data_17375 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of Human Proliferating Cell Nuclear Antigen Complexed with a 20 Amino Acids Peptide from the C-terminal Region of p21 (WAF1/CIP1) ; _BMRB_accession_number 17375 _BMRB_flat_file_name bmr17375.str _Entry_type original _Submission_date 2010-12-22 _Accession_date 2010-12-22 _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 Lopez-Alonso Jorge P. . 2 Sanchez Ricardo . . 3 Blanco Francisco J. . 4 Campos-Olivas Ramon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 277 "15N chemical shifts" 261 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17376 'hPCNA trimer Complexed with a 12 Amino Acids Peptide' 15501 'human PCNA trimer' stop_ _Original_release_date 2012-11-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Proliferating Cell Nuclear Antigen (PCNA) Interactions in Solution Studied by NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23139781 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Biasio' Alfredo . . 2 Campos-Olivas Ramon . . 3 Sanchez Ricardo . . 4 Lopez-Alonso Jorge P. . 5 Pantoja-Uceda David . . 6 Merino Nekane . . 7 Villate Maider . . 8 Martin-Garcia Jose M. . 9 Castillo Francisco . . 10 Luque Irene . . 11 Blanco Francisco J. . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 7 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e48390 _Page_last e48390 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hPCNA trimer complexed with C-terminal region of p21' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hPCNA monomer 1' $hPCNA 'hPCNA monomer 2' $hPCNA 'hPCNA monomer 3' $hPCNA 'P2120 molecule 1' $p2120 'P2120 molecule 2' $p2120 'P2120 molecule 3' $p2120 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_hPCNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hPCNA _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 264 _Mol_residue_sequence ; GPHMFEARLVQGSILKKVLE ALKDLINEACWDISSSGVNL QSMDSSHVSLVQLTLRSEGF DTYRCDRNLAMGVNLTSMSK ILKCAGNEDIITLRAEDNAD TLALVFEAPNQEKVSDYEMK LMDLDVEQLGIPEQEYSCVV KMPSGEFARICRDLSHIGDA VVISCAKDGVKFSASGELGN GNIKLSQTSNVDKEEEAVTI EMNEPVQLTFALRYLNFFTK ATPLSSTVTLSMSADVPLVV EYKIADMGHLKYYLAPKIED EEGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 PRO 3 -1 HIS 4 1 MET 5 2 PHE 6 3 GLU 7 4 ALA 8 5 ARG 9 6 LEU 10 7 VAL 11 8 GLN 12 9 GLY 13 10 SER 14 11 ILE 15 12 LEU 16 13 LYS 17 14 LYS 18 15 VAL 19 16 LEU 20 17 GLU 21 18 ALA 22 19 LEU 23 20 LYS 24 21 ASP 25 22 LEU 26 23 ILE 27 24 ASN 28 25 GLU 29 26 ALA 30 27 CYS 31 28 TRP 32 29 ASP 33 30 ILE 34 31 SER 35 32 SER 36 33 SER 37 34 GLY 38 35 VAL 39 36 ASN 40 37 LEU 41 38 GLN 42 39 SER 43 40 MET 44 41 ASP 45 42 SER 46 43 SER 47 44 HIS 48 45 VAL 49 46 SER 50 47 LEU 51 48 VAL 52 49 GLN 53 50 LEU 54 51 THR 55 52 LEU 56 53 ARG 57 54 SER 58 55 GLU 59 56 GLY 60 57 PHE 61 58 ASP 62 59 THR 63 60 TYR 64 61 ARG 65 62 CYS 66 63 ASP 67 64 ARG 68 65 ASN 69 66 LEU 70 67 ALA 71 68 MET 72 69 GLY 73 70 VAL 74 71 ASN 75 72 LEU 76 73 THR 77 74 SER 78 75 MET 79 76 SER 80 77 LYS 81 78 ILE 82 79 LEU 83 80 LYS 84 81 CYS 85 82 ALA 86 83 GLY 87 84 ASN 88 85 GLU 89 86 ASP 90 87 ILE 91 88 ILE 92 89 THR 93 90 LEU 94 91 ARG 95 92 ALA 96 93 GLU 97 94 ASP 98 95 ASN 99 96 ALA 100 97 ASP 101 98 THR 102 99 LEU 103 100 ALA 104 101 LEU 105 102 VAL 106 103 PHE 107 104 GLU 108 105 ALA 109 106 PRO 110 107 ASN 111 108 GLN 112 109 GLU 113 110 LYS 114 111 VAL 115 112 SER 116 113 ASP 117 114 TYR 118 115 GLU 119 116 MET 120 117 LYS 121 118 LEU 122 119 MET 123 120 ASP 124 121 LEU 125 122 ASP 126 123 VAL 127 124 GLU 128 125 GLN 129 126 LEU 130 127 GLY 131 128 ILE 132 129 PRO 133 130 GLU 134 131 GLN 135 132 GLU 136 133 TYR 137 134 SER 138 135 CYS 139 136 VAL 140 137 VAL 141 138 LYS 142 139 MET 143 140 PRO 144 141 SER 145 142 GLY 146 143 GLU 147 144 PHE 148 145 ALA 149 146 ARG 150 147 ILE 151 148 CYS 152 149 ARG 153 150 ASP 154 151 LEU 155 152 SER 156 153 HIS 157 154 ILE 158 155 GLY 159 156 ASP 160 157 ALA 161 158 VAL 162 159 VAL 163 160 ILE 164 161 SER 165 162 CYS 166 163 ALA 167 164 LYS 168 165 ASP 169 166 GLY 170 167 VAL 171 168 LYS 172 169 PHE 173 170 SER 174 171 ALA 175 172 SER 176 173 GLY 177 174 GLU 178 175 LEU 179 176 GLY 180 177 ASN 181 178 GLY 182 179 ASN 183 180 ILE 184 181 LYS 185 182 LEU 186 183 SER 187 184 GLN 188 185 THR 189 186 SER 190 187 ASN 191 188 VAL 192 189 ASP 193 190 LYS 194 191 GLU 195 192 GLU 196 193 GLU 197 194 ALA 198 195 VAL 199 196 THR 200 197 ILE 201 198 GLU 202 199 MET 203 200 ASN 204 201 GLU 205 202 PRO 206 203 VAL 207 204 GLN 208 205 LEU 209 206 THR 210 207 PHE 211 208 ALA 212 209 LEU 213 210 ARG 214 211 TYR 215 212 LEU 216 213 ASN 217 214 PHE 218 215 PHE 219 216 THR 220 217 LYS 221 218 ALA 222 219 THR 223 220 PRO 224 221 LEU 225 222 SER 226 223 SER 227 224 THR 228 225 VAL 229 226 THR 230 227 LEU 231 228 SER 232 229 MET 233 230 SER 234 231 ALA 235 232 ASP 236 233 VAL 237 234 PRO 238 235 LEU 239 236 VAL 240 237 VAL 241 238 GLU 242 239 TYR 243 240 LYS 244 241 ILE 245 242 ALA 246 243 ASP 247 244 MET 248 245 GLY 249 246 HIS 250 247 LEU 251 248 LYS 252 249 TYR 253 250 TYR 254 251 LEU 255 252 ALA 256 253 PRO 257 254 LYS 258 255 ILE 259 256 GLU 260 257 ASP 261 258 GLU 262 259 GLU 263 260 GLY 264 261 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 BMRB 15501 human_PCNA 100.00 264 100.00 100.00 0.00e+00 BMRB 17376 hPCNA 100.00 264 100.00 100.00 0.00e+00 PDB 1AXC "Human Pcna" 98.86 261 100.00 100.00 0.00e+00 PDB 1U76 "Crystal Structure Of Hpcna Bound To Residues 452-466 Of The Dna Polymerase-Delta-P66 Subunit" 98.86 261 100.00 100.00 0.00e+00 PDB 1U7B "Crystal Structure Of Hpcna Bound To Residues 331-350 Of The Flap Endonuclease-1 (Fen1)" 98.86 261 100.00 100.00 0.00e+00 PDB 1UL1 "Crystal Structure Of The Human Fen1-Pcna Complex" 98.86 261 100.00 100.00 0.00e+00 PDB 1VYJ "Structural And Biochemical Studies Of Human Pcna Complexes Provide The Basis For Association With CdkCYCLIN AND Rationale For I" 98.86 261 100.00 100.00 0.00e+00 PDB 1VYM "Native Human Pcna" 98.86 261 100.00 100.00 0.00e+00 PDB 1W60 "Native Human Pcna" 98.86 261 100.00 100.00 0.00e+00 PDB 2ZVK "Crystal Structure Of Pcna In Complex With Dna Polymerase Eta Fragment" 98.86 261 100.00 100.00 0.00e+00 PDB 2ZVL "Crystal Structure Of Pcna In Complex With Dna Polymerase Kappa Fragment" 98.86 261 100.00 100.00 0.00e+00 PDB 2ZVM "Crystal Structure Of Pcna In Complex With Dna Polymerase Iota Fragment" 98.86 261 100.00 100.00 0.00e+00 PDB 3P87 "Structure Of Human Pcna Bound To Rnaseh2b Pip Box Peptide" 98.86 261 100.00 100.00 0.00e+00 PDB 3TBL "Structure Of Mono-ubiquitinated Pcna: Implications For Dna Polymerase Switching And Okazaki Fragment Maturation" 98.86 261 100.00 100.00 0.00e+00 PDB 3VKX "Structure Of Pcna" 98.86 261 100.00 100.00 0.00e+00 PDB 3WGW "Structure Of Pcna Bound To A Small Molecule Inhibitor" 98.86 261 100.00 100.00 0.00e+00 PDB 4D2G "Crystal Structure Of Human Pcna In Complex With P15 Peptide" 100.00 264 100.00 100.00 0.00e+00 PDB 4RJF "Crystal Structure Of The Human Sliding Clamp At 2.0 Angstrom Resolution" 98.86 261 100.00 100.00 0.00e+00 DBJ BAB28355 "unnamed protein product [Mus musculus]" 98.48 261 96.92 98.46 0.00e+00 DBJ BAB28557 "unnamed protein product [Mus musculus]" 98.86 261 96.93 98.47 0.00e+00 DBJ BAC40240 "unnamed protein product [Mus musculus]" 98.86 261 96.93 98.47 0.00e+00 DBJ BAE30230 "unnamed protein product [Mus musculus]" 98.86 261 96.93 98.47 0.00e+00 DBJ BAE30376 "unnamed protein product [Mus musculus]" 98.86 261 96.93 98.47 0.00e+00 EMBL CAA40938 "proliferating cell nuclear antigen (DNA polymerase delta auxiliary protein) [Mus musculus]" 98.86 261 96.93 98.47 0.00e+00 EMBL CAA68261 "unnamed protein product [Rattus norvegicus]" 98.86 261 98.47 99.23 0.00e+00 EMBL CAG38740 "PCNA [Homo sapiens]" 98.86 261 99.62 99.62 0.00e+00 EMBL CAG46598 "PCNA [Homo sapiens]" 98.86 261 99.23 99.23 0.00e+00 GB AAA35736 "cyclin [Homo sapiens]" 98.86 261 100.00 100.00 0.00e+00 GB AAA60040 "proliferating cell nuclear antigen (PCNA), partial [Homo sapiens]" 98.86 261 100.00 100.00 0.00e+00 GB AAG10077 "proliferating cell nuclear antigen [Cricetulus griseus]" 98.86 261 98.47 98.85 0.00e+00 GB AAG37435 "proliferating cell nuclear antigen [Neovison vison]" 63.26 167 99.40 99.40 2.42e-115 GB AAH00491 "Proliferating cell nuclear antigen [Homo sapiens]" 98.86 261 100.00 100.00 0.00e+00 REF NP_001029666 "proliferating cell nuclear antigen [Bos taurus]" 98.86 261 99.23 99.23 0.00e+00 REF NP_001233697 "proliferating cell nuclear antigen [Cricetulus griseus]" 98.86 261 98.47 98.85 0.00e+00 REF NP_001253019 "proliferating cell nuclear antigen [Macaca mulatta]" 98.86 261 100.00 100.00 0.00e+00 REF NP_001274649 "proliferating cell nuclear antigen [Macaca fascicularis]" 98.86 261 100.00 100.00 0.00e+00 REF NP_001278854 "proliferating cell nuclear antigen [Sus scrofa]" 98.86 261 99.62 99.62 0.00e+00 SP P04961 "RecName: Full=Proliferating cell nuclear antigen; Short=PCNA; AltName: Full=Cyclin" 98.86 261 98.47 99.23 0.00e+00 SP P12004 "RecName: Full=Proliferating cell nuclear antigen; Short=PCNA; AltName: Full=Cyclin" 98.86 261 100.00 100.00 0.00e+00 SP P17918 "RecName: Full=Proliferating cell nuclear antigen; Short=PCNA; AltName: Full=Cyclin" 98.86 261 96.93 98.47 0.00e+00 SP P57761 "RecName: Full=Proliferating cell nuclear antigen; Short=PCNA" 98.86 261 98.47 98.85 0.00e+00 SP P61258 "RecName: Full=Proliferating cell nuclear antigen; Short=PCNA" 98.86 261 100.00 100.00 0.00e+00 TPG DAA23435 "TPA: proliferating cell nuclear antigen [Bos taurus]" 98.86 261 99.23 99.23 0.00e+00 stop_ save_ save_p2120 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p2120 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 20 _Mol_residue_sequence KRRQTSMTDFYHSKRRLIFS loop_ _Residue_seq_code _Residue_label 1 LYS 2 ARG 3 ARG 4 GLN 5 THR 6 SER 7 MET 8 THR 9 ASP 10 PHE 11 TYR 12 HIS 13 SER 14 LYS 15 ARG 16 ARG 17 LEU 18 ILE 19 PHE 20 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 1AXC "Human Pcna" 100.00 22 100.00 100.00 5.53e-04 PDB 2ZVV "Crystal Structure Of Proliferating Cellular Nuclear Antigen 1 And Short Peptide From Human P21" 100.00 22 100.00 100.00 5.53e-04 PDB 2ZVW "Crystal Structure Of Proliferating Cell Nuclear Antigen 2 And Short Peptide From Human P21" 100.00 22 100.00 100.00 5.53e-04 DBJ BAA23168 "p21/WAF1 [Felis catus]" 100.00 164 100.00 100.00 1.15e-03 DBJ BAD93118 "Cyclin-dependent kinase variant [Homo sapiens]" 100.00 191 100.00 100.00 9.71e-04 DBJ BAE88691 "unnamed protein product [Macaca fascicularis]" 100.00 164 100.00 100.00 4.13e-04 DBJ BAG10980 "cyclin-dependent kinase inhibitor 1 [synthetic construct]" 100.00 164 100.00 100.00 4.73e-04 DBJ BAG61011 "unnamed protein product [Homo sapiens]" 100.00 198 100.00 100.00 6.40e-04 EMBL CAG38770 "CDKN1A [Homo sapiens]" 100.00 164 100.00 100.00 3.35e-04 EMBL CAH25729 "putative cyclin-dependent kinase inhibitor 1A (p21/WAF1/CIP1) [Canis lupus familiaris]" 100.00 132 100.00 100.00 2.97e-04 EMBL CAL37589 "hypothetical protein [synthetic construct]" 100.00 164 100.00 100.00 3.35e-04 EMBL CAL37798 "hypothetical protein [synthetic construct]" 100.00 164 100.00 100.00 4.73e-04 GB AAA16109 "cyclin-dependent kinase inhibitor [Homo sapiens]" 100.00 164 100.00 100.00 3.35e-04 GB AAA19811 "putative DNA synthesis inhibitor [Homo sapiens]" 100.00 164 100.00 100.00 3.35e-04 GB AAA85641 "alternate gene name=WAF1 [Homo sapiens]" 100.00 164 100.00 100.00 3.35e-04 GB AAB29246 "p21 [Homo sapiens]" 100.00 164 100.00 100.00 3.35e-04 GB AAB59559 "cyclin-dependent kinase, partial [Homo sapiens]" 100.00 181 100.00 100.00 1.35e-03 PIR S39358 "cyclin kinase inhibitor - human (fragments)" 90.00 47 100.00 100.00 3.17e-03 PRF 2002363A "cyclin kinase inhibitor p21" 100.00 164 100.00 100.00 3.35e-04 REF NP_000380 "cyclin-dependent kinase inhibitor 1 isoform 1 [Homo sapiens]" 100.00 164 100.00 100.00 3.35e-04 REF NP_001009865 "cyclin-dependent kinase inhibitor 1 [Felis catus]" 100.00 164 100.00 100.00 1.15e-03 REF NP_001181651 "cyclin-dependent kinase inhibitor 1 [Macaca mulatta]" 100.00 164 100.00 100.00 4.13e-04 REF NP_001207706 "cyclin-dependent kinase inhibitor 1 isoform 1 [Homo sapiens]" 100.00 164 100.00 100.00 3.35e-04 REF NP_001207707 "cyclin-dependent kinase inhibitor 1 isoform 1 [Homo sapiens]" 100.00 164 100.00 100.00 3.35e-04 SP O19002 "RecName: Full=Cyclin-dependent kinase inhibitor 1; AltName: Full=CDK-interacting protein 1; AltName: Full=p21 [Felis catus]" 100.00 164 100.00 100.00 1.15e-03 SP P38936 "RecName: Full=Cyclin-dependent kinase inhibitor 1; AltName: Full=CDK-interacting protein 1; AltName: Full=Melanoma differentiat" 100.00 164 100.00 100.00 3.35e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hPCNA Human 9606 Eukaryota Metazoa Homo sapiens $p2120 Human 9606 Eukaryota Metazoa Homo sapiens 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 $hPCNA 'recombinant technology' . . . . 'Rosetta BL21 (DE3)' $p2120 'chemical synthesis' . . . . . 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 $hPCNA 0.5 mM '[U-13C; U-15N]' $p2120 0.6 mM 'natural abundance' 'sodium chloride' 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'potassium phosphate' 2 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.20 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 308 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 0.327 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 'hPCNA 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 -1 3 HIS H H 8.170 0.04 1 2 -1 3 HIS N N 119.681 0.05 1 3 1 4 MET H H 8.612 0.04 1 4 1 4 MET N N 122.611 0.05 1 5 2 5 PHE H H 8.018 0.04 1 6 2 5 PHE N N 120.914 0.05 1 7 3 6 GLU H H 8.097 0.04 1 8 3 6 GLU N N 127.454 0.05 1 9 4 7 ALA H H 8.357 0.04 1 10 4 7 ALA N N 129.097 0.05 1 11 5 8 ARG H H 8.601 0.04 1 12 5 8 ARG N N 124.782 0.05 1 13 6 9 LEU H H 9.656 0.04 1 14 6 9 LEU N N 130.723 0.05 1 15 7 10 VAL H H 8.911 0.04 1 16 7 10 VAL N N 126.866 0.05 1 17 8 11 GLN H H 7.922 0.04 1 18 8 11 GLN HE21 H 7.379 0.04 2 19 8 11 GLN HE22 H 6.761 0.04 2 20 8 11 GLN N N 119.215 0.05 1 21 8 11 GLN NE2 N 112.335 0.05 1 22 9 12 GLY H H 8.056 0.04 1 23 9 12 GLY N N 111.749 0.05 1 24 10 13 SER H H 8.349 0.04 1 25 10 13 SER N N 114.640 0.05 1 26 11 14 ILE H H 7.811 0.04 1 27 11 14 ILE N N 122.087 0.05 1 28 12 15 LEU H H 7.195 0.04 1 29 12 15 LEU N N 118.018 0.05 1 30 13 16 LYS H H 7.124 0.04 1 31 13 16 LYS N N 117.233 0.05 1 32 14 17 LYS H H 7.921 0.04 1 33 14 17 LYS N N 117.743 0.05 1 34 15 18 VAL H H 8.290 0.04 1 35 15 18 VAL N N 120.988 0.05 1 36 16 19 LEU H H 7.802 0.04 1 37 16 19 LEU N N 120.964 0.05 1 38 17 20 GLU H H 7.821 0.04 1 39 17 20 GLU N N 118.419 0.05 1 40 18 21 ALA H H 7.418 0.04 1 41 18 21 ALA N N 119.452 0.05 1 42 19 22 LEU H H 7.604 0.04 1 43 19 22 LEU N N 119.048 0.05 1 44 20 23 LYS H H 7.628 0.04 1 45 20 23 LYS N N 116.006 0.05 1 46 21 24 ASP H H 8.671 0.04 1 47 21 24 ASP N N 119.976 0.05 1 48 22 25 LEU H H 7.453 0.04 1 49 22 25 LEU N N 120.655 0.05 1 50 23 26 ILE H H 7.870 0.04 1 51 23 26 ILE N N 115.240 0.05 1 52 24 27 ASN H H 8.403 0.04 1 53 24 27 ASN HD21 H 7.604 0.04 2 54 24 27 ASN HD22 H 6.830 0.04 2 55 24 27 ASN N N 118.713 0.05 1 56 24 27 ASN ND2 N 113.814 0.05 1 57 25 28 GLU H H 7.643 0.04 1 58 25 28 GLU N N 117.444 0.05 1 59 26 29 ALA H H 8.633 0.04 1 60 26 29 ALA N N 120.981 0.05 1 61 27 30 CYS H H 8.887 0.04 1 62 27 30 CYS N N 120.410 0.05 1 63 28 31 TRP H H 9.602 0.04 1 64 28 31 TRP HE1 H 9.667 0.04 1 65 28 31 TRP N N 131.308 0.05 1 66 28 31 TRP NE1 N 130.620 0.05 1 67 29 32 ASP H H 9.164 0.04 1 68 29 32 ASP N N 126.826 0.05 1 69 30 33 ILE H H 9.058 0.04 1 70 30 33 ILE N N 128.224 0.05 1 71 31 34 SER H H 8.781 0.04 5 72 31 34 SER N N 121.738 0.05 5 73 34 37 GLY H H 7.617 0.04 1 74 34 37 GLY N N 111.711 0.05 1 75 35 38 VAL H H 8.817 0.04 1 76 35 38 VAL N N 119.975 0.05 1 77 36 39 ASN H H 9.007 0.04 5 78 36 39 ASN HD21 H 7.556 0.04 2 79 36 39 ASN HD22 H 6.619 0.04 2 80 36 39 ASN N N 125.606 0.05 5 81 36 39 ASN ND2 N 114.835 0.05 1 82 37 40 LEU H H 8.556 0.04 1 83 37 40 LEU N N 123.402 0.05 1 84 38 41 GLN H H 8.849 0.04 1 85 38 41 GLN HE21 H 7.381 0.04 2 86 38 41 GLN HE22 H 6.761 0.04 2 87 38 41 GLN N N 126.517 0.05 1 88 38 41 GLN NE2 N 111.816 0.05 1 89 39 42 SER H H 8.353 0.04 5 90 39 42 SER N N 118.223 0.05 5 91 40 43 MET H H 8.968 0.04 5 92 40 43 MET N N 125.904 0.05 5 93 41 44 ASP H H 8.216 0.04 1 94 41 44 ASP N N 120.503 0.05 1 95 42 45 SER H H 9.382 0.04 5 96 42 45 SER N N 118.766 0.05 5 97 43 46 SER H H 8.299 0.04 5 98 43 46 SER N N 119.862 0.05 5 99 44 47 HIS H H 8.870 0.04 5 100 44 47 HIS N N 121.983 0.05 5 101 45 48 VAL H H 8.248 0.04 5 102 45 48 VAL N N 125.262 0.05 5 103 46 49 SER H H 8.666 0.04 1 104 46 49 SER N N 115.587 0.05 1 105 47 50 LEU H H 8.516 0.04 1 106 47 50 LEU N N 122.047 0.05 1 107 48 51 VAL H H 9.036 0.04 5 108 48 51 VAL N N 124.163 0.05 5 109 49 52 GLN H H 9.096 0.04 1 110 49 52 GLN HE21 H 7.037 0.04 2 111 49 52 GLN HE22 H 6.936 0.04 2 112 49 52 GLN N N 125.639 0.05 1 113 49 52 GLN NE2 N 114.293 0.05 1 114 50 53 LEU H H 9.264 0.04 1 115 50 53 LEU N N 129.779 0.05 1 116 51 54 THR H H 8.321 0.04 1 117 51 54 THR N N 123.241 0.05 1 118 52 55 LEU H H 8.733 0.04 1 119 52 55 LEU N N 125.017 0.05 1 120 53 56 ARG H H 9.038 0.04 1 121 53 56 ARG N N 123.962 0.05 1 122 54 57 SER H H 8.042 0.04 1 123 54 57 SER N N 118.916 0.05 1 124 55 58 GLU H H 8.884 0.04 1 125 55 58 GLU N N 120.150 0.05 1 126 56 59 GLY H H 8.034 0.04 1 127 56 59 GLY N N 105.989 0.05 1 128 57 60 PHE H H 7.554 0.04 1 129 57 60 PHE N N 118.884 0.05 1 130 58 61 ASP H H 8.681 0.04 1 131 58 61 ASP N N 124.397 0.05 1 132 59 62 THR H H 7.664 0.04 1 133 59 62 THR N N 109.203 0.05 1 134 60 63 TYR H H 8.630 0.04 1 135 60 63 TYR N N 126.147 0.05 1 136 61 64 ARG H H 8.419 0.04 1 137 61 64 ARG N N 130.951 0.05 1 138 62 65 CYS H H 8.941 0.04 1 139 62 65 CYS N N 126.088 0.05 1 140 63 66 ASP H H 8.772 0.04 1 141 63 66 ASP N N 128.846 0.05 1 142 64 67 ARG H H 7.697 0.04 1 143 64 67 ARG N N 117.199 0.05 1 144 65 68 ASN H H 8.094 0.04 5 145 65 68 ASN HD21 H 7.342 0.04 2 146 65 68 ASN HD22 H 6.882 0.04 2 147 65 68 ASN N N 119.981 0.05 5 148 65 68 ASN ND2 N 112.493 0.05 1 149 66 69 LEU H H 8.599 0.04 1 150 66 69 LEU N N 123.260 0.05 1 151 67 70 ALA H H 8.309 0.04 1 152 67 70 ALA N N 127.509 0.05 1 153 68 71 MET H H 8.806 0.04 5 154 68 71 MET N N 121.636 0.05 5 155 69 72 GLY H H 9.357 0.04 1 156 69 72 GLY N N 115.684 0.05 1 157 70 73 VAL H H 8.679 0.04 1 158 70 73 VAL N N 123.090 0.05 1 159 71 74 ASN H H 8.538 0.04 1 160 71 74 ASN N N 123.697 0.05 1 161 72 75 LEU H H 8.844 0.04 1 162 72 75 LEU N N 127.981 0.05 1 163 73 76 THR H H 8.154 0.04 5 164 73 76 THR N N 119.467 0.05 5 165 75 78 MET H H 8.157 0.04 1 166 75 78 MET N N 120.429 0.05 1 167 76 79 SER H H 8.385 0.04 1 168 76 79 SER N N 113.669 0.05 1 169 77 80 LYS H H 7.450 0.04 1 170 77 80 LYS N N 121.591 0.05 1 171 78 81 ILE H H 7.207 0.04 1 172 78 81 ILE N N 117.050 0.05 1 173 79 82 LEU H H 8.096 0.04 1 174 79 82 LEU N N 119.624 0.05 1 175 80 83 LYS H H 7.502 0.04 1 176 80 83 LYS N N 119.508 0.05 1 177 81 84 CYS H H 7.572 0.04 1 178 81 84 CYS N N 116.402 0.05 1 179 82 85 ALA H H 7.039 0.04 1 180 82 85 ALA N N 124.345 0.05 1 181 83 86 GLY H H 9.016 0.04 1 182 83 86 GLY N N 113.268 0.05 1 183 85 88 GLU H H 8.595 0.04 1 184 85 88 GLU N N 117.150 0.05 1 185 86 89 ASP H H 6.867 0.04 1 186 86 89 ASP N N 121.540 0.05 1 187 87 90 ILE H H 8.524 0.04 1 188 87 90 ILE N N 122.029 0.05 1 189 88 91 ILE H H 8.618 0.04 1 190 88 91 ILE N N 128.597 0.05 1 191 89 92 THR H H 9.458 0.04 1 192 89 92 THR N N 125.380 0.05 1 193 90 93 LEU H H 8.901 0.04 1 194 90 93 LEU N N 126.120 0.05 1 195 91 94 ARG H H 8.829 0.04 1 196 91 94 ARG N N 120.194 0.05 1 197 92 95 ALA H H 8.713 0.04 1 198 92 95 ALA N N 124.103 0.05 1 199 93 96 GLU H H 8.839 0.04 1 200 93 96 GLU N N 122.135 0.05 1 201 94 97 ASP H H 8.460 0.04 1 202 94 97 ASP N N 120.988 0.05 1 203 95 98 ASN H H 8.431 0.04 1 204 95 98 ASN HD21 H 7.484 0.04 2 205 95 98 ASN HD22 H 6.709 0.04 2 206 95 98 ASN N N 118.520 0.05 1 207 95 98 ASN ND2 N 113.810 0.05 1 208 96 99 ALA H H 7.610 0.04 1 209 96 99 ALA N N 121.011 0.05 1 210 97 100 ASP H H 8.432 0.04 5 211 97 100 ASP N N 118.174 0.05 5 212 98 101 THR H H 7.255 0.04 1 213 98 101 THR N N 109.640 0.05 1 214 99 102 LEU H H 8.601 0.04 1 215 99 102 LEU N N 123.773 0.05 1 216 100 103 ALA H H 8.855 0.04 1 217 100 103 ALA N N 129.443 0.05 1 218 101 104 LEU H H 8.731 0.04 1 219 101 104 LEU N N 121.112 0.05 1 220 102 105 VAL H H 8.957 0.04 1 221 102 105 VAL N N 122.972 0.05 1 222 103 106 PHE H H 9.297 0.04 1 223 103 106 PHE N N 127.277 0.05 1 224 104 107 GLU H H 9.477 0.04 1 225 104 107 GLU N N 126.890 0.05 1 226 105 108 ALA H H 7.775 0.04 1 227 105 108 ALA N N 128.249 0.05 1 228 107 110 ASN H H 8.211 0.04 1 229 107 110 ASN N N 114.464 0.05 1 230 108 111 GLN H H 7.975 0.04 1 231 108 111 GLN HE22 H 6.797 0.04 2 232 108 111 GLN N N 114.312 0.05 1 233 108 111 GLN NE2 N 112.649 0.05 1 234 109 112 GLU H H 8.684 0.04 1 235 109 112 GLU N N 120.669 0.05 1 236 110 113 LYS H H 7.298 0.04 1 237 110 113 LYS N N 121.956 0.05 1 238 111 114 VAL H H 8.494 0.04 1 239 111 114 VAL N N 126.363 0.05 1 240 112 115 SER H H 8.920 0.04 1 241 112 115 SER N N 123.688 0.05 1 242 113 116 ASP H H 9.087 0.04 1 243 113 116 ASP N N 123.677 0.05 1 244 114 117 TYR H H 9.122 0.04 1 245 114 117 TYR N N 121.191 0.05 1 246 115 118 GLU H H 8.762 0.04 1 247 115 118 GLU N N 122.269 0.05 1 248 116 119 MET H H 8.988 0.04 5 249 116 119 MET N N 123.091 0.05 5 250 117 120 LYS H H 8.219 0.04 1 251 117 120 LYS N N 124.980 0.05 1 252 118 121 LEU H H 7.985 0.04 5 253 118 121 LEU N N 124.537 0.05 5 254 119 122 MET H H 8.528 0.04 1 255 119 122 MET N N 117.901 0.05 1 256 121 124 LEU H H 8.161 0.04 5 257 121 124 LEU N N 122.175 0.05 5 258 122 125 ASP H H 8.543 0.04 5 259 122 125 ASP N N 124.539 0.05 5 260 123 126 VAL H H 8.256 0.04 5 261 123 126 VAL N N 124.284 0.05 5 262 124 127 GLU H H 8.695 0.04 5 263 124 127 GLU N N 126.135 0.05 5 264 125 128 GLN H H 9.204 0.04 5 265 125 128 GLN HE21 H 7.013 0.04 2 266 125 128 GLN HE22 H 6.703 0.04 2 267 125 128 GLN N N 124.294 0.05 5 268 125 128 GLN NE2 N 111.808 0.05 1 269 126 129 LEU H H 8.578 0.04 5 270 126 129 LEU N N 121.759 0.05 5 271 127 130 GLY H H 8.415 0.04 1 272 127 130 GLY N N 110.807 0.05 1 273 128 131 ILE H H 7.870 0.04 5 274 128 131 ILE N N 128.115 0.05 5 275 130 133 GLU H H 8.373 0.04 5 276 130 133 GLU N N 120.575 0.05 5 277 131 134 GLN H H 7.894 0.04 1 278 131 134 GLN HE21 H 6.846 0.04 2 279 131 134 GLN HE22 H 6.408 0.04 2 280 131 134 GLN N N 122.129 0.05 1 281 131 134 GLN NE2 N 110.328 0.05 1 282 132 135 GLU H H 8.041 0.04 1 283 132 135 GLU N N 121.152 0.05 1 284 133 136 TYR H H 8.537 0.04 5 285 133 136 TYR N N 123.599 0.05 5 286 134 137 SER H H 8.763 0.04 1 287 134 137 SER N N 119.902 0.05 1 288 135 138 CYS H H 8.806 0.04 1 289 135 138 CYS N N 119.007 0.05 1 290 136 139 VAL H H 8.684 0.04 1 291 136 139 VAL N N 125.674 0.05 1 292 137 140 VAL H H 9.429 0.04 1 293 137 140 VAL N N 130.010 0.05 1 294 138 141 LYS H H 8.871 0.04 1 295 138 141 LYS N N 129.253 0.05 1 296 139 142 MET H H 8.600 0.04 1 297 139 142 MET N N 119.360 0.05 1 298 141 144 SER H H 8.994 0.04 1 299 141 144 SER N N 124.855 0.05 1 300 142 145 GLY H H 9.362 0.04 1 301 142 145 GLY N N 113.341 0.05 1 302 143 146 GLU H H 6.907 0.04 1 303 143 146 GLU N N 122.177 0.05 1 304 144 147 PHE H H 7.424 0.04 1 305 144 147 PHE N N 119.633 0.05 1 306 145 148 ALA H H 7.836 0.04 1 307 145 148 ALA N N 118.628 0.05 1 308 146 149 ARG H H 7.592 0.04 1 309 146 149 ARG N N 119.985 0.05 1 310 147 150 ILE H H 7.896 0.04 1 311 147 150 ILE N N 120.112 0.05 1 312 148 151 CYS H H 7.101 0.04 1 313 148 151 CYS N N 114.543 0.05 1 314 149 152 ARG H H 7.529 0.04 1 315 149 152 ARG N N 121.549 0.05 1 316 150 153 ASP H H 8.927 0.04 1 317 150 153 ASP N N 124.004 0.05 1 318 151 154 LEU H H 8.113 0.04 1 319 151 154 LEU N N 115.563 0.05 1 320 152 155 SER H H 7.282 0.04 1 321 152 155 SER N N 114.873 0.05 1 322 153 156 HIS H H 7.468 0.04 1 323 153 156 HIS N N 118.854 0.05 1 324 154 157 ILE H H 7.627 0.04 1 325 154 157 ILE N N 117.114 0.05 1 326 155 158 GLY H H 7.604 0.04 1 327 155 158 GLY N N 104.174 0.05 1 328 156 159 ASP H H 8.149 0.04 1 329 156 159 ASP N N 114.117 0.05 1 330 157 160 ALA H H 7.962 0.04 1 331 157 160 ALA N N 125.490 0.05 1 332 158 161 VAL H H 9.436 0.04 1 333 158 161 VAL N N 120.672 0.05 1 334 159 162 VAL H H 9.424 0.04 1 335 159 162 VAL N N 129.156 0.05 1 336 160 163 ILE H H 9.617 0.04 1 337 160 163 ILE N N 130.837 0.05 1 338 161 164 SER H H 8.988 0.04 1 339 161 164 SER N N 120.917 0.05 1 340 162 165 CYS H H 8.675 0.04 1 341 162 165 CYS N N 125.001 0.05 1 342 163 166 ALA H H 8.401 0.04 1 343 163 166 ALA N N 130.022 0.05 1 344 165 168 ASP H H 8.138 0.04 1 345 165 168 ASP N N 112.337 0.05 1 346 166 169 GLY H H 7.489 0.04 1 347 166 169 GLY N N 108.421 0.05 1 348 167 170 VAL H H 8.531 0.04 1 349 167 170 VAL N N 119.542 0.05 1 350 168 171 LYS H H 8.739 0.04 1 351 168 171 LYS N N 128.798 0.05 1 352 169 172 PHE H H 9.337 0.04 1 353 169 172 PHE N N 124.089 0.05 1 354 170 173 SER H H 9.091 0.04 1 355 170 173 SER N N 118.502 0.05 1 356 171 174 ALA H H 8.973 0.04 1 357 171 174 ALA N N 124.368 0.05 1 358 172 175 SER H H 8.779 0.04 1 359 172 175 SER N N 115.686 0.05 1 360 173 176 GLY H H 8.440 0.04 1 361 173 176 GLY N N 112.136 0.05 1 362 175 178 LEU H H 8.633 0.04 1 363 175 178 LEU N N 116.092 0.05 1 364 176 179 GLY H H 7.411 0.04 1 365 176 179 GLY N N 106.213 0.05 1 366 177 180 ASN H H 8.427 0.04 1 367 177 180 ASN HD21 H 7.566 0.04 2 368 177 180 ASN HD22 H 6.913 0.04 2 369 177 180 ASN N N 116.831 0.05 1 370 177 180 ASN ND2 N 115.749 0.05 1 371 178 181 GLY H H 8.789 0.04 1 372 178 181 GLY N N 106.937 0.05 1 373 179 182 ASN H H 8.407 0.04 1 374 179 182 ASN HD21 H 7.788 0.04 2 375 179 182 ASN HD22 H 6.626 0.04 2 376 179 182 ASN N N 119.822 0.05 1 377 179 182 ASN ND2 N 118.359 0.05 1 378 180 183 ILE H H 9.508 0.04 1 379 180 183 ILE N N 123.985 0.05 1 380 181 184 LYS H H 8.976 0.04 1 381 181 184 LYS N N 128.293 0.05 1 382 182 185 LEU H H 9.077 0.04 1 383 182 185 LEU N N 127.511 0.05 1 384 183 186 SER H H 7.983 0.04 1 385 183 186 SER N N 118.330 0.05 1 386 184 187 GLN H H 8.130 0.04 1 387 184 187 GLN HE21 H 7.557 0.04 2 388 184 187 GLN HE22 H 6.731 0.04 2 389 184 187 GLN N N 121.366 0.05 1 390 184 187 GLN NE2 N 111.971 0.05 1 391 185 188 THR H H 8.776 0.04 1 392 185 188 THR N N 120.383 0.05 1 393 187 190 ASN HD21 H 7.519 0.04 2 394 187 190 ASN HD22 H 6.812 0.04 2 395 187 190 ASN ND2 N 113.774 0.05 1 396 188 191 VAL H H 7.949 0.04 1 397 188 191 VAL N N 119.824 0.05 1 398 189 192 ASP H H 8.376 0.04 1 399 189 192 ASP N N 123.609 0.05 1 400 190 193 LYS H H 7.645 0.04 1 401 190 193 LYS N N 119.827 0.05 1 402 191 194 GLU H H 8.659 0.04 1 403 191 194 GLU N N 125.542 0.05 1 404 192 195 GLU H H 9.068 0.04 1 405 192 195 GLU N N 117.416 0.05 1 406 193 196 GLU H H 7.735 0.04 1 407 193 196 GLU N N 118.238 0.05 1 408 194 197 ALA H H 7.311 0.04 1 409 194 197 ALA N N 123.028 0.05 1 410 195 198 VAL H H 8.415 0.04 1 411 195 198 VAL N N 122.061 0.05 1 412 196 199 THR H H 8.996 0.04 1 413 196 199 THR N N 120.351 0.05 1 414 197 200 ILE H H 8.531 0.04 1 415 197 200 ILE N N 125.050 0.05 1 416 198 201 GLU H H 8.887 0.04 1 417 198 201 GLU N N 130.030 0.05 1 418 199 202 MET H H 8.756 0.04 1 419 199 202 MET N N 125.982 0.05 1 420 200 203 ASN H H 9.053 0.04 1 421 200 203 ASN HD21 H 7.419 0.04 2 422 200 203 ASN HD22 H 6.979 0.04 2 423 200 203 ASN N N 123.489 0.05 1 424 200 203 ASN ND2 N 114.665 0.05 1 425 201 204 GLU H H 7.395 0.04 1 426 201 204 GLU N N 118.683 0.05 1 427 203 206 VAL H H 7.214 0.04 1 428 203 206 VAL N N 116.074 0.05 1 429 204 207 GLN H H 8.211 0.04 1 430 204 207 GLN HE21 H 7.342 0.04 2 431 204 207 GLN HE22 H 6.637 0.04 2 432 204 207 GLN N N 124.389 0.05 1 433 204 207 GLN NE2 N 112.525 0.05 1 434 205 208 LEU H H 8.698 0.04 1 435 205 208 LEU N N 128.451 0.05 1 436 206 209 THR H H 8.003 0.04 1 437 206 209 THR N N 116.420 0.05 1 438 207 210 PHE H H 9.092 0.04 1 439 207 210 PHE N N 121.062 0.05 1 440 208 211 ALA H H 9.459 0.04 1 441 208 211 ALA N N 124.261 0.05 1 442 209 212 LEU H H 8.097 0.04 1 443 209 212 LEU N N 127.102 0.05 1 444 211 214 TYR H H 6.314 0.04 1 445 211 214 TYR N N 113.027 0.05 1 446 212 215 LEU H H 6.429 0.04 1 447 212 215 LEU N N 117.703 0.05 1 448 213 216 ASN H H 7.510 0.04 1 449 213 216 ASN HD21 H 6.827 0.04 2 450 213 216 ASN HD22 H 6.133 0.04 2 451 213 216 ASN N N 112.131 0.05 1 452 213 216 ASN ND2 N 111.665 0.05 1 453 214 217 PHE H H 7.127 0.04 1 454 214 217 PHE N N 118.518 0.05 1 455 215 218 PHE H H 7.800 0.04 1 456 215 218 PHE N N 122.950 0.05 1 457 216 219 THR H H 7.651 0.04 1 458 216 219 THR N N 102.660 0.05 1 459 217 220 LYS H H 7.771 0.04 1 460 217 220 LYS N N 126.465 0.05 1 461 218 221 ALA H H 7.982 0.04 1 462 218 221 ALA N N 120.453 0.05 1 463 221 224 LEU H H 8.343 0.04 1 464 221 224 LEU N N 116.334 0.05 1 465 222 225 SER H H 7.406 0.04 1 466 222 225 SER N N 109.173 0.05 1 467 224 227 THR H H 7.946 0.04 1 468 224 227 THR N N 115.274 0.05 1 469 225 228 VAL H H 9.122 0.04 1 470 225 228 VAL N N 123.589 0.05 1 471 226 229 THR H H 7.577 0.04 1 472 226 229 THR N N 119.290 0.05 1 473 227 230 LEU H H 9.538 0.04 1 474 227 230 LEU N N 128.962 0.05 1 475 228 231 SER H H 8.652 0.04 1 476 228 231 SER N N 119.483 0.05 1 477 229 232 MET H H 8.862 0.04 1 478 229 232 MET N N 120.124 0.05 1 479 230 233 SER H H 9.445 0.04 1 480 230 233 SER N N 119.536 0.05 1 481 231 234 ALA H H 8.801 0.04 1 482 231 234 ALA N N 123.232 0.05 1 483 232 235 ASP H H 7.945 0.04 1 484 232 235 ASP N N 114.579 0.05 1 485 233 236 VAL H H 7.092 0.04 1 486 233 236 VAL N N 110.555 0.05 1 487 235 238 LEU H H 8.045 0.04 1 488 235 238 LEU N N 128.486 0.05 1 489 236 239 VAL H H 7.808 0.04 1 490 236 239 VAL N N 122.346 0.05 1 491 237 240 VAL H H 9.242 0.04 1 492 237 240 VAL N N 129.813 0.05 1 493 238 241 GLU H H 8.712 0.04 1 494 238 241 GLU N N 126.517 0.05 1 495 239 242 TYR H H 9.140 0.04 1 496 239 242 TYR N N 127.479 0.05 1 497 240 243 LYS H H 8.585 0.04 1 498 240 243 LYS N N 124.920 0.05 1 499 241 244 ILE H H 7.890 0.04 1 500 241 244 ILE N N 123.480 0.05 1 501 242 245 ALA H H 8.835 0.04 1 502 242 245 ALA N N 130.774 0.05 1 503 243 246 ASP H H 8.428 0.04 1 504 243 246 ASP N N 121.457 0.05 1 505 244 247 MET H H 8.602 0.04 1 506 244 247 MET N N 116.655 0.05 1 507 245 248 GLY H H 7.729 0.04 1 508 245 248 GLY N N 106.270 0.05 1 509 246 249 HIS H H 8.516 0.04 1 510 246 249 HIS N N 119.437 0.05 1 511 247 250 LEU H H 8.937 0.04 1 512 247 250 LEU N N 123.310 0.05 1 513 248 251 LYS H H 9.039 0.04 1 514 248 251 LYS N N 125.086 0.05 1 515 249 252 TYR H H 9.013 0.04 1 516 249 252 TYR N N 121.102 0.05 1 517 250 253 TYR H H 9.687 0.04 1 518 250 253 TYR N N 120.391 0.05 1 519 251 254 LEU H H 8.707 0.04 1 520 251 254 LEU N N 121.244 0.05 1 521 252 255 ALA H H 8.643 0.04 1 522 252 255 ALA N N 132.383 0.05 1 523 254 257 LYS H H 8.250 0.04 1 524 254 257 LYS N N 119.691 0.05 1 525 255 258 ILE H H 8.683 0.04 5 526 255 258 ILE N N 129.407 0.05 5 527 256 259 GLU H H 8.632 0.04 5 528 256 259 GLU N N 125.272 0.05 5 529 257 260 ASP H H 8.423 0.04 5 530 257 260 ASP N N 122.111 0.05 5 531 258 261 GLU H H 8.270 0.04 1 532 258 261 GLU N N 121.730 0.05 1 533 259 262 GLU H H 8.377 0.04 1 534 259 262 GLU N N 122.410 0.05 1 535 260 263 GLY H H 8.307 0.04 1 536 260 263 GLY N N 110.967 0.05 1 537 261 264 SER H H 7.779 0.04 1 538 261 264 SER N N 121.832 0.05 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 71 '99,153,269,529' '72,100,154,270,530' '77,91,101,107,248,252,258,260,262,264,284,527' '80,92,102,108,249,253,259,261,263,267,285,528' '89,95,97,144,210' '90,96,98,147,211' '163,256,275' '164,257,276' '273,525' '274,526' stop_ save_