.01 0.5 1 186 39 39 TYR N N 126.39 0.5 1 187 40 40 ARG H H 9.72 0.05 1 188 40 40 ARG HA H 4.96 0.05 1 189 40 40 ARG C C 176.10 0.5 1 190 40 40 ARG CA C 54.96 0.5 1 191 40 40 ARG CB C 34.01 0.5 1 192 40 40 ARG N N 126.14 0.5 1 193 41 41 ARG H H 8.99 0.05 1 194 41 41 ARG HA H 5.68 0.05 1 195 41 41 ARG C C 177.90 0.5 1 196 41 41 ARG CA C 55.89 0.5 1 197 41 41 ARG CB C 32.43 0.5 1 198 41 41 ARG N N 125.88 0.5 1 199 42 42 THR H H 8.86 0.05 1 200 42 42 THR C C 175.30 0.5 1 201 42 42 THR CA C 61.21 0.5 1 202 42 42 THR CB C 67.67 0.5 1 203 42 42 THR N N 111.83 0.5 1 204 43 43 ASP H H 9.76 0.05 1 205 43 43 ASP HA H 4.34 0.05 1 206 43 43 ASP C C 175.40 0.5 1 207 43 43 ASP CA C 54.58 0.5 1 208 43 43 ASP CB C 37.63 0.5 1 209 43 43 ASP N N 120.53 0.5 1 210 44 44 LEU H H 6.32 0.05 1 211 44 44 LEU HA H 4.24 0.05 1 212 44 44 LEU C C 173.90 0.5 1 213 44 44 LEU CA C 53.60 0.5 1 214 44 44 LEU CB C 43.86 0.5 1 215 44 44 LEU N N 121.31 0.5 1 216 45 45 ASN H H 7.96 0.05 1 217 45 45 ASN HA H 4.71 0.05 1 218 45 45 ASN C C 173.10 0.5 1 219 45 45 ASN CA C 49.66 0.5 1 220 45 45 ASN CB C 40.90 0.5 1 221 45 45 ASN N N 117.45 0.5 1 222 47 47 PRO C C 176.50 0.5 1 223 47 47 PRO CA C 63.55 0.5 1 224 47 47 PRO CB C 32.40 0.5 1 225 48 48 VAL H H 7.41 0.05 1 226 48 48 VAL HA H 3.97 0.05 1 227 48 48 VAL C C 173.10 0.5 1 228 48 48 VAL CA C 61.90 0.5 1 229 48 48 VAL CB C 35.30 0.5 1 230 48 48 VAL N N 121.44 0.5 1 231 49 49 ASP H H 7.91 0.05 1 232 49 49 ASP HA H 5.10 0.05 1 233 49 49 ASP C C 175.80 0.5 1 234 49 49 ASP CA C 53.64 0.5 1 235 49 49 ASP CB C 41.86 0.5 1 236 49 49 ASP N N 126.52 0.5 1 237 50 50 PHE H H 9.89 0.05 1 238 50 50 PHE C C 172.90 0.5 1 239 50 50 PHE CA C 54.11 0.5 1 240 50 50 PHE CB C 39.46 0.5 1 241 50 50 PHE N N 120.34 0.5 1 242 51 51 PRO HA H 4.82 0.05 1 243 51 51 PRO C C 177.60 0.5 1 244 51 51 PRO CA C 62.42 0.5 1 245 51 51 PRO CB C 31.53 0.5 1 246 52 52 ALA H H 8.47 0.05 1 247 52 52 ALA HA H 3.98 0.05 1 248 52 52 ALA C C 175.90 0.5 1 249 52 52 ALA CA C 53.99 0.5 1 250 52 52 ALA CB C 16.98 0.5 1 251 52 52 ALA N N 126.77 0.5 1 252 53 53 ASP H H 6.55 0.05 1 253 53 53 ASP HA H 4.67 0.05 1 254 53 53 ASP C C 176.60 0.5 1 255 53 53 ASP CA C 53.88 0.5 1 256 53 53 ASP CB C 43.65 0.5 1 257 53 53 ASP N N 123.91 0.5 1 258 54 54 ALA H H 8.43 0.05 1 259 54 54 ALA HA H 3.62 0.05 1 260 54 54 ALA C C 178.60 0.5 1 261 54 54 ALA CA C 54.94 0.5 1 262 54 54 ALA CB C 18.84 0.5 1 263 54 54 ALA N N 127.16 0.5 1 264 55 55 LYS H H 8.48 0.05 1 265 55 55 LYS HA H 4.21 0.05 1 266 55 55 LYS C C 178.00 0.5 1 267 55 55 LYS CA C 57.77 0.5 1 268 55 55 LYS CB C 31.69 0.5 1 269 55 55 LYS N N 114.28 0.5 1 270 56 56 SER H H 7.60 0.05 1 271 56 56 SER HA H 4.58 0.05 1 272 56 56 SER C C 171.90 0.5 1 273 56 56 SER CA C 58.33 0.5 1 274 56 56 SER CB C 63.58 0.5 1 275 56 56 SER N N 115.84 0.5 1 276 57 57 VAL H H 6.73 0.05 1 277 57 57 VAL HA H 4.70 0.05 1 278 57 57 VAL C C 177.20 0.5 1 279 57 57 VAL CA C 61.75 0.5 1 280 57 57 VAL CB C 33.69 0.5 1 281 57 57 VAL N N 119.88 0.5 1 282 58 58 ARG H H 8.91 0.05 1 283 58 58 ARG HA H 4.64 0.05 1 284 58 58 ARG C C 174.10 0.5 1 285 58 58 ARG CA C 53.81 0.5 1 286 58 58 ARG CB C 32.31 0.5 1 287 58 58 ARG N N 127.68 0.5 1 288 59 59 ASP H H 8.44 0.05 1 289 59 59 ASP HA H 4.97 0.05 1 290 59 59 ASP C C 175.30 0.5 1 291 59 59 ASP CA C 54.12 0.5 1 292 59 59 ASP CB C 43.01 0.5 1 293 59 59 ASP N N 122.09 0.5 1 294 60 60 THR H H 8.19 0.05 1 295 60 60 THR HA H 4.66 0.05 1 296 60 60 THR C C 173.90 0.5 1 297 60 60 THR CA C 60.27 0.5 1 298 60 60 THR CB C 71.31 0.5 1 299 60 60 THR N N 115.71 0.5 1 300 62 62 LEU H H 7.78 0.05 1 301 62 62 LEU HA H 4.23 0.05 1 302 62 62 LEU CA C 59.12 0.5 1 303 62 62 LEU CB C 43.66 0.5 1 304 62 62 LEU N N 115.54 0.5 1 305 63 63 CYS H H 7.18 0.05 1 306 63 63 CYS HA H 5.32 0.05 1 307 63 63 CYS C C 174.00 0.5 1 308 63 63 CYS CA C 56.93 0.5 1 309 63 63 CYS CB C 31.29 0.5 1 310 63 63 CYS N N 109.47 0.5 1 311 64 64 THR H H 9.23 0.05 1 312 64 64 THR HA H 5.01 0.05 1 313 64 64 THR C C 174.00 0.5 1 314 64 64 THR CA C 61.48 0.5 1 315 64 64 THR CB C 70.23 0.5 1 316 64 64 THR N N 116.56 0.5 1 317 65 65 CYS H H 8.80 0.05 1 318 65 65 CYS HA H 5.35 0.05 1 319 65 65 CYS C C 173.30 0.5 1 320 65 65 CYS CA C 55.49 0.5 1 321 65 65 CYS CB C 31.85 0.5 1 322 65 65 CYS N N 118.34 0.5 1 323 66 66 LEU H H 7.76 0.05 1 324 66 66 LEU HA H 5.01 0.05 1 325 66 66 LEU C C 175.90 0.5 1 326 66 66 LEU CA C 53.97 0.5 1 327 66 66 LEU CB C 43.56 0.5 1 328 66 66 LEU N N 119.50 0.5 1 329 67 67 VAL H H 8.11 0.05 1 330 67 67 VAL HA H 5.39 0.05 1 331 67 67 VAL C C 176.30 0.5 1 332 67 67 VAL CA C 59.43 0.5 1 333 67 67 VAL CB C 35.68 0.5 1 334 67 67 VAL N N 115.84 0.5 1 335 68 68 ASN H H 8.38 0.05 1 336 68 68 ASN HA H 5.11 0.05 1 337 68 68 ASN C C 177.40 0.5 1 338 68 68 ASN CA C 50.58 0.5 1 339 68 68 ASN CB C 39.61 0.5 1 340 68 68 ASN N N 123.45 0.5 1 341 69 69 GLU H H 9.03 0.05 1 342 69 69 GLU HA H 5.09 0.05 1 343 69 69 GLU C C 176.30 0.5 1 344 69 69 GLU CA C 58.47 0.5 1 345 69 69 GLU CB C 28.69 0.5 1 346 69 69 GLU N N 117.96 0.5 1 347 70 70 HIS H H 7.55 0.05 1 348 70 70 HIS HA H 4.82 0.05 1 349 70 70 HIS C C 173.90 0.5 1 350 70 70 HIS CA C 54.80 0.5 1 351 70 70 HIS CB C 28.94 0.5 1 352 70 70 HIS N N 118.18 0.5 1 353 71 71 ASP H H 8.14 0.05 1 354 71 71 ASP HA H 4.26 0.05 1 355 71 71 ASP C C 175.10 0.5 1 356 71 71 ASP CA C 56.45 0.5 1 357 71 71 ASP CB C 39.84 0.5 1 358 71 71 ASP N N 116.75 0.5 1 359 72 72 VAL H H 7.67 0.05 1 360 72 72 VAL HA H 4.04 0.05 1 361 72 72 VAL C C 175.20 0.5 1 362 72 72 VAL CA C 63.08 0.5 1 363 72 72 VAL CB C 32.00 0.5 1 364 72 72 VAL N N 121.05 0.5 1 365 73 73 ARG H H 10.07 0.05 1 366 73 73 ARG HA H 4.30 0.05 1 367 73 73 ARG C C 177.00 0.5 1 368 73 73 ARG CA C 55.43 0.5 1 369 73 73 ARG CB C 34.18 0.5 1 370 73 73 ARG N N 119.62 0.5 1 371 76 76 THR H H 8.35 0.05 1 372 76 76 THR HA H 4.13 0.05 1 373 76 76 THR C C 173.70 0.5 1 374 76 76 THR CA C 62.63 0.5 1 375 76 76 THR CB C 65.31 0.5 1 376 76 76 THR N N 115.54 0.5 1 377 77 77 VAL H H 6.35 0.05 1 378 77 77 VAL HA H 3.83 0.05 1 379 77 77 VAL C C 177.90 0.5 1 380 77 77 VAL CA C 62.14 0.5 1 381 77 77 VAL CB C 31.56 0.5 1 382 77 77 VAL N N 110.77 0.5 1 383 78 78 GLU H H 10.00 0.05 1 384 78 78 GLU HA H 5.80 0.05 1 385 78 78 GLU C C 178.20 0.5 1 386 78 78 GLU CA C 58.55 0.5 1 387 78 78 GLU CB C 28.57 0.5 1 388 78 78 GLU N N 118.80 0.5 1 389 79 79 HIS H H 8.24 0.05 1 390 79 79 HIS C C 176.90 0.5 1 391 79 79 HIS CA C 55.73 0.5 1 392 79 79 HIS CB C 30.41 0.5 1 393 79 79 HIS N N 120.77 0.5 1 394 80 80 LEU H H 8.78 0.05 1 395 80 80 LEU HA H 4.26 0.05 1 396 80 80 LEU C C 178.60 0.5 1 397 80 80 LEU CA C 58.18 0.5 1 398 80 80 LEU CB C 39.48 0.5 1 399 80 80 LEU N N 126.06 0.5 1 400 81 81 ASN H H 8.35 0.05 1 401 81 81 ASN HA H 4.28 0.05 1 402 81 81 ASN C C 177.40 0.5 1 403 81 81 ASN CA C 57.35 0.5 1 404 81 81 ASN CB C 37.71 0.5 1 405 81 81 ASN N N 117.92 0.5 1 406 82 82 ALA H H 7.07 0.05 1 407 82 82 ALA HA H 3.65 0.05 1 408 82 82 ALA C C 171.10 0.5 1 409 82 82 ALA CA C 55.10 0.5 1 410 82 82 ALA N N 117.66 0.5 1 411 83 83 ALA H H 7.50 0.05 1 412 83 83 ALA HA H 3.91 0.05 1 413 83 83 ALA CA C 55.72 0.5 1 414 83 83 ALA CB C 27.43 0.5 1 415 83 83 ALA N N 119.61 0.5 1 416 84 84 LEU H H 7.65 0.05 1 417 84 84 LEU HA H 3.46 0.05 1 418 84 84 LEU CA C 61.36 0.5 1 419 84 84 LEU N N 114.92 0.5 1 420 85 85 ALA H H 7.12 0.05 1 421 85 85 ALA C C 181.60 0.5 1 422 85 85 ALA CA C 54.15 0.5 1 423 85 85 ALA CB C 19.99 0.5 1 424 85 85 ALA N N 121.18 0.5 1 425 86 86 GLY H H 7.81 0.05 1 426 86 86 GLY CA C 45.40 0.5 1 427 86 86 GLY N N 103.88 0.5 1 428 87 87 LEU C C 176.30 0.5 1 429 87 87 LEU CA C 53.70 0.5 1 430 87 87 LEU CB C 40.88 0.5 1 431 88 88 GLY H H 7.51 0.0 1 432 88 88 GLY C C 175.00 0.5 1 433 88 88 GLY CA C 47.14 0.5 1 434 88 88 GLY N N 111.03 0.5 1 435 89 89 ILE H H 7.91 0.05 1 436 89 89 ILE HA H 3.37 0.05 1 437 89 89 ILE CA C 60.85 0.5 1 438 89 89 ILE N N 119.34 0.5 1 439 91 91 ASN H H 7.99 0.05 1 440 91 91 ASN HA H 5.58 0.05 1 441 91 91 ASN C C 174.70 0.5 1 442 91 91 ASN CA C 54.78 0.5 1 443 91 91 ASN CB C 34.30 0.5 1 444 91 91 ASN N N 122.74 0.5 1 445 92 92 ILE H H 7.76 0.05 1 446 92 92 ILE HA H 5.58 0.05 1 447 92 92 ILE C C 177.70 0.5 1 448 92 92 ILE CA C 58.77 0.5 1 449 92 92 ILE CB C 40.37 0.5 1 450 92 92 ILE N N 117.96 0.5 1 451 93 93 VAL C C 175.30 0.5 1 452 93 93 VAL CA C 61.61 0.5 1 453 93 93 VAL CB C 34.38 0.5 1 454 94 94 ILE H H 8.96 0.05 1 455 94 94 ILE HA H 4.65 0.05 1 456 94 94 ILE CA C 60.37 0.5 1 457 94 94 ILE CB C 35.96 0.5 1 458 94 94 ILE N N 129.90 0.5 1 459 95 95 GLU H H 9.37 0.05 1 460 95 95 GLU HA H 5.48 0.05 1 461 95 95 GLU C C 176.20 0.5 1 462 95 95 GLU CA C 54.71 0.5 1 463 95 95 GLU CB C 28.52 0.5 1 464 95 95 GLU N N 125.75 0.5 1 465 96 96 VAL H H 8.98 0.05 1 466 96 96 VAL HA H 5.04 0.05 1 467 96 96 VAL C C 174.90 0.5 1 468 96 96 VAL CA C 60.04 0.5 1 469 96 96 VAL CB C 35.83 0.5 1 470 96 96 VAL N N 118.73 0.5 1 471 97 97 ASN H H 8.04 0.05 1 472 97 97 ASN HA H 4.91 0.05 1 473 97 97 ASN C C 174.80 0.5 1 474 97 97 ASN CA C 52.00 0.5 1 475 97 97 ASN CB C 36.80 0.5 1 476 97 97 ASN N N 128.31 0.5 1 477 98 98 ALA H H 7.70 0.05 1 478 98 98 ALA HA H 4.56 0.05 1 479 98 98 ALA C C 174.10 0.5 1 480 98 98 ALA CA C 51.43 0.5 1 481 98 98 ALA N N 121.79 0.5 1 482 99 99 PRO HA H 4.27 0.05 1 483 99 99 PRO C C 175.40 0.5 1 484 99 99 PRO CA C 62.89 0.5 1 485 99 99 PRO CB C 32.17 0.5 1 486 100 100 GLU H H 6.75 0.05 1 487 100 100 GLU HA H 5.06 0.05 1 488 100 100 GLU C C 171.60 0.5 1 489 100 100 GLU CA C 52.62 0.5 1 490 100 100 GLU CB C 32.67 0.5 1 491 100 100 GLU N N 112.85 0.5 1 492 101 101 ILE H H 7.45 0.05 1 493 101 101 ILE HA H 5.07 0.05 1 494 101 101 ILE C C 174.20 0.5 1 495 101 101 ILE CA C 56.68 0.5 1 496 101 101 ILE CB C 37.70 0.5 1 497 101 101 ILE N N 120.90 0.5 1 498 102 102 PRO C C 176.70 0.5 1 499 102 102 PRO CA C 63.24 0.5 1 500 102 102 PRO CB C 32.48 0.5 1 501 103 103 ILE H H 8.40 0.05 1 502 103 103 ILE HA H 4.58 0.05 1 503 103 103 ILE C C 176.80 0.5 1 504 103 103 ILE CA C 58.08 0.5 1 505 103 103 ILE CB C 40.78 0.5 1 506 103 103 ILE N N 120.55 0.5 1 507 104 104 MET H H 8.39 0.05 1 508 104 104 MET HA H 4.22 0.05 1 509 104 104 MET C C 174.20 0.5 1 510 104 104 MET CA C 55.31 0.5 1 511 104 104 MET CB C 27.22 0.5 1 512 104 104 MET N N 122.18 0.5 1 513 105 105 ASP H H 7.01 0.05 1 514 105 105 ASP HA H 5.10 0.05 1 515 105 105 ASP C C 175.70 0.5 1 516 105 105 ASP CA C 53.04 0.5 1 517 105 105 ASP CB C 40.71 0.5 1 518 105 105 ASP N N 120.81 0.5 1 519 106 106 GLY H H 7.82 0.05 1 520 106 106 GLY C C 173.90 0.5 1 521 106 106 GLY CA C 46.48 0.5 1 522 106 106 GLY N N 103.87 0.5 1 523 107 107 SER H H 8.53 0.05 1 524 107 107 SER HA H 4.80 0.05 1 525 107 107 SER C C 175.00 0.5 1 526 107 107 SER CA C 56.67 0.5 1 527 107 107 SER CB C 66.51 0.5 1 528 107 107 SER N N 119.18 0.5 1 529 108 108 ALA H H 7.99 0.05 1 530 108 108 ALA HA H 3.81 0.05 1 531 108 108 ALA C C 177.60 0.5 1 532 108 108 ALA CA C 52.12 0.5 1 533 108 108 ALA CB C 21.58 0.5 1 534 108 108 ALA N N 118.47 0.5 1 535 109 109 ALA H H 8.35 0.05 1 536 109 109 ALA HA H 3.68 0.05 1 537 109 109 ALA C C 174.90 0.5 1 538 109 109 ALA CA C 57.05 0.5 1 539 109 109 ALA CB C 16.34 0.5 1 540 109 109 ALA N N 127.81 0.5 1 541 110 110 PRO C C 179.30 0.5 1 542 110 110 PRO CA C 65.82 0.5 1 543 110 110 PRO CB C 31.05 0.5 1 544 111 111 PHE H H 6.68 0.05 1 545 111 111 PHE HA H 4.40 0.05 1 546 111 111 PHE C C 177.10 0.5 1 547 111 111 PHE CA C 59.26 0.5 1 548 111 111 PHE CB C 38.02 0.5 1 549 111 111 PHE N N 112.20 0.5 1 550 112 112 VAL H H 7.74 0.05 1 551 112 112 VAL C C 177.10 0.5 1 552 112 112 VAL CA C 67.54 0.5 1 553 112 112 VAL CB C 31.47 0.5 1 554 112 112 VAL N N 120.79 0.5 1 555 113 113 TYR H H 7.86 0.05 1 556 113 113 TYR HA H 4.17 0.05 1 557 113 113 TYR C C 178.40 0.5 1 558 113 113 TYR CA C 60.81 0.5 1 559 113 113 TYR CB C 36.27 0.5 1 560 113 113 TYR N N 116.49 0.5 1 561 114 114 LEU H H 7.27 0.05 1 562 114 114 LEU HA H 4.16 0.05 1 563 114 114 LEU C C 178.30 0.5 1 564 114 114 LEU CA C 58.06 0.5 1 565 114 114 LEU CB C 42.94 0.5 1 566 114 114 LEU N N 120.53 0.5 1 567 115 115 LEU CA C 57.62 0.5 1 568 116 116 LEU C C 180.20 0.5 1 569 116 116 LEU CA C 56.91 0.5 1 570 116 116 LEU CB C 40.89 0.5 1 571 117 117 ASP H H 7.95 0.05 1 572 117 117 ASP HA H 4.33 0.05 1 573 117 117 ASP C C 178.50 0.5 1 574 117 117 ASP CA C 56.91 0.5 1 575 117 117 ASP CB C 40.74 0.5 1 576 117 117 ASP N N 121.41 0.5 1 577 118 118 ALA H H 7.79 0.05 1 578 118 118 ALA HA H 3.85 0.05 1 579 118 118 ALA C C 179.00 0.5 1 580 118 118 ALA CA C 54.48 0.5 1 581 118 118 ALA CB C 19.79 0.5 1 582 118 118 ALA N N 123.00 0.5 1 583 119 119 GLY H H 7.53 0.05 1 584 119 119 GLY HA2 H 4.20 0.05 1 585 119 119 GLY C C 172.20 0.5 1 586 119 119 GLY CA C 43.64 0.5 1 587 119 119 GLY N N 105.04 0.5 1 588 120 120 ILE H H 8.39 0.05 1 589 120 120 ILE HA H 4.60 0.05 1 590 120 120 ILE C C 175.20 0.5 1 591 120 120 ILE CA C 60.50 0.5 1 592 120 120 ILE CB C 38.38 0.5 1 593 120 120 ILE N N 122.30 0.5 1 594 122 122 GLU H H 8.02 0.05 1 595 122 122 GLU HA H 5.00 0.05 1 596 122 122 GLU C C 176.10 0.5 1 597 122 122 GLU CA C 55.43 0.5 1 598 122 122 GLU CB C 31.57 0.5 1 599 122 122 GLU N N 121.44 0.5 1 600 123 123 LEU H H 8.74 0.05 1 601 123 123 LEU HA H 4.70 0.05 1 602 123 123 LEU C C 176.90 0.5 1 603 123 123 LEU CA C 53.01 0.5 1 604 123 123 LEU CB C 44.15 0.5 1 605 123 123 LEU N N 125.24 0.5 1 606 124 124 ASN H H 8.39 0.05 1 607 124 124 ASN HA H 4.65 0.05 1 608 124 124 ASN C C 175.00 0.5 1 609 124 124 ASN CA C 52.93 0.5 1 610 124 124 ASN CB C 36.53 0.5 1 611 124 124 ASN N N 119.10 0.5 1 612 125 125 CYS H H 8.37 0.05 1 613 125 125 CYS HA H 4.32 0.05 1 614 125 125 CYS C C 173.50 0.5 1 615 125 125 CYS CA C 58.68 0.5 1 616 125 125 CYS CB C 29.20 0.5 1 617 125 125 CYS N N 121.41 0.5 1 618 126 126 ALA H H 8.90 0.05 1 619 126 126 ALA HA H 4.33 0.05 1 620 126 126 ALA C C 178.30 0.5 1 621 126 126 ALA CA C 53.99 0.5 1 622 126 126 ALA CB C 18.11 0.5 1 623 126 126 ALA N N 130.81 0.5 1 624 127 127 LYS H H 8.58 0.05 1 625 127 127 LYS HA H 4.37 0.05 1 626 127 127 LYS C C 174.90 0.5 1 627 127 127 LYS CA C 56.60 0.5 1 628 127 127 LYS CB C 34.06 0.5 1 629 127 127 LYS N N 126.77 0.5 1 630 128 128 LYS H H 9.29 0.05 1 631 128 128 LYS HA H 4.78 0.05 1 632 128 128 LYS C C 176.40 0.5 1 633 128 128 LYS CA C 55.59 0.5 1 634 128 128 LYS CB C 33.55 0.5 1 635 128 128 LYS N N 127.67 0.5 1 636 129 129 PHE H H 9.40 0.05 1 637 129 129 PHE C C 175.40 0.5 1 638 129 129 PHE CA C 56.46 0.5 1 639 129 129 PHE CB C 41.06 0.5 1 640 129 129 PHE N N 124.57 0.5 1 641 130 130 VAL H H 8.39 0.05 1 642 130 130 VAL HA H 4.27 0.05 1 643 130 130 VAL C C 173.60 0.5 1 644 130 130 VAL CA C 62.61 0.5 1 645 130 130 VAL CB C 33.40 0.5 1 646 130 130 VAL N N 123.00 0.5 1 647 131 131 ARG H H 9.65 0.05 1 648 131 131 ARG HA H 5.00 0.05 1 649 131 131 ARG C C 175.40 0.5 1 650 131 131 ARG CA C 55.20 0.5 1 651 131 131 ARG CB C 33.66 0.5 1 652 131 131 ARG N N 130.00 0.5 1 653 132 132 ILE H H 8.07 0.05 1 654 132 132 ILE HA H 4.20 0.05 1 655 132 132 ILE C C 177.10 0.5 1 656 132 132 ILE CA C 59.62 0.5 1 657 132 132 ILE CB C 35.94 0.5 1 658 132 132 ILE N N 126.01 0.5 1 659 133 133 LYS H H 9.31 0.05 1 660 133 133 LYS HA H 4.44 0.05 1 661 133 133 LYS C C 175.60 0.5 1 662 133 133 LYS CA C 57.06 0.5 1 663 133 133 LYS CB C 34.61 0.5 1 664 133 133 LYS N N 126.26 0.5 1 665 134 134 GLU H H 7.45 0.05 1 666 134 134 GLU HA H 4.60 0.05 1 667 134 134 GLU C C 173.20 0.5 1 668 134 134 GLU CA C 54.49 0.5 1 669 134 134 GLU CB C 33.97 0.5 1 670 134 134 GLU N N 118.31 0.5 1 671 135 135 THR H H 8.15 0.05 1 672 135 135 THR HA H 5.04 0.05 1 673 135 135 THR C C 175.30 0.5 1 674 135 135 THR CA C 63.66 0.5 1 675 135 135 THR CB C 68.92 0.5 1 676 135 135 THR N N 116.17 0.5 1 677 136 136 VAL H H 8.86 0.05 1 678 136 136 VAL HA H 4.26 0.05 1 679 136 136 VAL C C 172.50 0.5 1 680 136 136 VAL CA C 62.37 0.5 1 681 136 136 VAL CB C 36.10 0.5 1 682 136 136 VAL N N 129.51 0.5 1 683 137 137 ARG H H 8.52 0.05 1 684 137 137 ARG HA H 5.43 0.05 1 685 137 137 ARG C C 175.40 0.5 1 686 137 137 ARG CA C 54.71 0.5 1 687 137 137 ARG CB C 34.51 0.5 1 688 137 137 ARG N N 128.05 0.5 1 689 138 138 VAL H H 8.96 0.05 1 690 138 138 VAL HA H 4.74 0.05 1 691 138 138 VAL CA C 60.16 0.5 1 692 138 138 VAL CB C 35.50 0.5 1 693 138 138 VAL N N 119.49 0.5 1 694 139 139 GLU H H 8.29 0.05 1 695 139 139 GLU HA H 4.78 0.05 1 696 139 139 GLU C C 175.70 0.5 1 697 139 139 GLU CA C 54.89 0.5 1 698 139 139 GLU CB C 33.92 0.5 1 699 139 139 GLU N N 119.34 0.5 1 700 140 140 ASP H H 8.53 0.05 1 701 140 140 ASP HA H 4.07 0.05 1 702 140 140 ASP C C 176.30 0.5 1 703 140 140 ASP CA C 53.87 0.5 1 704 140 140 ASP CB C 42.56 0.5 1 705 140 140 ASP N N 121.70 0.5 1 706 141 141 GLY H H 8.98 0.05 1 707 141 141 GLY HA2 H 4.64 0.05 1 708 141 141 GLY C C 174.70 0.5 1 709 141 141 GLY CA C 47.38 0.5 1 710 141 141 GLY N N 117.01 0.5 1 711 142 142 ASP H H 8.84 0.05 1 712 142 142 ASP HA H 4.57 0.05 1 713 142 142 ASP C C 174.90 0.5 1 714 142 142 ASP CA C 54.34 0.5 1 715 142 142 ASP CB C 40.03 0.5 1 716 142 142 ASP N N 127.81 0.5 1 717 143 143 LYS H H 7.79 0.05 1 718 143 143 LYS HA H 4.58 0.05 1 719 143 143 LYS C C 176.90 0.5 1 720 143 143 LYS CA C 55.43 0.5 1 721 143 143 LYS CB C 34.25 0.5 1 722 143 143 LYS N N 119.34 0.5 1 723 144 144 TRP H H 8.45 0.05 1 724 144 144 TRP HA H 5.30 0.05 1 725 144 144 TRP C C 178.50 0.5 1 726 144 144 TRP CA C 56.55 0.5 1 727 144 144 TRP CB C 31.91 0.5 1 728 144 144 TRP N N 117.58 0.5 1 729 145 145 ALA H H 8.77 0.05 1 730 145 145 ALA HA H 4.84 0.05 1 731 145 145 ALA C C 174.50 0.5 1 732 145 145 ALA CA C 52.15 0.5 1 733 145 145 ALA CB C 21.58 0.5 1 734 145 145 ALA N N 120.64 0.5 1 735 146 146 GLU H H 9.25 0.05 1 736 146 146 GLU HA H 5.67 0.05 1 737 146 146 GLU C C 174.30 0.5 1 738 146 146 GLU CA C 55.21 0.5 1 739 146 146 GLU CB C 36.25 0.5 1 740 146 146 GLU N N 123.00 0.5 1 741 147 147 PHE H H 9.24 0.05 1 742 147 147 PHE HA H 5.64 0.05 1 743 147 147 PHE C C 175.30 0.5 1 744 147 147 PHE CA C 56.92 0.5 1 745 147 147 PHE CB C 44.73 0.5 1 746 147 147 PHE N N 124.56 0.5 1 747 148 148 LYS H H 9.18 0.05 1 748 148 148 LYS HA H 5.03 0.05 1 749 148 148 LYS C C 173.50 0.5 1 750 148 148 LYS CA C 54.24 0.5 1 751 148 148 LYS CB C 35.19 0.5 1 752 148 148 LYS N N 118.09 0.5 1 753 149 149 PRO HA H 4.50 0.05 1 754 149 149 PRO C C 176.50 0.5 1 755 149 149 PRO CA C 63.25 0.5 1 756 149 149 PRO CB C 31.26 0.5 1 757 150 150 TYR H H 9.05 0.05 1 758 150 150 TYR HA H 4.40 0.05 1 759 150 150 TYR C C 173.30 0.5 1 760 150 150 TYR CA C 58.33 0.5 1 761 150 150 TYR CB C 41.81 0.5 1 762 150 150 TYR N N 124.82 0.5 1 763 151 151 ASN H H 7.84 0.05 1 764 151 151 ASN HA H 4.63 0.05 1 765 151 151 ASN C C 173.10 0.5 1 766 151 151 ASN CA C 52.01 0.5 1 767 151 151 ASN CB C 36.29 0.5 1 768 151 151 ASN N N 125.86 0.5 1 769 152 152 GLY H H 7.77 0.05 1 770 152 152 GLY C C 170.40 0.5 1 771 152 152 GLY CA C 44.93 0.5 1 772 152 152 GLY N N 111.32 0.5 1 773 153 153 PHE H H 8.76 0.05 1 774 153 153 PHE C C 172.80 0.5 1 775 153 153 PHE CA C 56.05 0.5 1 776 153 153 PHE CB C 40.21 0.5 1 777 153 153 PHE N N 121.41 0.5 1 778 154 154 SER H H 8.11 0.05 1 779 154 154 SER HA H 5.14 0.05 1 780 154 154 SER C C 172.20 0.5 1 781 154 154 SER CA C 56.22 0.5 1 782 154 154 SER CB C 65.41 0.5 1 783 154 154 SER N N 122.48 0.5 1 784 155 155 LEU H H 8.48 0.05 1 785 155 155 LEU HA H 5.65 0.05 1 786 155 155 LEU C C 175.40 0.5 1 787 155 155 LEU CA C 55.82 0.5 1 788 155 155 LEU CB C 46.45 0.5 1 789 155 155 LEU N N 120.01 0.5 1 790 156 156 ASP H H 7.90 0.05 1 791 156 156 ASP HA H 4.99 0.05 1 792 156 156 ASP C C 174.00 0.5 1 793 156 156 ASP CA C 53.90 0.5 1 794 156 156 ASP CB C 43.00 0.5 1 795 156 156 ASP N N 123.58 0.5 1 796 157 157 PHE H H 9.21 0.05 1 797 157 157 PHE HA H 4.93 0.05 1 798 157 157 PHE C C 173.70 0.5 1 799 157 157 PHE CA C 57.38 0.5 1 800 157 157 PHE CB C 45.37 0.5 1 801 157 157 PHE N N 129.46 0.5 1 802 158 158 THR H H 7.26 0.05 1 803 158 158 THR HA H 5.29 0.05 1 804 158 158 THR C C 173.10 0.5 1 805 158 158 THR CA C 61.93 0.5 1 806 158 158 THR CB C 71.18 0.5 1 807 158 158 THR N N 123.26 0.5 1 808 159 159 ILE H H 8.91 0.05 1 809 159 159 ILE C C 172.10 0.5 1 810 159 159 ILE CA C 61.13 0.5 1 811 159 159 ILE CB C 40.61 0.5 1 812 159 159 ILE N N 124.60 0.5 1 813 160 160 ASP H H 7.84 0.05 1 814 160 160 ASP HA H 4.21 0.05 1 815 160 160 ASP C C 177.80 0.5 1 816 160 160 ASP CA C 53.17 0.5 1 817 160 160 ASP CB C 40.82 0.5 1 818 160 160 ASP N N 121.67 0.5 1 819 161 161 PHE H H 8.15 0.05 1 820 161 161 PHE HA H 4.58 0.05 1 821 161 161 PHE C C 174.00 0.5 1 822 161 161 PHE CA C 57.85 0.5 1 823 161 161 PHE CB C 40.11 0.5 1 824 161 161 PHE N N 123.71 0.5 1 825 162 162 ASN H H 8.41 0.05 1 826 162 162 ASN HA H 4.63 0.05 1 827 162 162 ASN C C 173.00 0.5 1 828 162 162 ASN CA C 52.72 0.5 1 829 162 162 ASN CB C 38.31 0.5 1 830 162 162 ASN N N 124.06 0.5 1 831 163 163 HIS H H 8.09 0.05 1 832 163 163 HIS HA H 4.48 0.05 1 833 163 163 HIS C C 174.20 0.5 1 834 163 163 HIS CA C 66.77 0.5 1 835 163 163 HIS CB C 34.11 0.5 1 836 163 163 HIS N N 122.05 0.5 1 837 164 164 PRO C C 177.40 0.5 1 838 164 164 PRO CA C 65.03 0.5 1 839 164 164 PRO CB C 32.20 0.5 1 840 165 165 ALA H H 10.74 0.05 1 841 165 165 ALA HA H 4.35 0.05 1 842 165 165 ALA C C 177.00 0.5 1 843 165 165 ALA CA C 53.01 0.5 1 844 165 165 ALA CB C 18.80 0.5 1 845 165 165 ALA N N 122.48 0.5 1 846 166 166 ILE H H 7.87 0.05 1 847 166 166 ILE HA H 4.05 0.05 1 848 166 166 ILE C C 175.10 0.5 1 849 166 166 ILE CA C 60.56 0.5 1 850 166 166 ILE CB C 38.03 0.5 1 851 166 166 ILE N N 120.14 0.5 1 852 167 167 ASP H H 8.80 0.05 1 853 167 167 ASP HA H 4.58 0.05 1 854 167 167 ASP C C 178.00 0.5 1 855 167 167 ASP CA C 54.57 0.5 1 856 167 167 ASP CB C 42.28 0.5 1 857 167 167 ASP N N 126.77 0.5 1 858 168 168 SER H H 8.39 0.05 1 859 168 168 SER HA H 4.23 0.05 1 860 168 168 SER C C 173.90 0.5 1 861 168 168 SER CA C 61.37 0.5 1 862 168 168 SER CB C 62.77 0.5 1 863 168 168 SER N N 116.90 0.5 1 864 169 169 SER H H 8.53 0.05 1 865 169 169 SER HA H 4.38 0.05 1 866 169 169 SER C C 174.90 0.5 1 867 169 169 SER CA C 60.55 0.5 1 868 169 169 SER CB C 62.91 0.5 1 869 169 169 SER N N 119.00 0.5 1 870 170 170 ASN H H 8.01 0.05 1 871 170 170 ASN HA H 5.12 0.05 1 872 170 170 ASN C C 173.80 0.5 1 873 170 170 ASN CA C 53.87 0.5 1 874 170 170 ASN CB C 39.79 0.5 1 875 170 170 ASN N N 119.49 0.5 1 876 171 171 GLN H H 7.46 0.05 1 877 171 171 GLN HA H 4.35 0.05 1 878 171 171 GLN C C 174.00 0.5 1 879 171 171 GLN CA C 57.02 0.5 1 880 171 171 GLN CB C 29.19 0.5 1 881 171 171 GLN N N 116.10 0.5 1 882 172 172 ARG H H 7.48 0.05 1 883 172 172 ARG HA H 5.70 0.05 1 884 172 172 ARG C C 174.40 0.5 1 885 172 172 ARG CA C 54.48 0.5 1 886 172 172 ARG CB C 33.44 0.5 1 887 172 172 ARG N N 118.09 0.5 1 888 173 173 TYR H H 8.76 0.05 1 889 173 173 TYR HA H 4.56 0.05 1 890 173 173 TYR C C 171.30 0.5 1 891 173 173 TYR CA C 58.32 0.5 1 892 173 173 TYR CB C 43.02 0.5 1 893 173 173 TYR N N 126.64 0.5 1 894 174 174 ALA H H 7.21 0.05 1 895 174 174 ALA HA H 5.22 0.05 1 896 174 174 ALA C C 175.00 0.5 1 897 174 174 ALA CA C 50.51 0.5 1 898 174 174 ALA CB C 21.10 0.5 1 899 174 174 ALA N N 128.72 0.5 1 900 175 175 MET H H 8.87 0.05 1 901 175 175 MET HA H 4.48 0.05 1 902 175 175 MET C C 173.80 0.5 1 903 175 175 MET CA C 55.18 0.5 1 904 175 175 MET CB C 36.82 0.5 1 905 175 175 MET N N 117.79 0.5 1 906 176 176 ASN H H 8.53 0.05 1 907 176 176 ASN HA H 4.85 0.05 1 908 176 176 ASN C C 174.60 0.5 1 909 176 176 ASN CA C 52.95 0.5 1 910 176 176 ASN CB C 38.30 0.5 1 911 176 176 ASN N N 123.96 0.5 1 912 177 177 PHE H H 9.05 0.05 1 913 177 177 PHE HA H 3.80 0.05 1 914 177 177 PHE C C 174.30 0.5 1 915 177 177 PHE CA C 61.45 0.5 1 916 177 177 PHE CB C 41.11 0.5 1 917 177 177 PHE N N 126.38 0.5 1 918 178 178 SER H H 6.15 0.05 1 919 178 178 SER C C 173.50 0.5 1 920 178 178 SER CA C 57.39 0.5 1 921 178 178 SER CB C 65.31 0.5 1 922 178 178 SER N N 116.68 0.5 1 923 179 179 ALA H H 9.17 0.05 1 924 179 179 ALA HA H 4.45 0.05 1 925 179 179 ALA C C 179.80 0.5 1 926 179 179 ALA CA C 56.38 0.5 1 927 179 179 ALA CB C 17.88 0.5 1 928 179 179 ALA N N 126.01 0.5 1 929 180 180 ASP H H 8.48 0.05 1 930 180 180 ASP HA H 4.28 0.05 1 931 180 180 ASP C C 177.90 0.5 1 932 180 180 ASP CA C 57.86 0.5 1 933 180 180 ASP CB C 41.31 0.5 1 934 180 180 ASP N N 117.73 0.5 1 935 181 181 ALA H H 7.82 0.05 1 936 181 181 ALA HA H 3.90 0.05 1 937 181 181 ALA C C 180.50 0.5 1 938 181 181 ALA CA C 55.18 0.5 1 939 181 181 ALA CB C 18.10 0.5 1 940 181 181 ALA N N 122.09 0.5 1 941 182 182 PHE H H 8.53 0.05 1 942 182 182 PHE HA H 3.79 0.05 1 943 182 182 PHE C C 177.60 0.5 1 944 182 182 PHE CA C 61.45 0.5 1 945 182 182 PHE CB C 38.35 0.5 1 946 182 182 PHE N N 118.71 0.5 1 947 183 183 MET H H 8.54 0.05 1 948 183 183 MET HA H 3.43 0.05 1 949 183 183 MET C C 178.40 0.5 1 950 183 183 MET CA C 60.73 0.5 1 951 183 183 MET CB C 33.29 0.5 1 952 183 183 MET N N 119.61 0.5 1 953 184 184 ARG H H 8.37 0.05 1 954 184 184 ARG HA H 4.09 0.05 1 955 184 184 ARG C C 178.50 0.5 1 956 184 184 ARG CA C 59.38 0.5 1 957 184 184 ARG CB C 31.39 0.5 1 958 184 184 ARG N N 117.40 0.5 1 959 185 185 GLN H H 8.61 0.05 1 960 185 185 GLN HA H 4.29 0.05 1 961 185 185 GLN C C 176.90 0.5 1 962 185 185 GLN CA C 56.60 0.5 1 963 185 185 GLN CB C 29.13 0.5 1 964 185 185 GLN N N 113.89 0.5 1 965 186 186 ILE H H 6.68 0.05 1 966 186 186 ILE HA H 4.09 0.05 1 967 186 186 ILE C C 177.10 0.5 1 968 186 186 ILE CA C 60.20 0.5 1 969 186 186 ILE CB C 38.54 0.5 1 970 186 186 ILE N N 111.81 0.5 1 971 187 187 SER H H 7.69 0.05 1 972 187 187 SER HA H 4.62 0.05 1 973 187 187 SER C C 173.90 0.5 1 974 187 187 SER CA C 63.02 0.5 1 975 187 187 SER CB C 62.31 0.5 1 976 187 187 SER N N 113.75 0.5 1 977 188 188 ARG H H 7.77 0.05 1 978 188 188 ARG HA H 4.32 0.05 1 979 188 188 ARG C C 175.60 0.5 1 980 188 188 ARG CA C 56.36 0.5 1 981 188 188 ARG CB C 30.74 0.5 1 982 188 188 ARG N N 117.27 0.5 1 983 189 189 ALA H H 7.84 0.05 1 984 189 189 ALA HA H 4.43 0.05 1 985 189 189 ALA C C 177.60 0.5 1 986 189 189 ALA CA C 52.85 0.5 1 987 189 189 ALA CB C 18.67 0.5 1 988 189 189 ALA N N 123.45 0.5 1 989 190 190 ARG H H 10.43 0.05 1 990 190 190 ARG HA H 3.78 0.05 1 991 190 190 ARG C C 174.50 0.5 1 992 190 190 ARG CA C 56.34 0.5 1 993 190 190 ARG CB C 34.05 0.5 1 994 190 190 ARG N N 131.37 0.5 1 995 191 191 THR H H 6.06 0.05 1 996 191 191 THR HA H 3.17 0.05 1 997 191 191 THR C C 170.40 0.5 1 998 191 191 THR CA C 61.23 0.5 1 999 191 191 THR CB C 67.75 0.5 1 1000 191 191 THR N N 110.43 0.5 1 1001 192 192 PHE H H 6.69 0.05 1 1002 192 192 PHE HA H 5.80 0.05 1 1003 192 192 PHE C C 172.10 0.5 1 1004 192 192 PHE CA C 53.63 0.5 1 1005 192 192 PHE CB C 43.56 0.5 1 1006 192 192 PHE N N 115.15 0.5 1 1007 193 193 GLY H H 8.10 0.05 1 1008 193 193 GLY HA2 H 5.10 0.05 1 1009 193 193 GLY C C 171.50 0.5 1 1010 193 193 GLY CA C 43.64 0.5 1 1011 193 193 GLY N N 103.53 0.5 1 1012 194 194 PHE H H 9.04 0.05 1 1013 194 194 PHE HA H 5.29 0.05 1 1014 194 194 PHE C C 178.50 0.5 1 1015 194 194 PHE CA C 56.42 0.5 1 1016 194 194 PHE CB C 39.48 0.5 1 1017 194 194 PHE N N 118.34 0.5 1 1018 195 195 MET H H 9.22 0.05 1 1019 195 195 MET HA H 5.31 0.05 1 1020 195 195 MET C C 177.70 0.5 1 1021 195 195 MET CA C 58.71 0.5 1 1022 195 195 MET CB C 32.77 0.5 1 1023 195 195 MET N N 126.51 0.5 1 1024 196 196 ARG H H 9.04 0.05 1 1025 196 196 ARG HA H 4.20 0.05 1 1026 196 196 ARG C C 179.10 0.5 1 1027 196 196 ARG CA C 59.31 0.5 1 1028 196 196 ARG CB C 29.35 0.5 1 1029 196 196 ARG N N 116.56 0.5 1 1030 197 197 ASP H H 7.08 0.05 1 1031 197 197 ASP HA H 4.63 0.05 1 1032 197 197 ASP C C 177.90 0.5 1 1033 197 197 ASP CA C 57.16 0.5 1 1034 197 197 ASP CB C 40.07 0.5 1 1035 197 197 ASP N N 120.27 0.5 1 1036 198 198 ILE H H 8.10 0.05 1 1037 198 198 ILE HA H 4.20 0.05 1 1038 198 198 ILE CA C 67.00 0.5 1 1039 198 198 ILE CB C 38.65 0.5 1 1040 198 198 ILE N N 122.05 0.5 1 1041 199 199 GLU H H 8.25 0.05 1 1042 199 199 GLU HA H 3.96 0.05 1 1043 199 199 GLU C C 178.90 0.5 1 1044 199 199 GLU CA C 59.71 0.5 1 1045 199 199 GLU CB C 29.47 0.5 1 1046 199 199 GLU N N 117.48 0.5 1 1047 200 200 TYR H H 7.83 0.05 1 1048 200 200 TYR HA H 4.02 0.05 1 1049 200 200 TYR C C 178.90 0.5 1 1050 200 200 TYR CA C 61.94 0.5 1 1051 200 200 TYR CB C 37.71 0.5 1 1052 200 200 TYR N N 121.05 0.5 1 1053 201 201 LEU H H 8.61 0.05 1 1054 201 201 LEU C C 180.10 0.5 1 1055 201 201 LEU CA C 58.40 0.5 1 1056 201 201 LEU CB C 41.72 0.5 1 1057 201 201 LEU N N 121.15 0.5 1 1058 202 202 GLN H H 8.73 0.05 1 1059 202 202 GLN HA H 4.60 0.05 1 1060 202 202 GLN C C 181.20 0.5 1 1061 202 202 GLN CA C 59.45 0.5 1 1062 202 202 GLN CB C 26.26 0.5 1 1063 202 202 GLN N N 119.75 0.5 1 1064 203 203 SER H H 7.92 0.05 1 1065 203 203 SER C C 174.90 0.5 1 1066 203 203 SER CA C 61.37 0.5 1 1067 203 203 SER CB C 62.32 0.5 1 1068 203 203 SER N N 118.09 0.5 1 1069 204 204 ARG H H 7.20 0.05 1 1070 204 204 ARG HA H 4.38 0.05 1 1071 204 204 ARG C C 176.10 0.5 1 1072 204 204 ARG CA C 54.98 0.5 1 1073 204 204 ARG CB C 29.90 0.5 1 1074 204 204 ARG N N 120.66 0.5 1 1075 205 205 GLY H H 7.72 0.05 1 1076 205 205 GLY HA2 H 4.55 0.05 1 1077 205 205 GLY C C 172.90 0.5 1 1078 205 205 GLY CA C 46.00 0.5 1 1079 205 205 GLY N N 108.00 0.5 1 1080 206 206 LEU H H 7.95 0.05 1 1081 206 206 LEU HA H 4.55 0.05 1 1082 206 206 LEU C C 174.50 0.5 1 1083 206 206 LEU CA C 52.88 0.5 1 1084 206 206 LEU CB C 44.36 0.5 1 1085 206 206 LEU N N 121.28 0.5 1 1086 207 207 CYS H H 9.56 0.05 1 1087 207 207 CYS C C 177.90 0.5 1 1088 207 207 CYS CA C 59.73 0.5 1 1089 207 207 CYS CB C 27.63 0.5 1 1090 207 207 CYS N N 119.37 0.5 1 1091 208 208 LEU H H 7.46 0.05 1 1092 208 208 LEU HA H 3.79 0.05 1 1093 208 208 LEU C C 178.60 0.5 1 1094 208 208 LEU CA C 57.23 0.5 1 1095 208 208 LEU CB C 40.76 0.5 1 1096 208 208 LEU N N 117.79 0.5 1 1097 209 209 GLY H H 8.66 0.05 1 1098 209 209 GLY HA2 H 3.79 0.05 1 1099 209 209 GLY C C 173.10 0.5 1 1100 209 209 GLY CA C 44.56 0.5 1 1101 209 209 GLY N N 106.72 0.5 1 1102 210 210 GLY H H 7.44 0.05 1 1103 210 210 GLY C C 171.30 0.5 1 1104 210 210 GLY CA C 46.90 0.5 1 1105 210 210 GLY N N 106.47 0.5 1 1106 211 211 SER H H 7.57 0.05 1 1107 211 211 SER C C 173.30 0.5 1 1108 211 211 SER CA C 57.84 0.5 1 1109 211 211 SER CB C 65.19 0.5 1 1110 211 211 SER N N 120.01 0.5 1 1111 212 212 PHE H H 8.01 0.05 1 1112 212 212 PHE HA H 4.46 0.05 1 1113 212 212 PHE C C 175.80 0.5 1 1114 212 212 PHE CA C 59.50 0.5 1 1115 212 212 PHE CB C 38.05 0.5 1 1116 212 212 PHE N N 117.19 0.5 1 1117 213 213 ASP H H 8.04 0.05 1 1118 213 213 ASP HA H 4.43 0.05 1 1119 213 213 ASP C C 177.20 0.5 1 1120 213 213 ASP CA C 55.75 0.5 1 1121 213 213 ASP CB C 40.65 0.5 1 1122 213 213 ASP N N 114.51 0.5 1 1123 214 214 CYS H H 7.57 0.05 1 1124 214 214 CYS HA H 4.80 0.05 1 1125 214 214 CYS C C 169.90 0.5 1 1126 214 214 CYS CA C 55.25 0.5 1 1127 214 214 CYS CB C 32.11 0.5 1 1128 214 214 CYS N N 113.88 0.5 1 1129 215 215 ALA H H 6.89 0.05 1 1130 215 215 ALA HA H 4.07 0.05 1 1131 215 215 ALA C C 176.00 0.5 1 1132 215 215 ALA CA C 52.27 0.5 1 1133 215 215 ALA CB C 22.20 0.5 1 1134 215 215 ALA N N 117.01 0.5 1 1135 216 216 ILE H H 8.27 0.05 1 1136 216 216 ILE C C 174.70 0.5 1 1137 216 216 ILE CA C 62.28 0.5 1 1138 216 216 ILE CB C 38.57 0.5 1 1139 216 216 ILE N N 119.55 0.5 1 1140 217 217 VAL H H 9.55 0.05 1 1141 217 217 VAL HA H 4.83 0.05 1 1142 217 217 VAL C C 175.40 0.5 1 1143 217 217 VAL CA C 61.43 0.5 1 1144 217 217 VAL CB C 33.20 0.5 1 1145 217 217 VAL N N 130.29 0.5 1 1146 218 218 VAL H H 8.35 0.05 1 1147 218 218 VAL HA H 5.34 0.05 1 1148 218 218 VAL C C 176.90 0.5 1 1149 218 218 VAL CA C 58.39 0.5 1 1150 218 218 VAL CB C 34.68 0.5 1 1151 218 218 VAL N N 119.61 0.5 1 1152 219 219 ASP H H 8.42 0.05 1 1153 219 219 ASP HA H 5.39 0.05 1 1154 219 219 ASP C C 176.60 0.5 1 1155 219 219 ASP CA C 52.72 0.5 1 1156 219 219 ASP CB C 39.91 0.5 1 1157 219 219 ASP N N 123.45 0.5 1 1158 220 220 ASP H H 7.99 0.05 1 1159 220 220 ASP HA H 4.46 0.05 1 1160 220 220 ASP C C 175.30 0.5 1 1161 220 220 ASP CA C 57.38 0.5 1 1162 220 220 ASP CB C 40.21 0.5 1 1163 220 220 ASP N N 115.32 0.5 1 1164 221 221 TYR H H 8.87 0.05 1 1165 221 221 TYR HA H 4.41 0.05 1 1166 221 221 TYR C C 175.90 0.5 1 1167 221 221 TYR CA C 59.03 0.5 1 1168 221 221 TYR CB C 41.26 0.5 1 1169 221 221 TYR N N 115.19 0.5 1 1170 222 222 ARG H H 9.25 0.05 1 1171 222 222 ARG HA H 4.87 0.05 1 1172 222 222 ARG C C 174.20 0.5 1 1173 222 222 ARG CA C 55.42 0.5 1 1174 222 222 ARG CB C 33.44 0.5 1 1175 222 222 ARG N N 118.05 0.5 1 1176 223 223 VAL H H 8.30 0.05 1 1177 223 223 VAL HA H 4.02 0.05 1 1178 223 223 VAL C C 177.10 0.5 1 1179 223 223 VAL CA C 63.53 0.5 1 1180 223 223 VAL CB C 33.24 0.5 1 1181 223 223 VAL N N 120.14 0.5 1 1182 224 224 LEU H H 9.59 0.05 1 1183 224 224 LEU HA H 4.29 0.05 1 1184 224 224 LEU C C 177.80 0.5 1 1185 224 224 LEU CA C 55.82 0.5 1 1186 224 224 LEU CB C 43.06 0.5 1 1187 224 224 LEU N N 128.21 0.5 1 1188 225 225 ASN H H 8.45 0.05 1 1189 225 225 ASN HA H 4.05 0.05 1 1190 225 225 ASN C C 177.50 0.5 1 1191 225 225 ASN CA C 55.35 0.5 1 1192 225 225 ASN CB C 37.04 0.5 1 1193 225 225 ASN N N 117.45 0.5 1 1194 226 226 GLU H H 9.23 0.05 1 1195 226 226 GLU HA H 3.86 0.05 1 1196 226 226 GLU C C 177.00 0.5 1 1197 226 226 GLU CA C 59.65 0.5 1 1198 226 226 GLU CB C 29.22 0.5 1 1199 226 226 GLU N N 127.55 0.5 1 1200 227 227 ASP H H 8.66 0.05 1 1201 227 227 ASP HA H 4.45 0.05 1 1202 227 227 ASP C C 177.00 0.5 1 1203 227 227 ASP CA C 52.93 0.5 1 1204 227 227 ASP CB C 38.86 0.5 1 1205 227 227 ASP N N 114.02 0.5 1 1206 228 228 GLY H H 7.25 0.05 1 1207 228 228 GLY C C 172.80 0.5 1 1208 228 228 GLY CA C 45.73 0.5 1 1209 228 228 GLY N N 105.95 0.5 1 1210 229 229 LEU H H 8.31 0.05 1 1211 229 229 LEU HA H 3.99 0.05 1 1212 229 229 LEU C C 178.40 0.5 1 1213 229 229 LEU CA C 53.98 0.5 1 1214 229 229 LEU CB C 42.97 0.5 1 1215 229 229 LEU N N 120.79 0.5 1 1216 230 230 ARG H H 9.39 0.05 1 1217 230 230 ARG HA H 3.70 0.05 1 1218 230 230 ARG C C 175.70 0.5 1 1219 230 230 ARG CA C 58.04 0.5 1 1220 230 230 ARG CB C 31.01 0.5 1 1221 230 230 ARG N N 122.48 0.5 1 1222 231 231 PHE H H 6.92 0.05 1 1223 231 231 PHE HA H 4.70 0.05 1 1224 231 231 PHE C C 175.90 0.5 1 1225 231 231 PHE CA C 54.58 0.5 1 1226 231 231 PHE CB C 42.79 0.5 1 1227 231 231 PHE N N 112.07 0.5 1 1228 232 232 GLU H H 9.40 0.05 1 1229 232 232 GLU HA H 4.03 0.05 1 1230 232 232 GLU C C 175.80 0.5 1 1231 232 232 GLU CA C 59.69 0.5 1 1232 232 232 GLU CB C 28.58 0.5 1 1233 232 232 GLU N N 123.71 0.5 1 1234 233 233 ASP H H 8.82 0.05 1 1235 233 233 ASP HA H 4.97 0.05 1 1236 233 233 ASP C C 177.00 0.5 1 1237 233 233 ASP CA C 51.52 0.5 1 1238 233 233 ASP CB C 37.26 0.5 1 1239 233 233 ASP N N 115.28 0.5 1 1240 234 234 GLU H H 7.13 0.05 1 1241 234 234 GLU HA H 3.31 0.05 1 1242 234 234 GLU C C 176.30 0.5 1 1243 234 234 GLU CA C 61.77 0.5 1 1244 234 234 GLU CB C 29.75 0.5 1 1245 234 234 GLU N N 117.45 0.5 1 1246 235 235 PHE H H 6.78 0.05 1 1247 235 235 PHE HA H 4.01 0.05 1 1248 235 235 PHE C C 178.60 0.5 1 1249 235 235 PHE CA C 60.20 0.5 1 1250 235 235 PHE CB C 37.31 0.5 1 1251 235 235 PHE N N 111.03 0.5 1 1252 236 236 VAL H H 7.95 0.05 1 1253 236 236 VAL HA H 4.00 0.05 1 1254 236 236 VAL C C 176.80 0.5 1 1255 236 236 VAL CA C 65.41 0.5 1 1256 236 236 VAL CB C 31.19 0.5 1 1257 236 236 VAL N N 118.83 0.5 1 1258 237 237 ARG H H 7.35 0.05 1 1259 237 237 ARG HA H 3.40 0.05 1 1260 237 237 ARG C C 178.40 0.5 1 1261 237 237 ARG CA C 60.36 0.5 1 1262 237 237 ARG CB C 30.21 0.5 1 1263 237 237 ARG N N 122.09 0.5 1 1264 238 238 HIS H H 8.23 0.05 1 1265 238 238 HIS HA H 3.57 0.05 1 1266 238 238 HIS C C 176.20 0.5 1 1267 238 238 HIS CA C 60.31 0.5 1 1268 238 238 HIS CB C 28.01 0.5 1 1269 238 238 HIS N N 117.58 0.5 1 1270 239 239 LYS H H 7.06 0.05 1 1271 239 239 LYS HA H 3.72 0.05 1 1272 239 239 LYS C C 179.40 0.5 1 1273 239 239 LYS CA C 57.06 0.5 1 1274 239 239 LYS CB C 29.81 0.5 1 1275 239 239 LYS N N 116.23 0.5 1 1276 240 240 MET H H 7.34 0.05 1 1277 240 240 MET HA H 3.64 0.05 1 1278 240 240 MET C C 176.30 0.5 1 1279 240 240 MET CA C 59.24 0.5 1 1280 240 240 MET CB C 31.53 0.5 1 1281 240 240 MET N N 120.40 0.5 1 1282 241 241 LEU H H 7.59 0.05 1 1283 241 241 LEU HA H 4.60 0.05 1 1284 241 241 LEU C C 178.00 0.5 1 1285 241 241 LEU CA C 59.62 0.5 1 1286 241 241 LEU CB C 41.25 0.5 1 1287 241 241 LEU N N 123.26 0.5 1 1288 242 242 ASP H H 8.04 0.05 1 1289 242 242 ASP HA H 4.08 0.05 1 1290 242 242 ASP C C 178.00 0.5 1 1291 242 242 ASP CA C 56.92 0.5 1 1292 242 242 ASP CB C 39.51 0.5 1 1293 242 242 ASP N N 118.60 0.5 1 1294 243 243 ALA H H 7.39 0.05 1 1295 243 243 ALA HA H 4.04 0.05 1 1296 243 243 ALA C C 179.00 0.5 1 1297 243 243 ALA CA C 55.15 0.5 1 1298 243 243 ALA CB C 17.50 0.5 1 1299 243 243 ALA N N 122.18 0.5 1 1300 244 244 ILE H H 7.83 0.05 1 1301 244 244 ILE C C 179.00 0.5 1 1302 244 244 ILE CA C 66.49 0.5 1 1303 244 244 ILE CB C 37.72 0.5 1 1304 244 244 ILE N N 118.34 0.5 1 1305 245 245 GLY H H 7.77 0.05 1 1306 245 245 GLY C C 176.00 0.5 1 1307 245 245 GLY CA C 47.18 0.5 1 1308 245 245 GLY N N 105.19 0.5 1 1309 246 246 ASP H H 8.73 0.05 1 1310 246 246 ASP HA H 4.32 0.05 1 1311 246 246 ASP C C 180.00 0.5 1 1312 246 246 ASP CA C 57.55 0.5 1 1313 246 246 ASP CB C 41.21 0.5 1 1314 246 246 ASP N N 123.07 0.5 1 1315 247 247 LEU H H 8.38 0.05 1 1316 247 247 LEU HA H 4.06 0.05 1 1317 247 247 LEU C C 177.20 0.5 1 1318 247 247 LEU CA C 56.92 0.5 1 1319 247 247 LEU CB C 41.16 0.5 1 1320 247 247 LEU N N 119.26 0.5 1 1321 248 248 PHE H H 7.30 0.05 1 1322 248 248 PHE HA H 4.60 0.05 1 1323 248 248 PHE C C 177.60 0.5 1 1324 248 248 PHE CA C 57.63 0.5 1 1325 248 248 PHE CB C 40.11 0.5 1 1326 248 248 PHE N N 118.98 0.5 1 1327 249 249 MET H H 7.39 0.05 1 1328 249 249 MET HA H 4.30 0.05 1 1329 249 249 MET C C 173.90 0.5 1 1330 249 249 MET CA C 55.89 0.5 1 1331 249 249 MET CB C 30.71 0.5 1 1332 249 249 MET N N 118.34 0.5 1 1333 250 250 CYS H H 6.44 0.05 1 1334 250 250 CYS HA H 4.84 0.05 1 1335 250 250 CYS C C 175.80 0.5 1 1336 250 250 CYS CA C 57.15 0.5 1 1337 250 250 CYS CB C 29.01 0.5 1 1338 250 250 CYS N N 107.38 0.5 1 1339 251 251 GLY H H 7.88 0.05 1 1340 251 251 GLY C C 171.90 0.5 1 1341 251 251 GLY CA C 44.37 0.5 1 1342 251 251 GLY N N 111.70 0.5 1 1343 252 252 HIS H H 7.24 0.05 1 1344 252 252 HIS HA H 4.74 0.05 1 1345 252 252 HIS C C 173.50 0.5 1 1346 252 252 HIS CA C 54.12 0.5 1 1347 252 252 HIS CB C 32.51 0.5 1 1348 252 252 HIS N N 115.19 0.5 1 1349 253 253 ASN H H 9.24 0.05 1 1350 253 253 ASN HA H 4.36 0.05 1 1351 253 253 ASN C C 172.70 0.5 1 1352 253 253 ASN CA C 56.35 0.5 1 1353 253 253 ASN CB C 40.91 0.5 1 1354 253 253 ASN N N 121.45 0.5 1 1355 254 254 ILE H H 7.66 0.05 1 1356 254 254 ILE HA H 4.75 0.05 1 1357 254 254 ILE C C 172.80 0.5 1 1358 254 254 ILE CA C 60.18 0.5 1 1359 254 254 ILE CB C 41.68 0.5 1 1360 254 254 ILE N N 123.11 0.5 1 1361 255 255 ILE H H 8.73 0.05 1 1362 255 255 ILE HA H 4.75 0.05 1 1363 255 255 ILE C C 177.30 0.5 1 1364 255 255 ILE CA C 59.97 0.5 1 1365 255 255 ILE CB C 39.58 0.5 1 1366 255 255 ILE N N 124.20 0.5 1 1367 256 256 GLY H H 9.38 0.05 1 1368 256 256 GLY C C 169.80 0.5 1 1369 256 256 GLY CA C 45.92 0.5 1 1370 256 256 GLY N N 118.34 0.5 1 1371 257 257 ALA H H 9.43 0.05 1 1372 257 257 ALA HA H 5.34 0.05 1 1373 257 257 ALA C C 175.90 0.5 1 1374 257 257 ALA CA C 51.42 0.5 1 1375 257 257 ALA CB C 19.90 0.5 1 1376 257 257 ALA N N 122.48 0.5 1 1377 258 258 PHE H H 9.10 0.05 1 1378 258 258 PHE HA H 5.29 0.05 1 1379 258 258 PHE C C 175.00 0.5 1 1380 258 258 PHE CA C 55.99 0.5 1 1381 258 258 PHE CB C 40.68 0.5 1 1382 258 258 PHE N N 128.68 0.5 1 1383 259 259 THR H H 8.61 0.05 1 1384 259 259 THR HA H 5.01 0.05 1 1385 259 259 THR C C 171.00 0.5 1 1386 259 259 THR CA C 61.22 0.5 1 1387 259 259 THR CB C 70.71 0.5 1 1388 259 259 THR N N 128.46 0.5 1 1389 260 260 ALA H H 8.44 0.05 1 1390 260 260 ALA HA H 4.08 0.05 1 1391 260 260 ALA C C 174.80 0.5 1 1392 260 260 ALA CA C 50.73 0.5 1 1393 260 260 ALA CB C 23.95 0.5 1 1394 260 260 ALA N N 124.99 0.5 1 1395 261 261 TYR H H 8.04 0.05 1 1396 261 261 TYR HA H 4.29 0.05 1 1397 261 261 TYR C C 172.70 0.5 1 1398 261 261 TYR CA C 56.21 0.5 1 1399 261 261 TYR CB C 38.35 0.5 1 1400 261 261 TYR N N 125.11 0.5 1 1401 262 262 LYS H H 8.21 0.05 1 1402 262 262 LYS HA H 3.33 0.05 1 1403 262 262 LYS C C 174.20 0.5 1 1404 262 262 LYS CA C 58.24 0.5 1 1405 262 262 LYS CB C 29.29 0.5 1 1406 262 262 LYS N N 117.19 0.5 1 1407 263 263 SER H H 5.85 0.05 1 1408 263 263 SER HA H 5.72 0.05 1 1409 263 263 SER C C 173.50 0.5 1 1410 263 263 SER CA C 56.69 0.5 1 1411 263 263 SER CB C 64.22 0.5 1 1412 263 263 SER N N 107.74 0.5 1 1413 264 264 GLY H H 7.96 0.05 1 1414 264 264 GLY C C 172.40 0.5 1 1415 264 264 GLY CA C 44.30 0.5 1 1416 264 264 GLY N N 109.40 0.5 1 1417 266 266 ALA H H 8.52 0.05 1 1418 266 266 ALA HA H 4.64 0.05 1 1419 266 266 ALA C C 180.50 0.5 1 1420 266 266 ALA CA C 55.76 0.5 1 1421 266 266 ALA CB C 18.13 0.5 1 1422 266 266 ALA N N 121.67 0.5 1 1423 267 267 LEU H H 8.07 0.05 1 1424 267 267 LEU HA H 4.11 0.05 1 1425 267 267 LEU C C 178.50 0.5 1 1426 267 267 LEU CA C 57.47 0.5 1 1427 267 267 LEU CB C 40.60 0.5 1 1428 267 267 LEU N N 122.69 0.5 1 1429 268 268 ASN H H 8.58 0.05 1 1430 268 268 ASN HA H 4.31 0.05 1 1431 268 268 ASN C C 178.30 0.5 1 1432 268 268 ASN CA C 55.75 0.5 1 1433 268 268 ASN CB C 36.56 0.5 1 1434 268 268 ASN N N 118.60 0.5 1 1435 269 269 ASN H H 7.84 0.05 1 1436 269 269 ASN HA H 4.36 0.05 1 1437 269 269 ASN C C 176.90 0.5 1 1438 269 269 ASN CA C 58.08 0.5 1 1439 269 269 ASN CB C 40.04 0.5 1 1440 269 269 ASN N N 117.79 0.5 1 1441 270 270 LYS H H 8.16 0.05 1 1442 270 270 LYS HA H 3.88 0.05 1 1443 270 270 LYS C C 179.80 0.5 1 1444 270 270 LYS CA C 60.12 0.5 1 1445 270 270 LYS CB C 31.71 0.5 1 1446 270 270 LYS N N 122.09 0.5 1 1447 271 271 LEU H H 8.42 0.05 1 1448 271 271 LEU HA H 4.11 0.05 1 1449 271 271 LEU CA C 57.93 0.5 1 1450 271 271 LEU CB C 39.86 0.5 1 1451 271 271 LEU N N 121.57 0.5 1 1452 272 272 LEU H H 7.93 0.05 1 1453 272 272 LEU HA H 3.38 0.05 1 1454 272 272 LEU C C 178.30 0.5 1 1455 272 272 LEU CA C 58.21 0.5 1 1456 272 272 LEU CB C 42.39 0.5 1 1457 272 272 LEU N N 119.88 0.5 1 1458 273 273 GLN H H 8.51 0.05 1 1459 273 273 GLN HA H 3.75 0.05 1 1460 273 273 GLN C C 178.60 0.5 1 1461 273 273 GLN CA C 60.82 0.5 1 1462 273 273 GLN CB C 29.43 0.5 1 1463 273 273 GLN N N 114.39 0.5 1 1464 274 274 ALA H H 8.15 0.05 1 1465 274 274 ALA HA H 4.07 0.05 1 1466 274 274 ALA CA C 55.17 0.5 1 1467 274 274 ALA CB C 18.00 0.5 1 1468 274 274 ALA N N 123.20 0.5 1 1469 275 275 VAL H H 8.24 0.05 1 1470 275 275 VAL HA H 4.06 0.05 1 1471 275 275 VAL CA C 66.64 0.5 1 1472 275 275 VAL CB C 32.60 0.5 1 1473 275 275 VAL N N 117.68 0.5 1 1474 276 276 LEU H H 7.57 0.05 1 1475 276 276 LEU HA H 3.45 0.05 1 1476 276 276 LEU C C 179.90 0.5 1 1477 276 276 LEU CA C 56.58 0.5 1 1478 276 276 LEU CB C 40.66 0.5 1 1479 276 276 LEU N N 114.00 0.5 1 1480 277 277 ALA H H 7.68 0.05 1 1481 277 277 ALA HA H 4.22 0.05 1 1482 277 277 ALA C C 177.40 0.5 1 1483 277 277 ALA CA C 53.45 0.5 1 1484 277 277 ALA CB C 18.63 0.5 1 1485 277 277 ALA N N 119.10 0.5 1 1486 278 278 LYS H H 7.62 0.05 1 1487 278 278 LYS HA H 4.05 0.05 1 1488 278 278 LYS C C 175.50 0.5 1 1489 278 278 LYS CA C 54.97 0.5 1 1490 278 278 LYS CB C 32.23 0.5 1 1491 278 278 LYS N N 122.94 0.5 1 1492 279 279 GLN H H 8.31 0.05 1 1493 279 279 GLN HA H 3.71 0.05 1 1494 279 279 GLN C C 177.10 0.5 1 1495 279 279 GLN CA C 59.16 0.5 1 1496 279 279 GLN CB C 28.17 0.5 1 1497 279 279 GLN N N 125.34 0.5 1 1498 280 280 GLU H H 9.06 0.05 1 1499 280 280 GLU HA H 4.09 0.05 1 1500 280 280 GLU C C 176.60 0.5 1 1501 280 280 GLU CA C 57.77 0.5 1 1502 280 280 GLU CB C 28.57 0.5 1 1503 280 280 GLU N N 114.80 0.5 1 1504 281 281 ALA H H 8.20 0.05 1 1505 281 281 ALA HA H 4.20 0.05 1 1506 281 281 ALA C C 176.40 0.5 1 1507 281 281 ALA CA C 53.07 0.5 1 1508 281 281 ALA CB C 19.48 0.5 1 1509 281 281 ALA N N 118.96 0.5 1 1510 282 282 TRP H H 7.51 0.05 1 1511 282 282 TRP HA H 5.51 0.05 1 1512 282 282 TRP C C 172.10 0.5 1 1513 282 282 TRP CA C 55.04 0.5 1 1514 282 282 TRP CB C 30.74 0.5 1 1515 282 282 TRP N N 116.62 0.5 1 1516 283 283 GLU H H 8.23 0.05 1 1517 283 283 GLU HA H 4.07 0.05 1 1518 283 283 GLU C C 175.50 0.5 1 1519 283 283 GLU CA C 54.13 0.5 1 1520 283 283 GLU CB C 32.07 0.5 1 1521 283 283 GLU N N 112.98 0.5 1 1522 284 284 TYR H H 8.65 0.05 1 1523 284 284 TYR HA H 5.78 0.05 1 1524 284 284 TYR C C 177.10 0.5 1 1525 284 284 TYR CA C 57.62 0.5 1 1526 284 284 TYR CB C 39.20 0.5 1 1527 284 284 TYR N N 121.28 0.5 1 1528 285 285 VAL H H 9.10 0.05 1 1529 285 285 VAL HA H 4.60 0.05 1 1530 285 285 VAL C C 174.00 0.5 1 1531 285 285 VAL CA C 60.25 0.5 1 1532 285 285 VAL CB C 35.87 0.5 1 1533 285 285 VAL N N 117.53 0.5 1 1534 286 286 THR H H 7.63 0.05 1 1535 286 286 THR HA H 4.70 0.05 1 1536 286 286 THR C C 172.70 0.5 1 1537 286 286 THR CA C 59.34 0.5 1 1538 286 286 THR CB C 71.90 0.5 1 1539 286 286 THR N N 113.37 0.5 1 1540 287 287 PHE H H 9.70 0.05 1 1541 287 287 PHE HA H 4.77 0.05 1 1542 287 287 PHE C C 175.40 0.5 1 1543 287 287 PHE CA C 57.40 0.5 1 1544 287 287 PHE CB C 40.65 0.5 1 1545 287 287 PHE N N 119.49 0.5 1 1546 288 288 GLN H H 8.73 0.05 1 1547 288 288 GLN HA H 4.06 0.05 1 1548 288 288 GLN C C 175.60 0.5 1 1549 288 288 GLN CA C 57.62 0.5 1 1550 288 288 GLN CB C 28.80 0.5 1 1551 288 288 GLN N N 123.91 0.5 1 1552 289 289 ASP H H 8.00 0.05 1 1553 289 289 ASP HA H 4.72 0.05 1 1554 289 289 ASP C C 176.30 0.5 1 1555 289 289 ASP CA C 52.93 0.5 1 1556 289 289 ASP CB C 41.57 0.5 1 1557 289 289 ASP N N 118.05 0.5 1 1558 290 290 ASP H H 8.48 0.05 1 1559 290 290 ASP HA H 4.02 0.05 1 1560 290 290 ASP C C 177.70 0.5 1 1561 290 290 ASP CA C 56.92 0.5 1 1562 290 290 ASP CB C 40.06 0.5 1 1563 290 290 ASP N N 124.43 0.5 1 1564 291 291 ALA H H 8.15 0.05 1 1565 291 291 ALA HA H 4.04 0.05 1 1566 291 291 ALA C C 178.80 0.5 1 1567 291 291 ALA CA C 54.01 0.5 1 1568 291 291 ALA CB C 18.12 0.5 1 1569 291 291 ALA N N 120.00 0.5 1 1570 292 292 GLU H H 7.69 0.05 1 1571 292 292 GLU HA H 4.04 0.05 1 1572 292 292 GLU C C 176.10 0.5 1 1573 292 292 GLU CA C 56.36 0.5 1 1574 292 292 GLU CB C 30.69 0.5 1 1575 292 292 GLU N N 116.36 0.5 1 1576 293 293 LEU H H 6.86 0.05 1 1577 293 293 LEU HA H 3.08 0.05 1 1578 293 293 LEU C C 175.20 0.5 1 1579 293 293 LEU CA C 52.99 0.5 1 1580 293 293 LEU CB C 42.66 0.5 1 1581 293 293 LEU N N 122.08 0.5 1 1582 298 298 LYS H H 7.32 0.05 1 1583 298 298 LYS HA H 4.10 0.05 1 1584 298 298 LYS C C 176.60 0.5 1 1585 298 298 LYS CA C 57.06 0.5 1 1586 298 298 LYS CB C 32.81 0.5 1 1587 298 298 LYS N N 121.44 0.5 1 1588 299 299 ALA H H 8.71 0.05 1 1589 299 299 ALA HA H 4.39 0.05 1 1590 299 299 ALA C C 175.20 0.5 1 1591 299 299 ALA CA C 50.97 0.5 1 1592 299 299 ALA CB C 17.50 0.5 1 1593 299 299 ALA N N 129.51 0.5 1 1594 300 300 PRO C C 176.50 0.5 1 1595 300 300 PRO CA C 62.78 0.5 1 1596 300 300 PRO CB C 32.01 0.5 1 1597 301 301 SER H H 8.73 0.05 1 1598 301 301 SER HA H 4.46 0.05 1 1599 301 301 SER C C 174.40 0.5 1 1600 301 301 SER CA C 59.02 0.5 1 1601 301 301 SER CB C 63.44 0.5 1 1602 301 301 SER N N 117.42 0.5 1 1603 302 302 ALA H H 8.14 0.05 1 1604 302 302 ALA HA H 4.28 0.05 1 1605 302 302 ALA C C 177.40 0.5 1 1606 302 302 ALA CA C 52.84 0.5 1 1607 302 302 ALA CB C 19.16 0.5 1 1608 302 302 ALA N N 125.08 0.5 1 1609 303 303 VAL H H 7.77 0.05 1 1610 303 303 VAL HA H 4.05 0.05 1 1611 303 303 VAL C C 175.70 0.5 1 1612 303 303 VAL CA C 62.58 0.5 1 1613 303 303 VAL CB C 32.95 0.5 1 1614 303 303 VAL N N 117.79 0.5 1 1615 304 304 LEU H H 7.95 0.05 1 1616 304 304 LEU HA H 4.35 0.05 1 1617 304 304 LEU C C 175.70 0.5 1 1618 304 304 LEU CA C 55.10 0.5 1 1619 304 304 LEU CB C 42.40 0.5 1 1620 304 304 LEU N N 126.25 0.5 1 1621 305 305 ALA H H 7.63 0.05 1 1622 305 305 ALA HA H 4.05 0.05 1 1623 305 305 ALA CA C 53.85 0.5 1 1624 305 305 ALA CB C 20.34 0.5 1 1625 305 305 ALA N N 130.86 0.5 1 stop_ save_