data_6695 #Corrected using PDB structure: 1GAWA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #174 I CA 57.78 63.45 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #272 C CB 30.45 35.62 #278 E CB 37.50 29.81 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #153 K C 173.30 178.38 #278 E C 171.71 178.88 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted #206 T N 129.51 108.50 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #132 C H 10.94 7.99 #196 G H 8.31 5.38 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A 0.23 0.53 0.00 -0.32 0.13 # #bmr6695.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6695.str file): #HA CA CB CO N HN #N/A +0.38 +0.38 +0.00 -0.32 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A +/-0.09 +/-0.10 +/-0.10 +/-0.22 +/-0.04 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A 0.971 0.993 0.752 0.854 0.705 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A 0.751 0.821 0.818 1.809 0.342 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for Ferredoxin-NADP+ Reductase ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maeda Masahiro ? . 2 Young-Ho Lee ? . 3 Ikegami Takahisa ? . 4 Tamura Kohsuke ? . 5 Hoshino Masaru ? . 6 Yamazaki Toshio ? . 7 Nakayama Masato ? . 8 Hase Toshiharu ? . 9 Goto Yuji ? . stop_ _BMRB_accession_number 6695 _BMRB_flat_file_name bmr6695.str _Entry_type new _Submission_date 2005-06-20 _Accession_date 2005-06-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 878 "1H chemical shifts" 285 "15N chemical shifts" 285 stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full ; Biochemistry 2005, 44, 10644-10653; "Identification of the N- and C-Terminal Substrate Binding Segments of Ferredoxin-NADP+ Reductase by NMR" Masahiro Maeda, Young Ho Lee, Takahisa Ikegami, Kohsuke Tamura, Masaru Hoshino, Toshio Yamazaki, Masato Nakayama, Toshiharu Hase, and Yuji Goto ; _Citation_title ; Identification of the N- and C-Terminal Substrate Binding Segments of Ferredoxin-NADP+ Reductase by NMR ; _Citation_status published _Citation_type journal _PubMed_ID 16060673 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Masahiro Maeda ? . 2 Young-Ho Lee ? . 3 Ikegami Takahisa ? . 4 Tamura Kohsuke ? . 5 Hoshino Masaru ? . 6 Yamazaki Toshio ? . 7 Nakayama Masato ? . 8 Hase Toshiharu ? . 9 Goto Yuji ? . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 31 _Page_first 10644 _Page_last 10653 _Year 2005 loop_ _Keyword "ferredoxin-NADP+ reductase" assignment "NADP+ binding mechanism" "protein-protein interaction" TROSY "electron transfer complex" photosynthesis stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "FNR polypeptide" _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label polypeptide $ferredoxin-NADP+_reductase FAD $entity_FAD stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_ferredoxin-NADP+_reductase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common polypeptide _Molecular_mass 35249 _Mol_thiol_state "all free" loop_ _Biological_function "FNR catalyzes the transfer of electrons from ferredoxin to NADP+" "last step of the photosynthetic I chain" stop_ _Details ; The resonance of flavine adenine dinucleotide (FAD: cofactor) was not assigned. ; ############################## # Polymer residue sequence # ############################## _Residue_count 314 _Mol_residue_sequence ; IRAQASAVEAPATAKAKKES KKQEEGVVTNLYKPKEPYVG RCLLNTKITGDDAPGETWHM VFSTEGKIPYREGQSIGVIA DGVDKNGKPHKVRLYSIASS AIGDFGDSKTVSLCVKRLIY TNDAGEIVKGVCSNFLCDLQ PGDNVQITGPVGKEMLMPKD PNATIIMLATGTGIAPFRSF LWKMFFEKHDDYKFNGLGWL FLGVPTSSSLLYKEEFGKMK ERAPENFRVDYAVSREQTNA AGERMYIQTRMAEYKEELWE LLKKDNTYVYMCGLKGMEKG IDDIMVSLAEKDGIDWFDYK KQLKRGDQWNVEVY ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 ARG 3 ALA 4 GLN 5 ALA 6 SER 7 ALA 8 VAL 9 GLU 10 ALA 11 PRO 12 ALA 13 THR 14 ALA 15 LYS 16 ALA 17 LYS 18 LYS 19 GLU 20 SER 21 LYS 22 LYS 23 GLN 24 GLU 25 GLU 26 GLY 27 VAL 28 VAL 29 THR 30 ASN 31 LEU 32 TYR 33 LYS 34 PRO 35 LYS 36 GLU 37 PRO 38 TYR 39 VAL 40 GLY 41 ARG 42 CYS 43 LEU 44 LEU 45 ASN 46 THR 47 LYS 48 ILE 49 THR 50 GLY 51 ASP 52 ASP 53 ALA 54 PRO 55 GLY 56 GLU 57 THR 58 TRP 59 HIS 60 MET 61 VAL 62 PHE 63 SER 64 THR 65 GLU 66 GLY 67 LYS 68 ILE 69 PRO 70 TYR 71 ARG 72 GLU 73 GLY 74 GLN 75 SER 76 ILE 77 GLY 78 VAL 79 ILE 80 ALA 81 ASP 82 GLY 83 VAL 84 ASP 85 LYS 86 ASN 87 GLY 88 LYS 89 PRO 90 HIS 91 LYS 92 VAL 93 ARG 94 LEU 95 TYR 96 SER 97 ILE 98 ALA 99 SER 100 SER 101 ALA 102 ILE 103 GLY 104 ASP 105 PHE 106 GLY 107 ASP 108 SER 109 LYS 110 THR 111 VAL 112 SER 113 LEU 114 CYS 115 VAL 116 LYS 117 ARG 118 LEU 119 ILE 120 TYR 121 THR 122 ASN 123 ASP 124 ALA 125 GLY 126 GLU 127 ILE 128 VAL 129 LYS 130 GLY 131 VAL 132 CYS 133 SER 134 ASN 135 PHE 136 LEU 137 CYS 138 ASP 139 LEU 140 GLN 141 PRO 142 GLY 143 ASP 144 ASN 145 VAL 146 GLN 147 ILE 148 THR 149 GLY 150 PRO 151 VAL 152 GLY 153 LYS 154 GLU 155 MET 156 LEU 157 MET 158 PRO 159 LYS 160 ASP 161 PRO 162 ASN 163 ALA 164 THR 165 ILE 166 ILE 167 MET 168 LEU 169 ALA 170 THR 171 GLY 172 THR 173 GLY 174 ILE 175 ALA 176 PRO 177 PHE 178 ARG 179 SER 180 PHE 181 LEU 182 TRP 183 LYS 184 MET 185 PHE 186 PHE 187 GLU 188 LYS 189 HIS 190 ASP 191 ASP 192 TYR 193 LYS 194 PHE 195 ASN 196 GLY 197 LEU 198 GLY 199 TRP 200 LEU 201 PHE 202 LEU 203 GLY 204 VAL 205 PRO 206 THR 207 SER 208 SER 209 SER 210 LEU 211 LEU 212 TYR 213 LYS 214 GLU 215 GLU 216 PHE 217 GLY 218 LYS 219 MET 220 LYS 221 GLU 222 ARG 223 ALA 224 PRO 225 GLU 226 ASN 227 PHE 228 ARG 229 VAL 230 ASP 231 TYR 232 ALA 233 VAL 234 SER 235 ARG 236 GLU 237 GLN 238 THR 239 ASN 240 ALA 241 ALA 242 GLY 243 GLU 244 ARG 245 MET 246 TYR 247 ILE 248 GLN 249 THR 250 ARG 251 MET 252 ALA 253 GLU 254 TYR 255 LYS 256 GLU 257 GLU 258 LEU 259 TRP 260 GLU 261 LEU 262 LEU 263 LYS 264 LYS 265 ASP 266 ASN 267 THR 268 TYR 269 VAL 270 TYR 271 MET 272 CYS 273 GLY 274 LEU 275 LYS 276 GLY 277 MET 278 GLU 279 LYS 280 GLY 281 ILE 282 ASP 283 ASP 284 ILE 285 MET 286 VAL 287 SER 288 LEU 289 ALA 290 GLU 291 LYS 292 ASP 293 GLY 294 ILE 295 ASP 296 TRP 297 PHE 298 ASP 299 TYR 300 LYS 301 LYS 302 GLN 303 LEU 304 LYS 305 ARG 306 GLY 307 ASP 308 GLN 309 TRP 310 ASN 311 VAL 312 GLU 313 VAL 314 TYR stop_ _Sequence_homology_query_date 2005-09-22 _Sequence_homology_query_revised_last_date 2005-09-08 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 1GAQ "A Chain A, Crystal Structure Of The ComplexBetween Ferredoxin And Ferredoxin-Nadp+ Reductase" 100.00 314 100 100 0.0 PDB 1GAW "A Chain A, Crystal Structure Analysis Of TheFerredoxin-Nadp+ Reductase From Maize Leaf" 100.00 314 100 100 0.0 DBJ BAA88236.1 "ferredoxin [Zea mays]" 88.45 355 100 100 0.0 stop_ save_ ############# # Ligands # ############# save_entity_FAD _Saveframe_category ligand _Mol_type fragment _Name_common "FLAVIN-ADENINE DINUCLEOTIDE" _PDB_code FAD _Mol_empirical_formula "C27 H33 N9 O15 P2" _Mol_charge ? _Mol_paramagnetic ? _Mol_aromatic no _Details . loop_ _Atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons AP P ? 0 ? ? AO1 O ? 0 ? ? AO2 O ? 0 ? ? AO5* O ? 0 ? ? AC5* C ? 0 ? ? AC4* C ? 0 ? ? AO4* O ? 0 ? ? AC3* C ? 0 ? ? AO3* O ? 0 ? ? AC2* C ? 0 ? ? AO2* O ? 0 ? ? AC1* C ? 0 ? ? AN9 N ? 0 ? ? AC8 C ? 0 ? ? AN7 N ? 0 ? ? AC5 C ? 0 ? ? AC6 C ? 0 ? ? AN6 N ? 0 ? ? AN1 N ? 0 ? ? AC2 C ? 0 ? ? AN3 N ? 0 ? ? AC4 C ? 0 ? ? N1 N ? 0 ? ? C2 C ? 0 ? ? O2 O ? 0 ? ? N3 N ? 0 ? ? C4 C ? 0 ? ? O4 O ? 0 ? ? C4A C ? 0 ? ? N5 N ? 0 ? ? C5A C ? 0 ? ? C6 C ? 0 ? ? C7 C ? 0 ? ? C7M C ? 0 ? ? C8 C ? 0 ? ? C8M C ? 0 ? ? C9 C ? 0 ? ? C9A C ? 0 ? ? N10 N ? 0 ? ? C10 C ? 0 ? ? C1* C ? 0 ? ? C2* C ? 0 ? ? O2* O ? 0 ? ? C3* C ? 0 ? ? O3* O ? 0 ? ? C4* C ? 0 ? ? O4* O ? 0 ? ? C5* C ? 0 ? ? O5* O ? 0 ? ? P P ? 0 ? ? O1P O ? 0 ? ? O2P O ? 0 ? ? O3P O ? 0 ? ? 2HOA H ? 0 ? ? AH51 H ? 0 ? ? AH52 H ? 0 ? ? AH4* H ? 0 ? ? AH3* H ? 0 ? ? AHO3 H ? 0 ? ? AH2* H ? 0 ? ? AHO2 H ? 0 ? ? AH1* H ? 0 ? ? AH8 H ? 0 ? ? AH61 H ? 0 ? ? AH62 H ? 0 ? ? AH2 H ? 0 ? ? HN3 H ? 0 ? ? H6 H ? 0 ? ? 1HM7 H ? 0 ? ? 2HM7 H ? 0 ? ? 3HM7 H ? 0 ? ? 1HM8 H ? 0 ? ? 2HM8 H ? 0 ? ? 3HM8 H ? 0 ? ? H9 H ? 0 ? ? 1H1* H ? 0 ? ? 2H1* H ? 0 ? ? H2* H ? 0 ? ? *HO2 H ? 0 ? ? H3* H ? 0 ? ? *HO3 H ? 0 ? ? H4* H ? 0 ? ? *HO4 H ? 0 ? ? 1H5* H ? 0 ? ? 2H5* H ? 0 ? ? 2HOP H ? 0 ? ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name DOUB AP AO1 SING AP AO2 SING AP AO5* SING AP O3P SING AO2 2HOA SING AO5* AC5* SING AC5* AC4* SING AC5* AH51 SING AC5* AH52 SING AC4* AO4* SING AC4* AC3* SING AC4* AH4* SING AO4* AC1* SING AC3* AO3* SING AC3* AC2* SING AC3* AH3* SING AO3* AHO3 SING AC2* AO2* SING AC2* AC1* SING AC2* AH2* SING AO2* AHO2 SING AC1* AN9 SING AC1* AH1* SING AN9 AC8 SING AN9 AC4 DOUB AC8 AN7 SING AC8 AH8 SING AN7 AC5 SING AC5 AC6 DOUB AC5 AC4 SING AC6 AN6 DOUB AC6 AN1 SING AN6 AH61 SING AN6 AH62 SING AN1 AC2 DOUB AC2 AN3 SING AC2 AH2 SING AN3 AC4 SING N1 C2 DOUB N1 C10 DOUB C2 O2 SING C2 N3 SING N3 C4 SING N3 HN3 DOUB C4 O4 SING C4 C4A DOUB C4A N5 SING C4A C10 SING N5 C5A DOUB C5A C6 SING C5A C9A SING C6 C7 SING C6 H6 SING C7 C7M DOUB C7 C8 SING C7M 1HM7 SING C7M 2HM7 SING C7M 3HM7 SING C8 C8M SING C8 C9 SING C8M 1HM8 SING C8M 2HM8 SING C8M 3HM8 DOUB C9 C9A SING C9 H9 SING C9A N10 SING N10 C10 SING N10 C1* SING C1* C2* SING C1* 1H1* SING C1* 2H1* SING C2* O2* SING C2* C3* SING C2* H2* SING O2* *HO2 SING C3* O3* SING C3* C4* SING C3* H3* SING O3* *HO3 SING C4* O4* SING C4* C5* SING C4* H4* SING O4* *HO4 SING C5* O5* SING C5* 1H5* SING C5* 2H5* SING O5* P DOUB P O1P SING P O2P SING P O3P SING O2P 2HOP stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue _Organelle _Fraction _Plasmid $ferredoxin-NADP+_reductase "maize (corn)" 4577 Eukaryota Viridiplantae Zea mays leaf chroloplast "stroma/thylakoid membrane" pYOL 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 $ferredoxin-NADP+_reductase "recombinant technology" "E. coli" ? ? ? ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_buffer _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ferredoxin-NADP+_reductase 0.4 mM "[U-95% 13C; U-98% 15N; U-80% 2H]" $entity_FAD 0.4 mM ? "Sodium perchlorate" 50 mM ? "Na Phosphate" 25 mM ? stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name X-WINNMR save_ save_software_2 _Saveframe_category software _Name NMRpipe save_ save_software_3 _Saveframe_category software _Name PIPP save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details "cryogenic probe head" save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N HSQC TROSY-1H-15N HSQC TROSY-HNCO TROSY-HN(CA)CO TROSY-HNCACB TROSY-HN(CO)CACB CBCANH ; save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details "pH 6.5" loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 313 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference 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 H 1 "methyl protons" ppm 0.0 internal direct ? ? ? 1.0 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_pH6.5_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $buffer stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name polypeptide loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 ILE CA C 56.62 0.15 1 2 1 ILE CB C 33.76 0.15 1 3 2 ARG H H 8.55 0.04 1 4 2 ARG CA C 56.62 0.15 1 5 2 ARG CB C 31.36 0.15 1 6 2 ARG N N 123.07 0.1 1 7 3 ALA H H 8.52 0.04 1 8 3 ALA CA C 53.10 0.15 1 9 3 ALA CB C 19.71 0.15 1 10 3 ALA N N 126.23 0.1 1 11 4 GLN H H 8.40 0.04 1 12 4 GLN CA C 56.40 0.15 1 13 4 GLN CB C 30.13 0.15 1 14 4 GLN N N 119.48 0.1 1 15 5 ALA H H 8.42 0.04 1 16 5 ALA CA C 53.18 0.15 1 17 5 ALA CB C 19.74 0.15 1 18 5 ALA N N 125.41 0.1 1 19 6 SER H H 8.31 0.04 1 20 6 SER CA C 58.79 0.15 1 21 6 SER CB C 64.47 0.15 1 22 6 SER N N 114.62 0.1 1 23 7 ALA H H 8.36 0.04 1 24 7 ALA CA C 53.15 0.15 1 25 7 ALA CB C 19.79 0.15 1 26 7 ALA N N 125.73 0.1 1 27 8 VAL H H 8.07 0.04 1 28 8 VAL CA C 62.83 0.15 1 29 8 VAL CB C 33.33 0.15 1 30 8 VAL N N 118.32 0.1 1 31 9 GLU H H 8.41 0.04 1 32 9 GLU CA C 56.60 0.15 1 33 9 GLU CB C 31.05 0.15 1 34 9 GLU N N 124.41 0.1 1 35 10 ALA H H 8.38 0.04 1 36 10 ALA CA C 51.08 0.15 1 37 10 ALA CB C 18.71 0.15 1 38 10 ALA N N 126.55 0.1 1 39 11 PRO CA C 63.83 0.15 1 40 11 PRO CB C 32.52 0.15 1 41 12 ALA H H 8.50 0.04 1 42 12 ALA CA C 53.48 0.15 1 43 12 ALA CB C 19.62 0.15 1 44 12 ALA N N 123.59 0.1 1 45 13 THR H H 8.04 0.04 1 46 13 THR CA C 62.47 0.15 1 47 13 THR CB C 70.30 0.15 1 48 13 THR N N 111.98 0.1 1 49 14 ALA H H 8.25 0.04 1 50 14 ALA CA C 53.24 0.15 1 51 14 ALA CB C 19.71 0.15 1 52 14 ALA N N 125.81 0.1 1 53 15 LYS H H 8.22 0.04 1 54 15 LYS CA C 56.84 0.15 1 55 15 LYS CB C 33.66 0.15 1 56 15 LYS N N 120.08 0.1 1 57 16 ALA H H 8.23 0.04 1 58 16 ALA CA C 53.05 0.15 1 59 16 ALA CB C 19.84 0.15 1 60 16 ALA N N 124.65 0.1 1 61 17 LYS H H 8.29 0.04 1 62 17 LYS C C 176.56 0.1 1 63 17 LYS CA C 56.58 0.15 1 64 17 LYS CB C 33.23 0.15 1 65 17 LYS N N 120.74 0.1 1 66 18 LYS H H 8.25 0.02 1 67 18 LYS C C 176.10 0.1 1 68 18 LYS CA C 56.22 0.1 1 69 18 LYS CB C 30.36 0.1 1 70 18 LYS N N 121.90 0.05 1 71 19 GLU H H 8.36 0.02 1 72 19 GLU C C 176.06 0.1 1 73 19 GLU CA C 56.23 0.1 1 74 19 GLU CB C 31.12 0.1 1 75 19 GLU N N 123.28 0.05 1 76 20 SER H H 8.50 0.02 1 77 20 SER C C 176.07 0.1 1 78 20 SER CA C 57.90 0.1 1 79 20 SER CB C 64.35 0.1 1 80 20 SER N N 117.78 0.05 1 81 21 LYS H H 9.11 0.02 1 82 21 LYS C C 177.87 0.1 1 83 21 LYS CA C 56.89 0.1 1 84 21 LYS CB C 33.85 0.1 1 85 21 LYS N N 123.85 0.05 1 86 22 LYS H H 8.59 0.02 1 87 22 LYS C C 176.59 0.1 1 88 22 LYS CA C 55.36 0.1 1 89 22 LYS CB C 34.79 0.1 1 90 22 LYS N N 121.47 0.05 1 91 23 GLN H H 8.28 0.02 1 92 23 GLN C C 174.59 0.1 1 93 23 GLN CA C 55.68 0.1 1 94 23 GLN CB C 26.44 0.1 1 95 23 GLN N N 120.47 0.05 1 96 24 GLU H H 7.98 0.02 1 97 24 GLU C C 177.38 0.1 1 98 24 GLU CA C 56.29 0.1 1 99 24 GLU CB C 31.63 0.1 1 100 24 GLU N N 121.63 0.05 1 101 25 GLU H H 8.63 0.02 1 102 25 GLU C C 178.04 0.1 1 103 25 GLU CA C 58.75 0.1 1 104 25 GLU CB C 28.37 0.1 1 105 25 GLU N N 123.78 0.05 1 106 26 GLY C C 174.07 0.1 1 107 26 GLY CA C 45.62 0.1 1 108 27 VAL H H 7.30 0.02 1 109 27 VAL C C 174.93 0.1 1 110 27 VAL CA C 62.72 0.1 1 111 27 VAL CB C 31.69 0.1 1 112 27 VAL N N 120.59 0.05 1 113 28 VAL H H 9.39 0.02 1 114 28 VAL C C 175.07 0.1 1 115 28 VAL CA C 60.55 0.1 1 116 28 VAL CB C 34.32 0.1 1 117 28 VAL N N 128.64 0.05 1 118 29 THR H H 7.97 0.02 1 119 29 THR C C 174.34 0.1 1 120 29 THR CA C 58.56 0.1 1 121 29 THR CB C 72.41 0.1 1 122 29 THR N N 110.75 0.05 1 123 30 ASN H H 9.38 0.02 1 124 30 ASN C C 173.40 0.1 1 125 30 ASN CA C 54.57 0.1 1 126 30 ASN CB C 37.17 0.1 1 127 30 ASN N N 113.89 0.05 1 128 31 LEU H H 6.80 0.02 1 129 31 LEU C C 177.22 0.1 1 130 31 LEU CA C 57.53 0.1 1 131 31 LEU CB C 42.79 0.1 1 132 31 LEU N N 119.32 0.05 1 133 32 TYR H H 8.30 0.02 1 134 32 TYR C C 176.11 0.1 1 135 32 TYR CA C 57.95 0.1 1 136 32 TYR CB C 40.92 0.1 1 137 32 TYR N N 115.20 0.05 1 138 33 LYS H H 8.98 0.02 1 139 33 LYS C C 174.83 0.1 1 140 33 LYS CA C 54.71 0.1 1 141 33 LYS CB C 33.15 0.1 1 142 33 LYS N N 126.93 0.05 1 143 34 PRO C C 176.24 0.1 1 144 34 PRO CA C 66.00 0.1 1 145 34 PRO CB C 31.32 0.1 1 146 35 LYS H H 7.35 0.02 1 147 35 LYS C C 176.93 0.1 1 148 35 LYS CA C 57.81 0.1 1 149 35 LYS CB C 32.10 0.1 1 150 35 LYS N N 111.83 0.05 1 151 36 GLU H H 7.46 0.02 1 152 36 GLU C C 171.86 0.1 1 153 36 GLU CA C 54.14 0.1 1 154 36 GLU CB C 30.81 0.1 1 155 36 GLU N N 117.36 0.05 1 156 37 PRO C C 176.23 0.1 1 157 37 PRO CA C 63.14 0.1 1 158 37 PRO CB C 32.26 0.1 1 159 38 TYR H H 8.74 0.02 1 160 38 TYR C C 174.32 0.1 1 161 38 TYR CA C 58.69 0.1 1 162 38 TYR CB C 37.29 0.1 1 163 38 TYR N N 122.15 0.05 1 164 39 VAL H H 6.77 0.02 1 165 39 VAL C C 175.45 0.1 1 166 39 VAL CA C 61.55 0.1 1 167 39 VAL CB C 30.23 0.1 1 168 39 VAL N N 127.31 0.05 1 169 40 GLY H H 8.54 0.02 1 170 40 GLY C C 172.46 0.1 1 171 40 GLY CA C 43.95 0.1 1 172 40 GLY N N 115.00 0.05 1 173 41 ARG H H 7.23 0.02 1 174 41 ARG C C 176.14 0.1 1 175 41 ARG CA C 53.94 0.1 1 176 41 ARG CB C 33.26 0.1 1 177 41 ARG N N 115.80 0.05 1 178 42 CYS H H 9.24 0.02 1 179 42 CYS C C 174.59 0.1 1 180 42 CYS CA C 60.17 0.1 1 181 42 CYS CB C 27.24 0.1 1 182 42 CYS N N 123.29 0.05 1 183 43 LEU H H 9.90 0.02 1 184 43 LEU C C 176.22 0.1 1 185 43 LEU CA C 56.04 0.1 1 186 43 LEU CB C 42.96 0.1 1 187 43 LEU N N 132.14 0.05 1 188 44 LEU H H 7.57 0.02 1 189 44 LEU C C 174.53 0.1 1 190 44 LEU CA C 54.94 0.1 1 191 44 LEU CB C 46.43 0.1 1 192 44 LEU N N 118.91 0.05 1 193 45 ASN H H 8.53 0.02 1 194 45 ASN C C 174.93 0.1 1 195 45 ASN CA C 54.67 0.1 1 196 45 ASN CB C 39.70 0.1 1 197 45 ASN N N 122.09 0.05 1 198 46 THR H H 9.41 0.02 1 199 46 THR C C 171.15 0.1 1 200 46 THR CA C 60.89 0.1 1 201 46 THR CB C 71.99 0.1 1 202 46 THR N N 122.91 0.05 1 203 47 LYS H H 8.00 0.02 1 204 47 LYS C C 177.74 0.1 1 205 47 LYS CA C 57.25 0.1 1 206 47 LYS CB C 30.36 0.1 1 207 47 LYS N N 131.98 0.05 1 208 48 ILE H H 8.67 0.02 1 209 48 ILE C C 175.93 0.1 1 210 48 ILE CA C 62.08 0.1 1 211 48 ILE CB C 38.20 0.1 1 212 48 ILE N N 121.03 0.05 1 213 49 THR H H 7.13 0.02 1 214 49 THR C C 175.86 0.1 1 215 49 THR CA C 59.61 0.1 1 216 49 THR CB C 70.41 0.1 1 217 49 THR N N 110.04 0.05 1 218 50 GLY H H 8.46 0.02 1 219 50 GLY C C 176.07 0.1 1 220 50 GLY CA C 44.35 0.1 1 221 50 GLY N N 106.44 0.05 1 222 51 ASP H H 8.70 0.02 1 223 51 ASP C C 174.36 0.1 1 224 51 ASP CA C 57.68 0.1 1 225 51 ASP CB C 40.20 0.1 1 226 51 ASP N N 121.90 0.05 1 227 52 ASP H H 8.42 0.02 1 228 52 ASP C C 175.77 0.1 1 229 52 ASP CA C 53.30 0.1 1 230 52 ASP CB C 39.98 0.1 1 231 52 ASP N N 115.64 0.05 1 232 53 ALA H H 7.22 0.02 1 233 53 ALA C C 176.86 0.1 1 234 53 ALA CA C 51.09 0.1 1 235 53 ALA CB C 17.87 0.1 1 236 53 ALA N N 123.72 0.05 1 237 54 PRO C C 176.18 0.1 1 238 54 PRO CA C 64.14 0.1 1 239 54 PRO CB C 30.98 0.1 1 240 55 GLY H H 7.47 0.02 1 241 55 GLY C C 172.72 0.1 1 242 55 GLY CA C 44.73 0.1 1 243 55 GLY N N 106.17 0.05 1 244 56 GLU H H 9.07 0.02 1 245 56 GLU C C 175.94 0.1 1 246 56 GLU CA C 56.07 0.1 1 247 56 GLU CB C 32.47 0.1 1 248 56 GLU N N 124.06 0.05 1 249 57 THR H H 8.11 0.02 1 250 57 THR C C 171.77 0.1 1 251 57 THR CA C 62.29 0.1 1 252 57 THR CB C 70.31 0.1 1 253 57 THR N N 120.40 0.05 1 254 58 TRP C C 173.73 0.1 1 255 58 TRP CA C 56.70 0.1 1 256 58 TRP CB C 31.43 0.1 1 257 59 HIS H H 9.42 0.02 1 258 59 HIS C C 173.83 0.1 1 259 59 HIS CA C 55.95 0.1 1 260 59 HIS CB C 34.64 0.1 1 261 59 HIS N N 122.36 0.05 1 262 60 MET H H 8.48 0.02 1 263 60 MET C C 173.22 0.1 1 264 60 MET CA C 52.47 0.1 1 265 60 MET CB C 34.99 0.1 1 266 60 MET N N 124.65 0.05 1 267 61 VAL H H 8.18 0.02 1 268 61 VAL C C 175.62 0.1 1 269 61 VAL CA C 60.09 0.1 1 270 61 VAL CB C 34.77 0.1 1 271 61 VAL N N 118.36 0.05 1 272 62 PHE H H 9.51 0.02 1 273 62 PHE C C 176.15 0.1 1 274 62 PHE CA C 52.28 0.1 1 275 62 PHE CB C 40.53 0.1 1 276 62 PHE N N 126.07 0.05 1 277 63 SER H H 9.37 0.02 1 278 63 SER C C 174.81 0.1 1 279 63 SER CA C 58.11 0.1 1 280 63 SER CB C 64.81 0.1 1 281 63 SER N N 116.70 0.05 1 282 64 THR H H 8.19 0.02 1 283 64 THR C C 175.73 0.1 1 284 64 THR CA C 60.37 0.1 1 285 64 THR CB C 71.15 0.1 1 286 64 THR N N 108.65 0.05 1 287 65 GLU H H 8.09 0.02 1 288 65 GLU C C 175.94 0.1 1 289 65 GLU CA C 58.30 0.1 1 290 65 GLU CB C 29.12 0.1 1 291 65 GLU N N 112.93 0.05 1 292 66 GLY H H 8.22 0.02 1 293 66 GLY C C 176.17 0.1 1 294 66 GLY CA C 46.16 0.1 1 295 66 GLY N N 107.22 0.05 1 296 67 LYS H H 8.22 0.02 1 297 67 LYS C C 175.52 0.1 1 298 67 LYS CA C 57.09 0.1 1 299 67 LYS CB C 31.54 0.1 1 300 67 LYS N N 117.79 0.05 1 301 68 ILE H H 6.29 0.02 1 302 68 ILE C C 173.26 0.1 1 303 68 ILE CA C 57.48 0.1 1 304 68 ILE CB C 38.32 0.1 1 305 68 ILE N N 113.20 0.05 1 306 69 PRO C C 174.99 0.1 1 307 69 PRO CA C 61.81 0.1 1 308 69 PRO CB C 27.71 0.1 1 309 70 TYR H H 7.67 0.02 1 310 70 TYR C C 173.28 0.1 1 311 70 TYR CA C 56.57 0.1 1 312 70 TYR CB C 40.46 0.1 1 313 70 TYR N N 119.81 0.05 1 314 71 ARG H H 8.94 0.02 1 315 71 ARG C C 173.98 0.1 1 316 71 ARG CA C 53.08 0.1 1 317 71 ARG CB C 33.42 0.1 1 318 71 ARG N N 119.53 0.05 1 319 72 GLU H H 9.03 0.02 1 320 72 GLU C C 176.76 0.1 1 321 72 GLU CA C 60.40 0.1 1 322 72 GLU CB C 29.13 0.1 1 323 72 GLU N N 120.72 0.05 1 324 73 GLY H H 8.46 0.02 1 325 73 GLY C C 176.88 0.1 1 326 73 GLY CA C 45.99 0.1 1 327 73 GLY N N 110.91 0.05 1 328 74 GLN H H 7.83 0.02 1 329 74 GLN C C 175.00 0.1 1 330 74 GLN CA C 57.58 0.1 1 331 74 GLN CB C 32.45 0.1 1 332 74 GLN N N 116.84 0.05 1 333 75 SER H H 9.05 0.02 1 334 75 SER C C 173.79 0.1 1 335 75 SER CA C 58.59 0.1 1 336 75 SER CB C 66.53 0.1 1 337 75 SER N N 114.88 0.05 1 338 76 ILE H H 8.58 0.02 1 339 76 ILE C C 173.95 0.1 1 340 76 ILE CA C 59.82 0.1 1 341 76 ILE CB C 42.25 0.1 1 342 76 ILE N N 114.66 0.05 1 343 77 GLY H H 8.42 0.02 1 344 77 GLY C C 173.30 0.1 1 345 77 GLY CA C 43.90 0.1 1 346 77 GLY N N 108.80 0.05 1 347 78 VAL H H 8.71 0.02 1 348 78 VAL C C 176.38 0.1 1 349 78 VAL CA C 60.54 0.1 1 350 78 VAL CB C 35.90 0.1 1 351 78 VAL N N 119.62 0.05 1 352 79 ILE H H 7.83 0.02 1 353 79 ILE C C 174.31 0.1 1 354 79 ILE CA C 59.65 0.1 1 355 79 ILE CB C 38.59 0.1 1 356 79 ILE N N 129.27 0.05 1 357 80 ALA H H 8.68 0.02 1 358 80 ALA C C 175.32 0.1 1 359 80 ALA CA C 51.78 0.1 1 360 80 ALA CB C 17.88 0.1 1 361 80 ALA N N 130.60 0.05 1 362 81 ASP H H 4.34 0.02 1 363 81 ASP C C 176.21 0.1 1 364 81 ASP CA C 55.02 0.1 1 365 81 ASP CB C 41.53 0.1 1 366 81 ASP N N 118.00 0.05 1 367 82 GLY H H 8.29 0.02 1 368 82 GLY C C 173.83 0.1 1 369 82 GLY CA C 43.93 0.1 1 370 82 GLY N N 105.69 0.05 1 371 83 VAL H H 7.86 0.02 1 372 83 VAL C C 175.02 0.1 1 373 83 VAL CA C 58.45 0.1 1 374 83 VAL CB C 35.82 0.1 1 375 83 VAL N N 112.33 0.05 1 376 84 ASP H H 8.61 0.02 1 377 84 ASP C C 178.53 0.1 1 378 84 ASP CA C 52.13 0.1 1 379 84 ASP CB C 41.17 0.1 1 380 84 ASP N N 121.16 0.05 1 381 85 LYS H H 8.24 0.02 1 382 85 LYS C C 176.94 0.1 1 383 85 LYS CA C 58.58 0.1 1 384 85 LYS CB C 31.61 0.1 1 385 85 LYS N N 116.81 0.05 1 386 86 ASN H H 8.19 0.02 1 387 86 ASN C C 175.49 0.1 1 388 86 ASN CA C 52.82 0.1 1 389 86 ASN CB C 39.53 0.1 1 390 86 ASN N N 116.57 0.05 1 391 87 GLY H H 8.15 0.02 1 392 87 GLY C C 173.84 0.1 1 393 87 GLY CA C 45.60 0.1 1 394 87 GLY N N 108.73 0.05 1 395 88 LYS H H 8.05 0.02 1 396 88 LYS C C 173.15 0.1 1 397 88 LYS CA C 52.96 0.1 1 398 88 LYS CB C 31.57 0.1 1 399 88 LYS N N 121.99 0.05 1 400 89 PRO C C 176.86 0.1 1 401 89 PRO CA C 62.50 0.1 1 402 89 PRO CB C 31.54 0.1 1 403 90 HIS H H 8.25 0.02 1 404 90 HIS C C 175.71 0.1 1 405 90 HIS CA C 57.57 0.1 1 406 90 HIS CB C 31.19 0.1 1 407 90 HIS N N 122.45 0.05 1 408 91 LYS H H 8.16 0.02 1 409 91 LYS C C 178.03 0.1 1 410 91 LYS CA C 55.78 0.1 1 411 91 LYS CB C 32.81 0.1 1 412 91 LYS N N 119.54 0.05 1 413 92 VAL H H 8.41 0.02 1 414 92 VAL C C 176.12 0.1 1 415 92 VAL CA C 63.81 0.1 1 416 92 VAL CB C 32.96 0.1 1 417 92 VAL N N 125.07 0.05 1 418 93 ARG H H 7.80 0.02 1 419 93 ARG C C 174.65 0.1 1 420 93 ARG CA C 56.11 0.1 1 421 93 ARG CB C 35.19 0.1 1 422 93 ARG N N 127.24 0.05 1 423 94 LEU H H 7.37 0.02 1 424 94 LEU C C 174.86 0.1 1 425 94 LEU CA C 53.07 0.1 1 426 94 LEU CB C 43.74 0.1 1 427 94 LEU N N 118.17 0.05 1 428 95 TYR H H 8.55 0.02 1 429 95 TYR C C 174.12 0.1 1 430 95 TYR CA C 57.21 0.1 1 431 95 TYR CB C 43.29 0.1 1 432 95 TYR N N 115.46 0.05 1 433 96 SER H H 8.33 0.02 1 434 96 SER C C 172.69 0.1 1 435 96 SER CA C 59.89 0.1 1 436 96 SER CB C 64.58 0.1 1 437 96 SER N N 120.98 0.05 1 438 97 ILE H H 8.23 0.02 1 439 97 ILE C C 175.67 0.1 1 440 97 ILE CA C 64.12 0.1 1 441 97 ILE CB C 37.98 0.1 1 442 97 ILE N N 124.67 0.05 1 443 98 ALA H H 8.20 0.02 1 444 98 ALA C C 175.46 0.1 1 445 98 ALA CA C 50.51 0.1 1 446 98 ALA CB C 19.05 0.1 1 447 98 ALA N N 126.83 0.05 1 448 99 SER H H 7.41 0.02 1 449 99 SER C C 175.97 0.1 1 450 99 SER CA C 54.13 0.1 1 451 99 SER CB C 66.25 0.1 1 452 99 SER N N 110.23 0.05 1 453 100 SER H H 8.62 0.02 1 454 100 SER C C 175.73 0.1 1 455 100 SER CA C 58.18 0.1 1 456 100 SER CB C 63.94 0.1 1 457 100 SER N N 117.06 0.05 1 458 101 ALA H H 9.25 0.02 1 459 101 ALA C C 179.85 0.1 1 460 101 ALA CA C 55.47 0.1 1 461 101 ALA CB C 18.47 0.1 1 462 101 ALA N N 124.44 0.05 1 463 102 ILE H H 7.73 0.02 1 464 102 ILE C C 178.83 0.1 1 465 102 ILE CA C 62.97 0.1 1 466 102 ILE CB C 37.33 0.1 1 467 102 ILE N N 113.44 0.05 1 468 103 GLY H H 7.89 0.02 1 469 103 GLY C C 175.47 0.1 1 470 103 GLY CA C 45.09 0.1 1 471 103 GLY N N 112.76 0.05 1 472 104 ASP H H 9.67 0.02 1 473 104 ASP C C 177.49 0.1 1 474 104 ASP CA C 56.58 0.1 1 475 104 ASP CB C 40.07 0.1 1 476 104 ASP N N 119.62 0.05 1 477 105 PHE H H 7.45 0.02 1 478 105 PHE C C 177.18 0.1 1 479 105 PHE CA C 56.14 0.1 1 480 105 PHE CB C 38.41 0.1 1 481 105 PHE N N 114.29 0.05 1 482 106 GLY H H 7.84 0.02 1 483 106 GLY C C 174.23 0.1 1 484 106 GLY CA C 46.82 0.1 1 485 106 GLY N N 107.46 0.05 1 486 107 ASP H H 7.21 0.02 1 487 107 ASP C C 176.26 0.1 1 488 107 ASP CA C 53.31 0.1 1 489 107 ASP CB C 42.39 0.1 1 490 107 ASP N N 116.83 0.05 1 491 108 SER H H 9.32 0.02 1 492 108 SER C C 175.51 0.1 1 493 108 SER CA C 60.10 0.1 1 494 108 SER CB C 61.38 0.1 1 495 108 SER N N 112.08 0.05 1 496 109 LYS H H 7.79 0.02 1 497 109 LYS C C 177.21 0.1 1 498 109 LYS CA C 55.12 0.1 1 499 109 LYS CB C 33.72 0.1 1 500 109 LYS N N 113.58 0.05 1 501 110 THR H H 7.40 0.02 1 502 110 THR C C 171.87 0.1 1 503 110 THR CA C 60.65 0.1 1 504 110 THR CB C 73.56 0.1 1 505 110 THR N N 108.38 0.05 1 506 111 VAL H H 8.87 0.02 1 507 111 VAL C C 171.69 0.1 1 508 111 VAL CA C 60.81 0.1 1 509 111 VAL CB C 34.67 0.1 1 510 111 VAL N N 117.62 0.05 1 511 114 CYS C C 174.59 0.1 1 512 114 CYS CA C 58.15 0.1 1 513 114 CYS CB C 28.29 0.1 1 514 115 VAL H H 9.32 0.02 1 515 115 VAL C C 174.44 0.1 1 516 115 VAL CA C 61.89 0.1 1 517 115 VAL CB C 36.04 0.1 1 518 115 VAL N N 126.87 0.05 1 519 116 LYS H H 8.03 0.02 1 520 116 LYS C C 176.86 0.1 1 521 116 LYS CA C 54.57 0.1 1 522 116 LYS CB C 33.87 0.1 1 523 116 LYS N N 128.29 0.05 1 524 117 ARG H H 9.04 0.02 1 525 117 ARG C C 175.22 0.1 1 526 117 ARG CA C 58.17 0.1 1 527 117 ARG CB C 30.49 0.1 1 528 117 ARG N N 129.31 0.05 1 529 118 LEU H H 8.66 0.02 1 530 118 LEU C C 175.46 0.1 1 531 118 LEU CA C 56.19 0.1 1 532 118 LEU CB C 41.88 0.1 1 533 118 LEU N N 132.78 0.05 1 534 119 ILE H H 8.31 0.02 1 535 119 ILE C C 174.46 0.1 1 536 119 ILE CA C 60.67 0.1 1 537 119 ILE CB C 41.21 0.1 1 538 119 ILE N N 131.88 0.05 1 539 120 TYR H H 8.79 0.02 1 540 120 TYR C C 172.05 0.1 1 541 120 TYR CA C 56.14 0.1 1 542 120 TYR CB C 40.05 0.1 1 543 120 TYR N N 124.72 0.05 1 544 121 THR H H 8.29 0.02 1 545 121 THR C C 175.30 0.1 1 546 121 THR CA C 60.64 0.1 1 547 121 THR CB C 70.02 0.1 1 548 121 THR N N 114.38 0.05 1 549 122 ASN H H 8.75 0.02 1 550 122 ASN C C 177.36 0.1 1 551 122 ASN CA C 51.24 0.1 1 552 122 ASN CB C 38.93 0.1 1 553 122 ASN N N 124.81 0.05 1 554 123 ASP H H 8.44 0.02 1 555 123 ASP C C 176.59 0.1 1 556 123 ASP CA C 56.83 0.1 1 557 123 ASP CB C 40.17 0.1 1 558 123 ASP N N 118.24 0.05 1 559 124 ALA H H 7.51 0.02 1 560 124 ALA C C 177.78 0.1 1 561 124 ALA CA C 51.76 0.1 1 562 124 ALA CB C 18.66 0.1 1 563 124 ALA N N 120.98 0.05 1 564 125 GLY H H 8.11 0.02 1 565 125 GLY C C 174.16 0.1 1 566 125 GLY CA C 45.37 0.1 1 567 125 GLY N N 107.46 0.05 1 568 126 GLU H H 7.86 0.02 1 569 126 GLU C C 175.23 0.1 1 570 126 GLU CA C 54.82 0.1 1 571 126 GLU CB C 30.22 0.1 1 572 126 GLU N N 121.10 0.05 1 573 127 ILE H H 8.18 0.02 1 574 127 ILE C C 175.84 0.1 1 575 127 ILE CA C 61.09 0.1 1 576 127 ILE CB C 37.14 0.1 1 577 127 ILE N N 122.73 0.05 1 578 128 VAL H H 9.09 0.02 1 579 128 VAL C C 173.68 0.1 1 580 128 VAL CA C 61.37 0.1 1 581 128 VAL CB C 32.82 0.1 1 582 128 VAL N N 131.34 0.05 1 583 129 LYS H H 7.93 0.02 1 584 129 LYS C C 177.87 0.1 1 585 129 LYS CA C 54.53 0.1 1 586 129 LYS CB C 33.06 0.1 1 587 129 LYS N N 122.81 0.05 1 588 130 GLY H H 8.71 0.02 1 589 130 GLY C C 176.46 0.1 1 590 130 GLY CA C 47.19 0.1 1 591 130 GLY N N 113.00 0.05 1 592 131 VAL H H 8.88 0.02 1 593 131 VAL C C 178.01 0.1 1 594 131 VAL CA C 66.98 0.1 1 595 131 VAL CB C 32.58 0.1 1 596 131 VAL N N 127.57 0.05 1 597 132 CYS H H 10.81 0.02 1 598 132 CYS C C 177.10 0.1 1 599 132 CYS CA C 62.91 0.1 1 600 132 CYS CB C 27.63 0.1 1 601 132 CYS N N 125.35 0.05 1 602 133 SER H H 9.78 0.02 1 603 133 SER C C 177.27 0.1 1 604 133 SER CA C 62.74 0.1 1 605 133 SER N N 117.15 0.05 1 606 135 PHE C C 176.36 0.1 1 607 135 PHE CA C 60.75 0.1 1 608 136 LEU H H 6.78 0.02 1 609 136 LEU C C 177.97 0.1 1 610 136 LEU CA C 56.95 0.1 1 611 136 LEU CB C 41.93 0.1 1 612 136 LEU N N 123.71 0.05 1 613 137 CYS H H 7.50 0.02 1 614 137 CYS C C 173.26 0.1 1 615 137 CYS CA C 63.39 0.1 1 616 137 CYS CB C 25.38 0.1 1 617 137 CYS N N 113.36 0.05 1 618 138 ASP H H 6.82 0.02 1 619 138 ASP C C 176.62 0.1 1 620 138 ASP CA C 53.86 0.1 1 621 138 ASP CB C 40.54 0.1 1 622 138 ASP N N 115.17 0.05 1 623 139 LEU H H 6.89 0.02 1 624 139 LEU C C 177.23 0.1 1 625 139 LEU CA C 56.68 0.1 1 626 139 LEU CB C 43.22 0.1 1 627 139 LEU N N 123.28 0.05 1 628 140 GLN H H 8.67 0.02 1 629 140 GLN C C 173.84 0.1 1 630 140 GLN CA C 51.70 0.1 1 631 140 GLN CB C 29.46 0.1 1 632 140 GLN N N 120.48 0.05 1 633 141 PRO C C 177.44 0.1 1 634 141 PRO CA C 63.96 0.1 1 635 141 PRO CB C 30.88 0.1 1 636 142 GLY H H 9.40 0.02 1 637 142 GLY C C 174.46 0.1 1 638 142 GLY CA C 44.65 0.1 1 639 142 GLY N N 114.52 0.05 1 640 143 ASP H H 8.20 0.02 1 641 143 ASP C C 175.69 0.1 1 642 143 ASP CA C 55.07 0.1 1 643 143 ASP CB C 42.25 0.1 1 644 143 ASP N N 122.36 0.05 1 645 144 ASN H H 8.40 0.02 1 646 144 ASN C C 174.81 0.1 1 647 144 ASN CA C 52.70 0.1 1 648 144 ASN CB C 40.64 0.1 1 649 144 ASN N N 118.42 0.05 1 650 145 VAL H H 8.03 0.02 1 651 145 VAL C C 172.93 0.1 1 652 145 VAL CA C 60.13 0.1 1 653 145 VAL CB C 34.29 0.1 1 654 145 VAL N N 117.94 0.05 1 655 146 GLN H H 8.87 0.02 1 656 146 GLN C C 174.32 0.1 1 657 146 GLN CA C 56.08 0.1 1 658 146 GLN CB C 30.79 0.1 1 659 146 GLN N N 126.93 0.05 1 660 147 ILE H H 9.25 0.02 1 661 147 ILE C C 174.82 0.1 1 662 147 ILE CA C 59.97 0.1 1 663 147 ILE CB C 42.00 0.1 1 664 147 ILE N N 123.51 0.05 1 665 148 THR H H 9.10 0.02 1 666 148 THR C C 173.80 0.1 1 667 148 THR CA C 59.51 0.1 1 668 148 THR CB C 69.53 0.1 1 669 148 THR N N 114.61 0.05 1 670 149 GLY H H 8.75 0.02 1 671 149 GLY C C 173.51 0.1 1 672 149 GLY CA C 42.87 0.1 1 673 149 GLY N N 104.55 0.05 1 674 150 PRO C C 174.61 0.1 1 675 150 PRO CA C 62.82 0.1 1 676 150 PRO CB C 34.87 0.1 1 677 151 VAL H H 9.37 0.02 1 678 151 VAL C C 175.59 0.1 1 679 151 VAL CA C 62.35 0.1 1 680 151 VAL CB C 35.27 0.1 1 681 151 VAL N N 119.37 0.05 1 682 152 GLY H H 8.33 0.02 1 683 152 GLY C C 173.27 0.1 1 684 152 GLY CA C 45.51 0.1 1 685 152 GLY N N 113.85 0.05 1 686 153 LYS H H 8.18 0.02 1 687 153 LYS C C 173.30 0.1 1 688 153 LYS CA C 56.00 0.1 1 689 153 LYS CB C 34.70 0.1 1 690 153 LYS N N 116.86 0.05 1 691 154 GLU H H 8.41 0.02 1 692 154 GLU C C 178.29 0.1 1 693 154 GLU CA C 59.69 0.1 1 694 154 GLU CB C 30.28 0.1 1 695 154 GLU N N 122.14 0.05 1 696 155 MET H H 8.56 0.02 1 697 155 MET C C 173.70 0.1 1 698 155 MET CA C 52.97 0.1 1 699 155 MET CB C 29.78 0.1 1 700 155 MET N N 116.06 0.05 1 701 156 LEU H H 6.18 0.02 1 702 156 LEU C C 177.60 0.1 1 703 156 LEU CA C 54.39 0.1 1 704 156 LEU CB C 42.11 0.1 1 705 156 LEU N N 113.37 0.05 1 706 157 MET H H 9.08 0.02 1 707 157 MET C C 172.92 0.1 1 708 157 MET CA C 55.75 0.1 1 709 157 MET CB C 31.85 0.1 1 710 157 MET N N 119.04 0.05 1 711 158 PRO C C 175.87 0.1 1 712 158 PRO CA C 62.24 0.1 1 713 158 PRO CB C 32.48 0.1 1 714 159 LYS H H 8.53 0.02 1 715 159 LYS C C 176.96 0.1 1 716 159 LYS CA C 59.28 0.1 1 717 159 LYS CB C 33.16 0.1 1 718 159 LYS N N 124.28 0.05 1 719 160 ASP H H 7.57 0.02 1 720 160 ASP C C 176.37 0.1 1 721 160 ASP CA C 52.09 0.1 1 722 160 ASP CB C 41.66 0.1 1 723 160 ASP N N 116.24 0.05 1 724 161 PRO C C 174.20 0.1 1 725 161 PRO CA C 64.13 0.1 1 726 161 PRO CB C 31.10 0.1 1 727 162 ASN H H 8.56 0.02 1 728 162 ASN C C 174.47 0.1 1 729 162 ASN CA C 51.92 0.1 1 730 162 ASN CB C 39.18 0.1 1 731 162 ASN N N 117.57 0.05 1 732 163 ALA H H 6.92 0.02 1 733 163 ALA C C 176.75 0.1 1 734 163 ALA CA C 52.85 0.1 1 735 163 ALA CB C 20.42 0.1 1 736 163 ALA N N 122.11 0.05 1 737 164 THR H H 8.73 0.02 1 738 164 THR C C 174.20 0.1 1 739 164 THR CA C 62.13 0.1 1 740 164 THR CB C 68.49 0.1 1 741 164 THR N N 117.24 0.05 1 742 165 ILE H H 9.77 0.02 1 743 165 ILE C C 174.44 0.1 1 744 165 ILE CA C 61.02 0.1 1 745 165 ILE CB C 39.86 0.1 1 746 165 ILE N N 128.70 0.05 1 747 166 ILE H H 9.40 0.02 1 748 166 ILE C C 174.20 0.1 1 749 166 ILE CA C 60.45 0.1 1 750 166 ILE CB C 38.03 0.1 1 751 166 ILE N N 129.69 0.05 1 752 167 MET H H 9.19 0.02 1 753 167 MET C C 172.41 0.1 1 754 167 MET CA C 54.27 0.1 1 755 167 MET CB C 34.68 0.1 1 756 167 MET N N 128.17 0.05 1 757 168 LEU H H 8.76 0.02 1 758 168 LEU C C 173.71 0.1 1 759 168 LEU CA C 53.23 0.1 1 760 168 LEU CB C 41.69 0.1 1 761 168 LEU N N 122.98 0.05 1 762 169 ALA H H 9.04 0.02 1 763 169 ALA C C 177.34 0.1 1 764 169 ALA CA C 50.17 0.1 1 765 169 ALA CB C 23.17 0.1 1 766 169 ALA N N 126.34 0.05 1 767 170 THR H H 7.73 0.02 1 768 170 THR C C 175.43 0.1 1 769 170 THR CA C 58.85 0.1 1 770 170 THR CB C 72.36 0.1 1 771 170 THR N N 107.86 0.05 1 772 171 GLY H H 7.79 0.02 1 773 171 GLY C C 174.21 0.1 1 774 171 GLY CA C 47.65 0.1 1 775 171 GLY N N 109.51 0.05 1 776 172 THR H H 8.05 0.02 1 777 172 THR C C 176.24 0.1 1 778 172 THR CA C 64.80 0.1 1 779 172 THR CB C 69.54 0.1 1 780 172 THR N N 114.16 0.05 1 781 173 GLY H H 9.14 0.02 1 782 173 GLY C C 171.86 0.1 1 783 173 GLY CA C 46.53 0.1 1 784 173 GLY N N 114.72 0.05 1 785 174 ILE H H 7.66 0.02 1 786 174 ILE C C 176.45 0.1 1 787 174 ILE CA C 57.93 0.1 1 788 174 ILE CB C 38.39 0.1 1 789 174 ILE N N 114.39 0.05 1 790 175 ALA H H 7.98 0.02 1 791 175 ALA C C 174.03 0.1 1 792 175 ALA CA C 57.66 0.1 1 793 175 ALA CB C 17.36 0.1 1 794 175 ALA N N 124.57 0.05 1 795 176 PRO C C 176.65 0.1 1 796 176 PRO CA C 65.25 0.1 1 797 176 PRO CB C 29.08 0.1 1 798 177 PHE H H 6.37 0.02 1 799 177 PHE C C 177.66 0.1 1 800 177 PHE CA C 56.73 0.1 1 801 177 PHE CB C 36.26 0.1 1 802 177 PHE N N 118.23 0.05 1 803 178 ARG H H 8.27 0.02 1 804 178 ARG C C 177.16 0.1 1 805 178 ARG CA C 61.87 0.1 1 806 178 ARG CB C 29.05 0.1 1 807 178 ARG N N 123.28 0.05 1 808 179 SER H H 6.84 0.02 1 809 179 SER C C 176.45 0.1 1 810 179 SER CA C 62.43 0.1 1 811 179 SER CB C 63.90 0.1 1 812 179 SER N N 112.31 0.05 1 813 180 PHE H H 8.39 0.02 1 814 180 PHE C C 178.65 0.1 1 815 180 PHE CA C 58.75 0.1 1 816 180 PHE CB C 39.38 0.1 1 817 180 PHE N N 116.58 0.05 1 818 181 LEU H H 8.76 0.02 1 819 181 LEU C C 180.20 0.1 1 820 181 LEU CA C 57.85 0.1 1 821 181 LEU CB C 40.81 0.1 1 822 181 LEU N N 118.22 0.05 1 823 182 TRP H H 8.89 0.02 1 824 182 TRP N N 122.53 0.05 1 825 183 LYS C C 177.97 0.1 1 826 183 LYS CA C 59.82 0.1 1 827 183 LYS CB C 30.94 0.1 1 828 184 MET H H 8.35 0.02 1 829 184 MET C C 178.49 0.1 1 830 184 MET CA C 59.72 0.1 1 831 184 MET CB C 35.47 0.1 1 832 184 MET N N 114.16 0.05 1 833 185 PHE H H 8.41 0.02 1 834 185 PHE C C 176.68 0.1 1 835 185 PHE CA C 58.64 0.1 1 836 185 PHE CB C 41.21 0.1 1 837 185 PHE N N 111.58 0.05 1 838 186 PHE H H 8.10 0.02 1 839 186 PHE C C 176.19 0.1 1 840 186 PHE CA C 54.02 0.1 1 841 186 PHE CB C 39.27 0.1 1 842 186 PHE N N 117.30 0.05 1 843 187 GLU H H 7.15 0.02 1 844 187 GLU C C 175.18 0.1 1 845 187 GLU CA C 54.95 0.1 1 846 187 GLU CB C 33.59 0.1 1 847 187 GLU N N 118.64 0.05 1 848 188 LYS H H 8.27 0.02 1 849 188 LYS C C 175.15 0.1 1 850 188 LYS CA C 55.18 0.1 1 851 188 LYS CB C 33.05 0.1 1 852 188 LYS N N 122.27 0.05 1 853 189 HIS H H 9.03 0.02 1 854 189 HIS C C 175.45 0.1 1 855 189 HIS CA C 54.89 0.1 1 856 189 HIS CB C 31.90 0.1 1 857 189 HIS N N 123.79 0.05 1 858 190 ASP C C 176.48 0.1 1 859 190 ASP CA C 56.95 0.1 1 860 190 ASP CB C 40.45 0.1 1 861 191 ASP H H 8.56 0.02 1 862 191 ASP C C 175.65 0.1 1 863 191 ASP CA C 52.91 0.1 1 864 191 ASP CB C 40.42 0.1 1 865 191 ASP N N 114.11 0.05 1 866 192 TYR H H 7.21 0.02 1 867 192 TYR C C 171.69 0.1 1 868 192 TYR CA C 59.74 0.1 1 869 192 TYR CB C 39.82 0.1 1 870 192 TYR N N 120.95 0.05 1 871 193 LYS H H 7.92 0.02 1 872 193 LYS C C 174.14 0.1 1 873 193 LYS CA C 54.33 0.1 1 874 193 LYS CB C 32.23 0.1 1 875 193 LYS N N 129.24 0.05 1 876 194 PHE H H 8.87 0.02 1 877 194 PHE C C 175.94 0.1 1 878 194 PHE CA C 59.66 0.1 1 879 194 PHE CB C 39.20 0.1 1 880 194 PHE N N 125.93 0.05 1 881 195 ASN H H 8.14 0.02 1 882 195 ASN C C 174.20 0.1 1 883 195 ASN CA C 51.96 0.1 1 884 195 ASN CB C 40.17 0.1 1 885 195 ASN N N 126.41 0.05 1 886 196 GLY H H 8.18 0.02 1 887 196 GLY C C 173.76 0.1 1 888 196 GLY CA C 43.92 0.1 1 889 196 GLY N N 106.80 0.05 1 890 197 LEU H H 7.85 0.02 1 891 197 LEU C C 174.93 0.1 1 892 197 LEU CA C 53.69 0.1 1 893 197 LEU CB C 45.11 0.1 1 894 197 LEU N N 125.72 0.05 1 895 198 GLY H H 9.56 0.02 1 896 198 GLY C C 170.21 0.1 1 897 198 GLY CA C 44.71 0.1 1 898 198 GLY N N 115.68 0.05 1 899 199 TRP H H 9.32 0.02 1 900 199 TRP C C 173.08 0.1 1 901 199 TRP CA C 53.82 0.1 1 902 199 TRP CB C 31.72 0.1 1 903 199 TRP N N 129.02 0.05 1 904 200 LEU H H 8.84 0.02 1 905 200 LEU C C 173.16 0.1 1 906 200 LEU CA C 53.58 0.1 1 907 200 LEU CB C 45.59 0.1 1 908 200 LEU N N 128.47 0.05 1 909 201 PHE H H 9.22 0.02 1 910 201 PHE C C 173.80 0.1 1 911 201 PHE CA C 56.30 0.1 1 912 201 PHE CB C 41.70 0.1 1 913 201 PHE N N 124.72 0.05 1 914 202 LEU H H 7.96 0.02 1 915 202 LEU C C 175.03 0.1 1 916 202 LEU CA C 53.13 0.1 1 917 202 LEU CB C 44.46 0.1 1 918 202 LEU N N 121.66 0.05 1 919 203 GLY H H 9.41 0.02 1 920 203 GLY C C 172.77 0.1 1 921 203 GLY CA C 45.31 0.1 1 922 203 GLY N N 114.52 0.05 1 923 204 VAL H H 8.76 0.02 1 924 204 VAL C C 176.19 0.1 1 925 204 VAL CA C 59.15 0.1 1 926 204 VAL CB C 35.00 0.1 1 927 204 VAL N N 117.96 0.05 1 928 205 PRO C C 176.77 0.1 1 929 205 PRO CA C 65.24 0.1 1 930 205 PRO CB C 32.41 0.1 1 931 206 THR H H 6.43 0.02 1 932 206 THR C C 176.02 0.1 1 933 206 THR CA C 58.86 0.1 1 934 206 THR CB C 73.15 0.1 1 935 206 THR N N 129.51 0.05 1 936 207 SER H H 9.98 0.02 1 937 207 SER C C 177.34 0.1 1 938 207 SER CA C 63.35 0.1 1 939 207 SER CB C 61.95 0.1 1 940 207 SER N N 122.94 0.05 1 941 208 SER C C 174.05 0.1 1 942 208 SER CA C 58.37 0.1 1 943 208 SER CB C 63.63 0.1 1 944 209 SER H H 7.68 0.02 1 945 209 SER C C 173.24 0.1 1 946 209 SER CA C 57.88 0.1 1 947 209 SER CB C 64.08 0.1 1 948 209 SER N N 115.48 0.05 1 949 210 LEU H H 7.05 0.02 1 950 210 LEU C C 175.19 0.1 1 951 210 LEU CA C 55.64 0.1 1 952 210 LEU CB C 41.01 0.1 1 953 210 LEU N N 120.99 0.05 1 954 211 LEU C C 174.16 0.1 1 955 211 LEU CA C 54.56 0.1 1 956 211 LEU CB C 42.86 0.1 1 957 212 TYR H H 7.46 0.02 1 958 212 TYR C C 176.31 0.1 1 959 212 TYR CA C 58.94 0.1 1 960 212 TYR CB C 34.62 0.1 1 961 212 TYR N N 111.78 0.05 1 962 213 LYS H H 7.45 0.02 1 963 213 LYS C C 179.29 0.1 1 964 213 LYS CA C 59.99 0.1 1 965 213 LYS CB C 33.10 0.1 1 966 213 LYS N N 118.83 0.05 1 967 214 GLU H H 8.93 0.02 1 968 214 GLU C C 180.25 0.1 1 969 214 GLU CA C 59.29 0.1 1 970 214 GLU CB C 28.46 0.1 1 971 214 GLU N N 118.20 0.05 1 972 215 GLU H H 7.38 0.02 1 973 215 GLU C C 179.05 0.1 1 974 215 GLU CA C 59.70 0.1 1 975 215 GLU CB C 28.81 0.1 1 976 215 GLU N N 120.45 0.05 1 977 216 PHE H H 7.58 0.02 1 978 216 PHE C C 179.52 0.1 1 979 216 PHE CA C 58.98 0.1 1 980 216 PHE CB C 36.82 0.1 1 981 216 PHE N N 118.87 0.05 1 982 217 GLY H H 8.49 0.02 1 983 217 GLY C C 176.90 0.1 1 984 217 GLY CA C 47.24 0.1 1 985 217 GLY N N 106.56 0.05 1 986 218 LYS H H 7.51 0.02 1 987 218 LYS C C 179.78 0.1 1 988 218 LYS CA C 58.94 0.1 1 989 218 LYS CB C 32.04 0.1 1 990 218 LYS N N 122.61 0.05 1 991 219 MET H H 8.06 0.02 1 992 219 MET C C 176.97 0.1 1 993 219 MET CA C 60.17 0.1 1 994 219 MET CB C 31.70 0.1 1 995 219 MET N N 120.59 0.05 1 996 220 LYS H H 7.99 0.02 1 997 220 LYS C C 177.50 0.1 1 998 220 LYS CA C 58.20 0.1 1 999 220 LYS CB C 31.57 0.1 1 1000 220 LYS N N 117.96 0.05 1 1001 221 GLU H H 7.34 0.02 1 1002 221 GLU C C 178.57 0.1 1 1003 221 GLU CA C 58.59 0.1 1 1004 221 GLU CB C 29.76 0.1 1 1005 221 GLU N N 115.70 0.05 1 1006 222 ARG H H 7.46 0.02 1 1007 222 ARG C C 176.63 0.1 1 1008 222 ARG CA C 57.26 0.1 1 1009 222 ARG CB C 30.59 0.1 1 1010 222 ARG N N 116.46 0.05 1 1011 223 ALA H H 7.79 0.02 1 1012 223 ALA C C 174.15 0.1 1 1013 223 ALA CA C 50.38 0.1 1 1014 223 ALA CB C 19.34 0.1 1 1015 223 ALA N N 123.25 0.05 1 1016 224 PRO C C 179.21 0.1 1 1017 224 PRO CA C 65.51 0.1 1 1018 224 PRO CB C 31.50 0.1 1 1019 225 GLU H H 8.49 0.02 1 1020 225 GLU C C 177.16 0.1 1 1021 225 GLU CA C 56.59 0.1 1 1022 225 GLU CB C 29.66 0.1 1 1023 225 GLU N N 113.81 0.05 1 1024 226 ASN H H 7.42 0.02 1 1025 226 ASN C C 172.28 0.1 1 1026 226 ASN CA C 54.41 0.1 1 1027 226 ASN CB C 42.46 0.1 1 1028 226 ASN N N 114.09 0.05 1 1029 227 PHE H H 7.48 0.02 1 1030 227 PHE C C 172.65 0.1 1 1031 227 PHE CA C 54.78 0.1 1 1032 227 PHE CB C 41.96 0.1 1 1033 227 PHE N N 121.26 0.05 1 1034 228 ARG H H 8.16 0.02 1 1035 228 ARG C C 171.71 0.1 1 1036 228 ARG CA C 54.29 0.1 1 1037 228 ARG CB C 33.24 0.1 1 1038 228 ARG N N 126.96 0.05 1 1039 229 VAL H H 7.50 0.02 1 1040 229 VAL C C 172.41 0.1 1 1041 229 VAL CA C 58.25 0.1 1 1042 229 VAL CB C 33.19 0.1 1 1043 229 VAL N N 118.17 0.05 1 1044 230 ASP H H 8.61 0.02 1 1045 230 ASP C C 173.65 0.1 1 1046 230 ASP CA C 53.34 0.1 1 1047 230 ASP CB C 46.50 0.1 1 1048 230 ASP N N 127.72 0.05 1 1049 231 TYR H H 8.64 0.02 1 1050 231 TYR C C 175.77 0.1 1 1051 231 TYR CA C 55.62 0.1 1 1052 231 TYR CB C 40.41 0.1 1 1053 231 TYR N N 119.88 0.05 1 1054 232 ALA H H 9.22 0.02 1 1055 232 ALA C C 174.75 0.1 1 1056 232 ALA CA C 50.99 0.1 1 1057 232 ALA CB C 20.50 0.1 1 1058 232 ALA N N 128.39 0.05 1 1059 233 VAL H H 8.15 0.02 1 1060 233 VAL C C 178.28 0.1 1 1061 233 VAL CA C 60.27 0.1 1 1062 233 VAL CB C 30.42 0.1 1 1063 233 VAL N N 126.32 0.05 1 1064 234 SER H H 8.24 0.02 1 1065 234 SER C C 176.99 0.1 1 1066 234 SER CA C 57.15 0.1 1 1067 234 SER N N 122.82 0.05 1 1068 235 ARG H H 8.78 0.02 1 1069 235 ARG C C 176.90 0.1 1 1070 235 ARG CA C 57.45 0.1 1 1071 235 ARG CB C 29.71 0.1 1 1072 235 ARG N N 117.12 0.05 1 1073 236 GLU H H 7.09 0.02 1 1074 236 GLU C C 175.45 0.1 1 1075 236 GLU CA C 56.06 0.1 1 1076 236 GLU CB C 33.33 0.1 1 1077 236 GLU N N 113.51 0.05 1 1078 237 GLN H H 7.76 0.02 1 1079 237 GLN C C 175.65 0.1 1 1080 237 GLN CA C 54.43 0.1 1 1081 237 GLN CB C 30.80 0.1 1 1082 237 GLN N N 117.37 0.05 1 1083 238 THR H H 8.20 0.02 1 1084 238 THR C C 174.78 0.1 1 1085 238 THR CA C 59.18 0.1 1 1086 238 THR CB C 72.81 0.1 1 1087 238 THR N N 112.51 0.05 1 1088 239 ASN H H 8.39 0.02 1 1089 239 ASN C C 177.45 0.1 1 1090 239 ASN CA C 50.90 0.1 1 1091 239 ASN CB C 38.55 0.1 1 1092 239 ASN N N 119.12 0.05 1 1093 240 ALA C C 178.33 0.1 1 1094 240 ALA CA C 54.98 0.1 1 1095 240 ALA CB C 17.91 0.1 1 1096 241 ALA H H 7.26 0.02 1 1097 241 ALA C C 177.71 0.1 1 1098 241 ALA CA C 51.79 0.1 1 1099 241 ALA CB C 18.64 0.1 1 1100 241 ALA N N 118.49 0.05 1 1101 242 GLY H H 8.02 0.02 1 1102 242 GLY C C 174.26 0.1 1 1103 242 GLY CA C 45.13 0.1 1 1104 242 GLY N N 107.08 0.05 1 1105 243 GLU H H 8.07 0.02 1 1106 243 GLU C C 176.48 0.1 1 1107 243 GLU CA C 55.49 0.1 1 1108 243 GLU CB C 29.80 0.1 1 1109 243 GLU N N 121.11 0.05 1 1110 244 ARG H H 8.40 0.02 1 1111 244 ARG C C 176.46 0.1 1 1112 244 ARG CA C 57.05 0.1 1 1113 244 ARG CB C 30.03 0.1 1 1114 244 ARG N N 120.91 0.05 1 1115 245 MET H H 7.21 0.02 1 1116 245 MET C C 174.19 0.1 1 1117 245 MET CA C 53.58 0.1 1 1118 245 MET CB C 30.43 0.1 1 1119 245 MET N N 120.61 0.05 1 1120 246 TYR H H 7.51 0.02 1 1121 246 TYR C C 178.24 0.1 1 1122 246 TYR CA C 58.47 0.1 1 1123 246 TYR CB C 40.25 0.1 1 1124 246 TYR N N 123.70 0.05 1 1125 247 ILE H H 9.69 0.02 1 1126 247 ILE C C 176.34 0.1 1 1127 247 ILE CA C 66.23 0.1 1 1128 247 ILE CB C 37.64 0.1 1 1129 247 ILE N N 122.38 0.05 1 1130 248 GLN H H 9.20 0.02 1 1131 248 GLN C C 175.41 0.1 1 1132 248 GLN CA C 57.97 0.1 1 1133 248 GLN CB C 25.24 0.1 1 1134 248 GLN N N 120.58 0.05 1 1135 249 THR H H 7.16 0.02 1 1136 249 THR C C 176.76 0.1 1 1137 249 THR CA C 65.20 0.1 1 1138 249 THR CB C 67.69 0.1 1 1139 249 THR N N 122.59 0.05 1 1140 250 ARG H H 7.63 0.02 1 1141 250 ARG C C 178.67 0.1 1 1142 250 ARG CA C 57.08 0.1 1 1143 250 ARG CB C 28.23 0.1 1 1144 250 ARG N N 122.04 0.05 1 1145 251 MET H H 8.24 0.02 1 1146 251 MET C C 178.41 0.1 1 1147 251 MET CA C 59.60 0.1 1 1148 251 MET CB C 33.53 0.1 1 1149 251 MET N N 118.40 0.05 1 1150 252 ALA H H 7.70 0.02 1 1151 252 ALA C C 179.66 0.1 1 1152 252 ALA CA C 54.68 0.1 1 1153 252 ALA CB C 17.48 0.1 1 1154 252 ALA N N 117.81 0.05 1 1155 253 GLU H H 7.33 0.02 1 1156 253 GLU C C 176.97 0.1 1 1157 253 GLU CA C 58.36 0.1 1 1158 253 GLU CB C 28.78 0.1 1 1159 253 GLU N N 117.34 0.05 1 1160 254 TYR H H 7.76 0.02 1 1161 254 TYR C C 177.56 0.1 1 1162 254 TYR CA C 56.19 0.1 1 1163 254 TYR CB C 39.84 0.1 1 1164 254 TYR N N 117.96 0.05 1 1165 255 LYS H H 7.08 0.02 1 1166 255 LYS C C 176.31 0.1 1 1167 255 LYS CA C 61.06 0.1 1 1168 255 LYS CB C 31.68 0.1 1 1169 255 LYS N N 118.68 0.05 1 1170 256 GLU H H 8.29 0.02 1 1171 256 GLU C C 179.24 0.1 1 1172 256 GLU CA C 60.61 0.1 1 1173 256 GLU CB C 28.26 0.1 1 1174 256 GLU N N 118.71 0.05 1 1175 257 GLU H H 8.32 0.02 1 1176 257 GLU C C 179.69 0.1 1 1177 257 GLU CA C 59.67 0.1 1 1178 257 GLU CB C 30.12 0.1 1 1179 257 GLU N N 121.61 0.05 1 1180 258 LEU H H 8.70 0.02 1 1181 258 LEU C C 178.28 0.1 1 1182 258 LEU CA C 58.11 0.1 1 1183 258 LEU CB C 42.08 0.1 1 1184 258 LEU N N 118.46 0.05 1 1185 259 TRP H H 8.25 0.02 1 1186 259 TRP C C 177.26 0.1 1 1187 259 TRP CA C 59.43 0.1 1 1188 259 TRP CB C 30.83 0.1 1 1189 259 TRP N N 118.69 0.05 1 1190 260 GLU H H 7.55 0.02 1 1191 260 GLU C C 180.79 0.1 1 1192 260 GLU CA C 59.28 0.1 1 1193 260 GLU CB C 28.86 0.1 1 1194 260 GLU N N 114.59 0.05 1 1195 261 LEU H H 7.88 0.02 1 1196 261 LEU C C 180.91 0.1 1 1197 261 LEU CA C 58.08 0.1 1 1198 261 LEU CB C 41.26 0.1 1 1199 261 LEU N N 118.27 0.05 1 1200 262 LEU H H 8.22 0.02 1 1201 262 LEU C C 176.55 0.1 1 1202 262 LEU CA C 56.85 0.1 1 1203 262 LEU CB C 41.24 0.1 1 1204 262 LEU N N 122.85 0.05 1 1205 263 LYS H H 6.80 0.02 1 1206 263 LYS C C 176.90 0.1 1 1207 263 LYS CA C 56.89 0.1 1 1208 263 LYS CB C 32.41 0.1 1 1209 263 LYS N N 115.92 0.05 1 1210 264 LYS H H 7.43 0.02 1 1211 264 LYS C C 177.65 0.1 1 1212 264 LYS CA C 55.49 0.1 1 1213 264 LYS CB C 33.35 0.1 1 1214 264 LYS N N 118.65 0.05 1 1215 265 ASP H H 8.36 0.02 1 1216 265 ASP C C 175.54 0.1 1 1217 265 ASP CA C 55.52 0.1 1 1218 265 ASP CB C 40.76 0.1 1 1219 265 ASP N N 119.11 0.05 1 1220 266 ASN H H 7.74 0.02 1 1221 266 ASN C C 173.92 0.1 1 1222 266 ASN CA C 51.74 0.1 1 1223 266 ASN CB C 37.82 0.1 1 1224 266 ASN N N 115.00 0.05 1 1225 267 THR H H 6.72 0.02 1 1226 267 THR C C 172.53 0.1 1 1227 267 THR CA C 61.05 0.1 1 1228 267 THR CB C 69.92 0.1 1 1229 267 THR N N 116.27 0.05 1 1230 268 TYR H H 9.51 0.02 1 1231 268 TYR C C 173.52 0.1 1 1232 268 TYR CA C 57.06 0.1 1 1233 268 TYR CB C 42.68 0.1 1 1234 268 TYR N N 125.06 0.05 1 1235 269 VAL H H 8.61 0.02 1 1236 269 VAL C C 174.94 0.1 1 1237 269 VAL CA C 61.08 0.1 1 1238 269 VAL CB C 32.31 0.1 1 1239 269 VAL N N 124.02 0.05 1 1240 270 TYR H H 9.12 0.02 1 1241 270 TYR C C 173.53 0.1 1 1242 270 TYR CA C 55.86 0.1 1 1243 270 TYR CB C 44.06 0.1 1 1244 270 TYR N N 126.86 0.05 1 1245 271 MET H H 9.03 0.02 1 1246 271 MET C C 173.54 0.1 1 1247 271 MET CA C 53.57 0.1 1 1248 271 MET CB C 36.85 0.1 1 1249 271 MET N N 123.32 0.05 1 1250 272 CYS H H 9.23 0.02 1 1251 272 CYS C C 172.31 0.1 1 1252 272 CYS CA C 56.75 0.1 1 1253 272 CYS CB C 30.30 0.1 1 1254 272 CYS N N 127.06 0.05 1 1255 273 GLY H H 7.14 0.02 1 1256 273 GLY C C 170.03 0.1 1 1257 273 GLY CA C 43.74 0.1 1 1258 273 GLY N N 115.23 0.05 1 1259 274 LEU H H 7.20 0.02 1 1260 274 LEU C C 178.70 0.1 1 1261 274 LEU CA C 54.79 0.1 1 1262 274 LEU CB C 40.72 0.1 1 1263 274 LEU N N 121.74 0.05 1 1264 275 LYS H H 8.95 0.02 1 1265 275 LYS C C 177.12 0.1 1 1266 275 LYS CA C 58.91 0.1 1 1267 275 LYS CB C 32.08 0.1 1 1268 275 LYS N N 122.96 0.05 1 1269 278 GLU C C 171.71 0.1 1 1270 278 GLU CA C 60.03 0.1 1 1271 278 GLU CB C 37.35 0.1 1 1272 279 LYS H H 7.64 0.02 1 1273 279 LYS C C 178.12 0.1 1 1274 279 LYS CA C 59.29 0.1 1 1275 279 LYS CB C 31.91 0.1 1 1276 279 LYS N N 120.95 0.05 1 1277 280 GLY H H 7.85 0.02 1 1278 280 GLY C C 175.58 0.1 1 1279 280 GLY CA C 46.58 0.1 1 1280 280 GLY N N 105.19 0.05 1 1281 281 ILE H H 7.02 0.02 1 1282 281 ILE C C 177.24 0.1 1 1283 281 ILE CA C 65.20 0.1 1 1284 281 ILE CB C 37.57 0.1 1 1285 281 ILE N N 119.60 0.05 1 1286 282 ASP H H 7.80 0.02 1 1287 282 ASP C C 177.52 0.1 1 1288 282 ASP CA C 58.30 0.1 1 1289 282 ASP CB C 40.26 0.1 1 1290 282 ASP N N 120.69 0.05 1 1291 283 ASP H H 7.94 0.02 1 1292 283 ASP C C 179.47 0.1 1 1293 283 ASP CA C 57.79 0.1 1 1294 283 ASP CB C 40.06 0.1 1 1295 283 ASP N N 116.44 0.05 1 1296 284 ILE H H 7.06 0.02 1 1297 284 ILE C C 177.74 0.1 1 1298 284 ILE CA C 62.59 0.1 1 1299 284 ILE CB C 37.49 0.1 1 1300 284 ILE N N 116.20 0.05 1 1301 285 MET H H 7.27 0.02 1 1302 285 MET C C 178.52 0.1 1 1303 285 MET CA C 56.16 0.1 1 1304 285 MET CB C 27.81 0.1 1 1305 285 MET N N 120.79 0.05 1 1306 286 VAL H H 8.10 0.02 1 1307 286 VAL C C 178.50 0.1 1 1308 286 VAL CA C 66.44 0.1 1 1309 286 VAL CB C 31.69 0.1 1 1310 286 VAL N N 119.19 0.05 1 1311 287 SER H H 6.86 0.02 1 1312 287 SER C C 176.36 0.1 1 1313 287 SER CA C 60.98 0.1 1 1314 287 SER CB C 63.16 0.1 1 1315 287 SER N N 113.16 0.05 1 1316 288 LEU H H 6.88 0.02 1 1317 288 LEU C C 177.92 0.1 1 1318 288 LEU CA C 56.88 0.1 1 1319 288 LEU CB C 40.40 0.1 1 1320 288 LEU N N 123.48 0.05 1 1321 289 ALA H H 7.63 0.02 1 1322 289 ALA C C 180.18 0.1 1 1323 289 ALA CA C 54.66 0.1 1 1324 289 ALA CB C 18.15 0.1 1 1325 289 ALA N N 121.21 0.05 1 1326 290 GLU H H 7.92 0.02 1 1327 290 GLU C C 180.26 0.1 1 1328 290 GLU CA C 59.31 0.1 1 1329 290 GLU CB C 29.21 0.1 1 1330 290 GLU N N 117.23 0.05 1 1331 291 LYS H H 7.06 0.02 1 1332 291 LYS C C 177.40 0.1 1 1333 291 LYS CA C 58.82 0.1 1 1334 291 LYS CB C 31.41 0.1 1 1335 291 LYS N N 119.62 0.05 1 1336 292 ASP H H 7.15 0.02 1 1337 292 ASP C C 176.37 0.1 1 1338 292 ASP CA C 53.89 0.1 1 1339 292 ASP CB C 42.79 0.1 1 1340 292 ASP N N 118.09 0.05 1 1341 293 GLY H H 7.88 0.02 1 1342 293 GLY C C 174.32 0.1 1 1343 293 GLY CA C 46.19 0.1 1 1344 293 GLY N N 108.45 0.05 1 1345 294 ILE H H 7.67 0.02 1 1346 294 ILE C C 174.44 0.1 1 1347 294 ILE CA C 59.41 0.1 1 1348 294 ILE CB C 41.05 0.1 1 1349 294 ILE N N 119.21 0.05 1 1350 295 ASP H H 8.52 0.02 1 1351 295 ASP C C 176.70 0.1 1 1352 295 ASP CA C 52.77 0.1 1 1353 295 ASP CB C 41.82 0.1 1 1354 295 ASP N N 124.89 0.05 1 1355 296 TRP H H 9.14 0.02 1 1356 296 TRP C C 174.78 0.1 1 1357 296 TRP CA C 59.00 0.1 1 1358 296 TRP CB C 31.57 0.1 1 1359 296 TRP N N 128.56 0.05 1 1360 297 PHE H H 7.60 0.02 1 1361 297 PHE C C 178.80 0.1 1 1362 297 PHE CA C 62.60 0.1 1 1363 297 PHE CB C 37.14 0.1 1 1364 297 PHE N N 113.95 0.05 1 1365 298 ASP H H 7.64 0.02 1 1366 298 ASP C C 178.11 0.1 1 1367 298 ASP CA C 57.15 0.1 1 1368 298 ASP CB C 41.46 0.1 1 1369 298 ASP N N 120.75 0.05 1 1370 299 TYR H H 8.08 0.02 1 1371 299 TYR C C 177.45 0.1 1 1372 299 TYR CA C 60.95 0.1 1 1373 299 TYR CB C 38.61 0.1 1 1374 299 TYR N N 124.21 0.05 1 1375 300 LYS H H 8.50 0.02 1 1376 300 LYS C C 177.99 0.1 1 1377 300 LYS CA C 59.13 0.1 1 1378 300 LYS CB C 30.07 0.1 1 1379 300 LYS N N 119.21 0.05 1 1380 301 LYS H H 6.81 0.02 1 1381 301 LYS C C 179.17 0.1 1 1382 301 LYS CA C 59.92 0.1 1 1383 301 LYS CB C 31.62 0.1 1 1384 301 LYS N N 116.58 0.05 1 1385 302 GLN H H 7.27 0.02 1 1386 302 GLN C C 179.46 0.1 1 1387 302 GLN CA C 59.00 0.1 1 1388 302 GLN CB C 27.57 0.1 1 1389 302 GLN N N 120.30 0.05 1 1390 303 LEU H H 8.10 0.02 1 1391 303 LEU C C 180.02 0.1 1 1392 303 LEU CA C 57.84 0.1 1 1393 303 LEU CB C 41.94 0.1 1 1394 303 LEU N N 121.19 0.05 1 1395 304 LYS H H 8.62 0.02 1 1396 304 LYS C C 180.98 0.1 1 1397 304 LYS CA C 60.20 0.1 1 1398 304 LYS CB C 32.52 0.1 1 1399 304 LYS N N 120.84 0.05 1 1400 305 ARG H H 7.88 0.02 1 1401 305 ARG C C 177.19 0.1 1 1402 305 ARG CA C 59.02 0.1 1 1403 305 ARG CB C 29.64 0.1 1 1404 305 ARG N N 120.29 0.05 1 1405 306 GLY H H 7.55 0.02 1 1406 306 GLY C C 173.61 0.1 1 1407 306 GLY CA C 45.22 0.1 1 1408 306 GLY N N 106.27 0.05 1 1409 307 ASP H H 7.69 0.02 1 1410 307 ASP C C 175.56 0.1 1 1411 307 ASP CA C 57.56 0.1 1 1412 307 ASP CB C 39.82 0.1 1 1413 307 ASP N N 112.34 0.05 1 1414 308 GLN H H 8.26 0.02 1 1415 308 GLN C C 174.41 0.1 1 1416 308 GLN CA C 57.32 0.1 1 1417 308 GLN CB C 33.84 0.1 1 1418 308 GLN N N 113.26 0.05 1 1419 309 TRP H H 7.30 0.02 1 1420 309 TRP C C 173.54 0.1 1 1421 309 TRP CA C 58.08 0.1 1 1422 309 TRP CB C 30.03 0.1 1 1423 309 TRP N N 122.53 0.05 1 1424 310 ASN H H 8.08 0.02 1 1425 310 ASN C C 172.81 0.1 1 1426 310 ASN CA C 53.51 0.1 1 1427 310 ASN CB C 42.25 0.1 1 1428 310 ASN N N 128.13 0.05 1 1429 311 VAL H H 8.84 0.02 1 1430 311 VAL C C 174.99 0.1 1 1431 311 VAL CA C 61.71 0.1 1 1432 311 VAL CB C 35.84 0.1 1 1433 311 VAL N N 124.95 0.05 1 1434 312 GLU H H 8.85 0.02 1 1435 312 GLU C C 173.05 0.1 1 1436 312 GLU CA C 56.76 0.1 1 1437 312 GLU CB C 31.53 0.1 1 1438 312 GLU N N 130.84 0.05 1 1439 313 VAL H H 8.12 0.02 1 1440 313 VAL C C 176.49 0.1 1 1441 313 VAL CA C 58.18 0.1 1 1442 313 VAL CB C 34.89 0.1 1 1443 313 VAL N N 116.22 0.05 1 1444 314 TYR H H 7.81 0.02 1 1445 314 TYR C C 179.33 0.1 1 1446 314 TYR CA C 57.88 0.1 1 1447 314 TYR CB C 39.36 0.1 1 1448 314 TYR N N 123.55 0.05 1 stop_ save_