data_7240 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignment of the 98kDa homotrimeric yeast PCNA ; _BMRB_accession_number 7240 _BMRB_flat_file_name bmr7240.str _Entry_type original _Submission_date 2006-07-21 _Accession_date 2006-07-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone Assignment of the 98kDa homotrimeric yeast PCNA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campos-Olivas Ramon . . 2 Sanchez Ricardo . . 3 Torres Daniel . . 4 Blanco Francisco J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 251 "13C chemical shifts" 768 "15N chemical shifts" 250 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2006-11-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone Assignment of the 98kDa homotrimeric yeast PCNA ring' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17036161 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campos-Olivas Ramon . . 2 Sanchez Ricardo . . 3 Torres Daniel . . 4 Blanco Francisco J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 167 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'scPCNA trimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'scPCNA monomer 1' $scPCNA_monomer 'scPCNA monomer 2' $scPCNA_monomer 'scPCNA monomer 3' $scPCNA_monomer stop_ _System_molecular_weight 97905 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'scPCNA monomer 1' 1 'scPCNA monomer 2' 1 'scPCNA monomer 3' stop_ _Database_query_date . _Details Homotrimer save_ ######################## # Monomeric polymers # ######################## save_scPCNA_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'scPCNA monomer' _Molecular_mass 32635 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 264 _Mol_residue_sequence ; GPHMASMLEAKFEEASLFKR IIDGFKDCVQLVNFQCKEDG IIAQAVDDSRVLLVSLEIGV EAFQEYRCDHPVTLGMDLTS LSKILRCGNNTDTLTLIADN TPDSIILLFEDTKKDRIAEY SLKLMDIDADFLKIEELQYD STLSLPSSEFSKIVRDLSQL SDSINIMITKETIKFVADGD IGSGSVIIKPFVDMEHPETS IKLEMDQPVDLTFGAKYLLD IIKGSSLSDRVGIRLSSEAP ALFQFDLKSGFLQFFLAPKF NDEE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 GLY 2 -5 PRO 3 -4 HIS 4 -3 MET 5 -2 ALA 6 -1 SER 7 1 MET 8 2 LEU 9 3 GLU 10 4 ALA 11 5 LYS 12 6 PHE 13 7 GLU 14 8 GLU 15 9 ALA 16 10 SER 17 11 LEU 18 12 PHE 19 13 LYS 20 14 ARG 21 15 ILE 22 16 ILE 23 17 ASP 24 18 GLY 25 19 PHE 26 20 LYS 27 21 ASP 28 22 CYS 29 23 VAL 30 24 GLN 31 25 LEU 32 26 VAL 33 27 ASN 34 28 PHE 35 29 GLN 36 30 CYS 37 31 LYS 38 32 GLU 39 33 ASP 40 34 GLY 41 35 ILE 42 36 ILE 43 37 ALA 44 38 GLN 45 39 ALA 46 40 VAL 47 41 ASP 48 42 ASP 49 43 SER 50 44 ARG 51 45 VAL 52 46 LEU 53 47 LEU 54 48 VAL 55 49 SER 56 50 LEU 57 51 GLU 58 52 ILE 59 53 GLY 60 54 VAL 61 55 GLU 62 56 ALA 63 57 PHE 64 58 GLN 65 59 GLU 66 60 TYR 67 61 ARG 68 62 CYS 69 63 ASP 70 64 HIS 71 65 PRO 72 66 VAL 73 67 THR 74 68 LEU 75 69 GLY 76 70 MET 77 71 ASP 78 72 LEU 79 73 THR 80 74 SER 81 75 LEU 82 76 SER 83 77 LYS 84 78 ILE 85 79 LEU 86 80 ARG 87 81 CYS 88 82 GLY 89 83 ASN 90 84 ASN 91 85 THR 92 86 ASP 93 87 THR 94 88 LEU 95 89 THR 96 90 LEU 97 91 ILE 98 92 ALA 99 93 ASP 100 94 ASN 101 95 THR 102 96 PRO 103 97 ASP 104 98 SER 105 99 ILE 106 100 ILE 107 101 LEU 108 102 LEU 109 103 PHE 110 104 GLU 111 105 ASP 112 106 THR 113 107 LYS 114 108 LYS 115 109 ASP 116 110 ARG 117 111 ILE 118 112 ALA 119 113 GLU 120 114 TYR 121 115 SER 122 116 LEU 123 117 LYS 124 118 LEU 125 119 MET 126 120 ASP 127 121 ILE 128 122 ASP 129 123 ALA 130 124 ASP 131 125 PHE 132 126 LEU 133 127 LYS 134 128 ILE 135 129 GLU 136 130 GLU 137 131 LEU 138 132 GLN 139 133 TYR 140 134 ASP 141 135 SER 142 136 THR 143 137 LEU 144 138 SER 145 139 LEU 146 140 PRO 147 141 SER 148 142 SER 149 143 GLU 150 144 PHE 151 145 SER 152 146 LYS 153 147 ILE 154 148 VAL 155 149 ARG 156 150 ASP 157 151 LEU 158 152 SER 159 153 GLN 160 154 LEU 161 155 SER 162 156 ASP 163 157 SER 164 158 ILE 165 159 ASN 166 160 ILE 167 161 MET 168 162 ILE 169 163 THR 170 164 LYS 171 165 GLU 172 166 THR 173 167 ILE 174 168 LYS 175 169 PHE 176 170 VAL 177 171 ALA 178 172 ASP 179 173 GLY 180 174 ASP 181 175 ILE 182 176 GLY 183 177 SER 184 178 GLY 185 179 SER 186 180 VAL 187 181 ILE 188 182 ILE 189 183 LYS 190 184 PRO 191 185 PHE 192 186 VAL 193 187 ASP 194 188 MET 195 189 GLU 196 190 HIS 197 191 PRO 198 192 GLU 199 193 THR 200 194 SER 201 195 ILE 202 196 LYS 203 197 LEU 204 198 GLU 205 199 MET 206 200 ASP 207 201 GLN 208 202 PRO 209 203 VAL 210 204 ASP 211 205 LEU 212 206 THR 213 207 PHE 214 208 GLY 215 209 ALA 216 210 LYS 217 211 TYR 218 212 LEU 219 213 LEU 220 214 ASP 221 215 ILE 222 216 ILE 223 217 LYS 224 218 GLY 225 219 SER 226 220 SER 227 221 LEU 228 222 SER 229 223 ASP 230 224 ARG 231 225 VAL 232 226 GLY 233 227 ILE 234 228 ARG 235 229 LEU 236 230 SER 237 231 SER 238 232 GLU 239 233 ALA 240 234 PRO 241 235 ALA 242 236 LEU 243 237 PHE 244 238 GLN 245 239 PHE 246 240 ASP 247 241 LEU 248 242 LYS 249 243 SER 250 244 GLY 251 245 PHE 252 246 LEU 253 247 GLN 254 248 PHE 255 249 PHE 256 250 LEU 257 251 ALA 258 252 PRO 259 253 LYS 260 254 PHE 261 255 ASN 262 256 ASP 263 257 GLU 264 258 GLU 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 1PLQ "Crystal Structure Of The Eukaryotic Dna Polymerase Processivity Factor Pcna" 97.73 258 100.00 100.00 0.00e+00 PDB 1PLR "Crystal Structure Of The Eukaryotic Dna Polymerase Processivity Factor Pcna" 97.73 258 100.00 100.00 0.00e+00 PDB 1SXJ "Crystal Structure Of The Eukaryotic Clamp Loader (Replication Factor C, Rfc) Bound To The Dna Sliding Clamp (Proliferating Cell" 100.00 283 97.35 97.35 0.00e+00 PDB 2OD8 "Structure Of A Peptide Derived From Cdc9 Bound To Pcna" 97.73 258 100.00 100.00 0.00e+00 PDB 3F1W "Crystal Structure Of A Mutant Proliferating Cell Nuclear Antigen That Blocks Translesion Synthesis" 97.73 258 99.61 99.61 0.00e+00 PDB 3GPM "Structure Of The Trimeric Form Of The E113g Pcna Mutant Protein" 97.73 258 99.61 99.61 0.00e+00 PDB 3GPN "Structure Of The Non-Trimeric Form Of The E113g Pcna Mutant Protein" 97.73 258 99.61 99.61 0.00e+00 PDB 3K4X "Eukaryotic Sliding Clamp Pcna Bound To Dna" 98.11 798 98.84 99.23 2.19e-173 PDB 3L0W "Structure Of Split Monoubiquitinated Pcna With Ubiquitin In Position Two" 63.26 169 98.20 98.20 1.02e-110 PDB 3L0X "Structure Of Split Yeast Pcna" 63.26 169 98.20 98.20 1.02e-110 PDB 3L10 "Structure Of Split Monoubiquitinated Pcna With Ubiquitin In Position One" 63.26 169 98.20 98.20 1.02e-110 PDB 3PGE "Structure Of Sumoylated Pcna" 61.74 171 100.00 100.00 3.21e-109 PDB 3V60 "Structure Of S. Cerevisiae Pcna Conjugated To Sumo On Lysine 164" 97.73 258 99.61 99.61 0.00e+00 PDB 3V61 "Structure Of S. Cerevisiae Pcna Conjugated To Sumo On Lysine 164" 97.73 258 99.61 99.61 0.00e+00 PDB 3V62 "Structure Of The S. Cerevisiae Srs2 C-terminal Domain In Complex With Pcna Conjugated To Sumo On Lysine 164" 97.73 258 99.61 99.61 0.00e+00 PDB 4L60 "Structure Of C81r Mutant Pcna Protein Defective In Mismatch Repair" 96.97 256 99.61 99.61 1.46e-179 DBJ GAA21639 "K7_Pol30p [Saccharomyces cerevisiae Kyokai no. 7]" 97.73 258 100.00 100.00 0.00e+00 EMBL CAA34664 "unnamed protein product [Saccharomyces cerevisiae]" 97.73 258 100.00 100.00 0.00e+00 EMBL CAA55594 "proliferating cell nuclear antigen [Saccharomyces cerevisiae]" 97.73 258 100.00 100.00 0.00e+00 EMBL CAA85038 "POL30 [Saccharomyces cerevisiae]" 97.73 258 100.00 100.00 0.00e+00 EMBL CBK39163 "Pol30p [Saccharomyces cerevisiae EC1118]" 97.73 258 100.00 100.00 0.00e+00 GB AAB31034 "proliferating cell nuclear antigen, PCNA [Saccharomyces cerevisiae, pol30-33, Peptide Mutant, 257 aa]" 97.73 257 99.22 99.22 6.02e-179 GB AAS56041 "YBR088C [Saccharomyces cerevisiae]" 97.73 258 100.00 100.00 0.00e+00 GB AHY74571 "Pol30p [Saccharomyces cerevisiae YJM993]" 97.73 258 100.00 100.00 0.00e+00 GB EDN64705 "PCNA [Saccharomyces cerevisiae YJM789]" 97.73 258 100.00 100.00 0.00e+00 GB EDV12015 "proliferating Cell Nuclear Antigen [Saccharomyces cerevisiae RM11-1a]" 97.73 258 100.00 100.00 0.00e+00 REF NP_009645 "proliferating cell nuclear antigen [Saccharomyces cerevisiae S288c]" 97.73 258 100.00 100.00 0.00e+00 REF XP_011102510 "pol30p [Saccharomyces arboricola H-6]" 97.73 258 100.00 100.00 0.00e+00 SP P15873 "RecName: Full=Proliferating cell nuclear antigen; Short=PCNA [Saccharomyces cerevisiae S288c]" 97.73 258 100.00 100.00 0.00e+00 TPG DAA07209 "TPA: proliferating cell nuclear antigen [Saccharomyces cerevisiae S288c]" 97.73 258 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $scPCNA_monomer 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $scPCNA_monomer 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM scPCNA monomer PBS 1x pH 7.0 The concentration of the buffer PBS 1x is: 10mM Na2HPO4, 2mM KH2PO4, 137mM NaCl, 2.7mM KCl 8% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $scPCNA_monomer 1 mM '[U-15N; U-13C; U-93% 2H]' Na2HPO4 10 mM . KH2PO4 2 mM . NaCl 137 mM . KCl 2.7 mM . D2O 8 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1 mM scPCNA monomer PBS 1x pH 7.0 The concentration of the buffer PBS 1x is: 10mM Na2HPO4, 2mM KH2PO4, 137mM NaCl, 2.7mM KCl 8% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $scPCNA_monomer 1 mM [U-15N]-Ile Na2HPO4 10 mM . KH2PO4 2 mM . NaCl 137 mM . KCl 2.7 mM . D2O 8 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 1 mM scPCNA monomer PBS 1x pH 7.0 The concentration of the buffer PBS 1x is: 10mM Na2HPO4, 2mM KH2PO4, 137mM NaCl, 2.7mM KCl 8% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $scPCNA_monomer 1 mM [U-15N]-Leu Na2HPO4 10 mM . KH2PO4 2 mM . NaCl 137 mM . KCl 2.7 mM . D2O 8 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 1 mM scPCNA monomer PBS 1x pH 7.0 The concentration of the buffer PBS 1x is: 10mM Na2HPO4, 2mM KH2PO4, 137mM NaCl, 2.7mM KCl 8% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $scPCNA_monomer 1 mM [U-15N]-Phe Na2HPO4 10 mM . KH2PO4 2 mM . NaCl 137 mM . KCl 2.7 mM . D2O 8 % . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details ; 1 mM scPCNA monomer PBS 1x pH 7.0 The concentration of the buffer PBS 1x is: 10mM Na2HPO4, 2mM KH2PO4, 137mM NaCl, 2.7mM KCl 8% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $scPCNA_monomer 1 mM [U-15N]-Val Na2HPO4 10 mM . KH2PO4 2 mM . NaCl 137 mM . KCl 2.7 mM . D2O 8 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Frank Delaglio' 'NIH, Bethesda' . stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRView _Version 4.0.11 loop_ _Vendor _Address _Electronic_address 'One Moon Scientific' . . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Equiped with a Cryoprobe' save_ save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'TXI and QXI probes' save_ ############################# # NMR applied experiments # ############################# save_2D_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H15N_HSQC' _Sample_label . save_ save_2D_TROSY-1H15N_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY-1H15N' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_4D_1H15N_HSQC-NOESY-1H15N-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H15N_HSQC-NOESY-1H15N-HSQC' _Sample_label . save_ save_2D_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_TROSY-1H15N _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY-1H15N' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HN(CO)CACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HN(COCA)CB _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCACO _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_4D_1H15N_HSQC-NOESY-1H15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H15N HSQC-NOESY-1H15N-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'Standard conditions of all NMR samples' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 308 0.2 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 _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1 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 ; 1H and 15N shifts correspond to the TROSY component, not to the doubly decoupled HN correlation. 13CA and 13CB shifts are those of the 93% deuterated protein. ; loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H15N_HSQC' '2D TROSY-1H15N' '3D HNCACB' '3D HN(CO)CACB' '3D HN(COCA)CB' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACO' '4D 1H15N_HSQC-NOESY-1H15N-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'scPCNA monomer 1' _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 -3 4 MET C C 175.531 0.2 1 2 -3 4 MET CA C 55.519 0.2 1 3 -3 4 MET CB C 32.039 0.2 1 4 -2 5 ALA H H 8.310 0.02 1 5 -2 5 ALA C C 177.277 0.2 1 6 -2 5 ALA CA C 51.605 0.2 1 7 -2 5 ALA CB C 18.242 0.2 1 8 -2 5 ALA N N 124.759 0.1 1 9 -1 6 SER H H 7.927 0.02 1 10 -1 6 SER C C 174.184 0.2 1 11 -1 6 SER CA C 58.168 0.2 1 12 -1 6 SER CB C 63.445 0.2 1 13 -1 6 SER N N 115.807 0.1 1 14 1 7 MET H H 8.403 0.02 1 15 1 7 MET C C 173.671 0.2 1 16 1 7 MET CA C 56.445 0.2 1 17 1 7 MET CB C 32.824 0.2 1 18 1 7 MET N N 123.257 0.1 1 19 2 8 LEU H H 7.731 0.02 1 20 2 8 LEU C C 174.892 0.2 1 21 2 8 LEU CA C 53.127 0.2 1 22 2 8 LEU CB C 44.014 0.2 1 23 2 8 LEU N N 121.370 0.1 1 24 3 9 GLU H H 8.327 0.02 1 25 3 9 GLU C C 173.811 0.2 1 26 3 9 GLU CA C 55.742 0.2 1 27 3 9 GLU CB C 31.156 0.2 1 28 3 9 GLU N N 126.131 0.1 1 29 4 10 ALA H H 8.905 0.02 1 30 4 10 ALA C C 173.751 0.2 1 31 4 10 ALA CA C 49.938 0.2 1 32 4 10 ALA CB C 20.139 0.2 1 33 4 10 ALA N N 131.703 0.1 1 34 5 11 LYS H H 8.985 0.02 1 35 5 11 LYS C C 175.949 0.2 1 36 5 11 LYS CA C 54.855 0.2 1 37 5 11 LYS CB C 35.695 0.2 1 38 5 11 LYS N N 125.180 0.1 1 39 6 12 PHE H H 9.843 0.02 1 40 6 12 PHE C C 175.794 0.2 1 41 6 12 PHE CA C 57.701 0.2 1 42 6 12 PHE CB C 40.056 0.2 1 43 6 12 PHE N N 128.034 0.1 1 44 7 13 GLU H H 8.906 0.02 1 45 7 13 GLU C C 175.219 0.2 1 46 7 13 GLU CA C 58.809 0.2 1 47 7 13 GLU CB C 29.336 0.2 1 48 7 13 GLU N N 124.314 0.1 1 49 8 14 GLU H H 8.221 0.02 1 50 8 14 GLU C C 176.961 0.2 1 51 8 14 GLU CA C 54.245 0.2 1 52 8 14 GLU CB C 31.049 0.2 1 53 8 14 GLU N N 114.031 0.1 1 54 9 15 ALA H H 8.922 0.02 1 55 9 15 ALA C C 178.917 0.2 1 56 9 15 ALA CA C 54.898 0.2 1 57 9 15 ALA CB C 18.660 0.2 1 58 9 15 ALA N N 127.753 0.1 1 59 10 16 SER H H 8.399 0.02 1 60 10 16 SER C C 175.777 0.2 1 61 10 16 SER CA C 59.539 0.2 1 62 10 16 SER CB C 62.150 0.2 1 63 10 16 SER N N 110.986 0.1 1 64 11 17 LEU H H 7.481 0.02 1 65 11 17 LEU C C 177.682 0.2 1 66 11 17 LEU CA C 58.248 0.2 1 67 11 17 LEU CB C 40.345 0.2 1 68 11 17 LEU N N 123.521 0.1 1 69 12 18 PHE H H 7.089 0.02 1 70 12 18 PHE C C 176.805 0.2 1 71 12 18 PHE CA C 58.589 0.2 1 72 12 18 PHE CB C 37.502 0.2 1 73 12 18 PHE N N 117.085 0.1 1 74 13 19 LYS H H 7.415 0.02 1 75 13 19 LYS C C 177.628 0.2 1 76 13 19 LYS CA C 59.741 0.2 1 77 13 19 LYS CB C 31.142 0.2 1 78 13 19 LYS N N 116.805 0.1 1 79 14 20 ARG H H 7.910 0.02 1 80 14 20 ARG C C 178.864 0.2 1 81 14 20 ARG CA C 59.084 0.2 1 82 14 20 ARG CB C 29.544 0.2 1 83 14 20 ARG N N 117.762 0.1 1 84 15 21 ILE H H 7.787 0.02 1 85 15 21 ILE C C 176.973 0.2 1 86 15 21 ILE CA C 65.602 0.2 1 87 15 21 ILE CB C 37.638 0.2 1 88 15 21 ILE N N 119.633 0.1 1 89 16 22 ILE H H 7.465 0.02 1 90 16 22 ILE C C 178.570 0.2 1 91 16 22 ILE CA C 60.815 0.2 1 92 16 22 ILE CB C 41.468 0.2 1 93 16 22 ILE N N 117.935 0.1 1 94 17 23 ASP H H 8.333 0.02 1 95 17 23 ASP C C 178.176 0.2 1 96 17 23 ASP CA C 56.582 0.2 1 97 17 23 ASP CB C 39.132 0.2 1 98 17 23 ASP N N 121.319 0.1 1 99 18 24 GLY H H 7.680 0.02 1 100 18 24 GLY C C 172.255 0.2 1 101 18 24 GLY CA C 45.797 0.2 1 102 18 24 GLY N N 107.986 0.1 1 103 19 25 PHE H H 7.223 0.02 1 104 19 25 PHE C C 175.658 0.2 1 105 19 25 PHE CA C 57.092 0.2 1 106 19 25 PHE CB C 39.669 0.2 1 107 19 25 PHE N N 111.691 0.1 1 108 20 26 LYS H H 7.809 0.02 1 109 20 26 LYS C C 175.772 0.2 1 110 20 26 LYS CA C 57.954 0.2 1 111 20 26 LYS CB C 30.341 0.2 1 112 20 26 LYS N N 120.434 0.1 1 113 21 27 ASP H H 8.847 0.02 1 114 21 27 ASP C C 176.992 0.2 1 115 21 27 ASP CA C 55.126 0.2 1 116 21 27 ASP CB C 39.499 0.2 1 117 21 27 ASP N N 118.906 0.1 1 118 22 28 CYS H H 7.864 0.02 1 119 22 28 CYS C C 174.029 0.2 1 120 22 28 CYS CA C 59.004 0.2 1 121 22 28 CYS CB C 28.603 0.2 1 122 22 28 CYS N N 116.340 0.1 1 123 23 29 VAL H H 7.428 0.02 1 124 23 29 VAL C C 172.562 0.2 1 125 23 29 VAL CA C 60.220 0.2 1 126 23 29 VAL CB C 34.190 0.2 1 127 23 29 VAL N N 116.899 0.1 1 128 24 30 GLN H H 8.081 0.02 1 129 24 30 GLN C C 175.266 0.2 1 130 24 30 GLN CA C 57.623 0.2 1 131 24 30 GLN CB C 29.708 0.2 1 132 24 30 GLN N N 118.747 0.1 1 133 25 31 LEU H H 7.723 0.02 1 134 25 31 LEU C C 175.605 0.2 1 135 25 31 LEU CA C 53.440 0.2 1 136 25 31 LEU CB C 42.294 0.2 1 137 25 31 LEU N N 120.431 0.1 1 138 26 32 VAL H H 8.595 0.02 1 139 26 32 VAL C C 172.523 0.2 1 140 26 32 VAL CA C 60.019 0.2 1 141 26 32 VAL CB C 35.530 0.2 1 142 26 32 VAL N N 122.332 0.1 1 143 27 33 ASN H H 8.569 0.02 1 144 27 33 ASN C C 175.365 0.2 1 145 27 33 ASN CA C 51.468 0.2 1 146 27 33 ASN CB C 39.489 0.2 1 147 27 33 ASN N N 124.890 0.1 1 148 28 34 PHE H H 9.315 0.02 1 149 28 34 PHE C C 175.115 0.2 1 150 28 34 PHE CA C 56.638 0.2 1 151 28 34 PHE CB C 39.135 0.2 1 152 28 34 PHE N N 124.477 0.1 1 153 29 35 GLN H H 9.707 0.02 1 154 29 35 GLN C C 174.664 0.2 1 155 29 35 GLN CA C 55.101 0.2 1 156 29 35 GLN CB C 28.627 0.2 1 157 29 35 GLN N N 124.957 0.1 1 158 30 36 CYS H H 9.010 0.02 1 159 30 36 CYS C C 173.712 0.2 1 160 30 36 CYS CA C 57.008 0.2 1 161 30 36 CYS CB C 27.824 0.2 1 162 30 36 CYS N N 125.552 0.1 1 163 31 37 LYS H H 8.984 0.02 1 164 31 37 LYS C C 177.842 0.2 1 165 31 37 LYS CA C 54.757 0.2 1 166 31 37 LYS CB C 33.327 0.2 1 167 31 37 LYS N N 121.936 0.1 1 168 32 38 GLU H H 9.990 0.02 1 169 32 38 GLU C C 176.145 0.2 1 170 32 38 GLU CA C 60.106 0.2 1 171 32 38 GLU CB C 28.412 0.2 1 172 32 38 GLU N N 122.850 0.1 1 173 33 39 ASP H H 7.988 0.02 1 174 33 39 ASP C C 175.279 0.2 1 175 33 39 ASP CA C 52.161 0.2 1 176 33 39 ASP CB C 39.207 0.2 1 177 33 39 ASP N N 113.276 0.1 1 178 34 40 GLY H H 7.202 0.02 1 179 34 40 GLY C C 171.371 0.2 1 180 34 40 GLY CA C 43.389 0.2 1 181 34 40 GLY N N 107.373 0.1 1 182 35 41 ILE H H 8.342 0.02 1 183 35 41 ILE C C 174.859 0.2 1 184 35 41 ILE CA C 59.006 0.2 1 185 35 41 ILE CB C 41.299 0.2 1 186 35 41 ILE N N 118.378 0.1 1 187 36 42 ILE H H 8.916 0.02 1 188 36 42 ILE C C 174.488 0.2 1 189 36 42 ILE CA C 59.544 0.2 1 190 36 42 ILE CB C 41.550 0.2 1 191 36 42 ILE N N 123.466 0.1 1 192 37 43 ALA H H 8.755 0.02 1 193 37 43 ALA C C 175.477 0.2 1 194 37 43 ALA CA C 51.014 0.2 1 195 37 43 ALA CB C 22.184 0.2 1 196 37 43 ALA N N 124.462 0.1 1 197 38 44 GLN H H 8.134 0.02 1 198 38 44 GLN HE21 H 7.147 0.02 2 199 38 44 GLN C C 174.420 0.2 1 200 38 44 GLN CA C 54.061 0.2 1 201 38 44 GLN CB C 33.157 0.2 1 202 38 44 GLN N N 119.698 0.1 1 203 38 44 GLN NE2 N 110.487 0.1 1 204 39 45 ALA H H 8.880 0.02 1 205 39 45 ALA C C 174.055 0.2 1 206 39 45 ALA CA C 51.394 0.2 1 207 39 45 ALA CB C 23.620 0.2 1 208 39 45 ALA N N 125.459 0.1 1 209 40 46 VAL H H 8.359 0.02 1 210 40 46 VAL C C 175.467 0.2 1 211 40 46 VAL CA C 58.953 0.2 1 212 40 46 VAL CB C 34.196 0.2 1 213 40 46 VAL N N 118.020 0.1 1 214 41 47 ASP H H 8.709 0.02 1 215 41 47 ASP C C 176.933 0.2 1 216 41 47 ASP CA C 53.676 0.2 1 217 41 47 ASP CB C 41.673 0.2 1 218 41 47 ASP N N 124.882 0.1 1 219 42 48 ASP H H 8.856 0.02 1 220 42 48 ASP C C 177.738 0.2 1 221 42 48 ASP CA C 57.320 0.2 1 222 42 48 ASP CB C 40.249 0.2 1 223 42 48 ASP N N 121.366 0.1 1 224 43 49 SER H H 8.163 0.02 1 225 43 49 SER C C 173.666 0.2 1 226 43 49 SER CA C 59.167 0.2 1 227 43 49 SER CB C 63.605 0.2 1 228 43 49 SER N N 114.111 0.1 1 229 44 50 ARG H H 7.971 0.02 1 230 44 50 ARG C C 175.072 0.2 1 231 44 50 ARG CA C 57.100 0.2 1 232 44 50 ARG CB C 25.676 0.2 1 233 44 50 ARG N N 117.988 0.1 1 234 45 51 VAL H H 8.560 0.02 1 235 45 51 VAL C C 174.414 0.2 1 236 45 51 VAL CA C 59.916 0.2 1 237 45 51 VAL CB C 32.960 0.2 1 238 45 51 VAL N N 120.261 0.1 1 239 46 52 LEU H H 8.502 0.02 1 240 46 52 LEU C C 173.654 0.2 1 241 46 52 LEU CA C 53.471 0.2 1 242 46 52 LEU CB C 44.654 0.2 1 243 46 52 LEU N N 124.993 0.1 1 244 47 53 LEU H H 8.727 0.02 1 245 47 53 LEU C C 174.875 0.2 1 246 47 53 LEU CA C 53.670 0.2 1 247 47 53 LEU CB C 44.351 0.2 1 248 47 53 LEU N N 128.525 0.1 1 249 48 54 VAL H H 9.255 0.02 1 250 48 54 VAL C C 174.503 0.2 1 251 48 54 VAL CA C 60.324 0.2 1 252 48 54 VAL CB C 32.894 0.2 1 253 48 54 VAL N N 126.943 0.1 1 254 49 55 SER H H 9.033 0.02 1 255 49 55 SER C C 171.832 0.2 1 256 49 55 SER CA C 56.199 0.2 1 257 49 55 SER CB C 64.621 0.2 1 258 49 55 SER N N 120.794 0.1 1 259 50 56 LEU H H 9.160 0.02 1 260 50 56 LEU C C 175.197 0.2 1 261 50 56 LEU CA C 52.556 0.2 1 262 50 56 LEU CB C 45.005 0.2 1 263 50 56 LEU N N 129.941 0.1 1 264 51 57 GLU H H 8.505 0.02 1 265 51 57 GLU C C 174.002 0.2 1 266 51 57 GLU CA C 55.738 0.2 1 267 51 57 GLU CB C 31.611 0.2 1 268 51 57 GLU N N 126.973 0.1 1 269 52 58 ILE H H 9.029 0.02 1 270 52 58 ILE C C 175.553 0.2 1 271 52 58 ILE CA C 59.917 0.2 1 272 52 58 ILE CB C 39.767 0.2 1 273 52 58 ILE N N 123.093 0.1 1 274 53 59 GLY H H 8.039 0.02 1 275 53 59 GLY C C 174.783 0.2 1 276 53 59 GLY CA C 44.341 0.2 1 277 53 59 GLY N N 113.150 0.1 1 278 54 60 VAL H H 7.620 0.02 1 279 54 60 VAL C C 178.167 0.2 1 280 54 60 VAL CA C 65.373 0.2 1 281 54 60 VAL CB C 30.805 0.2 1 282 54 60 VAL N N 115.861 0.1 1 283 55 61 GLU H H 8.659 0.02 1 284 55 61 GLU C C 176.887 0.2 1 285 55 61 GLU CA C 57.945 0.2 1 286 55 61 GLU CB C 27.931 0.2 1 287 55 61 GLU N N 118.446 0.1 1 288 56 62 ALA H H 7.822 0.02 1 289 56 62 ALA C C 177.169 0.2 1 290 56 62 ALA CA C 52.807 0.2 1 291 56 62 ALA CB C 18.132 0.2 1 292 56 62 ALA N N 120.341 0.1 1 293 57 63 PHE H H 7.468 0.02 1 294 57 63 PHE C C 175.526 0.2 1 295 57 63 PHE CA C 57.037 0.2 1 296 57 63 PHE CB C 38.970 0.2 1 297 57 63 PHE N N 115.637 0.1 1 298 58 64 GLN H H 8.988 0.02 1 299 58 64 GLN C C 176.865 0.2 1 300 58 64 GLN CA C 58.060 0.2 1 301 58 64 GLN CB C 29.364 0.2 1 302 58 64 GLN N N 123.972 0.1 1 303 59 65 GLU H H 7.469 0.02 1 304 59 65 GLU C C 173.734 0.2 1 305 59 65 GLU CA C 55.333 0.2 1 306 59 65 GLU CB C 32.812 0.2 1 307 59 65 GLU N N 115.002 0.1 1 308 60 66 TYR H H 8.609 0.02 1 309 60 66 TYR C C 172.643 0.2 1 310 60 66 TYR CA C 58.865 0.2 1 311 60 66 TYR CB C 41.007 0.2 1 312 60 66 TYR N N 125.312 0.1 1 313 61 67 ARG H H 7.573 0.02 1 314 61 67 ARG C C 172.893 0.2 1 315 61 67 ARG CA C 54.951 0.2 1 316 61 67 ARG CB C 32.049 0.2 1 317 61 67 ARG N N 130.134 0.1 1 318 62 68 CYS H H 8.506 0.02 1 319 62 68 CYS C C 174.234 0.2 1 320 62 68 CYS CA C 58.244 0.2 1 321 62 68 CYS CB C 26.851 0.2 1 322 62 68 CYS N N 127.207 0.1 1 323 63 69 ASP H H 8.651 0.02 1 324 63 69 ASP C C 175.729 0.2 1 325 63 69 ASP CA C 57.209 0.2 1 326 63 69 ASP CB C 41.261 0.2 1 327 63 69 ASP N N 127.852 0.1 1 328 64 70 HIS H H 7.365 0.02 1 329 64 70 HIS C C 170.239 0.2 1 330 64 70 HIS CA C 52.973 0.2 1 331 64 70 HIS CB C 29.739 0.2 1 332 64 70 HIS N N 114.914 0.1 1 333 65 71 PRO C C 176.979 0.2 1 334 65 71 PRO CA C 63.283 0.2 1 335 65 71 PRO CB C 31.285 0.2 1 336 66 72 VAL H H 8.547 0.02 1 337 66 72 VAL C C 172.933 0.2 1 338 66 72 VAL CA C 60.165 0.2 1 339 66 72 VAL CB C 34.476 0.2 1 340 66 72 VAL N N 121.905 0.1 1 341 67 73 THR H H 8.459 0.02 1 342 67 73 THR C C 173.350 0.2 1 343 67 73 THR CA C 61.400 0.2 1 344 67 73 THR CB C 69.337 0.2 1 345 67 73 THR N N 124.251 0.1 1 346 68 74 LEU H H 9.437 0.02 1 347 68 74 LEU C C 175.020 0.2 1 348 68 74 LEU CA C 52.458 0.2 1 349 68 74 LEU CB C 42.448 0.2 1 350 68 74 LEU N N 127.152 0.1 1 351 69 75 GLY H H 9.102 0.02 1 352 69 75 GLY C C 173.520 0.2 1 353 69 75 GLY CA C 45.964 0.2 1 354 69 75 GLY N N 116.598 0.1 1 355 70 76 MET H H 8.851 0.02 1 356 70 76 MET C C 173.390 0.2 1 357 70 76 MET CA C 54.443 0.2 1 358 70 76 MET CB C 36.614 0.2 1 359 70 76 MET N N 123.883 0.1 1 360 71 77 ASP H H 8.144 0.02 1 361 71 77 ASP C C 177.751 0.2 1 362 71 77 ASP CA C 52.196 0.2 1 363 71 77 ASP CB C 41.305 0.2 1 364 71 77 ASP N N 121.360 0.1 1 365 72 78 LEU H H 9.426 0.02 1 366 72 78 LEU C C 179.795 0.2 1 367 72 78 LEU CA C 57.274 0.2 1 368 72 78 LEU CB C 40.458 0.2 1 369 72 78 LEU N N 126.362 0.1 1 370 73 79 THR H H 8.871 0.02 1 371 73 79 THR C C 177.415 0.2 1 372 73 79 THR CA C 66.116 0.2 1 373 73 79 THR CB C 67.099 0.2 1 374 73 79 THR N N 119.121 0.1 1 375 74 80 SER H H 7.723 0.02 1 376 74 80 SER C C 175.483 0.2 1 377 74 80 SER CA C 61.109 0.2 1 378 74 80 SER CB C 62.098 0.2 1 379 74 80 SER N N 121.061 0.1 1 380 75 81 LEU H H 8.399 0.02 1 381 75 81 LEU C C 178.268 0.2 1 382 75 81 LEU CA C 57.748 0.2 1 383 75 81 LEU CB C 40.765 0.2 1 384 75 81 LEU N N 121.382 0.1 1 385 76 82 SER H H 8.150 0.02 1 386 76 82 SER C C 176.155 0.2 1 387 76 82 SER CA C 61.822 0.2 1 388 76 82 SER CB C 67.362 0.2 1 389 76 82 SER N N 112.861 0.1 1 390 77 83 LYS H H 7.141 0.02 1 391 77 83 LYS C C 178.157 0.2 1 392 77 83 LYS CA C 59.540 0.2 1 393 77 83 LYS CB C 31.438 0.2 1 394 77 83 LYS N N 120.861 0.1 1 395 78 84 ILE H H 7.084 0.02 1 396 78 84 ILE C C 178.523 0.2 1 397 78 84 ILE CA C 62.585 0.2 1 398 78 84 ILE CB C 35.589 0.2 1 399 78 84 ILE N N 117.836 0.1 1 400 79 85 LEU H H 8.264 0.02 1 401 79 85 LEU C C 178.721 0.2 1 402 79 85 LEU CA C 56.828 0.2 1 403 79 85 LEU CB C 39.580 0.2 1 404 79 85 LEU N N 117.524 0.1 1 405 80 86 ARG H H 7.281 0.02 1 406 80 86 ARG C C 176.848 0.2 1 407 80 86 ARG CA C 57.257 0.2 1 408 80 86 ARG CB C 28.944 0.2 1 409 80 86 ARG N N 117.398 0.1 1 410 81 87 CYS H H 7.468 0.02 1 411 81 87 CYS C C 174.946 0.2 1 412 81 87 CYS CA C 59.239 0.2 1 413 81 87 CYS CB C 26.229 0.2 1 414 81 87 CYS N N 117.746 0.1 1 415 82 88 GLY H H 7.067 0.02 1 416 82 88 GLY C C 173.455 0.2 1 417 82 88 GLY CA C 44.382 0.2 1 418 82 88 GLY N N 106.425 0.1 1 419 83 89 ASN H H 8.900 0.02 1 420 83 89 ASN C C 177.080 0.2 1 421 83 89 ASN CA C 51.448 0.2 1 422 83 89 ASN CB C 39.623 0.2 1 423 83 89 ASN N N 122.031 0.1 1 424 84 90 ASN C C 175.725 0.2 1 425 84 90 ASN CA C 55.949 0.2 1 426 84 90 ASN CB C 37.431 0.2 1 427 85 91 THR H H 7.227 0.02 1 428 85 91 THR C C 175.008 0.2 1 429 85 91 THR CA C 60.851 0.2 1 430 85 91 THR CB C 68.360 0.2 1 431 85 91 THR N N 104.277 0.1 1 432 86 92 ASP H H 7.425 0.02 1 433 86 92 ASP C C 178.107 0.2 1 434 86 92 ASP CA C 54.984 0.2 1 435 86 92 ASP CB C 41.697 0.2 1 436 86 92 ASP N N 124.123 0.1 1 437 87 93 THR H H 8.894 0.02 1 438 87 93 THR C C 174.377 0.2 1 439 87 93 THR CA C 61.856 0.2 1 440 87 93 THR CB C 70.306 0.2 1 441 87 93 THR N N 113.406 0.1 1 442 88 94 LEU H H 8.112 0.02 1 443 88 94 LEU C C 174.186 0.2 1 444 88 94 LEU CA C 53.014 0.2 1 445 88 94 LEU CB C 44.256 0.2 1 446 88 94 LEU N N 123.440 0.1 1 447 89 95 THR H H 9.078 0.02 1 448 89 95 THR C C 172.415 0.2 1 449 89 95 THR CA C 60.946 0.2 1 450 89 95 THR CB C 69.612 0.2 1 451 89 95 THR N N 124.632 0.1 1 452 90 96 LEU H H 9.266 0.02 1 453 90 96 LEU C C 175.595 0.2 1 454 90 96 LEU CA C 53.316 0.2 1 455 90 96 LEU CB C 42.948 0.2 1 456 90 96 LEU N N 128.305 0.1 1 457 91 97 ILE H H 8.969 0.02 1 458 91 97 ILE C C 174.792 0.2 1 459 91 97 ILE CA C 59.429 0.2 1 460 91 97 ILE CB C 41.273 0.2 1 461 91 97 ILE N N 123.956 0.1 1 462 92 98 ALA H H 8.292 0.02 1 463 92 98 ALA C C 175.947 0.2 1 464 92 98 ALA CA C 50.637 0.2 1 465 92 98 ALA CB C 21.767 0.2 1 466 92 98 ALA N N 125.640 0.1 1 467 93 99 ASP H H 8.667 0.02 1 468 93 99 ASP C C 174.047 0.2 1 469 93 99 ASP CA C 52.977 0.2 1 470 93 99 ASP CB C 41.688 0.2 1 471 93 99 ASP N N 123.809 0.1 1 472 94 100 ASN H H 8.129 0.02 1 473 94 100 ASN C C 175.679 0.2 1 474 94 100 ASN CA C 54.547 0.2 1 475 94 100 ASN CB C 38.704 0.2 1 476 94 100 ASN N N 114.607 0.1 1 477 95 101 THR H H 8.288 0.02 1 478 95 101 THR C C 173.235 0.2 1 479 95 101 THR CA C 59.816 0.2 1 480 95 101 THR CB C 68.677 0.2 1 481 95 101 THR N N 113.985 0.1 1 482 96 102 PRO C C 177.102 0.2 1 483 96 102 PRO CA C 63.349 0.2 1 484 96 102 PRO CB C 31.244 0.2 1 485 97 103 ASP H H 8.642 0.02 1 486 97 103 ASP C C 176.339 0.2 1 487 97 103 ASP CA C 53.786 0.2 1 488 97 103 ASP CB C 41.322 0.2 1 489 97 103 ASP N N 118.164 0.1 1 490 98 104 SER H H 7.737 0.02 1 491 98 104 SER C C 172.096 0.2 1 492 98 104 SER CA C 57.286 0.2 1 493 98 104 SER CB C 65.843 0.2 1 494 98 104 SER N N 114.803 0.1 1 495 99 105 ILE H H 8.676 0.02 1 496 99 105 ILE C C 172.471 0.2 1 497 99 105 ILE CA C 58.218 0.2 1 498 99 105 ILE CB C 41.279 0.2 1 499 99 105 ILE N N 118.306 0.1 1 500 100 106 ILE H H 8.605 0.02 1 501 100 106 ILE C C 175.807 0.2 1 502 100 106 ILE CA C 57.817 0.2 1 503 100 106 ILE CB C 38.822 0.2 1 504 100 106 ILE N N 125.709 0.1 1 505 101 107 LEU H H 9.140 0.02 1 506 101 107 LEU C C 175.587 0.2 1 507 101 107 LEU CA C 54.188 0.2 1 508 101 107 LEU CB C 41.991 0.2 1 509 101 107 LEU N N 126.988 0.1 1 510 102 108 LEU H H 8.976 0.02 1 511 102 108 LEU C C 176.164 0.2 1 512 102 108 LEU CA C 53.162 0.2 1 513 102 108 LEU CB C 43.888 0.2 1 514 102 108 LEU N N 125.193 0.1 1 515 103 109 PHE H H 9.925 0.02 1 516 103 109 PHE C C 176.014 0.2 1 517 103 109 PHE CA C 56.423 0.2 1 518 103 109 PHE CB C 39.715 0.2 1 519 103 109 PHE N N 129.828 0.1 1 520 104 110 GLU H H 8.348 0.02 1 521 104 110 GLU C C 174.207 0.2 1 522 104 110 GLU CA C 54.868 0.2 1 523 104 110 GLU CB C 33.062 0.2 1 524 104 110 GLU N N 122.526 0.1 1 525 105 111 ASP H H 8.081 0.02 1 526 105 111 ASP C C 178.011 0.2 1 527 105 111 ASP CA C 53.306 0.2 1 528 105 111 ASP CB C 41.861 0.2 1 529 105 111 ASP N N 125.184 0.1 1 530 106 112 THR H H 8.669 0.02 1 531 106 112 THR C C 176.388 0.2 1 532 106 112 THR CA C 56.889 0.2 1 533 106 112 THR CB C 68.996 0.2 1 534 106 112 THR N N 117.000 0.1 1 535 107 113 LYS H H 8.595 0.02 1 536 107 113 LYS C C 177.014 0.2 1 537 107 113 LYS CA C 56.969 0.2 1 538 107 113 LYS CB C 31.799 0.2 1 539 107 113 LYS N N 122.227 0.1 1 540 108 114 LYS H H 7.561 0.02 1 541 108 114 LYS C C 175.180 0.2 1 542 108 114 LYS CA C 55.024 0.2 1 543 108 114 LYS CB C 32.201 0.2 1 544 108 114 LYS N N 117.209 0.1 1 545 109 115 ASP H H 7.972 0.02 1 546 109 115 ASP C C 174.561 0.2 1 547 109 115 ASP CA C 54.449 0.2 1 548 109 115 ASP CB C 39.208 0.2 1 549 109 115 ASP N N 120.309 0.1 1 550 110 116 ARG H H 7.785 0.02 1 551 110 116 ARG C C 174.785 0.2 1 552 110 116 ARG CA C 54.952 0.2 1 553 110 116 ARG CB C 31.893 0.2 1 554 110 116 ARG N N 121.931 0.1 1 555 111 117 ILE H H 8.328 0.02 1 556 111 117 ILE C C 173.810 0.2 1 557 111 117 ILE CA C 59.635 0.2 1 558 111 117 ILE CB C 41.089 0.2 1 559 111 117 ILE N N 125.558 0.1 1 560 112 118 ALA H H 9.130 0.02 1 561 112 118 ALA C C 174.262 0.2 1 562 112 118 ALA CA C 50.652 0.2 1 563 112 118 ALA CB C 22.217 0.2 1 564 112 118 ALA N N 130.278 0.1 1 565 113 119 GLU H H 8.845 0.02 1 566 113 119 GLU C C 174.650 0.2 1 567 113 119 GLU CA C 54.730 0.2 1 568 113 119 GLU CB C 32.303 0.2 1 569 113 119 GLU N N 125.363 0.1 1 570 114 120 TYR H H 9.448 0.02 1 571 114 120 TYR C C 174.484 0.2 1 572 114 120 TYR CA C 56.126 0.2 1 573 114 120 TYR CB C 41.602 0.2 1 574 114 120 TYR N N 128.689 0.1 1 575 115 121 SER H H 9.170 0.02 1 576 115 121 SER C C 173.053 0.2 1 577 115 121 SER CA C 55.722 0.2 1 578 115 121 SER CB C 64.423 0.2 1 579 115 121 SER N N 117.138 0.1 1 580 116 122 LEU H H 8.786 0.02 1 581 116 122 LEU C C 175.997 0.2 1 582 116 122 LEU CA C 52.898 0.2 1 583 116 122 LEU CB C 44.229 0.2 1 584 116 122 LEU N N 125.409 0.1 1 585 117 123 LYS H H 7.990 0.02 1 586 117 123 LYS C C 176.761 0.2 1 587 117 123 LYS CA C 57.067 0.2 1 588 117 123 LYS CB C 31.641 0.2 1 589 117 123 LYS N N 125.468 0.1 1 590 118 124 LEU H H 7.930 0.02 1 591 118 124 LEU C C 176.873 0.2 1 592 118 124 LEU CA C 53.680 0.2 1 593 118 124 LEU CB C 41.771 0.2 1 594 118 124 LEU N N 123.445 0.1 1 595 119 125 MET H H 8.567 0.02 1 596 119 125 MET C C 174.761 0.2 1 597 119 125 MET CA C 53.352 0.2 1 598 119 125 MET CB C 34.713 0.2 1 599 119 125 MET N N 119.008 0.1 1 600 120 126 ASP H H 8.331 0.02 1 601 120 126 ASP C C 175.232 0.2 1 602 120 126 ASP CA C 53.749 0.2 1 603 120 126 ASP CB C 40.148 0.2 1 604 120 126 ASP N N 122.443 0.1 1 605 121 127 ILE H H 8.535 0.02 1 606 121 127 ILE C C 175.520 0.2 1 607 121 127 ILE CA C 60.259 0.2 1 608 121 127 ILE CB C 39.041 0.2 1 609 121 127 ILE N N 126.678 0.1 1 610 122 128 ASP H H 8.525 0.02 1 611 122 128 ASP C C 175.096 0.2 1 612 122 128 ASP CA C 53.689 0.2 1 613 122 128 ASP CB C 40.076 0.2 1 614 122 128 ASP N N 128.426 0.1 1 615 123 129 ALA H H 7.895 0.02 1 616 123 129 ALA C C 176.204 0.2 1 617 123 129 ALA CA C 51.676 0.2 1 618 123 129 ALA CB C 19.906 0.2 1 619 123 129 ALA N N 126.310 0.1 1 620 124 130 ASP H H 8.221 0.02 1 621 124 130 ASP C C 175.421 0.2 1 622 124 130 ASP CA C 53.286 0.2 1 623 124 130 ASP CB C 41.383 0.2 1 624 124 130 ASP N N 122.826 0.1 1 625 125 131 PHE H H 8.410 0.02 1 626 125 131 PHE C C 175.102 0.2 1 627 125 131 PHE CA C 57.278 0.2 1 628 125 131 PHE CB C 39.036 0.2 1 629 125 131 PHE N N 122.728 0.1 1 630 126 132 LEU H H 8.770 0.02 1 631 126 132 LEU C C 176.117 0.2 1 632 126 132 LEU CA C 53.938 0.2 1 633 126 132 LEU CB C 42.081 0.2 1 634 126 132 LEU N N 127.836 0.1 1 635 127 133 LYS H H 8.229 0.02 1 636 127 133 LYS C C 175.506 0.2 1 637 127 133 LYS CA C 55.514 0.2 1 638 127 133 LYS CB C 31.519 0.2 1 639 127 133 LYS N N 124.525 0.1 1 640 128 134 ILE H H 8.202 0.02 1 641 128 134 ILE C C 176.060 0.2 1 642 128 134 ILE CA C 60.138 0.2 1 643 128 134 ILE CB C 36.811 0.2 1 644 128 134 ILE N N 127.814 0.1 1 645 129 135 GLU H H 8.213 0.02 1 646 129 135 GLU C C 175.733 0.2 1 647 129 135 GLU CA C 55.292 0.2 1 648 129 135 GLU CB C 30.101 0.2 1 649 129 135 GLU N N 128.068 0.1 1 650 130 136 GLU H H 8.370 0.02 1 651 130 136 GLU C C 175.560 0.2 1 652 130 136 GLU CA C 56.220 0.2 1 653 130 136 GLU CB C 29.067 0.2 1 654 130 136 GLU N N 121.286 0.1 1 655 131 137 LEU H H 7.679 0.02 1 656 131 137 LEU C C 175.443 0.2 1 657 131 137 LEU CA C 53.718 0.2 1 658 131 137 LEU CB C 42.177 0.2 1 659 131 137 LEU N N 125.463 0.1 1 660 132 138 GLN H H 7.746 0.02 1 661 132 138 GLN C C 175.103 0.2 1 662 132 138 GLN CA C 54.524 0.2 1 663 132 138 GLN CB C 28.289 0.2 1 664 132 138 GLN N N 119.145 0.1 1 665 133 139 TYR H H 8.434 0.02 1 666 133 139 TYR C C 175.388 0.2 1 667 133 139 TYR CA C 58.852 0.2 1 668 133 139 TYR CB C 38.565 0.2 1 669 133 139 TYR N N 123.526 0.1 1 670 134 140 ASP H H 8.500 0.02 1 671 134 140 ASP C C 176.801 0.2 1 672 134 140 ASP CA C 57.209 0.2 1 673 134 140 ASP CB C 42.157 0.2 1 674 134 140 ASP N N 123.257 0.1 1 675 135 141 SER H H 8.052 0.02 1 676 135 141 SER C C 172.189 0.2 1 677 135 141 SER CA C 58.806 0.2 1 678 135 141 SER CB C 68.219 0.2 1 679 135 141 SER N N 113.244 0.1 1 680 136 142 THR H H 8.774 0.02 1 681 136 142 THR C C 172.113 0.2 1 682 136 142 THR CA C 61.795 0.2 1 683 136 142 THR CB C 68.377 0.2 1 684 136 142 THR N N 119.540 0.1 1 685 137 143 LEU H H 9.542 0.02 1 686 137 143 LEU C C 175.214 0.2 1 687 137 143 LEU CA C 52.961 0.2 1 688 137 143 LEU CB C 44.749 0.2 1 689 137 143 LEU N N 128.080 0.1 1 690 138 144 SER H H 8.653 0.02 1 691 138 144 SER C C 173.188 0.2 1 692 138 144 SER CA C 56.783 0.2 1 693 138 144 SER CB C 64.354 0.2 1 694 138 144 SER N N 116.841 0.1 1 695 139 145 LEU H H 8.499 0.02 1 696 139 145 LEU C C 174.975 0.2 1 697 139 145 LEU CA C 53.252 0.2 1 698 139 145 LEU CB C 42.072 0.2 1 699 139 145 LEU N N 124.156 0.1 1 700 140 146 PRO C C 178.555 0.2 1 701 140 146 PRO CA C 62.869 0.2 1 702 140 146 PRO CB C 31.730 0.2 1 703 141 147 SER H H 9.297 0.02 1 704 141 147 SER CA C 61.074 0.2 1 705 141 147 SER CB C 62.073 0.2 1 706 141 147 SER N N 126.327 0.1 1 707 142 148 SER C C 176.895 0.2 1 708 142 148 SER CA C 60.568 0.2 1 709 142 148 SER CB C 57.010 0.2 1 710 143 149 GLU H H 6.811 0.02 1 711 143 149 GLU C C 177.990 0.2 1 712 143 149 GLU CA C 58.062 0.2 1 713 143 149 GLU CB C 33.136 0.2 1 714 143 149 GLU N N 123.564 0.1 1 715 144 150 PHE H H 7.660 0.02 1 716 144 150 PHE C C 175.373 0.2 1 717 144 150 PHE CA C 59.848 0.2 1 718 144 150 PHE CB C 38.721 0.2 1 719 144 150 PHE N N 118.413 0.1 1 720 145 151 SER H H 8.243 0.02 1 721 145 151 SER C C 174.855 0.2 1 722 145 151 SER CA C 60.810 0.2 1 723 145 151 SER CB C 62.356 0.2 1 724 145 151 SER N N 111.025 0.1 1 725 146 152 LYS H H 7.175 0.02 1 726 146 152 LYS C C 176.727 0.2 1 727 146 152 LYS CA C 58.993 0.2 1 728 146 152 LYS CB C 31.558 0.2 1 729 146 152 LYS N N 120.878 0.1 1 730 147 153 ILE H H 7.427 0.02 1 731 147 153 ILE C C 177.320 0.2 1 732 147 153 ILE CA C 65.440 0.2 1 733 147 153 ILE CB C 37.445 0.2 1 734 147 153 ILE N N 117.958 0.1 1 735 148 154 VAL H H 7.268 0.02 1 736 148 154 VAL C C 178.583 0.2 1 737 148 154 VAL CA C 66.308 0.2 1 738 148 154 VAL CB C 31.300 0.2 1 739 148 154 VAL N N 116.416 0.1 1 740 149 155 ARG H H 8.247 0.02 1 741 149 155 ARG C C 179.054 0.2 1 742 149 155 ARG CA C 60.092 0.2 1 743 149 155 ARG CB C 28.663 0.2 1 744 149 155 ARG N N 120.937 0.1 1 745 150 156 ASP H H 8.657 0.02 1 746 150 156 ASP C C 178.822 0.2 1 747 150 156 ASP CA C 56.972 0.2 1 748 150 156 ASP CB C 39.446 0.2 1 749 150 156 ASP N N 121.513 0.1 1 750 151 157 LEU H H 8.149 0.02 1 751 151 157 LEU C C 180.167 0.2 1 752 151 157 LEU CA C 57.147 0.2 1 753 151 157 LEU CB C 40.018 0.2 1 754 151 157 LEU N N 117.265 0.1 1 755 152 158 SER H H 8.241 0.02 1 756 152 158 SER C C 174.755 0.2 1 757 152 158 SER CA C 60.690 0.2 1 758 152 158 SER CB C 61.949 0.2 1 759 152 158 SER N N 114.023 0.1 1 760 153 159 GLN H H 7.035 0.02 1 761 153 159 GLN C C 176.856 0.2 1 762 153 159 GLN CA C 56.823 0.2 1 763 153 159 GLN N N 116.681 0.1 1 764 154 160 LEU H H 7.745 0.02 1 765 154 160 LEU C C 176.765 0.2 1 766 154 160 LEU CA C 55.217 0.2 1 767 154 160 LEU CB C 42.542 0.2 1 768 154 160 LEU N N 115.730 0.1 1 769 155 161 SER H H 7.094 0.02 1 770 155 161 SER C C 172.143 0.2 1 771 155 161 SER CA C 55.880 0.2 1 772 155 161 SER CB C 64.133 0.2 1 773 155 161 SER N N 109.375 0.1 1 774 156 162 ASP H H 8.096 0.02 1 775 156 162 ASP C C 177.596 0.2 1 776 156 162 ASP CA C 54.293 0.2 1 777 156 162 ASP CB C 40.527 0.2 1 778 156 162 ASP N N 119.660 0.1 1 779 157 163 SER H H 8.625 0.02 1 780 157 163 SER C C 171.920 0.2 1 781 157 163 SER CA C 58.045 0.2 1 782 157 163 SER CB C 65.124 0.2 1 783 157 163 SER N N 119.778 0.1 1 784 158 164 ILE H H 9.044 0.02 1 785 158 164 ILE C C 173.897 0.2 1 786 158 164 ILE CA C 59.590 0.2 1 787 158 164 ILE CB C 40.549 0.2 1 788 158 164 ILE N N 123.470 0.1 1 789 159 165 ASN H H 9.470 0.02 1 790 159 165 ASN HD21 H 7.488 0.02 2 791 159 165 ASN C C 173.909 0.2 1 792 159 165 ASN CA C 51.399 0.2 1 793 159 165 ASN CB C 41.198 0.2 1 794 159 165 ASN N N 128.458 0.1 1 795 159 165 ASN ND2 N 113.560 0.1 1 796 160 166 ILE H H 9.331 0.02 1 797 160 166 ILE C C 179.847 0.2 1 798 160 166 ILE CA C 60.589 0.2 1 799 160 166 ILE CB C 39.133 0.2 1 800 160 166 ILE N N 124.767 0.1 1 801 161 167 MET H H 8.998 0.02 1 802 161 167 MET C C 175.096 0.2 1 803 161 167 MET CA C 53.724 0.2 1 804 161 167 MET CB C 35.173 0.2 1 805 161 167 MET N N 126.140 0.1 1 806 162 168 ILE H H 8.791 0.02 1 807 162 168 ILE C C 175.693 0.2 1 808 162 168 ILE CA C 59.330 0.2 1 809 162 168 ILE CB C 38.606 0.2 1 810 162 168 ILE N N 126.226 0.1 1 811 163 169 THR H H 8.397 0.02 1 812 163 169 THR C C 172.906 0.2 1 813 163 169 THR CA C 59.619 0.2 1 814 163 169 THR CB C 71.093 0.2 1 815 163 169 THR N N 118.350 0.1 1 816 164 170 LYS H H 8.195 0.02 1 817 164 170 LYS C C 177.410 0.2 1 818 164 170 LYS CA C 58.939 0.2 1 819 164 170 LYS CB C 31.490 0.2 1 820 164 170 LYS N N 117.244 0.1 1 821 165 171 GLU H H 8.200 0.02 1 822 165 171 GLU C C 175.621 0.2 1 823 165 171 GLU CA C 56.722 0.2 1 824 165 171 GLU CB C 29.978 0.2 1 825 165 171 GLU N N 115.559 0.1 1 826 166 172 THR H H 7.613 0.02 1 827 166 172 THR C C 171.340 0.2 1 828 166 172 THR CA C 61.880 0.2 1 829 166 172 THR CB C 72.335 0.2 1 830 166 172 THR N N 111.526 0.1 1 831 167 173 ILE H H 8.384 0.02 1 832 167 173 ILE C C 173.212 0.2 1 833 167 173 ILE CA C 61.202 0.2 1 834 167 173 ILE CB C 38.755 0.2 1 835 167 173 ILE N N 124.444 0.1 1 836 168 174 LYS H H 8.668 0.02 1 837 168 174 LYS C C 173.900 0.2 1 838 168 174 LYS CA C 54.224 0.2 1 839 168 174 LYS CB C 36.202 0.2 1 840 168 174 LYS N N 126.956 0.1 1 841 169 175 PHE H H 9.102 0.02 1 842 169 175 PHE C C 175.585 0.2 1 843 169 175 PHE CA C 55.396 0.2 1 844 169 175 PHE CB C 42.029 0.2 1 845 169 175 PHE N N 124.113 0.1 1 846 170 176 VAL H H 9.257 0.02 1 847 170 176 VAL C C 174.483 0.2 1 848 170 176 VAL CA C 60.465 0.2 1 849 170 176 VAL CB C 35.833 0.2 1 850 170 176 VAL N N 121.867 0.1 1 851 171 177 ALA H H 9.032 0.02 1 852 171 177 ALA C C 174.757 0.2 1 853 171 177 ALA CA C 51.079 0.2 1 854 171 177 ALA CB C 24.245 0.2 1 855 171 177 ALA N N 128.331 0.1 1 856 172 178 ASP H H 9.013 0.02 1 857 172 178 ASP C C 174.992 0.2 1 858 172 178 ASP CA C 53.511 0.2 1 859 172 178 ASP CB C 43.175 0.2 1 860 172 178 ASP N N 123.369 0.1 1 861 173 179 GLY H H 8.321 0.02 1 862 173 179 GLY C C 174.337 0.2 1 863 173 179 GLY CA C 44.654 0.2 1 864 173 179 GLY N N 111.806 0.1 1 865 174 180 ASP H H 8.557 0.02 1 866 174 180 ASP C C 178.799 0.2 1 867 174 180 ASP CA C 56.985 0.2 1 868 174 180 ASP CB C 40.277 0.2 1 869 174 180 ASP N N 121.009 0.1 1 870 175 181 ILE H H 8.352 0.02 1 871 175 181 ILE C C 175.710 0.2 1 872 175 181 ILE CA C 62.087 0.2 1 873 175 181 ILE CB C 37.894 0.2 1 874 175 181 ILE N N 112.822 0.1 1 875 176 182 GLY H H 7.343 0.02 1 876 176 182 GLY C C 171.406 0.2 1 877 176 182 GLY CA C 44.418 0.2 1 878 176 182 GLY N N 107.716 0.1 1 879 177 183 SER H H 8.730 0.02 1 880 177 183 SER C C 173.072 0.2 1 881 177 183 SER CA C 56.840 0.2 1 882 177 183 SER CB C 66.753 0.2 1 883 177 183 SER N N 114.467 0.1 1 884 178 184 GLY H H 9.120 0.02 1 885 178 184 GLY C C 171.202 0.2 1 886 178 184 GLY CA C 46.085 0.2 1 887 178 184 GLY N N 108.732 0.1 1 888 179 185 SER H H 7.998 0.02 1 889 179 185 SER C C 172.942 0.2 1 890 179 185 SER CA C 56.000 0.2 1 891 179 185 SER CB C 65.394 0.2 1 892 179 185 SER N N 116.691 0.1 1 893 180 186 VAL H H 9.388 0.02 1 894 180 186 VAL C C 174.607 0.2 1 895 180 186 VAL CA C 61.701 0.2 1 896 180 186 VAL CB C 33.699 0.2 1 897 180 186 VAL N N 125.516 0.1 1 898 181 187 ILE H H 8.909 0.02 1 899 181 187 ILE C C 175.766 0.2 1 900 181 187 ILE CA C 58.603 0.2 1 901 181 187 ILE CB C 39.119 0.2 1 902 181 187 ILE N N 127.460 0.1 1 903 182 188 ILE H H 9.227 0.02 1 904 182 188 ILE C C 174.056 0.2 1 905 182 188 ILE CA C 59.279 0.2 1 906 182 188 ILE CB C 40.494 0.2 1 907 182 188 ILE N N 124.900 0.1 1 908 183 189 LYS H H 7.962 0.02 1 909 183 189 LYS C C 174.153 0.2 1 910 183 189 LYS CA C 52.430 0.2 1 911 183 189 LYS CB C 32.676 0.2 1 912 183 189 LYS N N 123.069 0.1 1 913 184 190 PRO C C 176.032 0.2 1 914 184 190 PRO CA C 62.610 0.2 1 915 184 190 PRO CB C 31.788 0.2 1 916 185 191 PHE H H 8.714 0.02 1 917 185 191 PHE C C 172.674 0.2 1 918 185 191 PHE CA C 57.560 0.2 1 919 185 191 PHE CB C 41.004 0.2 1 920 185 191 PHE N N 121.798 0.1 1 921 186 192 VAL H H 8.150 0.02 1 922 186 192 VAL C C 173.911 0.2 1 923 186 192 VAL CA C 60.802 0.2 1 924 186 192 VAL CB C 33.012 0.2 1 925 186 192 VAL N N 123.851 0.1 1 926 187 193 ASP H H 7.987 0.02 1 927 187 193 ASP C C 176.807 0.2 1 928 187 193 ASP CA C 52.164 0.2 1 929 187 193 ASP CB C 41.826 0.2 1 930 187 193 ASP N N 128.294 0.1 1 931 188 194 MET H H 8.621 0.02 1 932 188 194 MET C C 177.677 0.2 1 933 188 194 MET CA C 56.678 0.2 1 934 188 194 MET CB C 30.875 0.2 1 935 188 194 MET N N 123.064 0.1 1 936 189 195 GLU H H 8.100 0.02 1 937 189 195 GLU C C 176.483 0.2 1 938 189 195 GLU CA C 57.161 0.2 1 939 189 195 GLU CB C 29.644 0.2 1 940 189 195 GLU N N 118.017 0.1 1 941 190 196 HIS H H 7.632 0.02 1 942 190 196 HIS C C 172.699 0.2 1 943 190 196 HIS CA C 52.689 0.2 1 944 190 196 HIS CB C 28.456 0.2 1 945 190 196 HIS N N 116.158 0.1 1 946 191 197 PRO C C 178.813 0.2 1 947 191 197 PRO CA C 64.903 0.2 1 948 191 197 PRO CB C 30.845 0.2 1 949 192 198 GLU H H 10.321 0.02 1 950 192 198 GLU C C 178.171 0.2 1 951 192 198 GLU CA C 58.527 0.2 1 952 192 198 GLU CB C 26.625 0.2 1 953 192 198 GLU N N 121.749 0.1 1 954 193 199 THR H H 8.162 0.02 1 955 193 199 THR C C 174.225 0.2 1 956 193 199 THR CA C 61.932 0.2 1 957 193 199 THR CB C 69.279 0.2 1 958 193 199 THR N N 113.126 0.1 1 959 194 200 SER H H 7.270 0.02 1 960 194 200 SER C C 174.086 0.2 1 961 194 200 SER CA C 59.840 0.2 1 962 194 200 SER CB C 63.667 0.2 1 963 194 200 SER N N 115.763 0.1 1 964 195 201 ILE H H 8.479 0.02 1 965 195 201 ILE C C 174.443 0.2 1 966 195 201 ILE CA C 60.717 0.2 1 967 195 201 ILE CB C 38.528 0.2 1 968 195 201 ILE N N 125.361 0.1 1 969 196 202 LYS H H 8.588 0.02 1 970 196 202 LYS C C 173.897 0.2 1 971 196 202 LYS CA C 54.637 0.2 1 972 196 202 LYS CB C 34.090 0.2 1 973 196 202 LYS N N 127.069 0.1 1 974 197 203 LEU H H 8.582 0.02 1 975 197 203 LEU C C 174.477 0.2 1 976 197 203 LEU CA C 51.009 0.2 1 977 197 203 LEU CB C 45.702 0.2 1 978 197 203 LEU N N 125.310 0.1 1 979 198 204 GLU H H 8.925 0.02 1 980 198 204 GLU C C 174.230 0.2 1 981 198 204 GLU CA C 54.982 0.2 1 982 198 204 GLU CB C 30.358 0.2 1 983 198 204 GLU N N 128.486 0.1 1 984 199 205 MET C C 174.094 0.2 1 985 199 205 MET CA C 57.381 0.2 1 986 199 205 MET CB C 34.346 0.2 1 987 200 206 ASP H H 8.589 0.02 1 988 200 206 ASP C C 176.268 0.2 1 989 200 206 ASP CA C 55.836 0.2 1 990 200 206 ASP CB C 41.713 0.2 1 991 200 206 ASP N N 127.298 0.1 1 992 201 207 GLN H H 8.005 0.02 1 993 201 207 GLN C C 171.726 0.2 1 994 201 207 GLN CA C 52.720 0.2 1 995 201 207 GLN CB C 30.251 0.2 1 996 201 207 GLN N N 117.967 0.1 1 997 202 208 PRO C C 176.320 0.2 1 998 202 208 PRO CA C 62.842 0.2 1 999 202 208 PRO CB C 32.333 0.2 1 1000 203 209 VAL H H 7.544 0.02 1 1001 203 209 VAL C C 174.023 0.2 1 1002 203 209 VAL CA C 59.539 0.2 1 1003 203 209 VAL CB C 35.338 0.2 1 1004 203 209 VAL N N 114.519 0.1 1 1005 204 210 ASP H H 8.399 0.02 1 1006 204 210 ASP C C 174.900 0.2 1 1007 204 210 ASP CA C 53.596 0.2 1 1008 204 210 ASP CB C 41.227 0.2 1 1009 204 210 ASP N N 126.405 0.1 1 1010 205 211 LEU H H 8.580 0.02 1 1011 205 211 LEU C C 175.508 0.2 1 1012 205 211 LEU CA C 53.201 0.2 1 1013 205 211 LEU CB C 48.364 0.2 1 1014 205 211 LEU N N 124.179 0.1 1 1015 206 212 THR H H 8.483 0.02 1 1016 206 212 THR C C 171.805 0.2 1 1017 206 212 THR CA C 62.035 0.2 1 1018 206 212 THR CB C 69.912 0.2 1 1019 206 212 THR N N 119.456 0.1 1 1020 207 213 PHE H H 9.043 0.02 1 1021 207 213 PHE C C 175.932 0.2 1 1022 207 213 PHE CA C 55.980 0.2 1 1023 207 213 PHE CB C 43.576 0.2 1 1024 207 213 PHE N N 122.329 0.1 1 1025 208 214 GLY H H 9.215 0.02 1 1026 208 214 GLY C C 174.521 0.2 1 1027 208 214 GLY CA C 46.153 0.2 1 1028 208 214 GLY N N 108.408 0.1 1 1029 209 215 ALA H H 8.926 0.02 1 1030 209 215 ALA C C 178.167 0.2 1 1031 209 215 ALA CA C 55.250 0.2 1 1032 209 215 ALA CB C 17.118 0.2 1 1033 209 215 ALA N N 131.871 0.1 1 1034 210 216 LYS H H 8.730 0.02 1 1035 210 216 LYS C C 178.189 0.2 1 1036 210 216 LYS CA C 59.051 0.2 1 1037 210 216 LYS CB C 30.969 0.2 1 1038 210 216 LYS N N 116.101 0.1 1 1039 211 217 TYR H H 6.572 0.02 1 1040 211 217 TYR C C 178.964 0.2 1 1041 211 217 TYR CA C 59.621 0.2 1 1042 211 217 TYR CB C 39.127 0.2 1 1043 211 217 TYR N N 115.926 0.1 1 1044 212 218 LEU H H 7.318 0.02 1 1045 212 218 LEU C C 177.773 0.2 1 1046 212 218 LEU CA C 57.738 0.2 1 1047 212 218 LEU CB C 40.817 0.2 1 1048 212 218 LEU N N 119.177 0.1 1 1049 213 219 LEU H H 8.200 0.02 1 1050 213 219 LEU C C 177.952 0.2 1 1051 213 219 LEU CA C 57.002 0.2 1 1052 213 219 LEU CB C 40.619 0.2 1 1053 213 219 LEU N N 118.112 0.1 1 1054 214 220 ASP H H 6.909 0.02 1 1055 214 220 ASP C C 178.995 0.2 1 1056 214 220 ASP CA C 56.561 0.2 1 1057 214 220 ASP CB C 40.122 0.2 1 1058 214 220 ASP N N 117.964 0.1 1 1059 215 221 ILE H H 7.659 0.02 1 1060 215 221 ILE C C 177.655 0.2 1 1061 215 221 ILE CA C 64.700 0.2 1 1062 215 221 ILE CB C 36.786 0.2 1 1063 215 221 ILE N N 124.784 0.1 1 1064 216 222 ILE H H 7.502 0.02 1 1065 216 222 ILE C C 178.447 0.2 1 1066 216 222 ILE CA C 64.451 0.2 1 1067 216 222 ILE CB C 36.951 0.2 1 1068 216 222 ILE N N 108.052 0.1 1 1069 217 223 LYS H H 7.354 0.02 1 1070 217 223 LYS C C 178.454 0.2 1 1071 217 223 LYS CA C 58.521 0.2 1 1072 217 223 LYS CB C 30.080 0.2 1 1073 217 223 LYS N N 124.388 0.1 1 1074 218 224 GLY H H 8.135 0.02 1 1075 218 224 GLY C C 173.352 0.2 1 1076 218 224 GLY CA C 44.815 0.2 1 1077 218 224 GLY N N 107.651 0.1 1 1078 219 225 SER H H 7.490 0.02 1 1079 219 225 SER C C 174.148 0.2 1 1080 219 225 SER CA C 60.832 0.2 1 1081 219 225 SER CB C 62.713 0.2 1 1082 219 225 SER N N 114.808 0.1 1 1083 220 226 SER H H 7.341 0.02 1 1084 220 226 SER C C 175.322 0.2 1 1085 220 226 SER CA C 59.807 0.2 1 1086 220 226 SER CB C 62.306 0.2 1 1087 220 226 SER N N 114.914 0.1 1 1088 221 227 LEU H H 7.859 0.02 1 1089 221 227 LEU C C 176.203 0.2 1 1090 221 227 LEU CA C 56.222 0.2 1 1091 221 227 LEU CB C 42.053 0.2 1 1092 221 227 LEU N N 120.587 0.1 1 1093 222 228 SER H H 7.040 0.02 1 1094 222 228 SER C C 174.307 0.2 1 1095 222 228 SER CA C 56.721 0.2 1 1096 222 228 SER CB C 64.738 0.2 1 1097 222 228 SER N N 109.228 0.1 1 1098 223 229 ASP C C 176.854 0.2 1 1099 223 229 ASP CA C 56.034 0.2 1 1100 223 229 ASP CB C 44.167 0.2 1 1101 224 230 ARG H H 8.253 0.02 1 1102 224 230 ARG C C 173.905 0.2 1 1103 224 230 ARG CA C 55.169 0.2 1 1104 224 230 ARG CB C 33.025 0.2 1 1105 224 230 ARG N N 122.951 0.1 1 1106 225 231 VAL H H 8.829 0.02 1 1107 225 231 VAL C C 171.995 0.2 1 1108 225 231 VAL CA C 57.993 0.2 1 1109 225 231 VAL CB C 34.388 0.2 1 1110 225 231 VAL N N 122.284 0.1 1 1111 226 232 GLY H H 8.293 0.02 1 1112 226 232 GLY C C 172.120 0.2 1 1113 226 232 GLY CA C 43.424 0.2 1 1114 226 232 GLY N N 115.074 0.1 1 1115 227 233 ILE H H 8.798 0.02 1 1116 227 233 ILE C C 174.423 0.2 1 1117 227 233 ILE CA C 59.241 0.2 1 1118 227 233 ILE CB C 39.242 0.2 1 1119 227 233 ILE N N 125.161 0.1 1 1120 228 234 ARG H H 8.997 0.02 1 1121 228 234 ARG C C 174.068 0.2 1 1122 228 234 ARG CA C 54.231 0.2 1 1123 228 234 ARG CB C 28.944 0.2 1 1124 228 234 ARG N N 127.575 0.1 1 1125 229 235 LEU H H 8.462 0.02 1 1126 229 235 LEU C C 176.074 0.2 1 1127 229 235 LEU CA C 53.535 0.2 1 1128 229 235 LEU CB C 44.903 0.2 1 1129 229 235 LEU N N 120.181 0.1 1 1130 230 236 SER H H 9.443 0.02 1 1131 230 236 SER C C 174.134 0.2 1 1132 230 236 SER CA C 55.939 0.2 1 1133 230 236 SER CB C 64.543 0.2 1 1134 230 236 SER N N 117.865 0.1 1 1135 231 237 SER H H 8.834 0.02 1 1136 231 237 SER C C 174.460 0.2 1 1137 231 237 SER CA C 60.671 0.2 1 1138 231 237 SER CB C 62.619 0.2 1 1139 231 237 SER N N 121.935 0.1 1 1140 232 238 GLU H H 8.207 0.02 1 1141 232 238 GLU C C 174.481 0.2 1 1142 232 238 GLU CA C 55.578 0.2 1 1143 232 238 GLU CB C 31.016 0.2 1 1144 232 238 GLU N N 118.289 0.1 1 1145 233 239 ALA H H 7.545 0.02 1 1146 233 239 ALA C C 173.550 0.2 1 1147 233 239 ALA CA C 50.268 0.2 1 1148 233 239 ALA CB C 19.508 0.2 1 1149 233 239 ALA N N 124.199 0.1 1 1150 234 240 PRO C C 176.129 0.2 1 1151 234 240 PRO CA C 63.331 0.2 1 1152 234 240 PRO CB C 31.307 0.2 1 1153 235 241 ALA H H 8.598 0.02 1 1154 235 241 ALA C C 175.012 0.2 1 1155 235 241 ALA CA C 51.652 0.2 1 1156 235 241 ALA CB C 21.695 0.2 1 1157 235 241 ALA N N 125.994 0.1 1 1158 236 242 LEU H H 8.232 0.02 1 1159 236 242 LEU C C 173.791 0.2 1 1160 236 242 LEU CA C 53.230 0.2 1 1161 236 242 LEU CB C 42.059 0.2 1 1162 236 242 LEU N N 123.046 0.1 1 1163 237 243 PHE H H 9.131 0.02 1 1164 237 243 PHE C C 174.092 0.2 1 1165 237 243 PHE CA C 55.644 0.2 1 1166 237 243 PHE CB C 40.368 0.2 1 1167 237 243 PHE N N 125.161 0.1 1 1168 238 244 GLN H H 9.309 0.02 1 1169 238 244 GLN C C 173.879 0.2 1 1170 238 244 GLN CA C 54.957 0.2 1 1171 238 244 GLN CB C 31.595 0.2 1 1172 238 244 GLN N N 123.888 0.1 1 1173 239 245 PHE H H 9.315 0.02 1 1174 239 245 PHE C C 174.234 0.2 1 1175 239 245 PHE CA C 56.249 0.2 1 1176 239 245 PHE CB C 39.979 0.2 1 1177 239 245 PHE N N 127.830 0.1 1 1178 240 246 ASP H H 8.995 0.02 1 1179 240 246 ASP C C 175.817 0.2 1 1180 240 246 ASP CA C 55.701 0.2 1 1181 240 246 ASP CB C 41.355 0.2 1 1182 240 246 ASP N N 125.308 0.1 1 1183 241 247 LEU H H 7.976 0.02 1 1184 241 247 LEU C C 176.876 0.2 1 1185 241 247 LEU CA C 52.877 0.2 1 1186 241 247 LEU CB C 42.813 0.2 1 1187 241 247 LEU N N 120.589 0.1 1 1188 242 248 LYS C C 177.235 0.2 1 1189 242 248 LYS CA C 58.791 0.2 1 1190 242 248 LYS CB C 30.858 0.2 1 1191 243 249 SER H H 7.488 0.02 1 1192 243 249 SER C C 173.814 0.2 1 1193 243 249 SER CA C 57.576 0.2 1 1194 243 249 SER CB C 62.842 0.2 1 1195 243 249 SER N N 112.620 0.1 1 1196 244 250 GLY H H 7.694 0.02 1 1197 244 250 GLY C C 172.960 0.2 1 1198 244 250 GLY CA C 44.105 0.2 1 1199 244 250 GLY N N 111.222 0.1 1 1200 245 251 PHE H H 8.736 0.02 1 1201 245 251 PHE C C 172.960 0.2 1 1202 245 251 PHE CA C 56.014 0.2 1 1203 245 251 PHE CB C 40.231 0.2 1 1204 245 251 PHE N N 116.569 0.1 1 1205 246 252 LEU H H 8.997 0.02 1 1206 246 252 LEU C C 174.079 0.2 1 1207 246 252 LEU CA C 54.462 0.2 1 1208 246 252 LEU CB C 42.595 0.2 1 1209 246 252 LEU N N 121.724 0.1 1 1210 247 253 GLN H H 9.552 0.02 1 1211 247 253 GLN C C 173.648 0.2 1 1212 247 253 GLN CA C 53.504 0.2 1 1213 247 253 GLN CB C 31.823 0.2 1 1214 247 253 GLN N N 125.875 0.1 1 1215 248 254 PHE H H 9.054 0.02 1 1216 248 254 PHE C C 174.872 0.2 1 1217 248 254 PHE CA C 56.353 0.2 1 1218 248 254 PHE CB C 42.214 0.2 1 1219 248 254 PHE N N 118.534 0.1 1 1220 249 255 PHE H H 9.805 0.02 1 1221 249 255 PHE C C 175.890 0.2 1 1222 249 255 PHE CA C 56.361 0.2 1 1223 249 255 PHE CB C 40.493 0.2 1 1224 249 255 PHE N N 122.059 0.1 1 1225 250 256 LEU H H 9.481 0.02 1 1226 250 256 LEU C C 175.016 0.2 1 1227 250 256 LEU CA C 52.654 0.2 1 1228 250 256 LEU CB C 45.851 0.2 1 1229 250 256 LEU N N 126.461 0.1 1 1230 251 257 ALA H H 8.722 0.02 1 1231 251 257 ALA CA C 50.553 0.2 1 1232 251 257 ALA CB C 17.459 0.2 1 1233 251 257 ALA N N 132.841 0.1 1 1234 252 258 PRO C C 175.592 0.2 1 1235 252 258 PRO CA C 61.792 0.2 1 1236 252 258 PRO CB C 31.136 0.2 1 1237 253 259 LYS H H 8.249 0.02 1 1238 253 259 LYS C C 176.167 0.2 1 1239 253 259 LYS CA C 55.521 0.2 1 1240 253 259 LYS CB C 32.122 0.2 1 1241 253 259 LYS N N 120.527 0.1 1 1242 254 260 PHE H H 8.298 0.02 1 1243 254 260 PHE C C 175.524 0.2 1 1244 254 260 PHE CA C 56.923 0.2 1 1245 254 260 PHE CB C 39.228 0.2 1 1246 254 260 PHE N N 124.691 0.1 1 1247 255 261 ASN H H 8.460 0.02 1 1248 255 261 ASN HD21 H 7.573 0.02 2 1249 255 261 ASN HD22 H 6.902 0.02 2 1250 255 261 ASN C C 174.592 0.2 1 1251 255 261 ASN CA C 53.258 0.2 1 1252 255 261 ASN CB C 38.938 0.2 1 1253 255 261 ASN N N 121.172 0.1 1 1254 255 261 ASN ND2 N 113.717 0.1 1 1255 256 262 ASP H H 8.254 0.02 1 1256 256 262 ASP C C 175.971 0.2 1 1257 256 262 ASP CA C 54.097 0.2 1 1258 256 262 ASP CB C 40.631 0.2 1 1259 256 262 ASP N N 121.879 0.1 1 1260 257 263 GLU H H 8.165 0.02 1 1261 257 263 GLU C C 175.646 0.2 1 1262 257 263 GLU CA C 56.172 0.2 1 1263 257 263 GLU CB C 30.184 0.2 1 1264 257 263 GLU N N 121.424 0.1 1 1265 258 264 GLU H H 7.896 0.02 1 1266 258 264 GLU C C 181.222 0.2 1 1267 258 264 GLU CA C 57.769 0.2 1 1268 258 264 GLU CB C 30.131 0.2 1 1269 258 264 GLU N N 127.537 0.1 1 stop_ save_