data_7313 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Backbone Resonance Assignments of the Pactolus I domain ; _BMRB_accession_number 7313 _BMRB_flat_file_name bmr7313.str _Entry_type original _Submission_date 2006-10-09 _Accession_date 2006-10-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H, 13C and 15N Backbone Resonance Assignments of the Pactolus I domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sen Mehmet . . 2 Legge Glen B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 161 "13C chemical shifts" 482 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-05-12 update BMRB 'complete entry citation' 2007-06-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Pactolus I-domain: Functional switching of the Rossmann fold' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17523188 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sen Mehmet . . 2 Legge Glen B. . stop_ _Journal_abbreviation Proteins _Journal_volume 68 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 626 _Page_last 635 _Year 2007 _Details . loop_ _Keyword integrin NMR Pactolus stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pactolus I-domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label I-domain $Pactolus_I-domain stop_ _System_molecular_weight 25367 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'apoptasis marker for neutrophils' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pactolus_I-domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pactolus I-domain' _Molecular_mass 25366 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'cellular elimation signals for neutrophils' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 230 _Mol_residue_sequence ; GSSHHHHHHGLVPRGSHDNS VDLYFLMGLSGSAQGHLSNV QTLGSDLLKALNEISRSGRI GFGSIVNMTFQHILKLTADS SQFQRELRKQLVSGKLATPK GQLDAVVQVAICLGEIGWRN GTRFLVLVTDNDFHLAKDKT LGTRQNTSDGRCHLDDGMYR SRGEPDYQSVVQLASKLAEN NIQPIFVVPSRMVKTYEKLT TFIPKLTIGELSDDSSNVAQ LIRNAYSKLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 107 GLY 2 108 SER 3 109 SER 4 110 HIS 5 111 HIS 6 112 HIS 7 113 HIS 8 114 HIS 9 115 HIS 10 116 GLY 11 117 LEU 12 118 VAL 13 119 PRO 14 120 ARG 15 121 GLY 16 122 SER 17 123 HIS 18 124 ASP 19 125 ASN 20 126 SER 21 127 VAL 22 128 ASP 23 129 LEU 24 130 TYR 25 131 PHE 26 132 LEU 27 133 MET 28 134 GLY 29 135 LEU 30 136 SER 31 137 GLY 32 138 SER 33 139 ALA 34 140 GLN 35 141 GLY 36 142 HIS 37 143 LEU 38 144 SER 39 145 ASN 40 146 VAL 41 147 GLN 42 148 THR 43 149 LEU 44 150 GLY 45 151 SER 46 152 ASP 47 153 LEU 48 154 LEU 49 155 LYS 50 156 ALA 51 157 LEU 52 158 ASN 53 159 GLU 54 160 ILE 55 161 SER 56 162 ARG 57 163 SER 58 164 GLY 59 165 ARG 60 166 ILE 61 167 GLY 62 168 PHE 63 169 GLY 64 170 SER 65 171 ILE 66 172 VAL 67 173 ASN 68 174 MET 69 175 THR 70 176 PHE 71 177 GLN 72 178 HIS 73 179 ILE 74 180 LEU 75 181 LYS 76 182 LEU 77 183 THR 78 184 ALA 79 185 ASP 80 186 SER 81 187 SER 82 188 GLN 83 189 PHE 84 190 GLN 85 191 ARG 86 192 GLU 87 193 LEU 88 194 ARG 89 195 LYS 90 196 GLN 91 197 LEU 92 198 VAL 93 199 SER 94 200 GLY 95 201 LYS 96 202 LEU 97 203 ALA 98 204 THR 99 205 PRO 100 206 LYS 101 207 GLY 102 208 GLN 103 209 LEU 104 210 ASP 105 211 ALA 106 212 VAL 107 213 VAL 108 214 GLN 109 215 VAL 110 216 ALA 111 217 ILE 112 218 CYS 113 219 LEU 114 220 GLY 115 221 GLU 116 222 ILE 117 223 GLY 118 224 TRP 119 225 ARG 120 226 ASN 121 227 GLY 122 228 THR 123 229 ARG 124 230 PHE 125 231 LEU 126 232 VAL 127 233 LEU 128 234 VAL 129 235 THR 130 236 ASP 131 237 ASN 132 238 ASP 133 239 PHE 134 240 HIS 135 241 LEU 136 242 ALA 137 243 LYS 138 244 ASP 139 245 LYS 140 246 THR 141 247 LEU 142 248 GLY 143 249 THR 144 250 ARG 145 251 GLN 146 252 ASN 147 253 THR 148 254 SER 149 255 ASP 150 256 GLY 151 257 ARG 152 258 CYS 153 259 HIS 154 260 LEU 155 261 ASP 156 262 ASP 157 263 GLY 158 264 MET 159 265 TYR 160 266 ARG 161 267 SER 162 268 ARG 163 269 GLY 164 270 GLU 165 271 PRO 166 272 ASP 167 273 TYR 168 274 GLN 169 275 SER 170 276 VAL 171 277 VAL 172 278 GLN 173 279 LEU 174 280 ALA 175 281 SER 176 282 LYS 177 283 LEU 178 284 ALA 179 285 GLU 180 286 ASN 181 287 ASN 182 288 ILE 183 289 GLN 184 290 PRO 185 291 ILE 186 292 PHE 187 293 VAL 188 294 VAL 189 295 PRO 190 296 SER 191 297 ARG 192 298 MET 193 299 VAL 194 300 LYS 195 301 THR 196 302 TYR 197 303 GLU 198 304 LYS 199 305 LEU 200 306 THR 201 307 THR 202 308 PHE 203 309 ILE 204 310 PRO 205 311 LYS 206 312 LEU 207 313 THR 208 314 ILE 209 315 GLY 210 316 GLU 211 317 LEU 212 318 SER 213 319 ASP 214 320 ASP 215 321 SER 216 322 SER 217 323 ASN 218 324 VAL 219 325 ALA 220 326 GLN 221 327 LEU 222 328 ILE 223 329 ARG 224 330 ASN 225 331 ALA 226 332 TYR 227 333 SER 228 334 LYS 229 335 LEU 230 336 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2IUE "Pactolus I-Domain: Functional Switching Of The Rossmann Fold" 92.17 212 100.00 100.00 2.43e-152 DBJ BAE23399 "unnamed protein product [Mus musculus]" 93.48 738 99.07 99.53 1.30e-146 GB AAC25502 "pactolus [Mus musculus]" 93.48 738 99.07 99.53 1.52e-146 GB AAI13143 "Integrin beta 2-like [Mus musculus]" 93.48 738 99.07 99.53 1.52e-146 GB EDL03670 "integrin beta 2-like, isoform CRA_b [Mus musculus]" 93.48 811 99.07 99.53 1.81e-145 GB EDL03671 "integrin beta 2-like, isoform CRA_c [Mus musculus]" 93.48 738 99.07 99.53 1.52e-146 REF NP_032431 "integrin beta-2-like protein precursor [Mus musculus]" 93.48 738 99.07 99.53 1.30e-146 REF XP_006522988 "PREDICTED: integrin beta 2-like isoform X1 [Mus musculus]" 93.48 844 99.07 99.53 2.94e-145 REF XP_006522989 "PREDICTED: integrin beta 2-like isoform X2 [Mus musculus]" 93.48 844 99.07 99.53 2.94e-145 REF XP_006522990 "PREDICTED: integrin beta 2-like isoform X3 [Mus musculus]" 93.48 844 99.07 99.53 2.94e-145 REF XP_006522991 "PREDICTED: integrin beta 2-like isoform X4 [Mus musculus]" 93.48 795 99.07 99.53 7.44e-146 SP Q3UV74 "RecName: Full=Integrin beta-2-like protein; AltName: Full=Protein pactolus; Flags: Precursor [Mus musculus]" 93.48 738 99.07 99.53 1.30e-146 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pactolus_I-domain Mouse 10090 Eukaryota Metazoa Mus musculus 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 _Details $Pactolus_I-domain 'recombinant technology' 'E. coli' . . . . pet28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_triple_labelled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Pactolus_I-domain 0.3 mM 0.29 0.31 '[U-99% 2H; U-99% 15N; U-99% 13C]' dTris 10 mM . . . NaN3 0.05 % . . . D20 5 % . . . stop_ save_ save_double_labelled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Pactolus_I-domain 0.3 mM 0.29 0.31 '[U-99% 15N; U-99% 13C]' dTris 10 mM . . . NaN3 0.05 % . . . D20 5 % . . . stop_ save_ save_15N_labelled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Pactolus_I-domain 0.3 mM 0.29 0.31 '[U-99% 15N]' dTris 10 mM . . . NaN3 0.05 % . . . D20 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'Data Processing' stop_ _Details 'Delaglio e., al., 1995' save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Task 'Data Analysis' stop_ _Details 'Johnson et., al., 2004' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Located at University of Houston-KECK NMR Center' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Located at University of Houston-KECK NMR Center' save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $triple_labelled_sample save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $triple_labelled_sample save_ save_HNCB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCB _Sample_label $triple_labelled_sample save_ save_HN(CO)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CB _Sample_label . save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $triple_labelled_sample save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $triple_labelled_sample save_ save_HSQC-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC-NOESY-HSQC _Sample_label $triple_labelled_sample save_ save_CACB(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CACB(CO)NH _Sample_label $triple_labelled_sample save_ save_CN-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name CN-NOESY _Sample_label $triple_labelled_sample save_ save_N-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name N-TOCSY _Sample_label $15N_labelled_sample save_ save_N-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name N-NOESY _Sample_label $15N_labelled_sample save_ save_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $15N_labelled_sample save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCB _Saveframe_category NMR_applied_experiment _Experiment_name HNCB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CB _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HSQC-NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name HSQC-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_CACB(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CACB(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CN-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name CN-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_N-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name N-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_N-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name N-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions _Saveframe_category sample_conditions _Details ; 10mM dTris (pH 6.8) 0.05%NaN3 5% D20 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 0 mM pH 6.8 0.1 pH pressure 1 0 atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Reference_correction_type _Correction_value_citation_label Water C 13 protons ppm 4.7 internal indirect . 'in sample' . 0.25144 $entry_citation temperature $entry_citation TSP H 1 'methyl protons' ppm 0.0 external indirect . 'in sample' . 1.00000 $entry_citation . $entry_citation Water N 15 protons ppm 4.7 internal indirect . 'in sample' . 0.10132 $entry_citation temperature $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Sequential Backbone assignment of (HN, CA, CB, C) of Pactolus I-domain' loop_ _Experiment_label HNCA HN(CO)CA HNCB HN(CO)CB HN(CA)CO HNCO HSQC-NOESY-HSQC CACB(CO)NH CN-NOESY N-TOCSY N-NOESY HSQC stop_ loop_ _Sample_label $triple_labelled_sample $double_labelled_sample $15N_labelled_sample stop_ _Sample_conditions_label $conditions _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name I-domain _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 124 18 ASP H H 8.2 0.02 1 2 124 18 ASP C C 172.7 0.1 1 3 124 18 ASP CA C 53.7 0.1 1 4 124 18 ASP CB C 40.9 0.1 1 5 124 18 ASP N N 119.4 0.02 1 6 125 19 ASN H H 8.8 0.02 1 7 125 19 ASN C C 172.3 0.1 1 8 125 19 ASN CA C 52.5 0.1 1 9 125 19 ASN CB C 38.4 0.1 1 10 125 19 ASN N N 113.6 0.02 1 11 126 20 SER H H 8.4 0.02 1 12 126 20 SER C C 170.4 0.1 1 13 126 20 SER CA C 59 0.1 1 14 126 20 SER CB C 63.7 0.1 1 15 126 20 SER N N 118.3 0.02 1 16 127 21 VAL H H 7.2 0.02 1 17 127 21 VAL C C 169.7 0.1 1 18 127 21 VAL CA C 61.2 0.1 1 19 127 21 VAL CB C 34.1 0.1 1 20 127 21 VAL N N 122.8 0.02 1 21 128 22 ASP H H 8.6 0.02 1 22 128 22 ASP C C 171.9 0.1 1 23 128 22 ASP CA C 52.5 0.1 1 24 128 22 ASP CB C 47.3 0.1 1 25 128 22 ASP N N 128.5 0.02 1 26 129 23 LEU H H 8.8 0.02 1 27 129 23 LEU CA C 54.3 0.1 1 28 129 23 LEU CB C 45.8 0.1 1 29 129 23 LEU N N 125.6 0.02 1 30 130 24 TYR H H 9.1 0.02 1 31 130 24 TYR CA C 58.2 0.1 1 32 130 24 TYR CB C 41.2 0.1 1 33 130 24 TYR N N 128 0.02 1 34 131 25 PHE H H 8 0.02 1 35 131 25 PHE CA C 55.8 0.1 1 36 131 25 PHE CB C 41 0.1 1 37 131 25 PHE N N 132.9 0.02 1 38 132 26 LEU H H 9.3 0.02 1 39 132 26 LEU C C 171.1 0.1 1 40 132 26 LEU CA C 53.7 0.1 1 41 132 26 LEU CB C 44.5 0.1 1 42 132 26 LEU N N 131.3 0.02 1 43 133 27 MET H H 8.4 0.02 1 44 133 27 MET C C 170.4 0.1 1 45 133 27 MET CA C 54.5 0.1 1 46 133 27 MET CB C 35.2 0.1 1 47 133 27 MET N N 125.6 0.02 1 48 134 28 GLY H H 9 0.02 1 49 134 28 GLY CA C 46.3 0.1 1 50 134 28 GLY N N 115.2 0.02 1 51 136 30 SER C C 172 0.1 1 52 137 31 GLY H H 8.6 0.02 1 53 137 31 GLY C C 171.8 0.1 1 54 137 31 GLY CA C 45.6 0.1 1 55 137 31 GLY N N 108.6 0.02 1 56 138 32 SER H H 8.2 0.02 1 57 138 32 SER C C 171.6 0.1 1 58 138 32 SER CA C 58.7 0.1 1 59 138 32 SER CB C 63.5 0.1 1 60 138 32 SER N N 115.8 0.02 1 61 139 33 ALA H H 7.8 0.02 1 62 139 33 ALA C C 174.7 0.1 1 63 139 33 ALA CA C 51.6 0.1 1 64 139 33 ALA CB C 18.9 0.1 1 65 139 33 ALA N N 125 0.02 1 66 142 36 HIS C C 173.8 0.1 1 67 142 36 HIS CA C 56.7 0.1 1 68 142 36 HIS CB C 30.4 0.1 1 69 143 37 LEU H H 7.7 0.02 1 70 143 37 LEU C C 176.1 0.1 1 71 143 37 LEU CA C 58.1 0.1 1 72 143 37 LEU CB C 40.1 0.1 1 73 143 37 LEU N N 120 0.02 1 74 144 38 SER H H 8.2 0.02 1 75 144 38 SER C C 173.7 0.1 1 76 144 38 SER CA C 60.7 0.1 1 77 144 38 SER N N 114.6 0.02 1 78 145 39 ASN H H 8 0.02 1 79 145 39 ASN C C 174.7 0.1 1 80 145 39 ASN CA C 54.8 0.1 1 81 145 39 ASN CB C 38 0.1 1 82 145 39 ASN N N 120.3 0.02 1 83 146 40 VAL H H 8.3 0.02 1 84 146 40 VAL C C 173.9 0.1 1 85 146 40 VAL CA C 66.2 0.1 1 86 146 40 VAL CB C 30.5 0.1 1 87 146 40 VAL N N 121.3 0.02 1 88 147 41 GLN H H 7.7 0.02 1 89 147 41 GLN C C 175.8 0.1 1 90 147 41 GLN CA C 59.3 0.1 1 91 147 41 GLN CB C 28 0.1 1 92 147 41 GLN N N 120.4 0.02 1 93 148 42 THR H H 8.1 0.02 1 94 148 42 THR C C 171.4 0.1 1 95 148 42 THR CA C 65.6 0.1 1 96 148 42 THR CB C 68.2 0.1 1 97 148 42 THR N N 117.2 0.02 1 98 149 43 LEU H H 8 0.02 1 99 149 43 LEU C C 175.8 0.1 1 100 149 43 LEU CA C 58 0.1 1 101 149 43 LEU CB C 40.7 0.1 1 102 149 43 LEU N N 123.6 0.02 1 103 150 44 GLY H H 8.5 0.02 1 104 150 44 GLY C C 171.6 0.1 1 105 150 44 GLY CA C 47.2 0.1 1 106 150 44 GLY N N 104.9 0.02 1 107 151 45 SER H H 7.7 0.02 1 108 151 45 SER C C 174.2 0.1 1 109 151 45 SER CA C 61.6 0.1 1 110 151 45 SER CB C 62.8 0.1 1 111 151 45 SER N N 116 0.02 1 112 152 46 ASP H H 8.7 0.02 1 113 152 46 ASP C C 176.8 0.1 1 114 152 46 ASP CA C 57 0.1 1 115 152 46 ASP CB C 39.8 0.1 1 116 152 46 ASP N N 124.5 0.02 1 117 153 47 LEU H H 8.6 0.02 1 118 153 47 LEU C C 175.3 0.1 1 119 153 47 LEU CA C 57.3 0.1 1 120 153 47 LEU CB C 40.6 0.1 1 121 153 47 LEU N N 121.6 0.02 1 122 154 48 LEU H H 7.5 0.02 1 123 154 48 LEU C C 175.8 0.1 1 124 154 48 LEU CA C 57.4 0.1 1 125 154 48 LEU CB C 40.8 0.1 1 126 154 48 LEU N N 119.4 0.02 1 127 155 49 LYS H H 7.6 0.02 1 128 155 49 LYS C C 176 0.1 1 129 155 49 LYS CA C 59.1 0.1 1 130 155 49 LYS CB C 31.6 0.1 1 131 155 49 LYS N N 119.3 0.02 1 132 156 50 ALA H H 7.7 0.02 1 133 156 50 ALA C C 176.3 0.1 1 134 156 50 ALA CA C 54.5 0.1 1 135 156 50 ALA CB C 17.4 0.1 1 136 156 50 ALA N N 121 0.02 1 137 157 51 LEU H H 8.2 0.02 1 138 157 51 LEU C C 174.7 0.1 1 139 157 51 LEU CA C 57.3 0.1 1 140 157 51 LEU CB C 41.8 0.1 1 141 157 51 LEU N N 118.5 0.02 1 142 158 52 ASN H H 7.7 0.02 1 143 158 52 ASN C C 173.4 0.1 1 144 158 52 ASN CA C 54.5 0.1 1 145 158 52 ASN CB C 38.4 0.1 1 146 158 52 ASN N N 114 0.02 1 147 159 53 GLU H H 7.6 0.02 1 148 159 53 GLU C C 175.5 0.1 1 149 159 53 GLU CA C 57.7 0.1 1 150 159 53 GLU CB C 29.6 0.1 1 151 159 53 GLU N N 118.7 0.02 1 152 160 54 ILE H H 7.5 0.02 1 153 160 54 ILE C C 172.6 0.1 1 154 160 54 ILE CA C 62 0.1 1 155 160 54 ILE CB C 37.5 0.1 1 156 160 54 ILE N N 113.9 0.02 1 157 161 55 SER H H 7.7 0.02 1 158 161 55 SER C C 171.3 0.1 1 159 161 55 SER CA C 57 0.1 1 160 161 55 SER CB C 64.9 0.1 1 161 161 55 SER N N 114.8 0.02 1 162 162 56 ARG H H 8.6 0.02 1 163 162 56 ARG C C 171.3 0.1 1 164 162 56 ARG CA C 55.6 0.1 1 165 162 56 ARG CB C 30.7 0.1 1 166 162 56 ARG N N 114.6 0.02 1 167 163 57 SER H H 8.5 0.02 1 168 163 57 SER C C 172.1 0.1 1 169 163 57 SER CA C 55.6 0.1 1 170 163 57 SER CB C 62.7 0.1 1 171 163 57 SER N N 117.1 0.02 1 172 164 58 GLY H H 8.5 0.02 1 173 164 58 GLY C C 170.8 0.1 1 174 164 58 GLY CA C 44.4 0.1 1 175 164 58 GLY N N 113.9 0.02 1 176 165 59 ARG H H 8.5 0.02 1 177 165 59 ARG C C 169.5 0.1 1 178 165 59 ARG CA C 55 0.1 1 179 165 59 ARG CB C 34.1 0.1 1 180 165 59 ARG N N 122.5 0.02 1 181 166 60 ILE H H 8.8 0.02 1 182 166 60 ILE C C 170.4 0.1 1 183 166 60 ILE CA C 57.1 0.1 1 184 166 60 ILE CB C 42.5 0.1 1 185 166 60 ILE N N 121.3 0.02 1 186 167 61 GLY H H 8.2 0.02 1 187 167 61 GLY C C 168.4 0.1 1 188 167 61 GLY CA C 43.1 0.1 1 189 167 61 GLY N N 113.9 0.02 1 190 168 62 PHE H H 8.8 0.02 1 191 168 62 PHE C C 169.5 0.1 1 192 168 62 PHE CA C 55.2 0.1 1 193 168 62 PHE CB C 44.6 0.1 1 194 168 62 PHE N N 120.8 0.02 1 195 169 63 GLY H H 8.3 0.02 1 196 169 63 GLY CA C 45 0.1 1 197 169 63 GLY N N 117.3 0.02 1 198 170 64 SER H H 8.6 0.02 1 199 170 64 SER C C 169.8 0.1 1 200 170 64 SER CA C 55.8 0.1 1 201 170 64 SER CB C 67 0.1 1 202 170 64 SER N N 113.6 0.02 1 203 171 65 ILE H H 8.4 0.02 1 204 171 65 ILE C C 171.3 0.1 1 205 171 65 ILE CA C 59.9 0.1 1 206 171 65 ILE CB C 38.4 0.1 1 207 171 65 ILE N N 124.7 0.02 1 208 172 66 VAL H H 8.6 0.02 1 209 172 66 VAL C C 172.7 0.1 1 210 172 66 VAL CA C 60.3 0.1 1 211 172 66 VAL CB C 33.2 0.1 1 212 172 66 VAL N N 128.1 0.02 1 213 174 68 MET C C 172.4 0.1 1 214 175 69 THR H H 8.5 0.02 1 215 175 69 THR C C 170.2 0.1 1 216 175 69 THR CA C 62 0.1 1 217 175 69 THR N N 118 0.02 1 218 176 70 PHE H H 9.5 0.02 1 219 176 70 PHE C C 169.2 0.1 1 220 176 70 PHE CA C 54.8 0.1 1 221 176 70 PHE CB C 39.8 0.1 1 222 176 70 PHE N N 129.7 0.02 1 223 177 71 GLN H H 9 0.02 1 224 177 71 GLN CA C 53.1 0.1 1 225 177 71 GLN CB C 30.8 0.1 1 226 177 71 GLN N N 129.1 0.02 1 227 178 72 HIS H H 8.5 0.02 1 228 178 72 HIS C C 172.1 0.1 1 229 178 72 HIS CA C 54.7 0.1 1 230 178 72 HIS CB C 29.5 0.1 1 231 178 72 HIS N N 127.1 0.02 1 232 179 73 ILE H H 7.8 0.02 1 233 179 73 ILE C C 172 0.1 1 234 179 73 ILE CA C 62.9 0.1 1 235 179 73 ILE CB C 38.9 0.1 1 236 179 73 ILE N N 131 0.02 1 237 180 74 LEU H H 8.8 0.02 1 238 180 74 LEU C C 172.6 0.1 1 239 180 74 LEU CA C 52.6 0.1 1 240 180 74 LEU CB C 46.1 0.1 1 241 180 74 LEU N N 122.1 0.02 1 242 181 75 LYS H H 8.3 0.02 1 243 181 75 LYS C C 181.2 0.1 1 244 181 75 LYS CA C 56.8 0.1 1 245 181 75 LYS CB C 32.4 0.1 1 246 181 75 LYS N N 127.6 0.02 1 247 182 76 LEU H H 7.5 0.02 1 248 182 76 LEU C C 174.3 0.1 1 249 182 76 LEU CA C 56.4 0.1 1 250 182 76 LEU CB C 41.4 0.1 1 251 182 76 LEU N N 121.6 0.02 1 252 183 77 THR H H 8.9 0.02 1 253 183 77 THR C C 168.9 0.1 1 254 183 77 THR CA C 58.5 0.1 1 255 183 77 THR CB C 69 0.1 1 256 183 77 THR N N 119.6 0.02 1 257 184 78 ALA H H 8.7 0.02 1 258 184 78 ALA C C 174.7 0.1 1 259 184 78 ALA CA C 52 0.1 1 260 184 78 ALA CB C 18.6 0.1 1 261 184 78 ALA N N 129 0.02 1 262 185 79 ASP H H 8.7 0.02 1 263 185 79 ASP C C 173.8 0.1 1 264 185 79 ASP CA C 52.6 0.1 1 265 185 79 ASP CB C 38.9 0.1 1 266 185 79 ASP N N 120.9 0.02 1 267 186 80 SER H H 8.2 0.02 1 268 186 80 SER C C 173.5 0.1 1 269 186 80 SER CA C 60.5 0.1 1 270 186 80 SER CB C 62.8 0.1 1 271 186 80 SER N N 121.9 0.02 1 272 187 81 SER H H 6.4 0.02 1 273 187 81 SER C C 174.1 0.1 1 274 187 81 SER CA C 61.3 0.1 1 275 187 81 SER CB C 62.2 0.1 1 276 187 81 SER N N 120.7 0.02 1 277 188 82 GLN H H 7.7 0.02 1 278 188 82 GLN C C 175 0.1 1 279 188 82 GLN CA C 58.1 0.1 1 280 188 82 GLN CB C 27.6 0.1 1 281 188 82 GLN N N 123.8 0.02 1 282 189 83 PHE H H 7.3 0.02 1 283 189 83 PHE C C 172.4 0.1 1 284 189 83 PHE CA C 60.9 0.1 1 285 189 83 PHE CB C 38.1 0.1 1 286 189 83 PHE N N 119.3 0.02 1 287 190 84 GLN H H 7.9 0.02 1 288 190 84 GLN C C 175.6 0.1 1 289 190 84 GLN CA C 59.1 0.1 1 290 190 84 GLN CB C 28 0.1 1 291 190 84 GLN N N 117 0.02 1 292 191 85 ARG H H 7.7 0.02 1 293 191 85 ARG C C 176.4 0.1 1 294 191 85 ARG CA C 59.1 0.1 1 295 191 85 ARG CB C 29.8 0.1 1 296 191 85 ARG N N 118.5 0.02 1 297 192 86 GLU H H 8 0.02 1 298 192 86 GLU C C 176.3 0.1 1 299 192 86 GLU CA C 57.5 0.1 1 300 192 86 GLU CB C 27.7 0.1 1 301 192 86 GLU N N 119.2 0.02 1 302 193 87 LEU H H 8 0.02 1 303 193 87 LEU C C 174.9 0.1 1 304 193 87 LEU CA C 57.4 0.1 1 305 193 87 LEU CB C 39.7 0.1 1 306 193 87 LEU N N 122.9 0.02 1 307 194 88 ARG H H 7.4 0.02 1 308 194 88 ARG C C 174.9 0.1 1 309 194 88 ARG CA C 59.1 0.1 1 310 194 88 ARG CB C 28.7 0.1 1 311 194 88 ARG N N 117.4 0.02 1 312 195 89 LYS H H 7.5 0.02 1 313 195 89 LYS C C 176.5 0.1 1 314 195 89 LYS CA C 58.9 0.1 1 315 195 89 LYS CB C 32 0.1 1 316 195 89 LYS N N 117.4 0.02 1 317 196 90 GLN H H 7.8 0.02 1 318 196 90 GLN C C 176.5 0.1 1 319 196 90 GLN CA C 57.4 0.1 1 320 196 90 GLN CB C 27.4 0.1 1 321 196 90 GLN N N 117.6 0.02 1 322 197 91 LEU C C 176 0.1 1 323 197 91 LEU CA C 57.2 0.1 1 324 197 91 LEU CB C 40.8 0.1 1 325 198 92 VAL H H 7.8 0.02 1 326 198 92 VAL C C 174.6 0.1 1 327 198 92 VAL CA C 61.8 0.1 1 328 198 92 VAL CB C 30.9 0.1 1 329 198 92 VAL N N 113.5 0.02 1 330 199 93 SER H H 7.6 0.02 1 331 199 93 SER C C 172.7 0.1 1 332 199 93 SER CA C 60.1 0.1 1 333 199 93 SER CB C 68.4 0.1 1 334 199 93 SER N N 117 0.02 1 335 200 94 GLY H H 8.2 0.02 1 336 200 94 GLY C C 171.1 0.1 1 337 200 94 GLY CA C 45.4 0.1 1 338 200 94 GLY N N 110.9 0.02 1 339 201 95 LYS H H 7.9 0.02 1 340 201 95 LYS C C 172.7 0.1 1 341 201 95 LYS CA C 55.4 0.1 1 342 201 95 LYS CB C 32.3 0.1 1 343 201 95 LYS N N 120.7 0.02 1 344 204 98 THR H H 8.2 0.02 1 345 204 98 THR N N 124 0.02 1 346 217 111 ILE C C 176 0.1 1 347 217 111 ILE CA C 61.7 0.1 1 348 217 111 ILE CB C 38.9 0.1 1 349 218 112 CYS H H 8 0.02 1 350 218 112 CYS C C 174 0.1 1 351 218 112 CYS CA C 55.2 0.1 1 352 218 112 CYS CB C 42.8 0.1 1 353 218 112 CYS N N 124.1 0.02 1 354 219 113 LEU H H 7.8 0.02 1 355 219 113 LEU C C 177.9 0.1 1 356 219 113 LEU CA C 59.3 0.1 1 357 219 113 LEU CB C 41.1 0.1 1 358 219 113 LEU N N 120.3 0.02 1 359 220 114 GLY H H 9 0.02 1 360 220 114 GLY C C 172.6 0.1 1 361 220 114 GLY CA C 46.1 0.1 1 362 220 114 GLY N N 108.7 0.02 1 363 221 115 GLU H H 8.9 0.02 1 364 221 115 GLU C C 176 0.1 1 365 221 115 GLU CA C 59.4 0.1 1 366 221 115 GLU CB C 28.3 0.1 1 367 221 115 GLU N N 122.1 0.02 1 368 222 116 ILE H H 7.7 0.02 1 369 222 116 ILE C C 173.3 0.1 1 370 222 116 ILE CA C 61 0.1 1 371 222 116 ILE CB C 35.6 0.1 1 372 222 116 ILE N N 118.5 0.02 1 373 223 117 GLY H H 7.4 0.02 1 374 223 117 GLY C C 171.9 0.1 1 375 223 117 GLY CA C 44.5 0.1 1 376 223 117 GLY N N 102.3 0.02 1 377 224 118 TRP H H 6.6 0.02 1 378 224 118 TRP C C 174.3 0.1 1 379 224 118 TRP CA C 59.6 0.1 1 380 224 118 TRP CB C 30.3 0.1 1 381 224 118 TRP N N 119 0.02 1 382 225 119 ARG H H 10.3 0.02 1 383 225 119 ARG C C 173.6 0.1 1 384 225 119 ARG CA C 55 0.1 1 385 225 119 ARG CB C 30.2 0.1 1 386 225 119 ARG N N 125.6 0.02 1 387 226 120 ASN C C 171.5 0.1 1 388 226 120 ASN CA C 52.8 0.1 1 389 226 120 ASN CB C 37.6 0.1 1 390 227 121 GLY H H 7.6 0.02 1 391 227 121 GLY C C 170.9 0.1 1 392 227 121 GLY CA C 44.9 0.1 1 393 227 121 GLY N N 110.9 0.02 1 394 228 122 THR H H 8.1 0.02 1 395 228 122 THR C C 171.4 0.1 1 396 228 122 THR CA C 63.6 0.1 1 397 228 122 THR CB C 68.6 0.1 1 398 228 122 THR N N 122 0.02 1 399 229 123 ARG H H 9 0.02 1 400 229 123 ARG C C 170.6 0.1 1 401 229 123 ARG CA C 55 0.1 1 402 229 123 ARG CB C 32 0.1 1 403 229 123 ARG N N 130 0.02 1 404 230 124 PHE H H 9.4 0.02 1 405 230 124 PHE C C 171.4 0.1 1 406 230 124 PHE CA C 56.4 0.1 1 407 230 124 PHE CB C 42.4 0.1 1 408 230 124 PHE N N 121.5 0.02 1 409 231 125 LEU H H 8.5 0.02 1 410 231 125 LEU C C 170.9 0.1 1 411 231 125 LEU CA C 54.9 0.1 1 412 231 125 LEU CB C 45.5 0.1 1 413 231 125 LEU N N 125.7 0.02 1 414 232 126 VAL H H 9.2 0.02 1 415 232 126 VAL C C 169.9 0.1 1 416 232 126 VAL CA C 60.1 0.1 1 417 232 126 VAL CB C 32.6 0.1 1 418 232 126 VAL N N 127.9 0.02 1 419 233 127 LEU H H 8.7 0.02 1 420 233 127 LEU C C 171.4 0.1 1 421 233 127 LEU CA C 52.1 0.1 1 422 233 127 LEU CB C 44 0.1 1 423 233 127 LEU N N 129.9 0.02 1 424 234 128 VAL H H 8.5 0.02 1 425 234 128 VAL CA C 59.1 0.1 1 426 234 128 VAL CB C 31.9 0.1 1 427 234 128 VAL N N 127.7 0.02 1 428 235 129 THR H H 8.4 0.02 1 429 235 129 THR CA C 54.8 0.1 1 430 235 129 THR CB C 69.1 0.1 1 431 235 129 THR N N 120.9 0.02 1 432 242 136 ALA CA C 51.5 0.1 1 433 242 136 ALA CB C 19.2 0.1 1 434 243 137 LYS H H 8.2 0.02 1 435 243 137 LYS C C 173.3 0.1 1 436 243 137 LYS CA C 56.4 0.1 1 437 243 137 LYS CB C 32.1 0.1 1 438 243 137 LYS N N 121.6 0.02 1 439 244 138 ASP H H 8.1 0.02 1 440 244 138 ASP C C 173.3 0.1 1 441 244 138 ASP CA C 53.8 0.1 1 442 244 138 ASP CB C 40.7 0.1 1 443 244 138 ASP N N 121.1 0.02 1 444 245 139 LYS H H 8.3 0.02 1 445 245 139 LYS C C 173.9 0.1 1 446 245 139 LYS CA C 56.2 0.1 1 447 245 139 LYS CB C 32 0.1 1 448 245 139 LYS N N 121.8 0.02 1 449 246 140 THR H H 8.1 0.02 1 450 246 140 THR C C 171.7 0.1 1 451 246 140 THR CA C 61.8 0.1 1 452 246 140 THR CB C 69.3 0.1 1 453 246 140 THR N N 114.9 0.02 1 454 247 141 LEU H H 8.1 0.02 1 455 247 141 LEU C C 174.9 0.1 1 456 247 141 LEU CA C 55 0.1 1 457 247 141 LEU CB C 41.4 0.1 1 458 247 141 LEU N N 124.3 0.02 1 459 248 142 GLY H H 8.3 0.02 1 460 248 142 GLY C C 171.4 0.1 1 461 248 142 GLY CA C 44.9 0.1 1 462 248 142 GLY N N 109.7 0.02 1 463 249 143 THR H H 8 0.02 1 464 249 143 THR C C 171.9 0.1 1 465 249 143 THR CA C 61.5 0.1 1 466 249 143 THR CB C 69.4 0.1 1 467 249 143 THR N N 114 0.02 1 468 250 144 ARG H H 8.2 0.02 1 469 250 144 ARG C C 173.1 0.1 1 470 250 144 ARG CA C 53.8 0.1 1 471 250 144 ARG CB C 30.1 0.1 1 472 250 144 ARG N N 123.9 0.02 1 473 251 145 GLN H H 8.4 0.02 1 474 251 145 GLN C C 172.6 0.1 1 475 251 145 GLN CA C 55.3 0.1 1 476 251 145 GLN CB C 29.1 0.1 1 477 251 145 GLN N N 122.2 0.02 1 478 252 146 ASN H H 8.5 0.02 1 479 252 146 ASN C C 172.5 0.1 1 480 252 146 ASN CA C 52.9 0.1 1 481 252 146 ASN CB C 38.5 0.1 1 482 252 146 ASN N N 120.9 0.02 1 483 253 147 THR H H 8.2 0.02 1 484 253 147 THR C C 171.8 0.1 1 485 253 147 THR CA C 61.4 0.1 1 486 253 147 THR CB C 69.1 0.1 1 487 253 147 THR N N 114.9 0.02 1 488 254 148 SER H H 8.3 0.02 1 489 254 148 SER C C 171.7 0.1 1 490 254 148 SER CA C 57.7 0.1 1 491 254 148 SER CB C 63.5 0.1 1 492 254 148 SER N N 118.6 0.02 1 493 255 149 ASP H H 8.4 0.02 1 494 255 149 ASP C C 174.2 0.1 1 495 255 149 ASP CA C 53.6 0.1 1 496 255 149 ASP CB C 40.3 0.1 1 497 255 149 ASP N N 123.4 0.02 1 498 256 150 GLY H H 8.4 0.02 1 499 256 150 GLY C C 170.4 0.1 1 500 256 150 GLY CA C 45.4 0.1 1 501 256 150 GLY N N 109.6 0.02 1 502 257 151 ARG H H 7.7 0.02 1 503 257 151 ARG C C 172.1 0.1 1 504 257 151 ARG CA C 54.2 0.1 1 505 257 151 ARG CB C 31.2 0.1 1 506 257 151 ARG N N 118.9 0.02 1 507 258 152 CYS H H 8.5 0.02 1 508 258 152 CYS C C 172.1 0.1 1 509 258 152 CYS CA C 56.6 0.1 1 510 258 152 CYS CB C 41.6 0.1 1 511 258 152 CYS N N 120 0.02 1 512 259 153 HIS H H 10 0.02 1 513 259 153 HIS C C 171.1 0.1 1 514 259 153 HIS CA C 55 0.1 1 515 259 153 HIS CB C 30.1 0.1 1 516 259 153 HIS N N 129.9 0.02 1 517 260 154 LEU H H 7.5 0.02 1 518 260 154 LEU C C 173.5 0.1 1 519 260 154 LEU CA C 55.4 0.1 1 520 260 154 LEU CB C 42.5 0.1 1 521 260 154 LEU N N 122.6 0.02 1 522 261 155 ASP H H 8.9 0.02 1 523 261 155 ASP C C 173 0.1 1 524 261 155 ASP CA C 53.3 0.1 1 525 261 155 ASP CB C 41.9 0.1 1 526 261 155 ASP N N 126.6 0.02 1 527 262 156 ASP H H 9.2 0.02 1 528 262 156 ASP C C 173.3 0.1 1 529 262 156 ASP CA C 54.7 0.1 1 530 262 156 ASP CB C 39.4 0.1 1 531 262 156 ASP N N 127.9 0.02 1 532 263 157 GLY H H 8.6 0.02 1 533 263 157 GLY C C 169 0.1 1 534 263 157 GLY CA C 45.5 0.1 1 535 263 157 GLY N N 102.9 0.02 1 536 264 158 MET H H 7.6 0.02 1 537 264 158 MET C C 173 0.1 1 538 264 158 MET CA C 53.6 0.1 1 539 264 158 MET CB C 35.9 0.1 1 540 264 158 MET N N 118 0.02 1 541 265 159 TYR H H 9 0.02 1 542 265 159 TYR C C 169.7 0.1 1 543 265 159 TYR CA C 57.1 0.1 1 544 265 159 TYR CB C 41.9 0.1 1 545 265 159 TYR N N 123 0.02 1 546 266 160 ARG H H 8.1 0.02 1 547 266 160 ARG C C 171.1 0.1 1 548 266 160 ARG CA C 54.2 0.1 1 549 266 160 ARG CB C 29.9 0.1 1 550 266 160 ARG N N 130.6 0.02 1 551 267 161 SER H H 8.3 0.02 1 552 267 161 SER C C 172.4 0.1 1 553 267 161 SER CA C 58.2 0.1 1 554 267 161 SER CB C 63.6 0.1 1 555 267 161 SER N N 119.5 0.02 1 556 283 177 LEU C C 175 0.1 1 557 283 177 LEU CA C 56.6 0.1 1 558 283 177 LEU CB C 41.3 0.1 1 559 284 178 ALA H H 7.4 0.02 1 560 284 178 ALA C C 178.7 0.1 1 561 284 178 ALA CA C 54.3 0.1 1 562 284 178 ALA CB C 17.5 0.1 1 563 284 178 ALA N N 120.5 0.02 1 564 285 179 GLU H H 8.4 0.02 1 565 285 179 GLU C C 174.2 0.1 1 566 285 179 GLU CA C 58.5 0.1 1 567 285 179 GLU CB C 29.8 0.1 1 568 285 179 GLU N N 119.7 0.02 1 569 286 180 ASN H H 7.1 0.02 1 570 286 180 ASN C C 169.6 0.1 1 571 286 180 ASN CA C 52 0.1 1 572 286 180 ASN CB C 38.4 0.1 1 573 286 180 ASN N N 113.3 0.02 1 574 287 181 ASN H H 7.6 0.02 1 575 287 181 ASN C C 169.9 0.1 1 576 287 181 ASN CA C 53.6 0.1 1 577 287 181 ASN CB C 37 0.1 1 578 287 181 ASN N N 117.1 0.02 1 579 288 182 ILE H H 8.1 0.02 1 580 288 182 ILE C C 171.9 0.1 1 581 288 182 ILE CA C 59.2 0.1 1 582 288 182 ILE CB C 38.6 0.1 1 583 288 182 ILE N N 116.9 0.02 1 584 289 183 GLN H H 8.7 0.02 1 585 289 183 GLN C C 171.2 0.1 1 586 289 183 GLN CA C 51.6 0.1 1 587 289 183 GLN CB C 28.2 0.1 1 588 289 183 GLN N N 128.5 0.02 1 589 290 184 PRO C C 173.2 0.1 1 590 290 184 PRO CA C 60.9 0.1 1 591 290 184 PRO CB C 31 0.1 1 592 291 185 ILE H H 8.7 0.02 1 593 291 185 ILE C C 172.1 0.1 1 594 291 185 ILE CA C 60 0.1 1 595 291 185 ILE CB C 40.3 0.1 1 596 291 185 ILE N N 125.9 0.02 1 597 292 186 PHE H H 9.4 0.02 1 598 292 186 PHE C C 170.6 0.1 1 599 292 186 PHE CA C 52.1 0.1 1 600 292 186 PHE CB C 37.8 0.1 1 601 292 186 PHE N N 127.4 0.02 1 602 293 187 VAL H H 8.1 0.02 1 603 293 187 VAL C C 171.1 0.1 1 604 293 187 VAL CA C 61 0.1 1 605 293 187 VAL CB C 31.9 0.1 1 606 293 187 VAL N N 126.5 0.02 1 607 294 188 VAL C C 175.8 0.1 1 608 294 188 VAL CA C 56.5 0.1 1 609 294 188 VAL CB C 31.9 0.1 1 610 294 188 VAL N N 117.2 0.02 1 611 296 190 SER C C 174.1 0.1 1 612 297 191 ARG H H 8.6 0.02 1 613 297 191 ARG C C 173.6 0.1 1 614 297 191 ARG CA C 57.7 0.1 1 615 297 191 ARG CB C 28.5 0.1 1 616 298 192 MET H H 8.5 0.02 1 617 298 192 MET C C 173.5 0.1 1 618 298 192 MET CA C 55.1 0.1 1 619 298 192 MET CB C 33.3 0.1 1 620 298 192 MET N N 117.4 0.02 1 621 299 193 VAL H H 7.4 0.02 1 622 299 193 VAL C C 174.6 0.1 1 623 299 193 VAL CA C 67.4 0.1 1 624 299 193 VAL CB C 31.2 0.1 1 625 299 193 VAL N N 124.1 0.02 1 626 300 194 LYS H H 8.5 0.02 1 627 300 194 LYS C C 176.5 0.1 1 628 300 194 LYS CA C 58.5 0.1 1 629 300 194 LYS CB C 30.5 0.1 1 630 300 194 LYS N N 117.1 0.02 1 631 301 195 THR H H 7.6 0.02 1 632 301 195 THR C C 171 0.1 1 633 301 195 THR CA C 65.7 0.1 1 634 301 195 THR CB C 68.4 0.1 1 635 301 195 THR N N 116.5 0.02 1 636 302 196 TYR H H 8.1 0.02 1 637 302 196 TYR C C 175.3 0.1 1 638 302 196 TYR CA C 63 0.1 1 639 302 196 TYR CB C 38.2 0.1 1 640 302 196 TYR N N 120.5 0.02 1 641 303 197 GLU H H 8.6 0.02 1 642 303 197 GLU C C 176.3 0.1 1 643 303 197 GLU CA C 58.9 0.1 1 644 303 197 GLU CB C 29 0.1 1 645 303 197 GLU N N 120.5 0.02 1 646 304 198 LYS H H 7.4 0.02 1 647 304 198 LYS C C 176.1 0.1 1 648 304 198 LYS CA C 58 0.1 1 649 304 198 LYS CB C 31.3 0.1 1 650 304 198 LYS N N 118.1 0.02 1 651 305 199 LEU H H 8 0.02 1 652 305 199 LEU C C 176.4 0.1 1 653 305 199 LEU CA C 56.3 0.1 1 654 305 199 LEU CB C 41 0.1 1 655 305 199 LEU N N 116.3 0.02 1 656 306 200 THR H H 7.9 0.02 1 657 306 200 THR C C 172.6 0.1 1 658 306 200 THR CA C 64.2 0.1 1 659 306 200 THR CB C 68.5 0.1 1 660 306 200 THR N N 113.4 0.02 1 661 307 201 THR H H 7.1 0.02 1 662 307 201 THR C C 171.4 0.1 1 663 307 201 THR CA C 64.4 0.1 1 664 307 201 THR CB C 68.3 0.1 1 665 307 201 THR N N 114.4 0.02 1 666 308 202 PHE H H 7 0.02 1 667 308 202 PHE C C 172 0.1 1 668 308 202 PHE CA C 58.3 0.1 1 669 308 202 PHE CB C 40.9 0.1 1 670 308 202 PHE N N 117.8 0.02 1 671 309 203 ILE H H 7.6 0.02 1 672 309 203 ILE C C 173.7 0.1 1 673 309 203 ILE CA C 57.5 0.1 1 674 309 203 ILE CB C 37.3 0.1 1 675 309 203 ILE N N 118 0.02 1 676 310 204 PRO C C 175.2 0.1 1 677 311 205 LYS H H 8.1 0.02 1 678 311 205 LYS C C 172.9 0.1 1 679 311 205 LYS CB C 30.7 0.1 1 680 311 205 LYS N N 114.1 0.02 1 681 312 206 LEU H H 7.6 0.02 1 682 312 206 LEU C C 172.4 0.1 1 683 312 206 LEU CA C 55.7 0.1 1 684 312 206 LEU CB C 41.9 0.1 1 685 312 206 LEU N N 121.4 0.02 1 686 313 207 THR H H 7.4 0.02 1 687 313 207 THR C C 169.1 0.1 1 688 313 207 THR CA C 61 0.1 1 689 313 207 THR CB C 70.5 0.1 1 690 313 207 THR N N 121.3 0.02 1 691 314 208 ILE H H 8.6 0.02 1 692 314 208 ILE C C 173.2 0.1 1 693 314 208 ILE CA C 57.7 0.1 1 694 314 208 ILE CB C 37.3 0.1 1 695 314 208 ILE N N 125.5 0.02 1 696 315 209 GLY H H 9.3 0.02 1 697 315 209 GLY C C 167.7 0.1 1 698 315 209 GLY CA C 42.9 0.1 1 699 315 209 GLY N N 114.5 0.02 1 700 316 210 GLU H H 8.4 0.02 1 701 316 210 GLU C C 173.3 0.1 1 702 316 210 GLU CA C 53.9 0.1 1 703 316 210 GLU CB C 31.7 0.1 1 704 316 210 GLU N N 119.4 0.02 1 705 317 211 LEU H H 8.2 0.02 1 706 317 211 LEU C C 171.9 0.1 1 707 317 211 LEU CA C 53.7 0.1 1 708 317 211 LEU CB C 41.1 0.1 1 709 317 211 LEU N N 128.3 0.02 1 710 318 212 SER H H 8.5 0.02 1 711 318 212 SER C C 170 0.1 1 712 318 212 SER CA C 56.7 0.1 1 713 318 212 SER CB C 64.5 0.1 1 714 318 212 SER N N 123 0.02 1 715 319 213 ASP H H 8.3 0.02 1 716 319 213 ASP C C 172.9 0.1 1 717 319 213 ASP CA C 55 0.1 1 718 319 213 ASP CB C 40 0.1 1 719 319 213 ASP N N 119.4 0.02 1 720 320 214 ASP H H 8.1 0.02 1 721 320 214 ASP C C 171.1 0.1 1 722 320 214 ASP CA C 52.9 0.1 1 723 320 214 ASP CB C 41.1 0.1 1 724 320 214 ASP N N 119.2 0.02 1 725 321 215 SER H H 8.2 0.02 1 726 321 215 SER C C 171.1 0.1 1 727 321 215 SER CA C 58.8 0.1 1 728 321 215 SER CB C 63.1 0.1 1 729 321 215 SER N N 119.5 0.02 1 730 322 216 SER H H 8.5 0.02 1 731 322 216 SER C C 173.1 0.1 1 732 322 216 SER CA C 60.6 0.1 1 733 322 216 SER CB C 63.3 0.1 1 734 322 216 SER N N 118.8 0.02 1 735 323 217 ASN H H 8.4 0.02 1 736 323 217 ASN C C 174.1 0.1 1 737 323 217 ASN CA C 54.8 0.1 1 738 323 217 ASN CB C 37.7 0.1 1 739 323 217 ASN N N 120.8 0.02 1 740 324 218 VAL H H 7.8 0.02 1 741 324 218 VAL C C 174.1 0.1 1 742 324 218 VAL CA C 65.3 0.1 1 743 324 218 VAL CB C 30.7 0.1 1 744 324 218 VAL N N 120.2 0.02 1 745 325 219 ALA H H 6.9 0.02 1 746 325 219 ALA C C 176.5 0.1 1 747 325 219 ALA CA C 55 0.1 1 748 325 219 ALA CB C 17.4 0.1 1 749 325 219 ALA N N 121.7 0.02 1 750 326 220 GLN H H 7.8 0.02 1 751 326 220 GLN C C 174.6 0.1 1 752 326 220 GLN CA C 57.7 0.1 1 753 326 220 GLN CB C 27.5 0.1 1 754 326 220 GLN N N 117.1 0.02 1 755 327 221 LEU H H 7.6 0.02 1 756 327 221 LEU C C 177.1 0.1 1 757 327 221 LEU CA C 57.5 0.1 1 758 327 221 LEU CB C 40.6 0.1 1 759 327 221 LEU N N 119.6 0.02 1 760 328 222 ILE H H 7.3 0.02 1 761 328 222 ILE C C 174.1 0.1 1 762 328 222 ILE CA C 62.9 0.1 1 763 328 222 ILE CB C 35.8 0.1 1 764 328 222 ILE N N 118.8 0.02 1 765 329 223 ARG H H 7.7 0.02 1 766 329 223 ARG C C 176.5 0.1 1 767 329 223 ARG CA C 59.5 0.1 1 768 329 223 ARG CB C 29.4 0.1 1 769 329 223 ARG N N 119 0.02 1 770 330 224 ASN H H 8.6 0.02 1 771 330 224 ASN C C 174.6 0.1 1 772 330 224 ASN CA C 54.8 0.1 1 773 330 224 ASN CB C 37.6 0.1 1 774 330 224 ASN N N 118.2 0.02 1 775 331 225 ALA H H 7.9 0.02 1 776 331 225 ALA C C 176.9 0.1 1 777 331 225 ALA CA C 54.2 0.1 1 778 331 225 ALA CB C 18.2 0.1 1 779 331 225 ALA N N 123.1 0.02 1 780 332 226 TYR H H 8.4 0.02 1 781 332 226 TYR C C 174.2 0.1 1 782 332 226 TYR CA C 60.1 0.1 1 783 332 226 TYR CB C 38.6 0.1 1 784 332 226 TYR N N 118.3 0.02 1 785 333 227 SER H H 7.9 0.02 1 786 333 227 SER C C 171.7 0.1 1 787 333 227 SER CA C 59.7 0.1 1 788 333 227 SER CB C 63.5 0.1 1 789 333 227 SER N N 115.1 0.02 1 790 334 228 LYS H H 7.5 0.02 1 791 334 228 LYS C C 173.6 0.1 1 792 334 228 LYS CA C 56.1 0.1 1 793 334 228 LYS CB C 32 0.1 1 794 334 228 LYS N N 121.2 0.02 1 795 335 229 LEU H H 7.7 0.02 1 796 335 229 LEU C C 173.6 0.1 1 797 335 229 LEU CA C 54.9 0.1 1 798 335 229 LEU CB C 41.4 0.1 1 799 335 229 LEU N N 122.1 0.02 1 800 336 230 SER H H 7.6 0.02 1 801 336 230 SER C C 175.5 0.1 1 802 336 230 SER CA C 59.6 0.1 1 803 336 230 SER CB C 64.8 0.1 1 804 336 230 SER N N 121.6 0.02 1 stop_ save_