data_4934 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and functionality of a designed p53 dimer ; _BMRB_accession_number 4934 _BMRB_flat_file_name bmr4934.str _Entry_type original _Submission_date 2000-12-21 _Accession_date 2000-12-21 _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 Davison T. S. . 2 Nie X. . . 3 Ma W. . . 4 Lin Y. . . 5 Kay C. . . 6 Benchimol S. . . 7 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 204 "13C chemical shifts" 95 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-01-23 original author . stop_ _Original_release_date 2001-01-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and functionality of a designed p53 dimer' _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davison T. S. . 2 Nie X. . . 3 Ma W. . . 4 Lin Y. . . 5 Kay C. . . 6 Benchimol S. . . 7 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'cell cycle arrest' oligomerization 'p53 dimer' 'transcriptional transactivation' stop_ save_ ################################## # Molecular system description # ################################## save_system_p53 _Saveframe_category molecular_system _Mol_system_name 'p53 dimer' _Abbreviation_common p53 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p53 subunit 1' $p53_monomer 'p53 subunit 2' $p53_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'p53 subunit 1' 1 'p53 subunit 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p53_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p53 _Abbreviation_common p53 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 33 _Mol_residue_sequence ; DGEYFTLQIRGRERFEQFRE RNEALELKDAQAG ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 GLY 3 GLU 4 TYR 5 PHE 6 THR 7 LEU 8 GLN 9 ILE 10 ARG 11 GLY 12 ARG 13 GLU 14 ARG 15 PHE 16 GLU 17 GLN 18 PHE 19 ARG 20 GLU 21 ARG 22 ASN 23 GLU 24 ALA 25 LEU 26 GLU 27 LEU 28 LYS 29 ASP 30 ALA 31 GLN 32 ALA 33 GLY 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 1HS5 "Nmr Solution Structure Of Designed P53 Dimer" 100.00 34 100.00 100.00 5.27e-13 PDB 3Q01 "An Induced Fit Mechanism Regulates P53 Dna Binding Kinetics To Confer Sequence Specificity" 100.00 233 100.00 100.00 9.77e-13 PDB 3Q05 "An Induced Fit Mechanism Regulates P53 Dna Binding Kinetics To Confer Sequence Specificity" 96.97 234 100.00 100.00 5.53e-12 PDB 3Q06 "An Induced Fit Mechanism Regulates P53 Dna Binding Kinetics To Confer Sequence Specificity" 93.94 231 100.00 100.00 2.61e-11 PDB 3TS8 "Crystal Structure Of A Multidomain Human P53 Tetramer Bound To The Natural Cdkn1a(P21) P53-Response Element" 96.97 234 100.00 100.00 5.53e-12 PDB 4MZR "Crystal Structure Of A Polypeptide P53 Mutant Bound To Dna" 96.97 237 100.00 100.00 1.28e-11 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p53_monomer human 9606 Eukaryota Metazoa Homo sapien 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 $p53_monomer 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $p53_monomer . mM 1.85 2.1 '[U-15N; U-13C]' D2O 10 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_(HB)CBCA(CO)NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CBCA(CO)NNH _Sample_label . save_ save_N15-NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name N15-NOESY-HSQC _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_CCC-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _Sample_label . save_ save_13C-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ save_15N_TOCSY_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY HSQC' _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CBCA(CO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name N15-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.125 0.01 M pH 7.0 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p53 subunit 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 ASP H H 8.29 .03 1 2 . 1 ASP HA H 4.62 .05 1 3 . 1 ASP HB2 H 2.72 .05 1 4 . 1 ASP HB3 H 2.72 .05 1 5 . 1 ASP CA C 54.1 .1 1 6 . 1 ASP CB C 41.1 .1 1 7 . 1 ASP N N 121.53 .06 1 8 . 2 GLY H H 8.23 .03 1 9 . 2 GLY HA2 H 3.85 .05 1 10 . 2 GLY HA3 H 3.97 .05 1 11 . 2 GLY CA C 44.8 .1 1 12 . 2 GLY N N 109.23 .06 1 13 . 3 GLU H H 8.03 .03 1 14 . 3 GLU HA H 4.25 .05 1 15 . 3 GLU HB2 H 1.89 .05 1 16 . 3 GLU HB3 H 1.89 .05 1 17 . 3 GLU HG2 H 2.01 .05 1 18 . 3 GLU HG3 H 2.18 .05 1 19 . 3 GLU CA C 55.8 .1 1 20 . 3 GLU CB C 30.6 .1 1 21 . 3 GLU CG C 36.1 .1 1 22 . 3 GLU N N 120.9 .06 1 23 . 4 TYR H H 7.93 .03 1 24 . 4 TYR HA H 5.09 .05 1 25 . 4 TYR HB2 H 2.65 .05 1 26 . 4 TYR HB3 H 2.65 .05 1 27 . 4 TYR HD1 H 6.9 .05 1 28 . 4 TYR HD2 H 6.9 .05 1 29 . 4 TYR HE1 H 6.79 .05 1 30 . 4 TYR HE2 H 6.79 .05 1 31 . 4 TYR CA C 56.9 .1 1 32 . 4 TYR CB C 40.7 .1 1 33 . 4 TYR N N 120.08 .06 1 34 . 5 PHE H H 9.29 .03 1 35 . 5 PHE HA H 4.41 .05 1 36 . 5 PHE HB2 H 1.9 .05 1 37 . 5 PHE HB3 H 2.1 .05 1 38 . 5 PHE HD1 H 6.79 .05 1 39 . 5 PHE HD2 H 6.79 .05 1 40 . 5 PHE HE1 H 7.04 .05 1 41 . 5 PHE HE2 H 7.04 .05 1 42 . 5 PHE HZ H 7.16 .05 1 43 . 5 PHE CA C 56.4 .1 1 44 . 5 PHE CB C 40.7 .1 1 45 . 5 PHE N N 121.58 .06 1 46 . 6 THR H H 8.45 .03 1 47 . 6 THR HA H 5.12 .05 1 48 . 6 THR HB H 3.97 .05 1 49 . 6 THR HG2 H 1.13 .05 1 50 . 6 THR CA C 61.1 .1 1 51 . 6 THR CB C 70.4 .1 1 52 . 6 THR CG2 C 22.4 .1 1 53 . 6 THR N N 115.19 .06 1 54 . 7 LEU H H 9.03 .03 1 55 . 7 LEU HA H 4.9 .05 1 56 . 7 LEU HB2 H 1.49 .05 1 57 . 7 LEU HB3 H 1.93 .05 1 58 . 7 LEU HG H 1.55 .05 1 59 . 7 LEU HD1 H 1.01 .05 1 60 . 7 LEU HD2 H 0.72 .05 1 61 . 7 LEU CA C 53.0 .1 1 62 . 7 LEU CB C 46.9 .1 1 63 . 7 LEU CG C 26.9 .1 1 64 . 7 LEU CD1 C 23.5 .1 1 65 . 7 LEU CD2 C 26.5 .1 1 66 . 7 LEU N N 127.18 .06 1 67 . 8 GLN H H 8.69 .03 1 68 . 8 GLN HA H 5.05 .05 1 69 . 8 GLN HB2 H 1.9 .05 1 70 . 8 GLN HB3 H 2.0 .05 1 71 . 8 GLN HG2 H 2.22 .05 1 72 . 8 GLN HG3 H 2.22 .05 1 73 . 8 GLN HE21 H 6.64 .03 2 74 . 8 GLN HE22 H 7.25 .03 2 75 . 8 GLN CA C 54.9 .1 1 76 . 8 GLN CB C 29.4 .1 1 77 . 8 GLN CG C 33.8 .1 1 78 . 8 GLN N N 125.61 .06 1 79 . 8 GLN NE2 N 111.61 .06 1 80 . 9 ILE H H 9.4 .03 1 81 . 9 ILE HA H 4.4 .05 1 82 . 9 ILE HB H 1.81 .05 1 83 . 9 ILE HG12 H 1.4 .05 1 84 . 9 ILE HG13 H 1.0 .05 1 85 . 9 ILE HG2 H 0.86 .05 1 86 . 9 ILE HD1 H 0.71 .05 1 87 . 9 ILE CA C 59.5 .1 1 88 . 9 ILE CB C 41.3 .1 1 89 . 9 ILE CG1 C 27.3 .1 1 90 . 9 ILE CG2 C 17.9 .1 1 91 . 9 ILE CD1 C 14.4 .1 1 92 . 9 ILE N N 126.93 .06 1 93 . 10 ARG H H 9.8 .03 1 94 . 10 ARG HA H 4.25 .05 1 95 . 10 ARG HB2 H 1.49 .05 1 96 . 10 ARG HB3 H 1.81 .05 1 97 . 10 ARG HG2 H 0.97 .05 1 98 . 10 ARG HG3 H 1.26 .05 1 99 . 10 ARG HD2 H 3.09 .05 1 100 . 10 ARG HD3 H 3.09 .05 1 101 . 10 ARG CA C 55.7 .1 1 102 . 10 ARG CB C 31.0 .1 1 103 . 10 ARG CG C 26.9 .1 1 104 . 10 ARG CD C 43.4 .1 1 105 . 10 ARG N N 130.77 .06 1 106 . 11 GLY H H 8.7 .03 1 107 . 11 GLY HA2 H 3.84 .05 1 108 . 11 GLY HA3 H 4.68 .05 1 109 . 11 GLY CA C 44.0 .1 1 110 . 11 GLY N N 115.27 .06 1 111 . 12 ARG H H 8.94 .03 1 112 . 12 ARG HA H 3.33 .05 1 113 . 12 ARG HB2 H 1.81 .05 1 114 . 12 ARG HB3 H 1.92 .05 1 115 . 12 ARG HG2 H 1.44 .05 1 116 . 12 ARG HG3 H 1.92 .05 1 117 . 12 ARG HD2 H 3.13 .05 1 118 . 12 ARG HD3 H 3.13 .05 1 119 . 12 ARG CA C 59.1 .1 1 120 . 12 ARG CB C 29.5 .1 1 121 . 12 ARG CG C 26.5 .1 1 122 . 12 ARG CD C 42.4 .1 1 123 . 12 ARG N N 126.76 .06 1 124 . 13 GLU H H 8.77 .03 1 125 . 13 GLU HA H 3.99 .05 1 126 . 13 GLU HB2 H 2.02 .05 1 127 . 13 GLU HB3 H 2.09 .05 1 128 . 13 GLU HG2 H 2.33 .05 1 129 . 13 GLU HG3 H 2.33 .05 1 130 . 13 GLU CA C 59.8 .1 1 131 . 13 GLU CB C 28.3 .1 1 132 . 13 GLU CG C 36.6 .1 1 133 . 13 GLU N N 119.19 .06 1 134 . 14 ARG H H 7.96 .03 1 135 . 14 ARG HA H 3.95 .05 1 136 . 14 ARG HB2 H 1.98 .05 1 137 . 14 ARG HB3 H 2.08 .05 1 138 . 14 ARG HG2 H 1.7 .05 1 139 . 14 ARG HG3 H 1.7 .05 1 140 . 14 ARG CA C 59.0 .1 1 141 . 14 ARG CB C 29.9 .1 1 142 . 14 ARG CG C 30.2 .1 1 143 . 14 ARG N N 122.22 .06 1 144 . 15 PHE H H 8.47 .03 1 145 . 15 PHE HA H 4.13 .05 1 146 . 15 PHE HB2 H 2.82 .05 1 147 . 15 PHE HB3 H 2.82 .05 1 148 . 15 PHE HD1 H 6.79 .05 1 149 . 15 PHE HD2 H 6.79 .05 1 150 . 15 PHE HE1 H 7.24 .05 1 151 . 15 PHE HE2 H 7.24 .05 1 152 . 15 PHE HZ H 7.43 .05 1 153 . 15 PHE CA C 61.5 .1 1 154 . 15 PHE CB C 38.5 .1 1 155 . 15 PHE N N 120.05 .06 1 156 . 16 GLU H H 8.68 .03 1 157 . 16 GLU HA H 3.6 .05 1 158 . 16 GLU HB2 H 2.02 .05 1 159 . 16 GLU HB3 H 2.02 .05 1 160 . 16 GLU HG2 H 2.33 .05 1 161 . 16 GLU HG3 H 2.48 .05 1 162 . 16 GLU CA C 58.9 .1 1 163 . 16 GLU CB C 28.5 .1 1 164 . 16 GLU CG C 36.1 .1 1 165 . 16 GLU N N 119.13 .06 1 166 . 17 GLN H H 7.78 .03 1 167 . 17 GLN HA H 4.13 .05 1 168 . 17 GLN HB2 H 2.07 .05 1 169 . 17 GLN HB3 H 2.28 .05 1 170 . 17 GLN HG2 H 2.29 .05 1 171 . 17 GLN HG3 H 2.59 .05 1 172 . 17 GLN HE21 H 6.63 .03 2 173 . 17 GLN HE22 H 7.42 .03 2 174 . 17 GLN CA C 58.8 .1 1 175 . 17 GLN CB C 27.9 .1 1 176 . 17 GLN CG C 33.8 .1 1 177 . 17 GLN N N 118.91 .06 1 178 . 17 GLN NE2 N 111.41 .06 1 179 . 18 PHE H H 8.23 .03 1 180 . 18 PHE HA H 4.17 .05 1 181 . 18 PHE HB2 H 2.78 .05 1 182 . 18 PHE HB3 H 3.19 .05 1 183 . 18 PHE HD1 H 7.29 .05 1 184 . 18 PHE HD2 H 7.29 .05 1 185 . 18 PHE HE1 H 7.42 .05 1 186 . 18 PHE HE2 H 7.42 .05 1 187 . 18 PHE CA C 61.0 .1 1 188 . 18 PHE CB C 38.9 .1 1 189 . 18 PHE N N 120.57 .06 1 190 . 19 ARG H H 9.37 .03 1 191 . 19 ARG HA H 3.74 .05 1 192 . 19 ARG HB2 H 0.96 .05 1 193 . 19 ARG HB3 H 1.55 .05 4 194 . 19 ARG HG2 H 1.46 .05 1 195 . 19 ARG HG3 H 1.55 .05 4 196 . 19 ARG HD2 H 2.87 .05 1 197 . 19 ARG HD3 H 3.23 .05 1 198 . 19 ARG CA C 59.6 .1 1 199 . 19 ARG CB C 28.9 .1 1 200 . 19 ARG CG C 25.4 .1 1 201 . 19 ARG CD C 42.8 .1 1 202 . 19 ARG N N 122.41 .06 1 203 . 20 GLU H H 8.2 .03 1 204 . 20 GLU HA H 4.01 .05 1 205 . 20 GLU HB2 H 2.13 .05 1 206 . 20 GLU HB3 H 2.13 .05 1 207 . 20 GLU HG2 H 2.28 .05 1 208 . 20 GLU HG3 H 2.46 .05 1 209 . 20 GLU CA C 59.5 .1 1 210 . 20 GLU CB C 29.2 .1 1 211 . 20 GLU CG C 36.1 .1 1 212 . 20 GLU N N 119.65 .06 1 213 . 21 ARG H H 7.53 .03 1 214 . 21 ARG HA H 4.23 .05 1 215 . 21 ARG HB2 H 2.05 .05 1 216 . 21 ARG HB3 H 2.05 .05 1 217 . 21 ARG HG2 H 1.72 .05 1 218 . 21 ARG HG3 H 1.72 .05 1 219 . 21 ARG HD2 H 3.07 .05 1 220 . 21 ARG HD3 H 3.07 .05 1 221 . 21 ARG CA C 58.7 .1 1 222 . 21 ARG CB C 29.9 .1 1 223 . 21 ARG CG C 27.1 .1 1 224 . 21 ARG CD C 42.8 .1 1 225 . 21 ARG N N 119.84 .06 1 226 . 22 ASN H H 8.83 .03 1 227 . 22 ASN HA H 4.65 .05 1 228 . 22 ASN HB2 H 2.60 .05 1 229 . 22 ASN HB3 H 2.96 .05 1 230 . 22 ASN HD21 H 6.46 .03 2 231 . 22 ASN HD22 H 7.78 .03 2 232 . 22 ASN CA C 57.3 .1 1 233 . 22 ASN CB C 39.6 .1 1 234 . 22 ASN N N 118.9 .06 1 235 . 22 ASN ND2 N 112.6 .06 1 236 . 23 GLU H H 8.84 .03 1 237 . 23 GLU HA H 4.05 .05 1 238 . 23 GLU HB2 H 2.15 .05 1 239 . 23 GLU HB3 H 2.15 .05 1 240 . 23 GLU CA C 59.3 .1 1 241 . 23 GLU CB C 29.2 .1 1 242 . 23 GLU N N 118.9 .06 1 243 . 24 ALA H H 7.84 .03 1 244 . 24 ALA HA H 4.25 .05 1 245 . 24 ALA HB H 1.62 .05 1 246 . 24 ALA CA C 54.8 .1 1 247 . 24 ALA CB C 17.7 .1 1 248 . 24 ALA N N 121.72 .06 1 249 . 25 LEU H H 7.89 .03 1 250 . 25 LEU HA H 4.15 .05 1 251 . 25 LEU HB2 H 1.46 .05 1 252 . 25 LEU HB3 H 2.20 .05 1 253 . 25 LEU HG H 2.09 .05 1 254 . 25 LEU HD1 H 1.12 .05 1 255 . 25 LEU HD2 H 0.97 .05 1 256 . 25 LEU CA C 57.6 .1 1 257 . 25 LEU CB C 40.5 .1 1 258 . 25 LEU CG C 26.0 .1 1 259 . 25 LEU CD1 C 22.1 .1 1 260 . 25 LEU CD2 C 25.8 .1 1 261 . 25 LEU N N 120.1 .06 1 262 . 26 GLU H H 8.45 .03 1 263 . 26 GLU HA H 4.26 .05 1 264 . 26 GLU HB2 H 2.16 .05 1 265 . 26 GLU HB3 H 2.16 .05 1 266 . 26 GLU HG2 H 2.24 .05 1 267 . 26 GLU HG3 H 2.76 .05 1 268 . 26 GLU CA C 59.3 .1 1 269 . 26 GLU CB C 28.6 .1 1 270 . 26 GLU CG C 37.0 .1 1 271 . 26 GLU N N 119.84 .06 1 272 . 27 LEU H H 8.26 .03 1 273 . 27 LEU HA H 4.26 .05 1 274 . 27 LEU HB2 H 1.77 .05 1 275 . 27 LEU HB3 H 1.85 .05 1 276 . 27 LEU HG H 1.75 .05 1 277 . 27 LEU HD1 H 0.95 .05 1 278 . 27 LEU HD2 H 0.95 .05 1 279 . 27 LEU CA C 57.6 .1 1 280 . 27 LEU CB C 41.3 .1 1 281 . 27 LEU CG C 26.5 .1 1 282 . 27 LEU CD1 C 23.7 .1 1 283 . 27 LEU CD2 C 23.7 .1 1 284 . 27 LEU N N 122.66 .06 1 285 . 28 LYS H H 7.56 .03 1 286 . 28 LYS HA H 4.16 .05 1 287 . 28 LYS HB2 H 2.05 .05 1 288 . 28 LYS HB3 H 2.05 .05 1 289 . 28 LYS HG2 H 1.54 .05 1 290 . 28 LYS HG3 H 1.66 .05 1 291 . 28 LYS HD2 H 1.75 .05 1 292 . 28 LYS HD3 H 1.75 .05 1 293 . 28 LYS HE2 H 3.05 .05 1 294 . 28 LYS HE3 H 3.05 .05 1 295 . 28 LYS CA C 58.4 .1 1 296 . 28 LYS CB C 31.6 .1 1 297 . 28 LYS CG C 24.7 .1 1 298 . 28 LYS CD C 28.8 .1 1 299 . 28 LYS N N 119.92 .06 1 300 . 29 ASP H H 8.08 .03 1 301 . 29 ASP HA H 4.43 .05 1 302 . 29 ASP HB2 H 2.74 .05 1 303 . 29 ASP HB3 H 3.00 .05 1 304 . 29 ASP CA C 56.5 .1 1 305 . 29 ASP CB C 40.2 .1 1 306 . 29 ASP N N 120.74 .06 1 307 . 30 ALA H H 7.81 .03 1 308 . 30 ALA HA H 4.29 .05 1 309 . 30 ALA HB H 1.58 .05 1 310 . 30 ALA CA C 53.4 .1 1 311 . 30 ALA CB C 18.3 .1 1 312 . 30 ALA N N 122.08 .06 1 313 . 31 GLN H H 8.0 .03 1 314 . 31 GLN HA H 4.26 .05 1 315 . 31 GLN HB2 H 2.18 .05 1 316 . 31 GLN HB3 H 2.18 .05 1 317 . 31 GLN HG2 H 2.47 .05 1 318 . 31 GLN HG3 H 2.58 .05 1 319 . 31 GLN HE21 H 6.88 .03 2 320 . 31 GLN HE22 H 7.50 .03 2 321 . 31 GLN CA C 56.2 .1 1 322 . 31 GLN CB C 28.5 .1 1 323 . 31 GLN CG C 33.6 .1 1 324 . 31 GLN N N 117.91 .06 1 325 . 31 GLN NE2 N 112.2 .06 1 326 . 32 ALA H H 7.91 .03 1 327 . 32 ALA HA H 4.35 .05 1 328 . 32 ALA HB H 1.51 .05 1 329 . 32 ALA CA C 52.9 .1 1 330 . 32 ALA CB C 18.6 .1 1 331 . 32 ALA N N 123.56 .06 1 332 . 33 GLY H H 8.25 .03 1 333 . 33 GLY HA2 H 3.98 .05 1 334 . 33 GLY HA3 H 3.98 .05 1 335 . 33 GLY CA C 45.1 .1 1 336 . 33 GLY N N 107.9 .06 1 stop_ save_