data_15706 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Chemical Shift Assignments for DPF inhibited Mature Subtilisin E ; _BMRB_accession_number 15706 _BMRB_flat_file_name bmr15706.str _Entry_type original _Submission_date 2008-04-01 _Accession_date 2008-04-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Yu-Jen . . 2 Wu Kuen-Phon . . 3 Kim Seho . . 4 Falzon Liliana . . 5 Inouye Masayori . . 6 Baum Jean . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 252 "13C chemical shifts" 776 "15N chemical shifts" 252 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-12-02 update BMRB 'complete entry citation' 2008-08-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone NMR assignments of DFP-inhibited mature subtilisin E' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636887 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Yu-Jen . . 2 Wu Kuen-Phon . . 3 Kim Seho . . 4 Falzon Liliana . . 5 Inouye Masayori . . 6 Baum Jean . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 131 _Page_last 133 _Year 2008 _Details . loop_ _Keyword 'Intramolecular chaperone' Propeptide 'Serine protease' Subtilisin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DFP inhibited mature subtilisin E' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Subtilisin E' $Subtilisin_E DFP $DFP Calcium $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Subtilisin_E _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Subtilisin_E _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 275 _Mol_residue_sequence ; AQSFPYGISQIKAPALHSQG YTGSNVKVAVIDSGIDSSHP DLNVRGGASFVPSETNPYQD GSSHGTHVAGTIAALNNSIG VLGVAPSASLYAVKVLDSTG SGQYSWIINGIEWAISNNMD VINMSLGGPTGSTALKTVVD KAVSSGIVVAAAAGNEGSSG STSTVGYPAKYPSTIAVGAV NSSNQRASFSSAGSELDVMA PGVSIQSTLPGGTYGAYNGT SMATPHVAGAAALILSKHPT WTNAQVRDRLESTATYLGNS FYYGKGLINVQAAAQ ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLN 3 SER 4 PHE 5 PRO 6 TYR 7 GLY 8 ILE 9 SER 10 GLN 11 ILE 12 LYS 13 ALA 14 PRO 15 ALA 16 LEU 17 HIS 18 SER 19 GLN 20 GLY 21 TYR 22 THR 23 GLY 24 SER 25 ASN 26 VAL 27 LYS 28 VAL 29 ALA 30 VAL 31 ILE 32 ASP 33 SER 34 GLY 35 ILE 36 ASP 37 SER 38 SER 39 HIS 40 PRO 41 ASP 42 LEU 43 ASN 44 VAL 45 ARG 46 GLY 47 GLY 48 ALA 49 SER 50 PHE 51 VAL 52 PRO 53 SER 54 GLU 55 THR 56 ASN 57 PRO 58 TYR 59 GLN 60 ASP 61 GLY 62 SER 63 SER 64 HIS 65 GLY 66 THR 67 HIS 68 VAL 69 ALA 70 GLY 71 THR 72 ILE 73 ALA 74 ALA 75 LEU 76 ASN 77 ASN 78 SER 79 ILE 80 GLY 81 VAL 82 LEU 83 GLY 84 VAL 85 ALA 86 PRO 87 SER 88 ALA 89 SER 90 LEU 91 TYR 92 ALA 93 VAL 94 LYS 95 VAL 96 LEU 97 ASP 98 SER 99 THR 100 GLY 101 SER 102 GLY 103 GLN 104 TYR 105 SER 106 TRP 107 ILE 108 ILE 109 ASN 110 GLY 111 ILE 112 GLU 113 TRP 114 ALA 115 ILE 116 SER 117 ASN 118 ASN 119 MET 120 ASP 121 VAL 122 ILE 123 ASN 124 MET 125 SER 126 LEU 127 GLY 128 GLY 129 PRO 130 THR 131 GLY 132 SER 133 THR 134 ALA 135 LEU 136 LYS 137 THR 138 VAL 139 VAL 140 ASP 141 LYS 142 ALA 143 VAL 144 SER 145 SER 146 GLY 147 ILE 148 VAL 149 VAL 150 ALA 151 ALA 152 ALA 153 ALA 154 GLY 155 ASN 156 GLU 157 GLY 158 SER 159 SER 160 GLY 161 SER 162 THR 163 SER 164 THR 165 VAL 166 GLY 167 TYR 168 PRO 169 ALA 170 LYS 171 TYR 172 PRO 173 SER 174 THR 175 ILE 176 ALA 177 VAL 178 GLY 179 ALA 180 VAL 181 ASN 182 SER 183 SER 184 ASN 185 GLN 186 ARG 187 ALA 188 SER 189 PHE 190 SER 191 SER 192 ALA 193 GLY 194 SER 195 GLU 196 LEU 197 ASP 198 VAL 199 MET 200 ALA 201 PRO 202 GLY 203 VAL 204 SER 205 ILE 206 GLN 207 SER 208 THR 209 LEU 210 PRO 211 GLY 212 GLY 213 THR 214 TYR 215 GLY 216 ALA 217 TYR 218 ASN 219 GLY 220 THR 221 SER 222 MET 223 ALA 224 THR 225 PRO 226 HIS 227 VAL 228 ALA 229 GLY 230 ALA 231 ALA 232 ALA 233 LEU 234 ILE 235 LEU 236 SER 237 LYS 238 HIS 239 PRO 240 THR 241 TRP 242 THR 243 ASN 244 ALA 245 GLN 246 VAL 247 ARG 248 ASP 249 ARG 250 LEU 251 GLU 252 SER 253 THR 254 ALA 255 THR 256 TYR 257 LEU 258 GLY 259 ASN 260 SER 261 PHE 262 TYR 263 TYR 264 GLY 265 LYS 266 GLY 267 LEU 268 ILE 269 ASN 270 VAL 271 GLN 272 ALA 273 ALA 274 ALA 275 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 1MEE "The Complex Between The Subtilisin From A Mesophilic Bacterium And The Leech Inhibitor Eglin-C" 100.00 275 98.91 99.64 0.00e+00 PDB 1SCJ "Crystal Structure Of Subtilisin-Propeptide Complex" 100.00 275 98.91 99.27 0.00e+00 PDB 3VYV "Crystal Structure Of Subtilisin Nat At 1.36" 100.00 275 98.91 98.91 0.00e+00 PDB 3WHI "Crystal Structure Of Unautoprocessed Form Of Is1-inserted Pro- Subtilisin E" 100.00 365 98.91 99.64 0.00e+00 PDB 4DWW "Crystal Structure Of Nattokinase From Bacillus Subtilis Natto" 100.00 275 98.91 98.91 0.00e+00 DBJ BAA00186 "subtilisin amylosacchariticus precursor [Bacillus subtilis subsp. amylosacchariticus]" 100.00 381 98.55 99.64 0.00e+00 DBJ BAA04989 "subtilisin [Bacillus subtilis]" 100.00 381 99.27 99.27 0.00e+00 DBJ BAI84580 "alkaline serine kinase [Bacillus subtilis subsp. natto BEST195]" 100.00 381 99.27 99.27 0.00e+00 DBJ BAM49945 "serine alkaline protease [Bacillus subtilis BEST7613]" 100.00 381 99.64 99.64 0.00e+00 DBJ BAM57214 "serine alkaline protease [Bacillus subtilis BEST7003]" 100.00 381 99.64 99.64 0.00e+00 EMBL CAA74536 "subtilisin E precursor [Bacillus subtilis subsp. subtilis str. 168]" 100.00 381 99.27 99.64 0.00e+00 EMBL CAB12870 "serine alkaline protease (subtilisin E) [Bacillus subtilis subsp. subtilis str. 168]" 100.00 381 99.64 99.64 0.00e+00 EMBL CAC41625 "nattokinase [Bacillus subtilis]" 100.00 275 98.55 99.27 0.00e+00 EMBL CAE18180 "subtilisin [Bacillus subtilis]" 100.00 381 97.09 98.18 0.00e+00 EMBL CCG39575 "thermostable fibrinolytic enzyme [Bacillus subtilis]" 100.00 381 98.91 99.64 0.00e+00 GB AAA22247 "subtilisin J [Geobacillus stearothermophilus]" 100.00 381 98.55 99.64 0.00e+00 GB AAA22742 "subtilisin (gtg start codon) [Bacillus subtilis]" 100.00 381 99.27 99.64 0.00e+00 GB AAB47045 "subtilisin=thermostable serine protease/thermostable mesentericopeptidase homolog [Bacillus subtilis, RT-5, Pakistani Tharparka" 100.00 275 99.27 99.64 0.00e+00 GB AAC60424 "subtilisin NAT [Bacillus subtilis subsp. natto]" 100.00 381 99.27 99.27 0.00e+00 GB AAK54130 "serkinase-nattokinase [Bacillus subtilis subsp. natto]" 100.00 381 99.27 99.27 0.00e+00 PRF 1203267A mesentericopeptidase,alkaline 100.00 275 98.18 99.64 0.00e+00 PRF 1408206A "subtilisin amylosacchariticus gene" 100.00 381 98.18 99.27 0.00e+00 PRF 1903156A subtilisin:ISOTYPE=NAT 100.00 381 99.27 99.27 0.00e+00 REF NP_388911 "subtilisin E [Bacillus subtilis subsp. subtilis str. 168]" 100.00 381 99.64 99.64 0.00e+00 REF WP_003233171 "MULTISPECIES: subtilisin E [Bacillus]" 100.00 381 99.64 99.64 0.00e+00 REF WP_003239459 "subtilisin [Bacillus subtilis]" 100.00 381 97.82 99.64 0.00e+00 REF WP_009966941 "subtilisin E [Bacillus subtilis]" 100.00 381 99.27 99.64 0.00e+00 REF WP_010333625 "peptidase S8 [Bacillus mojavensis]" 100.00 381 97.82 99.27 0.00e+00 SP P00783 "RecName: Full=Subtilisin amylosacchariticus; Flags: Precursor" 100.00 381 98.55 99.64 0.00e+00 SP P04189 "RecName: Full=Subtilisin E; Flags: Precursor" 100.00 381 99.64 99.64 0.00e+00 SP P07518 "RecName: Full=Subtilisin; AltName: Full=Alkaline mesentericopeptidase" 100.00 275 98.18 99.64 0.00e+00 SP P29142 "RecName: Full=Subtilisin J; Flags: Precursor" 100.00 381 98.55 99.64 0.00e+00 SP P35835 "RecName: Full=Subtilisin NAT; AltName: Full=Nattokinase; Flags: Precursor" 100.00 381 99.27 99.27 0.00e+00 stop_ save_ ############# # Ligands # ############# save_DFP _Saveframe_category ligand _Mol_type non-polymer _Name_common "DFP (DIISOPROPYL PHOSPHONATE)" _BMRB_code . _PDB_code DFP _Molecular_mass 166.155 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:36:01 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C N 0 . ? C1' C1' C N 0 . ? C2 C2 C N 0 . ? C2' C2' C N 0 . ? C3 C3 C N 0 . ? C3' C3' C N 0 . ? H1 H1 H N 0 . ? H1' H1' H N 0 . ? H21 H21 H N 0 . ? H2'1 H2'1 H N 0 . ? H22 H22 H N 0 . ? H2'2 H2'2 H N 0 . ? H23 H23 H N 0 . ? H2'3 H2'3 H N 0 . ? H31 H31 H N 0 . ? H3'1 H3'1 H N 0 . ? H32 H32 H N 0 . ? H3'2 H3'2 H N 0 . ? H33 H33 H N 0 . ? H3'3 H3'3 H N 0 . ? HP1 HP1 H N 0 . ? O1P O1P O N 0 . ? O2P O2P O N 0 . ? O3P O3P O N 0 . ? P P P N 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 C3 ? ? SING C1 O1P ? ? SING C1 H1 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C2 H23 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C3 H33 ? ? SING C1' C2' ? ? SING C1' C3' ? ? SING C1' O2P ? ? SING C1' H1' ? ? SING C2' H2'1 ? ? SING C2' H2'2 ? ? SING C2' H2'3 ? ? SING C3' H3'1 ? ? SING C3' H3'2 ? ? SING C3' H3'3 ? ? SING P O1P ? ? SING P O2P ? ? DOUB P O3P ? ? SING HP1 P ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Subtilisin_E 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $Subtilisin_E 'recombinant technology' . Escherichia coli . pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Subtilisin_E 0.3 mM '[U-13C; U-15N]' $DFP 0.3 mM 'natural abundance' MES 25 mM 'natural abundance' $CA 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2007.030.16.06 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_AutoLink _Saveframe_category software _Name AutoLink _Version 0.81 loop_ _Vendor _Address _Electronic_address 'James E. Masse and Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PINE_server _Saveframe_category software _Name PINE _Version 1.0 loop_ _Vendor _Address _Electronic_address 'National Magnetic Resonance Facility at Madison' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.32 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Subtilisin E' _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 2 2 GLN C C 174.583 0.300 1 2 2 2 GLN CA C 54.959 0.300 1 3 2 2 GLN CB C 32.467 0.300 1 4 3 3 SER H H 8.583 0.020 1 5 3 3 SER C C 172.059 0.300 1 6 3 3 SER CA C 57.199 0.300 1 7 3 3 SER CB C 64.749 0.300 1 8 3 3 SER N N 123.016 0.300 1 9 4 4 PHE H H 8.599 0.020 1 10 4 4 PHE C C 173.379 0.300 1 11 4 4 PHE CA C 53.984 0.300 1 12 4 4 PHE CB C 39.231 0.300 1 13 4 4 PHE N N 122.319 0.300 1 14 5 5 PRO C C 179.096 0.300 1 15 5 5 PRO CA C 63.230 0.300 1 16 5 5 PRO CB C 32.626 0.300 1 17 6 6 TYR H H 8.691 0.020 1 18 6 6 TYR C C 177.823 0.300 1 19 6 6 TYR CA C 61.249 0.300 1 20 6 6 TYR CB C 37.501 0.300 1 21 6 6 TYR N N 124.843 0.300 1 22 7 7 GLY H H 9.407 0.020 1 23 7 7 GLY C C 175.246 0.300 1 24 7 7 GLY CA C 46.688 0.300 1 25 7 7 GLY N N 113.088 0.300 1 26 8 8 ILE H H 7.456 0.020 1 27 8 8 ILE C C 178.145 0.300 1 28 8 8 ILE CA C 63.891 0.300 1 29 8 8 ILE CB C 36.850 0.300 1 30 8 8 ILE N N 116.876 0.300 1 31 9 9 SER H H 7.255 0.020 1 32 9 9 SER C C 178.647 0.300 1 33 9 9 SER CA C 61.161 0.300 1 34 9 9 SER CB C 62.728 0.300 1 35 9 9 SER N N 114.161 0.300 1 36 10 10 GLN H H 8.586 0.020 1 37 10 10 GLN C C 178.636 0.300 1 38 10 10 GLN CA C 59.703 0.300 1 39 10 10 GLN CB C 29.559 0.300 1 40 10 10 GLN N N 126.496 0.300 1 41 11 11 ILE H H 7.179 0.020 1 42 11 11 ILE C C 173.906 0.300 1 43 11 11 ILE CA C 61.665 0.300 1 44 11 11 ILE CB C 38.171 0.300 1 45 11 11 ILE N N 106.881 0.300 1 46 12 12 LYS H H 7.870 0.020 1 47 12 12 LYS C C 174.652 0.300 1 48 12 12 LYS CA C 57.788 0.300 1 49 12 12 LYS CB C 29.001 0.300 1 50 12 12 LYS N N 113.423 0.300 1 51 13 13 ALA H H 7.488 0.020 1 52 13 13 ALA C C 175.924 0.300 1 53 13 13 ALA CA C 55.828 0.300 1 54 13 13 ALA CB C 17.782 0.300 1 55 13 13 ALA N N 118.041 0.300 1 56 14 14 PRO C C 177.084 0.300 1 57 14 14 PRO CA C 65.942 0.300 1 58 14 14 PRO CB C 30.478 0.300 1 59 15 15 ALA H H 7.345 0.020 1 60 15 15 ALA C C 180.247 0.300 1 61 15 15 ALA CA C 54.706 0.300 1 62 15 15 ALA CB C 17.966 0.300 1 63 15 15 ALA N N 118.689 0.300 1 64 16 16 LEU H H 7.342 0.020 1 65 16 16 LEU C C 179.569 0.300 1 66 16 16 LEU CA C 56.227 0.300 1 67 16 16 LEU CB C 39.648 0.300 1 68 16 16 LEU N N 120.063 0.300 1 69 17 17 HIS H H 7.750 0.020 1 70 17 17 HIS C C 181.044 0.300 1 71 17 17 HIS CA C 57.709 0.300 1 72 17 17 HIS CB C 31.250 0.300 1 73 17 17 HIS N N 120.827 0.300 1 74 18 18 SER H H 8.555 0.020 1 75 18 18 SER C C 175.398 0.300 1 76 18 18 SER CA C 61.374 0.300 1 77 18 18 SER CB C 62.958 0.300 1 78 18 18 SER N N 114.639 0.300 1 79 19 19 GLN H H 7.287 0.020 1 80 19 19 GLN C C 175.180 0.300 1 81 19 19 GLN CA C 55.837 0.300 1 82 19 19 GLN CB C 30.107 0.300 1 83 19 19 GLN N N 119.172 0.300 1 84 20 20 GLY H H 7.705 0.020 1 85 20 20 GLY C C 173.533 0.300 1 86 20 20 GLY CA C 44.455 0.300 1 87 20 20 GLY N N 104.788 0.300 1 88 21 21 TYR H H 7.838 0.020 1 89 21 21 TYR C C 174.279 0.300 1 90 21 21 TYR CA C 57.514 0.300 1 91 21 21 TYR CB C 38.094 0.300 1 92 21 21 TYR N N 122.021 0.300 1 93 22 22 THR H H 9.052 0.020 1 94 22 22 THR C C 175.527 0.300 1 95 22 22 THR CA C 60.369 0.300 1 96 22 22 THR CB C 70.033 0.300 1 97 22 22 THR N N 108.574 0.300 1 98 23 23 GLY H H 8.168 0.020 1 99 23 23 GLY C C 171.923 0.300 1 100 23 23 GLY CA C 44.958 0.300 1 101 23 23 GLY N N 110.202 0.300 1 102 24 24 SER H H 7.913 0.020 1 103 24 24 SER C C 174.449 0.300 1 104 24 24 SER CA C 60.338 0.300 1 105 24 24 SER CB C 62.806 0.300 1 106 24 24 SER N N 114.619 0.300 1 107 25 25 ASN H H 9.023 0.020 1 108 25 25 ASN C C 173.968 0.300 1 109 25 25 ASN CA C 54.888 0.300 1 110 25 25 ASN CB C 37.627 0.300 1 111 25 25 ASN N N 116.891 0.300 1 112 26 26 VAL H H 7.777 0.020 1 113 26 26 VAL C C 175.163 0.300 1 114 26 26 VAL CA C 62.931 0.300 1 115 26 26 VAL CB C 32.307 0.300 1 116 26 26 VAL N N 121.484 0.300 1 117 27 27 LYS H H 10.092 0.020 1 118 27 27 LYS C C 176.004 0.300 1 119 27 27 LYS CA C 56.887 0.300 1 120 27 27 LYS CB C 33.742 0.300 1 121 27 27 LYS N N 129.298 0.300 1 122 28 28 VAL H H 9.577 0.020 1 123 28 28 VAL C C 173.962 0.300 1 124 28 28 VAL CA C 60.454 0.300 1 125 28 28 VAL CB C 33.884 0.300 1 126 28 28 VAL N N 126.496 0.300 1 127 29 29 ALA H H 9.026 0.020 1 128 29 29 ALA C C 175.568 0.300 1 129 29 29 ALA CA C 50.362 0.300 1 130 29 29 ALA CB C 19.987 0.300 1 131 29 29 ALA N N 128.124 0.300 1 132 30 30 VAL H H 8.982 0.020 1 133 30 30 VAL C C 175.025 0.300 1 134 30 30 VAL CA C 62.665 0.300 1 135 30 30 VAL CB C 31.100 0.300 1 136 30 30 VAL N N 126.384 0.300 1 137 31 31 ILE H H 8.214 0.020 1 138 31 31 ILE C C 174.517 0.300 1 139 31 31 ILE CA C 62.148 0.300 1 140 31 31 ILE CB C 35.343 0.300 1 141 31 31 ILE N N 130.176 0.300 1 142 32 32 ASP H H 8.889 0.020 1 143 32 32 ASP C C 176.518 0.300 1 144 32 32 ASP CA C 55.295 0.300 1 145 32 32 ASP CB C 46.094 0.300 1 146 32 32 ASP N N 131.687 0.300 1 147 33 33 SER C C 173.309 0.300 1 148 33 33 SER CA C 59.919 0.300 1 149 33 33 SER CB C 64.350 0.300 1 150 34 34 GLY H H 7.483 0.020 1 151 34 34 GLY C C 171.669 0.300 1 152 34 34 GLY CA C 43.892 0.300 1 153 34 34 GLY N N 109.889 0.300 1 154 35 35 ILE H H 7.235 0.020 1 155 35 35 ILE C C 174.821 0.300 1 156 35 35 ILE CA C 60.633 0.300 1 157 35 35 ILE N N 110.778 0.300 1 158 36 36 ASP H H 8.284 0.020 1 159 36 36 ASP C C 176.091 0.300 1 160 36 36 ASP CA C 53.660 0.300 1 161 36 36 ASP CB C 40.210 0.300 1 162 36 36 ASP N N 123.205 0.300 1 163 37 37 SER H H 7.690 0.020 1 164 37 37 SER C C 174.771 0.300 1 165 37 37 SER CA C 59.109 0.300 1 166 37 37 SER CB C 63.009 0.300 1 167 37 37 SER N N 123.185 0.300 1 168 38 38 SER H H 8.511 0.020 1 169 38 38 SER C C 173.975 0.300 1 170 38 38 SER CA C 58.832 0.300 1 171 38 38 SER CB C 64.120 0.300 1 172 38 38 SER N N 119.105 0.300 1 173 39 39 HIS H H 7.483 0.020 1 174 39 39 HIS C C 175.746 0.300 1 175 39 39 HIS CA C 56.846 0.300 1 176 39 39 HIS CB C 32.223 0.300 1 177 39 39 HIS N N 127.988 0.300 1 178 40 40 PRO C C 176.766 0.300 1 179 40 40 PRO CA C 64.138 0.300 1 180 40 40 PRO CB C 31.954 0.300 1 181 41 41 ASP H H 11.163 0.020 1 182 41 41 ASP C C 175.329 0.300 1 183 41 41 ASP CA C 51.890 0.300 1 184 41 41 ASP CB C 43.611 0.300 1 185 41 41 ASP N N 123.821 0.300 1 186 42 42 LEU H H 7.662 0.020 1 187 42 42 LEU C C 175.873 0.300 1 188 42 42 LEU CA C 53.469 0.300 1 189 42 42 LEU CB C 47.885 0.300 1 190 42 42 LEU N N 116.006 0.300 1 191 43 43 ASN H H 9.331 0.020 1 192 43 43 ASN C C 174.096 0.300 1 193 43 43 ASN CA C 51.383 0.300 1 194 43 43 ASN CB C 39.881 0.300 1 195 43 43 ASN N N 119.915 0.300 1 196 44 44 VAL H H 8.807 0.020 1 197 44 44 VAL C C 175.992 0.300 1 198 44 44 VAL CA C 62.690 0.300 1 199 44 44 VAL CB C 32.110 0.300 1 200 44 44 VAL N N 125.115 0.300 1 201 45 45 ARG H H 8.758 0.020 1 202 45 45 ARG C C 175.997 0.300 1 203 45 45 ARG CA C 55.519 0.300 1 204 45 45 ARG CB C 30.109 0.300 1 205 45 45 ARG N N 125.302 0.300 1 206 46 46 GLY H H 7.170 0.020 1 207 46 46 GLY C C 172.042 0.300 1 208 46 46 GLY CA C 45.770 0.300 1 209 46 46 GLY N N 105.109 0.300 1 210 47 47 GLY H H 8.696 0.020 1 211 47 47 GLY C C 170.685 0.300 1 212 47 47 GLY CA C 45.939 0.300 1 213 47 47 GLY N N 106.904 0.300 1 214 48 48 ALA H H 8.116 0.020 1 215 48 48 ALA C C 174.873 0.300 1 216 48 48 ALA CA C 51.692 0.300 1 217 48 48 ALA CB C 21.616 0.300 1 218 48 48 ALA N N 118.322 0.300 1 219 49 49 SER H H 8.428 0.020 1 220 49 49 SER C C 173.724 0.300 1 221 49 49 SER CA C 54.391 0.300 1 222 49 49 SER CB C 64.593 0.300 1 223 49 49 SER N N 112.640 0.300 1 224 50 50 PHE H H 8.915 0.020 1 225 50 50 PHE C C 172.923 0.300 1 226 50 50 PHE CA C 57.729 0.300 1 227 50 50 PHE CB C 40.175 0.300 1 228 50 50 PHE N N 126.003 0.300 1 229 51 51 VAL H H 7.228 0.020 1 230 51 51 VAL C C 175.557 0.300 1 231 51 51 VAL CA C 58.809 0.300 1 232 51 51 VAL CB C 31.525 0.300 1 233 51 51 VAL N N 122.402 0.300 1 234 52 52 PRO C C 177.094 0.300 1 235 52 52 PRO CA C 65.303 0.300 1 236 52 52 PRO CB C 32.032 0.300 1 237 53 53 SER H H 7.323 0.020 1 238 53 53 SER C C 174.161 0.300 1 239 53 53 SER CA C 58.310 0.300 1 240 53 53 SER CB C 63.505 0.300 1 241 53 53 SER N N 106.105 0.300 1 242 54 54 GLU H H 7.273 0.020 1 243 54 54 GLU C C 175.229 0.300 1 244 54 54 GLU CA C 54.848 0.300 1 245 54 54 GLU CB C 30.478 0.300 1 246 54 54 GLU N N 122.963 0.300 1 247 55 55 THR H H 8.120 0.020 1 248 55 55 THR C C 173.396 0.300 1 249 55 55 THR CA C 63.206 0.300 1 250 55 55 THR CB C 69.256 0.300 1 251 55 55 THR N N 111.987 0.300 1 252 56 56 ASN H H 8.002 0.020 1 253 56 56 ASN CA C 49.297 0.300 1 254 56 56 ASN CB C 39.546 0.300 1 255 56 56 ASN N N 121.363 0.300 1 256 57 57 PRO C C 173.228 0.300 1 257 57 57 PRO CA C 63.754 0.300 1 258 57 57 PRO CB C 31.255 0.300 1 259 58 58 TYR H H 7.343 0.020 1 260 58 58 TYR C C 175.127 0.300 1 261 58 58 TYR CA C 54.212 0.300 1 262 58 58 TYR CB C 36.617 0.300 1 263 58 58 TYR N N 116.635 0.300 1 264 59 59 GLN H H 6.979 0.020 1 265 59 59 GLN C C 173.516 0.300 1 266 59 59 GLN CA C 54.177 0.300 1 267 59 59 GLN CB C 29.545 0.300 1 268 59 59 GLN N N 120.226 0.300 1 269 60 60 ASP H H 8.873 0.020 1 270 60 60 ASP C C 176.668 0.300 1 271 60 60 ASP CA C 51.068 0.300 1 272 60 60 ASP CB C 40.658 0.300 1 273 60 60 ASP N N 126.090 0.300 1 274 61 61 GLY H H 8.524 0.020 1 275 61 61 GLY C C 174.551 0.300 1 276 61 61 GLY CA C 46.264 0.300 1 277 61 61 GLY N N 111.649 0.300 1 278 62 62 SER H H 8.037 0.020 1 279 62 62 SER C C 175.822 0.300 1 280 62 62 SER CA C 58.592 0.300 1 281 62 62 SER CB C 64.049 0.300 1 282 62 62 SER N N 114.634 0.300 1 283 63 63 SER H H 8.298 0.020 1 284 63 63 SER C C 172.731 0.300 1 285 63 63 SER CA C 62.247 0.300 1 286 63 63 SER N N 116.954 0.300 1 287 64 64 HIS H H 8.250 0.020 1 288 64 64 HIS C C 175.294 0.300 1 289 64 64 HIS CA C 61.375 0.300 1 290 64 64 HIS CB C 30.944 0.300 1 291 64 64 HIS N N 123.054 0.300 1 292 65 65 GLY H H 9.294 0.020 1 293 65 65 GLY C C 176.144 0.300 1 294 65 65 GLY CA C 47.949 0.300 1 295 65 65 GLY N N 110.319 0.300 1 296 66 66 THR H H 8.505 0.020 1 297 66 66 THR C C 175.212 0.300 1 298 66 66 THR CA C 68.043 0.300 1 299 66 66 THR CB C 68.439 0.300 1 300 66 66 THR N N 117.656 0.300 1 301 67 67 HIS H H 7.623 0.020 1 302 67 67 HIS C C 179.315 0.300 1 303 67 67 HIS CA C 60.883 0.300 1 304 67 67 HIS CB C 31.839 0.300 1 305 67 67 HIS N N 127.642 0.300 1 306 68 68 VAL H H 7.908 0.020 1 307 68 68 VAL C C 178.416 0.300 1 308 68 68 VAL CA C 65.434 0.300 1 309 68 68 VAL CB C 32.498 0.300 1 310 68 68 VAL N N 122.044 0.300 1 311 69 69 ALA H H 8.455 0.020 1 312 69 69 ALA C C 179.589 0.300 1 313 69 69 ALA CA C 55.201 0.300 1 314 69 69 ALA CB C 19.676 0.300 1 315 69 69 ALA N N 118.352 0.300 1 316 70 70 GLY H H 7.653 0.020 1 317 70 70 GLY C C 178.263 0.300 1 318 70 70 GLY CA C 46.772 0.300 1 319 70 70 GLY N N 104.367 0.300 1 320 71 71 THR H H 7.452 0.020 1 321 71 71 THR C C 174.958 0.300 1 322 71 71 THR CA C 66.585 0.300 1 323 71 71 THR CB C 67.679 0.300 1 324 71 71 THR N N 123.361 0.300 1 325 72 72 ILE H H 7.151 0.020 1 326 72 72 ILE C C 177.518 0.300 1 327 72 72 ILE CA C 66.512 0.300 1 328 72 72 ILE CB C 37.415 0.300 1 329 72 72 ILE N N 117.543 0.300 1 330 73 73 ALA H H 8.395 0.020 1 331 73 73 ALA C C 174.845 0.300 1 332 73 73 ALA CA C 52.587 0.300 1 333 73 73 ALA CB C 21.153 0.300 1 334 73 73 ALA N N 115.924 0.300 1 335 74 74 ALA H H 8.019 0.020 1 336 74 74 ALA C C 178.908 0.300 1 337 74 74 ALA CA C 53.859 0.300 1 338 74 74 ALA CB C 18.628 0.300 1 339 74 74 ALA N N 120.653 0.300 1 340 75 75 LEU H H 8.009 0.020 1 341 75 75 LEU C C 178.114 0.300 1 342 75 75 LEU CA C 55.025 0.300 1 343 75 75 LEU CB C 43.300 0.300 1 344 75 75 LEU N N 119.672 0.300 1 345 76 76 ASN H H 8.939 0.020 1 346 76 76 ASN C C 172.664 0.300 1 347 76 76 ASN CA C 52.505 0.300 1 348 76 76 ASN CB C 37.108 0.300 1 349 76 76 ASN N N 121.305 0.300 1 350 77 77 ASN H H 9.176 0.020 1 351 77 77 ASN CA C 52.858 0.300 1 352 77 77 ASN CB C 36.243 0.300 1 353 77 77 ASN N N 130.944 0.300 1 354 78 78 SER C C 173.485 0.300 1 355 78 78 SER CA C 57.664 0.300 1 356 78 78 SER CB C 63.583 0.300 1 357 79 79 ILE H H 7.290 0.020 1 358 79 79 ILE C C 177.908 0.300 1 359 79 79 ILE CA C 59.007 0.300 1 360 79 79 ILE CB C 44.400 0.300 1 361 79 79 ILE N N 110.883 0.300 1 362 80 80 GLY H H 9.065 0.020 1 363 80 80 GLY C C 174.534 0.300 1 364 80 80 GLY CA C 48.425 0.300 1 365 80 80 GLY N N 114.253 0.300 1 366 81 81 VAL H H 8.245 0.020 1 367 81 81 VAL C C 173.228 0.300 1 368 81 81 VAL CA C 58.652 0.300 1 369 81 81 VAL CB C 33.975 0.300 1 370 81 81 VAL N N 117.747 0.300 1 371 82 82 LEU H H 6.377 0.020 1 372 82 82 LEU C C 175.449 0.300 1 373 82 82 LEU CA C 54.671 0.300 1 374 82 82 LEU CB C 45.243 0.300 1 375 82 82 LEU N N 121.641 0.300 1 376 83 83 GLY H H 9.048 0.020 1 377 83 83 GLY C C 171.237 0.300 1 378 83 83 GLY CA C 44.597 0.300 1 379 83 83 GLY N N 115.969 0.300 1 380 84 84 VAL H H 8.182 0.020 1 381 84 84 VAL C C 176.028 0.300 1 382 84 84 VAL CA C 67.074 0.300 1 383 84 84 VAL CB C 34.360 0.300 1 384 84 84 VAL N N 116.521 0.300 1 385 85 85 ALA H H 9.300 0.020 1 386 85 85 ALA CA C 48.825 0.300 1 387 85 85 ALA CB C 19.760 0.300 1 388 85 85 ALA N N 120.827 0.300 1 389 86 86 PRO C C 177.898 0.300 1 390 86 86 PRO CA C 64.917 0.300 1 391 86 86 PRO CB C 32.421 0.300 1 392 87 87 SER H H 8.181 0.020 1 393 87 87 SER C C 173.551 0.300 1 394 87 87 SER CA C 57.003 0.300 1 395 87 87 SER CB C 63.039 0.300 1 396 87 87 SER N N 113.418 0.300 1 397 88 88 ALA H H 8.029 0.020 1 398 88 88 ALA C C 177.568 0.300 1 399 88 88 ALA CA C 52.729 0.300 1 400 88 88 ALA CB C 18.314 0.300 1 401 88 88 ALA N N 124.249 0.300 1 402 89 89 SER H H 8.954 0.020 1 403 89 89 SER C C 171.933 0.300 1 404 89 89 SER CA C 57.815 0.300 1 405 89 89 SER CB C 64.360 0.300 1 406 89 89 SER N N 118.516 0.300 1 407 90 90 LEU H H 8.335 0.020 1 408 90 90 LEU C C 175.720 0.300 1 409 90 90 LEU CA C 54.313 0.300 1 410 90 90 LEU CB C 45.915 0.300 1 411 90 90 LEU N N 126.631 0.300 1 412 91 91 TYR H H 8.762 0.020 1 413 91 91 TYR C C 174.635 0.300 1 414 91 91 TYR CA C 56.755 0.300 1 415 91 91 TYR CB C 40.503 0.300 1 416 91 91 TYR N N 119.444 0.300 1 417 92 92 ALA H H 8.885 0.020 1 418 92 92 ALA C C 173.167 0.300 1 419 92 92 ALA CA C 51.139 0.300 1 420 92 92 ALA CB C 20.453 0.300 1 421 92 92 ALA N N 127.351 0.300 1 422 93 93 VAL H H 7.757 0.020 1 423 93 93 VAL C C 174.786 0.300 1 424 93 93 VAL CA C 60.641 0.300 1 425 93 93 VAL CB C 31.022 0.300 1 426 93 93 VAL N N 125.564 0.300 1 427 94 94 LYS H H 8.725 0.020 1 428 94 94 LYS C C 174.958 0.300 1 429 94 94 LYS CA C 56.226 0.300 1 430 94 94 LYS CB C 34.198 0.300 1 431 94 94 LYS N N 129.463 0.300 1 432 95 95 VAL H H 9.242 0.020 1 433 95 95 VAL C C 171.143 0.300 1 434 95 95 VAL CA C 60.227 0.300 1 435 95 95 VAL CB C 33.037 0.300 1 436 95 95 VAL N N 119.452 0.300 1 437 96 96 LEU H H 6.886 0.020 1 438 96 96 LEU C C 175.918 0.300 1 439 96 96 LEU CA C 51.740 0.300 1 440 96 96 LEU CB C 44.777 0.300 1 441 96 96 LEU N N 116.678 0.300 1 442 97 97 ASP H H 8.982 0.020 1 443 97 97 ASP C C 178.840 0.300 1 444 97 97 ASP CA C 52.305 0.300 1 445 97 97 ASP CB C 42.368 0.300 1 446 97 97 ASP N N 120.039 0.300 1 447 98 98 SER H H 9.608 0.020 1 448 98 98 SER C C 174.482 0.300 1 449 98 98 SER CA C 62.442 0.300 1 450 98 98 SER CB C 63.306 0.300 1 451 98 98 SER N N 116.157 0.300 1 452 99 99 THR H H 8.692 0.020 1 453 99 99 THR C C 176.093 0.300 1 454 99 99 THR CA C 61.736 0.300 1 455 99 99 THR CB C 70.344 0.300 1 456 99 99 THR N N 111.823 0.300 1 457 100 100 GLY H H 8.788 0.020 1 458 100 100 GLY C C 173.499 0.300 1 459 100 100 GLY CA C 45.593 0.300 1 460 100 100 GLY N N 111.528 0.300 1 461 101 101 SER H H 7.670 0.020 1 462 101 101 SER C C 172.584 0.300 1 463 101 101 SER CA C 57.144 0.300 1 464 101 101 SER CB C 64.904 0.300 1 465 101 101 SER N N 115.649 0.300 1 466 102 102 GLY H H 8.203 0.020 1 467 102 102 GLY C C 172.178 0.300 1 468 102 102 GLY CA C 45.770 0.300 1 469 102 102 GLY N N 109.564 0.300 1 470 104 104 TYR C C 178.139 0.300 1 471 104 104 TYR CA C 60.502 0.300 1 472 104 104 TYR CB C 36.072 0.300 1 473 105 105 SER H H 8.568 0.020 1 474 105 105 SER C C 176.148 0.300 1 475 105 105 SER CA C 61.695 0.300 1 476 105 105 SER CB C 62.107 0.300 1 477 105 105 SER N N 113.392 0.300 1 478 106 106 TRP H H 7.045 0.020 1 479 106 106 TRP C C 178.474 0.300 1 480 106 106 TRP CA C 57.737 0.300 1 481 106 106 TRP CB C 29.079 0.300 1 482 106 106 TRP N N 122.760 0.300 1 483 107 107 ILE H H 7.493 0.020 1 484 107 107 ILE C C 177.767 0.300 1 485 107 107 ILE CA C 65.819 0.300 1 486 107 107 ILE CB C 38.910 0.300 1 487 107 107 ILE N N 118.046 0.300 1 488 108 108 ILE H H 8.699 0.020 1 489 108 108 ILE C C 177.450 0.300 1 490 108 108 ILE CA C 66.151 0.300 1 491 108 108 ILE CB C 38.404 0.300 1 492 108 108 ILE N N 119.812 0.300 1 493 109 109 ASN H H 7.727 0.020 1 494 109 109 ASN C C 178.026 0.300 1 495 109 109 ASN CA C 55.590 0.300 1 496 109 109 ASN CB C 37.861 0.300 1 497 109 109 ASN N N 117.809 0.300 1 498 110 110 GLY H H 7.956 0.020 1 499 110 110 GLY C C 174.517 0.300 1 500 110 110 GLY CA C 47.713 0.300 1 501 110 110 GLY N N 109.294 0.300 1 502 111 111 ILE H H 8.352 0.020 1 503 111 111 ILE C C 178.251 0.300 1 504 111 111 ILE CA C 66.045 0.300 1 505 111 111 ILE CB C 36.872 0.300 1 506 111 111 ILE N N 123.539 0.300 1 507 112 112 GLU H H 8.501 0.020 1 508 112 112 GLU C C 179.755 0.300 1 509 112 112 GLU CA C 59.738 0.300 1 510 112 112 GLU CB C 28.691 0.300 1 511 112 112 GLU N N 119.054 0.300 1 512 113 113 TRP H H 7.989 0.020 1 513 113 113 TRP C C 179.077 0.300 1 514 113 113 TRP CA C 62.350 0.300 1 515 113 113 TRP CB C 29.402 0.300 1 516 113 113 TRP N N 120.971 0.300 1 517 114 114 ALA H H 8.181 0.020 1 518 114 114 ALA C C 177.958 0.300 1 519 114 114 ALA CA C 55.095 0.300 1 520 114 114 ALA CB C 18.235 0.300 1 521 114 114 ALA N N 122.789 0.300 1 522 115 115 ILE H H 8.059 0.020 1 523 115 115 ILE C C 180.361 0.300 1 524 115 115 ILE CA C 65.092 0.300 1 525 115 115 ILE CB C 38.793 0.300 1 526 115 115 ILE N N 117.780 0.300 1 527 116 116 SER H H 8.448 0.020 1 528 116 116 SER C C 174.631 0.300 1 529 116 116 SER CA C 61.369 0.300 1 530 116 116 SER CB C 62.961 0.300 1 531 116 116 SER N N 116.551 0.300 1 532 117 117 ASN H H 7.313 0.020 1 533 117 117 ASN C C 172.364 0.300 1 534 117 117 ASN CA C 53.511 0.300 1 535 117 117 ASN CB C 37.705 0.300 1 536 117 117 ASN N N 115.213 0.300 1 537 118 118 ASN H H 7.637 0.020 1 538 118 118 ASN C C 174.635 0.300 1 539 118 118 ASN CA C 54.246 0.300 1 540 118 118 ASN CB C 36.651 0.300 1 541 118 118 ASN N N 114.120 0.300 1 542 119 119 MET H H 7.392 0.020 1 543 119 119 MET C C 174.974 0.300 1 544 119 119 MET CA C 54.283 0.300 1 545 119 119 MET CB C 34.286 0.300 1 546 119 119 MET N N 113.581 0.300 1 547 120 120 ASP H H 8.699 0.020 1 548 120 120 ASP C C 177.338 0.300 1 549 120 120 ASP CA C 56.729 0.300 1 550 120 120 ASP CB C 44.201 0.300 1 551 120 120 ASP N N 117.613 0.300 1 552 121 121 VAL H H 8.159 0.020 1 553 121 121 VAL C C 173.825 0.300 1 554 121 121 VAL CA C 60.199 0.300 1 555 121 121 VAL CB C 37.344 0.300 1 556 121 121 VAL N N 119.527 0.300 1 557 122 122 ILE H H 9.524 0.020 1 558 122 122 ILE C C 172.796 0.300 1 559 122 122 ILE CA C 60.252 0.300 1 560 122 122 ILE CB C 42.135 0.300 1 561 122 122 ILE N N 125.988 0.300 1 562 123 123 ASN H H 8.888 0.020 1 563 123 123 ASN C C 174.161 0.300 1 564 123 123 ASN CA C 53.406 0.300 1 565 123 123 ASN CB C 43.871 0.300 1 566 123 123 ASN N N 126.964 0.300 1 567 124 124 MET H H 9.127 0.020 1 568 124 124 MET C C 174.871 0.300 1 569 124 124 MET CA C 55.194 0.300 1 570 124 124 MET CB C 34.198 0.300 1 571 124 124 MET N N 126.572 0.300 1 572 125 125 SER C C 172.359 0.300 1 573 125 125 SER CA C 58.007 0.300 1 574 125 125 SER CB C 60.113 0.300 1 575 126 126 LEU H H 7.632 0.020 1 576 126 126 LEU C C 174.415 0.300 1 577 126 126 LEU CA C 53.294 0.300 1 578 126 126 LEU CB C 43.844 0.300 1 579 126 126 LEU N N 114.199 0.300 1 580 127 127 GLY H H 8.537 0.020 1 581 127 127 GLY C C 172.364 0.300 1 582 127 127 GLY CA C 45.982 0.300 1 583 127 127 GLY N N 107.718 0.300 1 584 128 128 GLY H H 8.612 0.020 1 585 128 128 GLY C C 172.693 0.300 1 586 128 128 GLY CA C 44.825 0.300 1 587 128 128 GLY N N 108.332 0.300 1 588 129 129 PRO C C 177.013 0.300 1 589 129 129 PRO CA C 64.270 0.300 1 590 129 129 PRO CB C 32.576 0.300 1 591 130 130 THR H H 7.506 0.020 1 592 130 130 THR C C 173.042 0.300 1 593 130 130 THR CA C 60.651 0.300 1 594 130 130 THR CB C 70.966 0.300 1 595 130 130 THR N N 111.579 0.300 1 596 131 131 GLY H H 7.907 0.020 1 597 131 131 GLY C C 172.624 0.300 1 598 131 131 GLY CA C 43.158 0.300 1 599 131 131 GLY N N 112.253 0.300 1 600 132 132 SER H H 7.241 0.020 1 601 132 132 SER C C 172.607 0.300 1 602 132 132 SER CA C 56.971 0.300 1 603 132 132 SER CB C 65.386 0.300 1 604 132 132 SER N N 112.681 0.300 1 605 134 134 ALA C C 179.603 0.300 1 606 134 134 ALA CA C 55.072 0.300 1 607 134 134 ALA CB C 18.475 0.300 1 608 135 135 LEU H H 7.744 0.020 1 609 135 135 LEU C C 176.856 0.300 1 610 135 135 LEU CA C 57.039 0.300 1 611 135 135 LEU CB C 41.953 0.300 1 612 135 135 LEU N N 120.947 0.300 1 613 136 136 LYS H H 8.043 0.020 1 614 136 136 LYS C C 177.636 0.300 1 615 136 136 LYS CA C 60.416 0.300 1 616 136 136 LYS CB C 31.877 0.300 1 617 136 136 LYS N N 119.648 0.300 1 618 137 137 THR H H 8.232 0.020 1 619 137 137 THR C C 177.043 0.300 1 620 137 137 THR CA C 66.681 0.300 1 621 137 137 THR CB C 68.945 0.300 1 622 137 137 THR N N 111.969 0.300 1 623 138 138 VAL H H 7.419 0.020 1 624 138 138 VAL C C 176.399 0.300 1 625 138 138 VAL CA C 65.056 0.300 1 626 138 138 VAL CB C 31.410 0.300 1 627 138 138 VAL N N 120.542 0.300 1 628 139 139 VAL H H 7.987 0.020 1 629 139 139 VAL C C 177.212 0.300 1 630 139 139 VAL CA C 67.387 0.300 1 631 139 139 VAL CB C 31.255 0.300 1 632 139 139 VAL N N 124.282 0.300 1 633 140 140 ASP H H 8.597 0.020 1 634 140 140 ASP C C 179.657 0.300 1 635 140 140 ASP CA C 57.285 0.300 1 636 140 140 ASP CB C 38.838 0.300 1 637 140 140 ASP N N 119.914 0.300 1 638 141 141 LYS H H 8.100 0.020 1 639 141 141 LYS C C 179.179 0.300 1 640 141 141 LYS CA C 59.087 0.300 1 641 141 141 LYS CB C 32.390 0.300 1 642 141 141 LYS N N 122.369 0.300 1 643 142 142 ALA H H 8.327 0.020 1 644 142 142 ALA C C 179.138 0.300 1 645 142 142 ALA CA C 55.660 0.300 1 646 142 142 ALA CB C 16.568 0.300 1 647 142 142 ALA N N 125.099 0.300 1 648 143 143 VAL H H 7.819 0.020 1 649 143 143 VAL C C 181.518 0.300 1 650 143 143 VAL CA C 66.031 0.300 1 651 143 143 VAL CB C 32.162 0.300 1 652 143 143 VAL N N 120.005 0.300 1 653 144 144 SER H H 9.108 0.020 1 654 144 144 SER C C 176.329 0.300 1 655 144 144 SER CA C 61.669 0.300 1 656 144 144 SER CB C 62.806 0.300 1 657 144 144 SER N N 120.095 0.300 1 658 145 145 SER H H 7.920 0.020 1 659 145 145 SER C C 173.893 0.300 1 660 145 145 SER CA C 59.501 0.300 1 661 145 145 SER CB C 63.235 0.300 1 662 145 145 SER N N 116.060 0.300 1 663 146 146 GLY H H 7.882 0.020 1 664 146 146 GLY C C 174.631 0.300 1 665 146 146 GLY CA C 44.710 0.300 1 666 146 146 GLY N N 106.987 0.300 1 667 147 147 ILE H H 7.831 0.020 1 668 147 147 ILE C C 176.280 0.300 1 669 147 147 ILE CA C 62.193 0.300 1 670 147 147 ILE CB C 38.560 0.300 1 671 147 147 ILE N N 123.504 0.300 1 672 148 148 VAL H H 7.668 0.020 1 673 148 148 VAL C C 174.597 0.300 1 674 148 148 VAL CA C 62.670 0.300 1 675 148 148 VAL CB C 32.965 0.300 1 676 148 148 VAL N N 126.429 0.300 1 677 149 149 VAL H H 8.837 0.020 1 678 149 149 VAL C C 173.669 0.300 1 679 149 149 VAL CA C 61.878 0.300 1 680 149 149 VAL CB C 32.887 0.300 1 681 149 149 VAL N N 128.472 0.300 1 682 150 150 ALA H H 8.460 0.020 1 683 150 150 ALA C C 173.783 0.300 1 684 150 150 ALA CA C 50.243 0.300 1 685 150 150 ALA CB C 20.220 0.300 1 686 150 150 ALA N N 131.907 0.300 1 687 151 151 ALA H H 9.535 0.020 1 688 151 151 ALA C C 174.652 0.300 1 689 151 151 ALA CA C 49.620 0.300 1 690 151 151 ALA CB C 22.240 0.300 1 691 151 151 ALA N N 126.332 0.300 1 692 152 152 ALA H H 7.613 0.020 1 693 152 152 ALA C C 178.433 0.300 1 694 152 152 ALA CA C 52.411 0.300 1 695 152 152 ALA CB C 19.493 0.300 1 696 152 152 ALA N N 124.977 0.300 1 697 153 153 ALA H H 9.119 0.020 1 698 153 153 ALA C C 176.364 0.300 1 699 153 153 ALA CA C 54.707 0.300 1 700 153 153 ALA CB C 19.328 0.300 1 701 153 153 ALA N N 122.470 0.300 1 702 154 154 GLY H H 7.313 0.020 1 703 154 154 GLY C C 172.550 0.300 1 704 154 154 GLY CA C 43.297 0.300 1 705 154 154 GLY N N 101.368 0.300 1 706 155 155 ASN H H 8.823 0.020 1 707 155 155 ASN C C 177.575 0.300 1 708 155 155 ASN CA C 51.068 0.300 1 709 155 155 ASN CB C 38.094 0.300 1 710 155 155 ASN N N 120.242 0.300 1 711 156 156 GLU H H 7.502 0.020 1 712 156 156 GLU C C 177.094 0.300 1 713 156 156 GLU CA C 55.536 0.300 1 714 156 156 GLU CB C 30.478 0.300 1 715 156 156 GLU N N 115.975 0.300 1 716 157 157 GLY H H 7.787 0.020 1 717 157 157 GLY C C 171.482 0.300 1 718 157 157 GLY CA C 45.142 0.300 1 719 157 157 GLY N N 107.246 0.300 1 720 158 158 SER H H 8.382 0.020 1 721 158 158 SER C C 174.407 0.300 1 722 158 158 SER CA C 57.601 0.300 1 723 158 158 SER CB C 65.164 0.300 1 724 158 158 SER N N 113.870 0.300 1 725 159 159 SER H H 9.284 0.020 1 726 159 159 SER C C 174.407 0.300 1 727 159 159 SER CA C 56.817 0.300 1 728 159 159 SER CB C 63.740 0.300 1 729 159 159 SER N N 121.238 0.300 1 730 160 160 GLY H H 8.592 0.020 1 731 160 160 GLY C C 174.540 0.300 1 732 160 160 GLY CA C 46.080 0.300 1 733 160 160 GLY N N 112.913 0.300 1 734 161 161 SER C C 174.034 0.300 1 735 161 161 SER CA C 58.086 0.300 1 736 161 161 SER CB C 63.505 0.300 1 737 162 162 THR H H 7.920 0.020 1 738 162 162 THR C C 173.720 0.300 1 739 162 162 THR CA C 61.714 0.300 1 740 162 162 THR CB C 70.153 0.300 1 741 162 162 THR N N 117.133 0.300 1 742 163 163 SER H H 8.783 0.020 1 743 163 163 SER C C 177.335 0.300 1 744 163 163 SER CA C 57.589 0.300 1 745 163 163 SER CB C 62.806 0.300 1 746 163 163 SER N N 118.569 0.300 1 747 164 164 THR H H 9.505 0.020 1 748 164 164 THR C C 174.214 0.300 1 749 164 164 THR CA C 59.723 0.300 1 750 164 164 THR CB C 69.018 0.300 1 751 164 164 THR N N 118.319 0.300 1 752 165 165 VAL H H 7.972 0.020 1 753 165 165 VAL C C 176.060 0.300 1 754 165 165 VAL CA C 63.322 0.300 1 755 165 165 VAL CB C 31.333 0.300 1 756 165 165 VAL N N 127.931 0.300 1 757 166 166 GLY H H 7.996 0.020 1 758 166 166 GLY C C 172.109 0.300 1 759 166 166 GLY CA C 44.145 0.300 1 760 166 166 GLY N N 115.296 0.300 1 761 167 167 TYR H H 8.926 0.020 1 762 167 167 TYR C C 175.036 0.300 1 763 167 167 TYR CA C 56.311 0.300 1 764 167 167 TYR CB C 38.668 0.300 1 765 167 167 TYR N N 114.571 0.300 1 766 168 168 PRO C C 176.278 0.300 1 767 168 168 PRO CA C 62.941 0.300 1 768 168 168 PRO CB C 35.536 0.300 1 769 169 169 ALA H H 7.971 0.020 1 770 169 169 ALA C C 176.534 0.300 1 771 169 169 ALA CA C 54.530 0.300 1 772 169 169 ALA CB C 17.859 0.300 1 773 169 169 ALA N N 127.955 0.300 1 774 170 170 LYS H H 8.286 0.020 1 775 170 170 LYS C C 180.044 0.300 1 776 170 170 LYS CA C 59.864 0.300 1 777 170 170 LYS CB C 34.752 0.300 1 778 170 170 LYS N N 113.846 0.300 1 779 171 171 TYR H H 7.690 0.020 1 780 171 171 TYR C C 175.540 0.300 1 781 171 171 TYR CA C 54.234 0.300 1 782 171 171 TYR CB C 34.985 0.300 1 783 171 171 TYR N N 119.841 0.300 1 784 172 172 PRO C C 178.328 0.300 1 785 172 172 PRO CA C 63.874 0.300 1 786 172 172 PRO CB C 31.799 0.300 1 787 173 173 SER H H 8.739 0.020 1 788 173 173 SER C C 176.032 0.300 1 789 173 173 SER CA C 60.164 0.300 1 790 173 173 SER CB C 61.407 0.300 1 791 173 173 SER N N 116.448 0.300 1 792 174 174 THR H H 8.220 0.020 1 793 174 174 THR C C 175.300 0.300 1 794 174 174 THR CA C 62.088 0.300 1 795 174 174 THR CB C 71.199 0.300 1 796 174 174 THR N N 112.998 0.300 1 797 175 175 ILE H H 8.454 0.020 1 798 175 175 ILE C C 173.739 0.300 1 799 175 175 ILE CA C 60.990 0.300 1 800 175 175 ILE CB C 39.231 0.300 1 801 175 175 ILE N N 122.939 0.300 1 802 176 176 ALA H H 10.692 0.020 1 803 176 176 ALA C C 178.942 0.300 1 804 176 176 ALA CA C 51.422 0.300 1 805 176 176 ALA CB C 20.142 0.300 1 806 176 176 ALA N N 133.496 0.300 1 807 177 177 VAL H H 8.581 0.020 1 808 177 177 VAL C C 176.399 0.300 1 809 177 177 VAL CA C 61.957 0.300 1 810 177 177 VAL CB C 32.626 0.300 1 811 177 177 VAL N N 124.123 0.300 1 812 178 178 GLY H H 9.006 0.020 1 813 178 178 GLY C C 171.770 0.300 1 814 178 178 GLY CA C 43.956 0.300 1 815 178 178 GLY N N 116.384 0.300 1 816 179 179 ALA H H 7.822 0.020 1 817 179 179 ALA C C 176.424 0.300 1 818 179 179 ALA CA C 49.797 0.300 1 819 179 179 ALA CB C 24.782 0.300 1 820 179 179 ALA N N 117.293 0.300 1 821 180 180 VAL H H 7.850 0.020 1 822 180 180 VAL C C 175.568 0.300 1 823 180 180 VAL CA C 58.106 0.300 1 824 180 180 VAL CB C 35.975 0.300 1 825 180 180 VAL N N 111.692 0.300 1 826 181 181 ASN H H 8.292 0.020 1 827 181 181 ASN C C 177.826 0.300 1 828 181 181 ASN CA C 50.645 0.300 1 829 181 181 ASN CB C 39.337 0.300 1 830 181 181 ASN N N 118.197 0.300 1 831 182 182 SER H H 8.468 0.020 1 832 182 182 SER C C 175.008 0.300 1 833 182 182 SER CA C 60.582 0.300 1 834 182 182 SER CB C 62.806 0.300 1 835 182 182 SER N N 113.634 0.300 1 836 183 183 SER H H 7.671 0.020 1 837 183 183 SER C C 173.507 0.300 1 838 183 183 SER CA C 57.521 0.300 1 839 183 183 SER CB C 63.090 0.300 1 840 183 183 SER N N 117.012 0.300 1 841 184 184 ASN H H 8.000 0.020 1 842 184 184 ASN C C 173.221 0.300 1 843 184 184 ASN CA C 54.948 0.300 1 844 184 184 ASN CB C 35.879 0.300 1 845 184 184 ASN N N 112.631 0.300 1 846 185 185 GLN H H 7.728 0.020 1 847 185 185 GLN C C 176.363 0.300 1 848 185 185 GLN CA C 54.036 0.300 1 849 185 185 GLN CB C 29.312 0.300 1 850 185 185 GLN N N 115.808 0.300 1 851 186 186 ARG H H 8.255 0.020 1 852 186 186 ARG C C 175.737 0.300 1 853 186 186 ARG CA C 56.450 0.300 1 854 186 186 ARG CB C 29.390 0.300 1 855 186 186 ARG N N 123.054 0.300 1 856 187 187 ALA H H 8.054 0.020 1 857 187 187 ALA C C 179.143 0.300 1 858 187 187 ALA CA C 50.910 0.300 1 859 187 187 ALA CB C 18.807 0.300 1 860 187 187 ALA N N 131.093 0.300 1 861 188 188 SER H H 8.763 0.020 1 862 188 188 SER C C 174.635 0.300 1 863 188 188 SER CA C 61.351 0.300 1 864 188 188 SER CB C 62.447 0.300 1 865 188 188 SER N N 119.207 0.300 1 866 189 189 PHE H H 6.080 0.020 1 867 189 189 PHE C C 176.653 0.300 1 868 189 189 PHE CA C 55.598 0.300 1 869 189 189 PHE CB C 38.837 0.300 1 870 189 189 PHE N N 110.744 0.300 1 871 190 190 SER H H 7.331 0.020 1 872 190 190 SER C C 175.264 0.300 1 873 190 190 SER CA C 60.005 0.300 1 874 190 190 SER CB C 63.756 0.300 1 875 190 190 SER N N 119.143 0.300 1 876 191 191 SER H H 8.775 0.020 1 877 191 191 SER C C 170.991 0.300 1 878 191 191 SER CA C 62.193 0.300 1 879 191 191 SER CB C 64.826 0.300 1 880 191 191 SER N N 128.361 0.300 1 881 192 192 ALA H H 7.327 0.020 1 882 192 192 ALA C C 173.788 0.300 1 883 192 192 ALA CA C 49.938 0.300 1 884 192 192 ALA CB C 23.328 0.300 1 885 192 192 ALA N N 123.292 0.300 1 886 193 193 GLY H H 7.839 0.020 1 887 193 193 GLY C C 173.019 0.300 1 888 193 193 GLY CA C 44.322 0.300 1 889 193 193 GLY N N 108.373 0.300 1 890 194 194 SER H H 8.427 0.020 1 891 194 194 SER C C 175.215 0.300 1 892 194 194 SER CA C 60.818 0.300 1 893 194 194 SER CB C 62.651 0.300 1 894 194 194 SER N N 114.987 0.300 1 895 195 195 GLU H H 9.048 0.020 1 896 195 195 GLU C C 179.060 0.300 1 897 195 195 GLU CA C 57.921 0.300 1 898 195 195 GLU CB C 29.001 0.300 1 899 195 195 GLU N N 117.617 0.300 1 900 196 196 LEU H H 7.488 0.020 1 901 196 196 LEU C C 174.856 0.300 1 902 196 196 LEU CA C 56.531 0.300 1 903 196 196 LEU CB C 44.185 0.300 1 904 196 196 LEU N N 122.228 0.300 1 905 197 197 ASP H H 8.193 0.020 1 906 197 197 ASP C C 175.455 0.300 1 907 197 197 ASP CA C 57.003 0.300 1 908 197 197 ASP CB C 43.533 0.300 1 909 197 197 ASP N N 121.300 0.300 1 910 198 198 VAL H H 8.004 0.020 1 911 198 198 VAL C C 172.504 0.300 1 912 198 198 VAL CA C 58.839 0.300 1 913 198 198 VAL CB C 37.839 0.300 1 914 198 198 VAL N N 109.301 0.300 1 915 199 199 MET H H 8.554 0.020 1 916 199 199 MET C C 175.169 0.300 1 917 199 199 MET CA C 51.457 0.300 1 918 199 199 MET CB C 36.893 0.300 1 919 199 199 MET N N 114.001 0.300 1 920 200 200 ALA H H 8.433 0.020 1 921 200 200 ALA C C 172.684 0.300 1 922 200 200 ALA CA C 50.372 0.300 1 923 200 200 ALA CB C 21.087 0.300 1 924 200 200 ALA N N 118.687 0.300 1 925 201 201 PRO C C 175.714 0.300 1 926 201 201 PRO CA C 63.516 0.300 1 927 201 201 PRO CB C 31.566 0.300 1 928 202 202 GLY H H 8.890 0.020 1 929 202 202 GLY C C 171.855 0.300 1 930 202 202 GLY CA C 45.739 0.300 1 931 202 202 GLY N N 105.246 0.300 1 932 203 203 VAL H H 7.152 0.020 1 933 203 203 VAL C C 175.026 0.300 1 934 203 203 VAL CA C 61.336 0.300 1 935 203 203 VAL CB C 34.597 0.300 1 936 203 203 VAL N N 118.713 0.300 1 937 204 204 SER H H 9.985 0.020 1 938 204 204 SER C C 173.353 0.300 1 939 204 204 SER CA C 58.808 0.300 1 940 204 204 SER CB C 61.336 0.300 1 941 204 204 SER N N 125.512 0.300 1 942 205 205 ILE H H 8.630 0.020 1 943 205 205 ILE C C 175.420 0.300 1 944 205 205 ILE CA C 57.711 0.300 1 945 205 205 ILE CB C 35.596 0.300 1 946 205 205 ILE N N 120.742 0.300 1 947 206 206 GLN H H 8.944 0.020 1 948 206 206 GLN C C 174.466 0.300 1 949 206 206 GLN CA C 55.731 0.300 1 950 206 206 GLN CB C 28.716 0.300 1 951 206 206 GLN N N 132.473 0.300 1 952 207 207 SER H H 8.348 0.020 1 953 207 207 SER C C 173.909 0.300 1 954 207 207 SER CA C 54.636 0.300 1 955 207 207 SER CB C 60.172 0.300 1 956 207 207 SER N N 117.844 0.300 1 957 208 208 THR H H 8.936 0.020 1 958 208 208 THR C C 173.194 0.300 1 959 208 208 THR CA C 60.111 0.300 1 960 208 208 THR CB C 69.489 0.300 1 961 208 208 THR N N 111.021 0.300 1 962 209 209 LEU H H 7.925 0.020 1 963 209 209 LEU CA C 51.411 0.300 1 964 209 209 LEU CB C 43.792 0.300 1 965 209 209 LEU N N 119.682 0.300 1 966 210 210 PRO C C 176.706 0.300 1 967 210 210 PRO CA C 63.571 0.300 1 968 210 210 PRO CB C 32.188 0.300 1 969 211 211 GLY H H 8.781 0.020 1 970 211 211 GLY C C 176.590 0.300 1 971 211 211 GLY CA C 45.311 0.300 1 972 211 211 GLY N N 109.904 0.300 1 973 212 212 GLY H H 7.583 0.020 1 974 212 212 GLY C C 173.364 0.300 1 975 212 212 GLY CA C 45.629 0.300 1 976 212 212 GLY N N 105.786 0.300 1 977 213 213 THR H H 6.721 0.020 1 978 213 213 THR C C 173.159 0.300 1 979 213 213 THR CA C 58.667 0.300 1 980 213 213 THR CB C 70.888 0.300 1 981 213 213 THR N N 110.049 0.300 1 982 214 214 TYR H H 8.488 0.020 1 983 214 214 TYR C C 175.076 0.300 1 984 214 214 TYR CA C 56.614 0.300 1 985 214 214 TYR CB C 42.912 0.300 1 986 214 214 TYR N N 118.067 0.300 1 987 215 215 GLY H H 8.784 0.020 1 988 215 215 GLY C C 171.560 0.300 1 989 215 215 GLY CA C 46.017 0.300 1 990 215 215 GLY N N 108.023 0.300 1 991 216 216 ALA H H 8.500 0.020 1 992 216 216 ALA C C 176.467 0.300 1 993 216 216 ALA CA C 50.404 0.300 1 994 216 216 ALA CB C 20.594 0.300 1 995 216 216 ALA N N 123.298 0.300 1 996 217 217 TYR H H 7.764 0.020 1 997 217 217 TYR C C 174.839 0.300 1 998 217 217 TYR CA C 53.882 0.300 1 999 217 217 TYR CB C 43.949 0.300 1 1000 217 217 TYR N N 120.498 0.300 1 1001 218 218 ASN H H 8.591 0.020 1 1002 218 218 ASN C C 174.922 0.300 1 1003 218 218 ASN CA C 50.668 0.300 1 1004 218 218 ASN CB C 41.746 0.300 1 1005 218 218 ASN N N 115.924 0.300 1 1006 219 219 GLY H H 9.126 0.020 1 1007 219 219 GLY C C 176.772 0.300 1 1008 219 219 GLY CA C 46.882 0.300 1 1009 219 219 GLY N N 107.641 0.300 1 1010 220 220 THR H H 10.319 0.020 1 1011 220 220 THR C C 179.619 0.300 1 1012 220 220 THR CA C 66.969 0.300 1 1013 220 220 THR CB C 70.111 0.300 1 1014 220 220 THR N N 116.248 0.300 1 1015 221 221 SER H H 10.901 0.020 1 1016 221 221 SER C C 171.051 0.300 1 1017 221 221 SER CA C 60.980 0.300 1 1018 221 221 SER CB C 63.816 0.300 1 1019 221 221 SER N N 122.888 0.300 1 1020 222 222 MET H H 7.588 0.020 1 1021 222 222 MET C C 176.178 0.300 1 1022 222 222 MET CA C 57.749 0.300 1 1023 222 222 MET CB C 33.019 0.300 1 1024 222 222 MET N N 124.012 0.300 1 1025 223 223 ALA H H 6.969 0.020 1 1026 223 223 ALA C C 179.829 0.300 1 1027 223 223 ALA CA C 54.384 0.300 1 1028 223 223 ALA CB C 20.764 0.300 1 1029 223 223 ALA N N 123.456 0.300 1 1030 224 224 THR H H 7.646 0.020 1 1031 224 224 THR CA C 70.113 0.300 1 1032 224 224 THR CB C 66.833 0.300 1 1033 224 224 THR N N 115.523 0.300 1 1034 225 225 PRO C C 179.620 0.300 1 1035 225 225 PRO CA C 64.758 0.300 1 1036 225 225 PRO CB C 32.688 0.300 1 1037 226 226 HIS H H 7.833 0.020 1 1038 226 226 HIS C C 177.399 0.300 1 1039 226 226 HIS CA C 62.337 0.300 1 1040 226 226 HIS CB C 28.000 0.300 1 1041 226 226 HIS N N 117.123 0.300 1 1042 227 227 VAL H H 7.542 0.020 1 1043 227 227 VAL C C 177.263 0.300 1 1044 227 227 VAL CA C 65.625 0.300 1 1045 227 227 VAL CB C 30.936 0.300 1 1046 227 227 VAL N N 119.260 0.300 1 1047 228 228 ALA H H 8.108 0.020 1 1048 228 228 ALA C C 179.595 0.300 1 1049 228 228 ALA CA C 55.587 0.300 1 1050 228 228 ALA CB C 19.091 0.300 1 1051 228 228 ALA N N 122.369 0.300 1 1052 229 229 GLY H H 8.737 0.020 1 1053 229 229 GLY C C 174.974 0.300 1 1054 229 229 GLY CA C 46.966 0.300 1 1055 229 229 GLY N N 102.227 0.300 1 1056 230 230 ALA H H 8.093 0.020 1 1057 230 230 ALA C C 178.891 0.300 1 1058 230 230 ALA CA C 55.468 0.300 1 1059 230 230 ALA CB C 19.572 0.300 1 1060 230 230 ALA N N 125.428 0.300 1 1061 231 231 ALA H H 8.386 0.020 1 1062 231 231 ALA C C 177.990 0.300 1 1063 231 231 ALA CA C 55.193 0.300 1 1064 231 231 ALA CB C 18.225 0.300 1 1065 231 231 ALA N N 118.680 0.300 1 1066 232 232 ALA H H 7.619 0.020 1 1067 232 232 ALA C C 179.213 0.300 1 1068 232 232 ALA CA C 54.957 0.300 1 1069 232 232 ALA CB C 16.840 0.300 1 1070 232 232 ALA N N 118.031 0.300 1 1071 233 233 LEU H H 8.271 0.020 1 1072 233 233 LEU C C 180.389 0.300 1 1073 233 233 LEU CA C 57.870 0.300 1 1074 233 233 LEU CB C 42.474 0.300 1 1075 233 233 LEU N N 117.699 0.300 1 1076 234 234 ILE H H 8.229 0.020 1 1077 234 234 ILE C C 177.518 0.300 1 1078 234 234 ILE CA C 66.597 0.300 1 1079 234 234 ILE CB C 37.884 0.300 1 1080 234 234 ILE N N 119.232 0.300 1 1081 235 235 LEU H H 8.188 0.020 1 1082 235 235 LEU C C 177.602 0.300 1 1083 235 235 LEU CA C 56.846 0.300 1 1084 235 235 LEU CB C 42.455 0.300 1 1085 235 235 LEU N N 119.290 0.300 1 1086 236 236 SER H H 7.768 0.020 1 1087 236 236 SER C C 174.664 0.300 1 1088 236 236 SER CA C 60.392 0.300 1 1089 236 236 SER CB C 63.952 0.300 1 1090 236 236 SER N N 112.921 0.300 1 1091 237 237 LYS H H 7.015 0.020 1 1092 237 237 LYS C C 174.766 0.300 1 1093 237 237 LYS CA C 57.737 0.300 1 1094 237 237 LYS CB C 33.962 0.300 1 1095 237 237 LYS N N 123.441 0.300 1 1096 238 238 HIS H H 7.923 0.020 1 1097 238 238 HIS C C 173.739 0.300 1 1098 238 238 HIS CA C 51.806 0.300 1 1099 238 238 HIS CB C 26.976 0.300 1 1100 238 238 HIS N N 116.717 0.300 1 1101 239 239 PRO C C 178.881 0.300 1 1102 239 239 PRO CA C 64.785 0.300 1 1103 239 239 PRO CB C 32.110 0.300 1 1104 240 240 THR H H 7.803 0.020 1 1105 240 240 THR C C 176.200 0.300 1 1106 240 240 THR CA C 61.589 0.300 1 1107 240 240 THR CB C 69.489 0.300 1 1108 240 240 THR N N 106.769 0.300 1 1109 241 241 TRP H H 8.044 0.020 1 1110 241 241 TRP C C 176.585 0.300 1 1111 241 241 TRP CA C 56.438 0.300 1 1112 241 241 TRP CB C 29.480 0.300 1 1113 241 241 TRP N N 125.681 0.300 1 1114 242 242 THR H H 8.710 0.020 1 1115 242 242 THR C C 175.506 0.300 1 1116 242 242 THR CA C 59.948 0.300 1 1117 242 242 THR CB C 72.160 0.300 1 1118 242 242 THR N N 111.228 0.300 1 1119 243 243 ASN H H 9.259 0.020 1 1120 243 243 ASN C C 177.212 0.300 1 1121 243 243 ASN CA C 56.155 0.300 1 1122 243 243 ASN CB C 35.589 0.300 1 1123 243 243 ASN N N 118.663 0.300 1 1124 244 244 ALA H H 7.428 0.020 1 1125 244 244 ALA C C 179.484 0.300 1 1126 244 244 ALA CA C 54.801 0.300 1 1127 244 244 ALA CB C 18.277 0.300 1 1128 244 244 ALA N N 125.346 0.300 1 1129 245 245 GLN H H 7.587 0.020 1 1130 245 245 GLN C C 178.501 0.300 1 1131 245 245 GLN CA C 58.910 0.300 1 1132 245 245 GLN CB C 29.087 0.300 1 1133 245 245 GLN N N 119.928 0.300 1 1134 246 246 VAL H H 8.429 0.020 1 1135 246 246 VAL C C 177.263 0.300 1 1136 246 246 VAL CA C 67.492 0.300 1 1137 246 246 VAL CB C 31.854 0.300 1 1138 246 246 VAL N N 118.691 0.300 1 1139 247 247 ARG H H 8.337 0.020 1 1140 247 247 ARG C C 177.060 0.300 1 1141 247 247 ARG CA C 60.725 0.300 1 1142 247 247 ARG CB C 29.001 0.300 1 1143 247 247 ARG N N 117.627 0.300 1 1144 248 248 ASP H H 8.355 0.020 1 1145 248 248 ASP C C 180.060 0.300 1 1146 248 248 ASP CA C 57.391 0.300 1 1147 248 248 ASP CB C 41.262 0.300 1 1148 248 248 ASP N N 118.487 0.300 1 1149 249 249 ARG H H 8.165 0.020 1 1150 249 249 ARG C C 179.654 0.300 1 1151 249 249 ARG CA C 57.408 0.300 1 1152 249 249 ARG CB C 29.402 0.300 1 1153 249 249 ARG N N 118.438 0.300 1 1154 250 250 LEU H H 8.270 0.020 1 1155 250 250 LEU C C 178.874 0.300 1 1156 250 250 LEU CA C 57.533 0.300 1 1157 250 250 LEU CB C 42.612 0.300 1 1158 250 250 LEU N N 121.204 0.300 1 1159 251 251 GLU H H 8.385 0.020 1 1160 251 251 GLU C C 178.765 0.300 1 1161 251 251 GLU CA C 60.440 0.300 1 1162 251 251 GLU CB C 30.245 0.300 1 1163 251 251 GLU N N 115.560 0.300 1 1164 252 252 SER H H 8.774 0.020 1 1165 252 252 SER C C 175.754 0.300 1 1166 252 252 SER CA C 61.418 0.300 1 1167 252 252 SER CB C 63.430 0.300 1 1168 252 252 SER N N 112.986 0.300 1 1169 253 253 THR H H 7.091 0.020 1 1170 253 253 THR C C 172.974 0.300 1 1171 253 253 THR CA C 60.994 0.300 1 1172 253 253 THR CB C 69.489 0.300 1 1173 253 253 THR N N 107.434 0.300 1 1174 254 254 ALA H H 6.648 0.020 1 1175 254 254 ALA C C 177.585 0.300 1 1176 254 254 ALA CA C 52.476 0.300 1 1177 254 254 ALA CB C 17.921 0.300 1 1178 254 254 ALA N N 125.186 0.300 1 1179 255 255 THR H H 9.509 0.020 1 1180 255 255 THR C C 173.544 0.300 1 1181 255 255 THR CA C 62.193 0.300 1 1182 255 255 THR CB C 70.033 0.300 1 1183 255 255 THR N N 121.325 0.300 1 1184 256 256 TYR H H 8.801 0.020 1 1185 256 256 TYR C C 175.551 0.300 1 1186 256 256 TYR CA C 60.092 0.300 1 1187 256 256 TYR CB C 38.482 0.300 1 1188 256 256 TYR N N 130.784 0.300 1 1189 257 257 LEU H H 7.633 0.020 1 1190 257 257 LEU C C 174.754 0.300 1 1191 257 257 LEU CA C 53.530 0.300 1 1192 257 257 LEU CB C 45.522 0.300 1 1193 257 257 LEU N N 125.800 0.300 1 1194 258 258 GLY H H 5.216 0.020 1 1195 258 258 GLY C C 170.923 0.300 1 1196 258 258 GLY CA C 44.061 0.300 1 1197 258 258 GLY N N 103.447 0.300 1 1198 259 259 ASN H H 8.385 0.020 1 1199 259 259 ASN C C 177.890 0.300 1 1200 259 259 ASN CA C 54.742 0.300 1 1201 259 259 ASN CB C 40.192 0.300 1 1202 259 259 ASN N N 115.929 0.300 1 1203 260 260 SER H H 9.125 0.020 1 1204 260 260 SER C C 176.585 0.300 1 1205 260 260 SER CA C 60.856 0.300 1 1206 260 260 SER CB C 63.058 0.300 1 1207 260 260 SER N N 125.070 0.300 1 1208 261 261 PHE H H 8.567 0.020 1 1209 261 261 PHE C C 172.771 0.300 1 1210 261 261 PHE CA C 61.277 0.300 1 1211 261 261 PHE CB C 39.624 0.300 1 1212 261 261 PHE N N 126.586 0.300 1 1213 262 262 TYR H H 7.150 0.020 1 1214 262 262 TYR C C 176.331 0.300 1 1215 262 262 TYR CA C 58.612 0.300 1 1216 262 262 TYR CB C 41.435 0.300 1 1217 262 262 TYR N N 108.741 0.300 1 1218 263 263 TYR H H 7.756 0.020 1 1219 263 263 TYR C C 175.386 0.300 1 1220 263 263 TYR CA C 58.451 0.300 1 1221 263 263 TYR CB C 42.368 0.300 1 1222 263 263 TYR N N 114.067 0.300 1 1223 264 264 GLY H H 8.434 0.020 1 1224 264 264 GLY C C 175.331 0.300 1 1225 264 264 GLY CA C 46.082 0.300 1 1226 264 264 GLY N N 109.197 0.300 1 1227 265 265 LYS H H 8.976 0.020 1 1228 265 265 LYS C C 175.718 0.300 1 1229 265 265 LYS CA C 57.082 0.300 1 1230 265 265 LYS CB C 32.311 0.300 1 1231 265 265 LYS N N 124.611 0.300 1 1232 266 266 GLY H H 7.952 0.020 1 1233 266 266 GLY C C 173.242 0.300 1 1234 266 266 GLY CA C 43.375 0.300 1 1235 266 266 GLY N N 103.793 0.300 1 1236 267 267 LEU H H 8.215 0.020 1 1237 267 267 LEU C C 176.839 0.300 1 1238 267 267 LEU CA C 53.788 0.300 1 1239 267 267 LEU CB C 45.208 0.300 1 1240 267 267 LEU N N 121.547 0.300 1 1241 268 268 ILE H H 7.238 0.020 1 1242 268 268 ILE C C 173.962 0.300 1 1243 268 268 ILE CA C 63.149 0.300 1 1244 268 268 ILE CB C 39.337 0.300 1 1245 268 268 ILE N N 117.621 0.300 1 1246 269 269 ASN H H 9.571 0.020 1 1247 269 269 ASN C C 175.658 0.300 1 1248 269 269 ASN CA C 51.210 0.300 1 1249 269 269 ASN CB C 39.231 0.300 1 1250 269 269 ASN N N 120.497 0.300 1 1251 270 270 VAL H H 8.832 0.020 1 1252 270 270 VAL C C 175.364 0.300 1 1253 270 270 VAL CA C 65.162 0.300 1 1254 270 270 VAL CB C 32.498 0.300 1 1255 270 270 VAL N N 120.286 0.300 1 1256 271 271 GLN H H 7.262 0.020 1 1257 271 271 GLN C C 178.009 0.300 1 1258 271 271 GLN CA C 59.369 0.300 1 1259 271 271 GLN CB C 27.986 0.300 1 1260 271 271 GLN N N 120.503 0.300 1 1261 272 272 ALA H H 7.377 0.020 1 1262 272 272 ALA C C 180.824 0.300 1 1263 272 272 ALA CA C 53.788 0.300 1 1264 272 272 ALA CB C 18.821 0.300 1 1265 272 272 ALA N N 121.156 0.300 1 1266 273 273 ALA H H 8.375 0.020 1 1267 273 273 ALA C C 178.331 0.300 1 1268 273 273 ALA CA C 55.201 0.300 1 1269 273 273 ALA CB C 19.415 0.300 1 1270 273 273 ALA N N 120.402 0.300 1 1271 274 274 ALA H H 7.849 0.020 1 1272 274 274 ALA C C 177.399 0.300 1 1273 274 274 ALA CA C 51.634 0.300 1 1274 274 274 ALA CB C 20.609 0.300 1 1275 274 274 ALA N N 114.175 0.300 1 1276 275 275 GLN H H 7.379 0.020 1 1277 275 275 GLN C C 180.515 0.300 1 1278 275 275 GLN CA C 59.677 0.300 1 1279 275 275 GLN CB C 29.559 0.300 1 1280 275 275 GLN N N 126.091 0.300 1 stop_ save_