data_4048 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the tetrameric minimum transforming domain of p53 ; _BMRB_accession_number 4048 _BMRB_flat_file_name bmr4048.str _Entry_type update _Submission_date 1997-07-28 _Accession_date 1997-07-28 _Entry_origination BMRB _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 Lee Weontae . . 2 Harvey Timothy S. . 3 Yin Ya . . 4 Yau Patrick . . 5 Litchfield David . . 6 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" 228 "13C chemical shifts" 145 "15N chemical shifts" 39 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-08-17 reformat BMRB 'format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Lee, W., Harvey, T. S., Yin, Y., Yau, P., Litchfield, D., and Arrowsmith, C. H., "Solution Structure of the tetrameric minimum transforming domain of p53," Nat. Struct. Biol. 1, 877-890 (1994). ; _Citation_title 'Solution Structure of the tetrameric minimum transforming domain of p53' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 95292092 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Weontae . . 2 Harvey Timothy S. . 3 Yin Ya . . 4 Yau Patrick . . 5 Litchfield David . . 6 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_name_full 'Nature Structural Biology' _Journal_volume 1 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 877 _Page_last 890 _Year 1994 _Details . loop_ _Keyword 'Cellular tumor antigen p53 - human' 'minimum transforming domain (residues 303-366) of human p53 (p53tet)' NMR 'Nuclear Magnetic Resonance' 'p53, nuclear phosphoprotein' 'tumor suppressor' stop_ save_ ################################## # Molecular system description # ################################## save_system_p53tet _Saveframe_category molecular_system _Mol_system_name 'p53 nuclear phosphoprotein' _Abbreviation_common p53tet _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit A' $p53tet 'subunit B' $p53tet 'subunit C' $p53tet 'subunit D' $p53tet stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state tetramer _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'subunit A' 1 'subunit B' 1 'subunit C' 1 'subunit D' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p53tet _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'p53 nuclear phosphoprotein' _Name_variant (WT)p53 _Abbreviation_common p53tet _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; HMSTKRALPNNTSSSPQPKK KPLDGEYFTLQIRGRERFEM FRELNEALELKDAQAGKEPG GSRAHS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . HIS 2 . MET 3 303 SER 4 304 THR 5 305 LYS 6 306 ARG 7 307 ALA 8 308 LEU 9 309 PRO 10 310 ASN 11 311 ASN 12 312 THR 13 313 SER 14 314 SER 15 315 SER 16 316 PRO 17 317 GLN 18 318 PRO 19 319 LYS 20 320 LYS 21 321 LYS 22 322 PRO 23 323 LEU 24 324 ASP 25 325 GLY 26 326 GLU 27 327 TYR 28 328 PHE 29 329 THR 30 330 LEU 31 331 GLN 32 332 ILE 33 333 ARG 34 334 GLY 35 335 ARG 36 336 GLU 37 337 ARG 38 338 PHE 39 339 GLU 40 340 MET 41 341 PHE 42 241 ARG 43 343 GLU 44 344 LEU 45 345 ASN 46 346 GLU 47 347 ALA 48 348 LEU 49 349 GLU 50 350 LEU 51 351 LYS 52 352 ASP 53 353 ALA 54 354 GLN 55 355 ALA 56 356 GLY 57 357 LYS 58 358 GLU 59 359 PRO 60 360 GLY 61 361 GLY 62 362 SER 63 363 ARG 64 364 ALA 65 365 HIS 66 366 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1OLG "High-Resolution Solution Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr" 63.64 42 100.00 100.00 2.06e-20 PDB 1OLH "High-Resolution Solution Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr" 63.64 42 100.00 100.00 2.06e-20 PDB 1SAE "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" 63.64 42 100.00 100.00 2.06e-20 PDB 1SAF "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sad Structures)" 63.64 42 100.00 100.00 2.06e-20 PDB 1SAK "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" 63.64 42 100.00 100.00 2.06e-20 PDB 1SAL "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sad Structures)" 63.64 42 100.00 100.00 2.06e-20 PDB 3SAK "High Resolution Solution Nmr Structure Of The Oligomerization Domain Of P53 By Multi-Dimensional Nmr (Sac Structures)" 63.64 42 100.00 100.00 2.06e-20 DBJ BAC16799 "P53 [Homo sapiens]" 96.97 393 98.44 98.44 2.53e-33 DBJ BAD96746 "tumor protein p53 variant [Homo sapiens]" 96.97 158 100.00 100.00 2.14e-36 DBJ BAG35463 "unnamed protein product [Homo sapiens]" 96.97 393 100.00 100.00 1.31e-34 DBJ BAG59884 "unnamed protein product [Homo sapiens]" 96.97 368 98.44 98.44 4.41e-34 DBJ BAG60244 "unnamed protein product [Homo sapiens]" 96.97 383 100.00 100.00 1.36e-34 EMBL CAA25652 "p53 [Homo sapiens]" 96.97 293 100.00 100.00 2.59e-35 EMBL CAA26306 "unnamed protein product [Homo sapiens]" 96.97 393 100.00 100.00 1.28e-34 EMBL CAA34420 "unnamed protein product [Chlorocebus aethiops]" 96.97 393 98.44 98.44 7.07e-34 EMBL CAA38095 "protein p53 [Homo sapiens]" 96.97 393 100.00 100.00 1.31e-34 EMBL CAA42626 "p53 transformation suppressor [Homo sapiens]" 96.97 393 100.00 100.00 1.35e-34 GB AAA17994 "p53 [Macaca mulatta]" 96.97 393 98.44 98.44 7.44e-34 GB AAA59987 "phosphoprotein p53 [Homo sapiens]" 96.97 393 100.00 100.00 1.39e-34 GB AAA59988 "phosphoprotein p53 [Homo sapiens]" 96.97 393 100.00 100.00 1.28e-34 GB AAA59989 "p53 cellular tumor antigen [Homo sapiens]" 96.97 393 100.00 100.00 1.31e-34 GB AAA61211 "p53 antigen [Homo sapiens]" 96.97 393 100.00 100.00 1.18e-34 PRF 2006287A "p53 protein" 96.97 393 98.44 98.44 7.44e-34 REF NP_000537 "cellular tumor antigen p53 isoform a [Homo sapiens]" 96.97 393 100.00 100.00 1.28e-34 REF NP_001040616 "cellular tumor antigen p53 [Macaca mulatta]" 96.97 393 98.44 98.44 7.44e-34 REF NP_001119584 "cellular tumor antigen p53 isoform a [Homo sapiens]" 96.97 393 100.00 100.00 1.28e-34 REF NP_001119587 "cellular tumor antigen p53 isoform d [Homo sapiens]" 96.97 261 100.00 100.00 1.34e-35 REF NP_001119590 "cellular tumor antigen p53 isoform g [Homo sapiens]" 96.97 354 100.00 100.00 8.52e-35 SP P04637 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Antigen NY-CO-13; AltName: Full=Phosphoprotein p53; AltName: Full=Tumor" 96.97 393 100.00 100.00 1.28e-34 SP P13481 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" 96.97 393 98.44 98.44 7.07e-34 SP P56423 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" 96.97 393 98.44 98.44 7.44e-34 SP P56424 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" 96.97 393 98.44 98.44 7.44e-34 SP P61260 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" 96.97 393 98.44 98.44 7.44e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p53tet 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 _Variant _Vector_type _Vector_name $p53tet 'recombinant technology' 'E. coli' Escherichia coli BL21 (DE3)[pLysS] plasmid pET19b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p53tet 2.0 mM . NaCL 250 mM . Na2HPO4 25 mM . NaN3 0.02 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p53tet 2.0 mM [U-15N] NaCL 250 mM . Na2HPO4 25 mM . NaN3 0.02 % . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p53tet 2.0 mM '[U-13C; U-15N]' NaCL 250 mM . Na2HPO4 25 mM . NaN3 0.02 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity 600' _Field_strength 600 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity +500' _Field_strength 500 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details 'Conditions for all three samples are the same' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . na temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 CH3CO2NA C 13 'methyl carbon' ppm 25.85 external indirect . . . H2O H 1 protons ppm 4.58 internal direct . . . CH4(15N2O) N 15 . ppm 78.98 external indirect . . . 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_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two $sample_three stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'subunit A' _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 . 23 LEU H H 8.3 . 1 2 . 23 LEU HA H 4.4 . 1 3 . 23 LEU HB2 H 1.65 . 1 4 . 23 LEU HB3 H 1.65 . 1 5 . 23 LEU HG H 1.7 . 1 6 . 23 LEU HD1 H 0.89 . 2 7 . 23 LEU HD2 H 0.93 . 2 8 . 23 LEU C C 172.7 . 1 9 . 23 LEU CA C 55.00 . 1 10 . 23 LEU CB C 42.5 . 1 11 . 23 LEU CG C 26.96 . 1 12 . 23 LEU CD1 C 24.7 . 1 13 . 23 LEU CD2 C 24.7 . 1 14 . 23 LEU N N 122.3 . 1 15 . 24 ASP H H 8.22 . 1 16 . 24 ASP HA H 4.3 . 1 17 . 24 ASP HB2 H 2.7 . 2 18 . 24 ASP HB3 H 2.65 . 2 19 . 24 ASP C C 173.00 . 1 20 . 24 ASP CA C 54.5 . 1 21 . 24 ASP CB C 41.8 . 1 22 . 24 ASP N N 121.3 . 1 23 . 25 GLY H H 8.18 . 1 24 . 25 GLY HA2 H 3.88 . 2 25 . 25 GLY HA3 H 4.7 . 2 26 . 25 GLY C C 171.4 . 1 27 . 25 GLY CA C 45.00 . 1 28 . 25 GLY N N 114.00 . 1 29 . 26 GLU H H 8.02 . 1 30 . 26 GLU HA H 4.3 . 1 31 . 26 GLU HB2 H 1.92 . 1 32 . 26 GLU HB3 H 1.92 . 1 33 . 26 GLU HG2 H 2.05 . 1 34 . 26 GLU HG3 H 2.19 . 2 35 . 26 GLU C C 169.1 . 1 36 . 26 GLU CA C 56.00 . 1 37 . 26 GLU CB C 31.00 . 1 38 . 26 GLU CG C 36.66 . 1 39 . 26 GLU N N 121.00 . 1 40 . 27 TYR H H 7.85 . 1 41 . 27 TYR HA H 5.1 . 1 42 . 27 TYR HB2 H 2.7 . 1 43 . 27 TYR HB3 H 2.7 . 1 44 . 27 TYR HD1 H 6.9 . 1 45 . 27 TYR HD2 H 6.9 . 1 46 . 27 TYR HE1 H 6.8 . 1 47 . 27 TYR HE2 H 6.8 . 1 48 . 27 TYR C C 170.5 . 1 49 . 27 TYR CA C 57.00 . 1 50 . 27 TYR CB C 41.00 . 1 51 . 27 TYR N N 120.00 . 1 52 . 28 PHE H H 9.35 . 1 53 . 28 PHE HA H 4.3 . 1 54 . 28 PHE HB2 H 3.15 . 1 55 . 28 PHE HB3 H 3.15 . 1 56 . 28 PHE HD1 H 6.8 . 1 57 . 28 PHE HD2 H 6.8 . 1 58 . 28 PHE HE1 H 7.06 . 1 59 . 28 PHE HE2 H 7.06 . 1 60 . 28 PHE HZ H 7.17 . 1 61 . 28 PHE C C 171.1 . 1 62 . 28 PHE CA C 56.8 . 1 63 . 28 PHE CB C 43.2 . 1 64 . 28 PHE N N 121.5 . 1 65 . 29 THR H H 8.4 . 1 66 . 29 THR HA H 5.15 . 1 67 . 29 THR HB H 4.00 . 1 68 . 29 THR HG2 H 1.15 . 1 69 . 29 THR C C 171.00 . 1 70 . 29 THR CA C 61.5 . 1 71 . 29 THR CB C 70.5 . 1 72 . 29 THR CG2 C 22.5 . 1 73 . 29 THR N N 115.00 . 1 74 . 30 LEU H H 9.00 . 1 75 . 30 LEU HA H 4.9 . 1 76 . 30 LEU HB2 H 1.88 . 2 77 . 30 LEU HB3 H 1.45 . 2 78 . 30 LEU HG H 1.5 . 1 79 . 30 LEU HD1 H 0.95 . 1 80 . 30 LEU HD2 H 0.6 . 1 81 . 30 LEU C C 169.3 . 1 82 . 30 LEU CA C 53.5 . 1 83 . 30 LEU CB C 47.3 . 1 84 . 30 LEU CG C 27.00 . 1 85 . 30 LEU CD1 C 23.97 . 1 86 . 30 LEU CD2 C 26.6 . 1 87 . 30 LEU N N 127.3 . 1 88 . 31 GLN H H 8.59 . 1 89 . 31 GLN HA H 5.05 . 1 90 . 31 GLN HB2 H 1.89 . 2 91 . 31 GLN HB3 H 2.00 . 2 92 . 31 GLN HG2 H 2.2 . 2 93 . 31 GLN HG3 H 2.25 . 2 94 . 31 GLN C C 170.7 . 1 95 . 31 GLN CA C 55.2 . 1 96 . 31 GLN CB C 30.00 . 1 97 . 31 GLN CG C 33.68 . 1 98 . 31 GLN N N 125.7 . 1 99 . 31 GLN NE2 N 112.8 . 1 100 . 32 ILE H H 9.4 . 1 101 . 32 ILE HA H 4.4 . 1 102 . 32 ILE HB H 1.85 . 1 103 . 32 ILE HG12 H 1.44 . 2 104 . 32 ILE HG13 H 1.16 . 2 105 . 32 ILE HG2 H 1.00 . 1 106 . 32 ILE HD1 H 0.79 . 1 107 . 32 ILE C C 171.00 . 1 108 . 32 ILE CA C 59.8 . 1 109 . 32 ILE CB C 42.00 . 1 110 . 32 ILE CG1 C 27.7 . 1 111 . 32 ILE CG2 C 18.75 . 1 112 . 32 ILE CD1 C 15.02 . 1 113 . 32 ILE N N 127.00 . 1 114 . 33 ARG H H 9.75 . 1 115 . 33 ARG HA H 4.35 . 1 116 . 33 ARG HB2 H 1.55 . 2 117 . 33 ARG HB3 H 1.85 . 2 118 . 33 ARG HG2 H 1.05 . 2 119 . 33 ARG HG3 H 1.3 . 2 120 . 33 ARG HD2 H 3.15 . 1 121 . 33 ARG HD3 H 3.15 . 1 122 . 33 ARG C C 170.00 . 1 123 . 33 ARG CA C 56.3 . 1 124 . 33 ARG CB C 31.00 . 1 125 . 33 ARG CG C 27.3 . 1 126 . 33 ARG CD C 43.4 . 1 127 . 33 ARG N N 130.8 . 1 128 . 34 GLY H H 8.7 . 1 129 . 34 GLY HA2 H 3.45 . 2 130 . 34 GLY HA3 H 3.68 . 2 131 . 34 GLY C C 171.8 . 1 132 . 34 GLY CA C 44.3 . 1 133 . 34 GLY N N 115.2 . 1 134 . 35 ARG H H 8.92 . 1 135 . 35 ARG HA H 3.3 . 1 136 . 35 ARG HB2 H 1.8 . 2 137 . 35 ARG HB3 H 1.9 . 2 138 . 35 ARG HG2 H 1.4 . 2 139 . 35 ARG HG3 H 1.6 . 2 140 . 35 ARG HD2 H 3.08 . 2 141 . 35 ARG HD3 H 3.12 . 2 142 . 35 ARG C C 169.8 . 1 143 . 35 ARG CA C 59.8 . 1 144 . 35 ARG CB C 30.00 . 1 145 . 35 ARG CG C 26.6 . 1 146 . 35 ARG CD C 42.25 . 1 147 . 35 ARG N N 126.9 . 1 148 . 36 GLU H H 8.85 . 1 149 . 36 GLU HA H 3.97 . 1 150 . 36 GLU HB2 H 2.00 . 2 151 . 36 GLU HB3 H 2.1 . 2 152 . 36 GLU HG2 H 2.3 . 1 153 . 36 GLU HG3 H 2.4 . 2 154 . 36 GLU C C 173.6 . 1 155 . 36 GLU CA C 60.00 . 1 156 . 36 GLU CB C 28.5 . 1 157 . 36 GLU CG C 36.66 . 1 158 . 36 GLU N N 119.00 . 1 159 . 37 ARG H H 7.95 . 1 160 . 37 ARG HA H 3.95 . 1 161 . 37 ARG HB2 H 2.3 . 1 162 . 37 ARG HB3 H 2.3 . 1 163 . 37 ARG HG2 H 1.7 . 1 164 . 37 ARG HG3 H 1.7 . 1 165 . 37 ARG HD2 H 3.03 . 1 166 . 37 ARG HD3 H 3.03 . 1 167 . 37 ARG C C 170.5 . 1 168 . 37 ARG CA C 59.5 . 1 169 . 37 ARG CB C 33.5 . 1 170 . 37 ARG CG C 28.8 . 1 171 . 37 ARG CD C 40.8 . 1 172 . 37 ARG N N 122.8 . 1 173 . 38 PHE H H 8.42 . 1 174 . 38 PHE HA H 4.2 . 1 175 . 38 PHE HB2 H 2.85 . 2 176 . 38 PHE HB3 H 2.95 . 2 177 . 38 PHE HD1 H 6.8 . 1 178 . 38 PHE HD2 H 6.8 . 1 179 . 38 PHE HE1 H 7.24 . 1 180 . 38 PHE HE2 H 7.24 . 1 181 . 38 PHE HZ H 7.4 . 1 182 . 38 PHE C C 173.8 . 1 183 . 38 PHE CA C 61.6 . 1 184 . 38 PHE CB C 38.7 . 1 185 . 38 PHE N N 120.8 . 1 186 . 39 GLU H H 8.6 . 1 187 . 39 GLU HA H 3.5 . 1 188 . 39 GLU HB2 H 1.95 . 2 189 . 39 GLU HB3 H 2.00 . 2 190 . 39 GLU HG2 H 2.3 . 1 191 . 39 GLU HG3 H 2.48 . 2 192 . 39 GLU C C 172.00 . 1 193 . 39 GLU CA C 59.00 . 1 194 . 39 GLU CB C 28.7 . 1 195 . 39 GLU CG C 35.92 . 1 196 . 39 GLU N N 118.8 . 1 197 . 40 MET H H 7.65 . 1 198 . 40 MET HA H 4.1 . 1 199 . 40 MET HB2 H 2.05 . 2 200 . 40 MET HB3 H 2.25 . 2 201 . 40 MET HG2 H 2.05 . 2 202 . 40 MET HG3 H 2.58 . 2 203 . 40 MET HE H 1.55 . 1 204 . 40 MET C C 175.1 . 1 205 . 40 MET CA C 58.7 . 1 206 . 40 MET CB C 32.2 . 1 207 . 40 MET CG C 30.4 . 1 208 . 40 MET CE C 40.00 . 1 209 . 40 MET N N 120.8 . 1 210 . 41 PHE H H 8.12 . 1 211 . 41 PHE HA H 4.15 . 1 212 . 41 PHE HB2 H 2.7 . 2 213 . 41 PHE HB3 H 2.9 . 2 214 . 41 PHE HD1 H 7.12 . 1 215 . 41 PHE HD2 H 7.12 . 1 216 . 41 PHE HE1 H 7.31 . 1 217 . 41 PHE HE2 H 7.31 . 1 218 . 41 PHE HZ H 6.92 . 1 219 . 41 PHE C C 173.7 . 1 220 . 41 PHE CA C 61.5 . 1 221 . 41 PHE CB C 39.00 . 1 222 . 41 PHE N N 118.3 . 1 223 . 42 ARG H H 9.28 . 1 224 . 42 ARG HA H 3.7 . 1 225 . 42 ARG HB2 H 1.55 . 2 226 . 42 ARG HB3 H 1.58 . 2 227 . 42 ARG HG2 H 1.45 . 2 228 . 42 ARG HG3 H 1.5 . 2 229 . 42 ARG HD2 H 2.87 . 1 230 . 42 ARG HD3 H 2.87 . 1 231 . 42 ARG C C 173.8 . 1 232 . 42 ARG CA C 59.8 . 1 233 . 42 ARG CB C 29.00 . 1 234 . 42 ARG CG C 25.8 . 1 235 . 42 ARG CD C 43.00 . 1 236 . 42 ARG N N 121.6 . 1 237 . 43 GLU H H 7.85 . 1 238 . 43 GLU HA H 4.05 . 1 239 . 43 GLU HB2 H 2.15 . 1 240 . 43 GLU HB3 H 2.15 . 1 241 . 43 GLU HG2 H 2.22 . 1 242 . 43 GLU HG3 H 2.28 . 2 243 . 43 GLU C C 174.3 . 1 244 . 43 GLU CA C 59.8 . 1 245 . 43 GLU CB C 29.00 . 1 246 . 43 GLU CG C 35.54 . 1 247 . 43 GLU N N 121.00 . 1 248 . 44 LEU H H 7.8 . 1 249 . 44 LEU HA H 4.1 . 1 250 . 44 LEU HB2 H 1.55 . 2 251 . 44 LEU HB3 H 2.25 . 2 252 . 44 LEU HG H 2.1 . 1 253 . 44 LEU HD1 H 0.94 . 1 254 . 44 LEU HD2 H 0.8 . 1 255 . 44 LEU C C 175.2 . 1 256 . 44 LEU CA C 58.00 . 1 257 . 44 LEU CB C 42.5 . 1 258 . 44 LEU CG C 26.6 . 1 259 . 44 LEU CD1 C 23.2 . 1 260 . 44 LEU CD2 C 25.1 . 1 261 . 44 LEU N N 118.5 . 1 262 . 45 ASN H H 8.85 . 1 263 . 45 ASN HA H 4.1 . 1 264 . 45 ASN HB2 H 2.8 . 2 265 . 45 ASN HB3 H 2.5 . 2 266 . 45 ASN HD21 H 6.45 . 2 267 . 45 ASN HD22 H 7.68 . 2 268 . 45 ASN C C 174.3 . 1 269 . 45 ASN CA C 57.6 . 1 270 . 45 ASN CB C 39.7 . 1 271 . 45 ASN N N 117.6 . 1 272 . 45 ASN ND2 N 112.4 . 1 273 . 46 GLU H H 8.81 . 1 274 . 46 GLU HA H 4.05 . 1 275 . 46 GLU HB2 H 2.15 . 2 276 . 46 GLU HB3 H 2.25 . 2 277 . 46 GLU HG2 H 2.55 . 1 278 . 46 GLU HG3 H 2.25 . 2 279 . 46 GLU C C 173.00 . 1 280 . 46 GLU CA C 59.5 . 1 281 . 46 GLU CB C 30.00 . 1 282 . 46 GLU CG C 34.05 . 1 283 . 46 GLU N N 119.2 . 1 284 . 47 ALA H H 8.25 . 1 285 . 47 ALA HA H 4.1 . 1 286 . 47 ALA HB H 1.58 . 1 287 . 47 ALA C C 175.6 . 1 288 . 47 ALA CA C 55.00 . 1 289 . 47 ALA CB C 17.5 . 1 290 . 47 ALA N N 122.3 . 1 291 . 48 LEU H H 8.18 . 1 292 . 48 LEU HA H 4.1 . 1 293 . 48 LEU HB2 H 2.18 . 2 294 . 48 LEU HB3 H 2.22 . 2 295 . 48 LEU HG H 2.05 . 1 296 . 48 LEU HD1 H 1.02 . 1 297 . 48 LEU HD2 H 0.9 . 1 298 . 48 LEU C C 175.5 . 1 299 . 48 LEU CA C 58.2 . 1 300 . 48 LEU CB C 40.5 . 1 301 . 48 LEU CG C 26.6 . 1 302 . 48 LEU CD1 C 26.6 . 1 303 . 48 LEU CD2 C 22.5 . 1 304 . 48 LEU N N 120.2 . 1 305 . 49 GLU H H 8.46 . 1 306 . 49 GLU HA H 4.25 . 1 307 . 49 GLU HB2 H 2.15 . 2 308 . 49 GLU HB3 H 2.2 . 2 309 . 49 GLU HG2 H 2.23 . 1 310 . 49 GLU HG3 H 2.8 . 2 311 . 49 GLU C C 175.2 . 1 312 . 49 GLU CA C 59.6 . 1 313 . 49 GLU CB C 29.00 . 1 314 . 49 GLU CG C 36.66 . 1 315 . 49 GLU N N 119.4 . 1 316 . 50 LEU H H 8.22 . 1 317 . 50 LEU HA H 4.28 . 1 318 . 50 LEU HB2 H 2.00 . 2 319 . 50 LEU HB3 H 1.86 . 2 320 . 50 LEU HG H 1.77 . 1 321 . 50 LEU HD1 H 0.92 . 2 322 . 50 LEU HD2 H 0.98 . 2 323 . 50 LEU C C 176.1 . 1 324 . 50 LEU CA C 57.9 . 1 325 . 50 LEU CB C 41.5 . 1 326 . 50 LEU CG C 27.00 . 1 327 . 50 LEU CD1 C 24.00 . 1 328 . 50 LEU CD2 C 24.00 . 1 329 . 50 LEU N N 123.6 . 1 330 . 51 LYS H H 8.05 . 1 331 . 51 LYS HA H 3.97 . 1 332 . 51 LYS HB2 H 1.85 . 2 333 . 51 LYS HB3 H 2.33 . 2 334 . 51 LYS HG2 H 1.45 . 2 335 . 51 LYS HG3 H 1.55 . 2 336 . 51 LYS HD2 H 1.65 . 2 337 . 51 LYS HD3 H 1.7 . 2 338 . 51 LYS HE2 H 3.05 . 1 339 . 51 LYS HE3 H 3.05 . 1 340 . 51 LYS C C 175.2 . 1 341 . 51 LYS CA C 59.8 . 1 342 . 51 LYS CB C 32.00 . 1 343 . 51 LYS CG C 24.4 . 1 344 . 51 LYS CD C 30.00 . 1 345 . 51 LYS N N 122.00 . 1 346 . 52 ASP H H 8.3 . 1 347 . 52 ASP HA H 4.4 . 1 348 . 52 ASP HB2 H 2.75 . 2 349 . 52 ASP HB3 H 3.00 . 2 350 . 52 ASP C C 175.2 . 1 351 . 52 ASP CA C 57.00 . 1 352 . 52 ASP CB C 40.7 . 1 353 . 52 ASP N N 120.8 . 1 354 . 53 ALA H H 7.75 . 1 355 . 53 ALA HA H 4.3 . 1 356 . 53 ALA HB H 1.63 . 1 357 . 53 ALA C C 174.2 . 1 358 . 53 ALA CA C 54.00 . 1 359 . 53 ALA CB C 18.5 . 1 360 . 53 ALA N N 121.6 . 1 361 . 54 GLN H H 7.9 . 1 362 . 54 GLN HA H 4.25 . 1 363 . 54 GLN HB2 H 2.15 . 2 364 . 54 GLN HB3 H 2.3 . 2 365 . 54 GLN HG2 H 2.55 . 1 366 . 54 GLN HG3 H 2.55 . 1 367 . 54 GLN HE21 H 6.92 . 2 368 . 54 GLN HE22 H 7.45 . 2 369 . 54 GLN C C 175.2 . 1 370 . 54 GLN CA C 56.5 . 1 371 . 54 GLN CB C 29.00 . 1 372 . 54 GLN CG C 33.3 . 1 373 . 54 GLN N N 117.4 . 1 374 . 54 GLN NE2 N 112.2 . 1 375 . 55 ALA H H 7.85 . 1 376 . 55 ALA HA H 4.4 . 1 377 . 55 ALA HB H 1.55 . 1 378 . 55 ALA C C 172.5 . 1 379 . 55 ALA CA C 53.00 . 1 380 . 55 ALA CB C 19.00 . 1 381 . 55 ALA N N 123.00 . 1 382 . 56 GLY H H 8.2 . 1 383 . 56 GLY HA2 H 3.95 . 2 384 . 56 GLY HA3 H 3.87 . 2 385 . 56 GLY C C 174.3 . 1 386 . 56 GLY CA C 45.5 . 1 387 . 56 GLY N N 107.6 . 1 388 . 57 LYS H H 7.92 . 1 389 . 57 LYS HA H 4.00 . 1 390 . 57 LYS HB2 H 1.8 . 2 391 . 57 LYS HB3 H 1.9 . 2 392 . 57 LYS HG2 H 1.45 . 1 393 . 57 LYS HG3 H 1.45 . 1 394 . 57 LYS HD2 H 1.67 . 1 395 . 57 LYS HD3 H 1.67 . 1 396 . 57 LYS HE2 H 3.25 . 1 397 . 57 LYS HE3 H 3.25 . 1 398 . 57 LYS C C 170.2 . 1 399 . 57 LYS CA C 56.00 . 1 400 . 57 LYS CB C 33.00 . 1 401 . 57 LYS N N 120.7 . 1 402 . 58 GLU H H 8.36 . 1 403 . 58 GLU HA H 4.63 . 1 404 . 58 GLU HB2 H 2.09 . 2 405 . 58 GLU HB3 H 1.96 . 2 406 . 58 GLU HG2 H 2.33 . 1 407 . 58 GLU HG3 H 2.49 . 2 408 . 58 GLU C C 172.2 . 1 409 . 58 GLU CA C 54.5 . 1 410 . 58 GLU CB C 29.8 . 1 411 . 58 GLU CG C 35.9 . 1 412 . 58 GLU N N 123.4 . 1 stop_ save_