data_17760 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone resonance assignments of p53 N-terminal transactivation domain (1-93) ; _BMRB_accession_number 17760 _BMRB_flat_file_name bmr17760.str _Entry_type original _Submission_date 2011-07-05 _Accession_date 2011-07-05 _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 Wong Tuck S. . 2 Rutherford Trevor J. . 3 Freund Stefan M.V. . 4 Fersht Alan R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 67 "13C chemical shifts" 251 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-18 original author . stop_ _Original_release_date 2011-07-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Biophysical characterizations of human mitochondrial travscription factor A and its binding to tumor suppressor p53' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19755502 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wong Tuck S. . 2 Rajagopalan Sridharan . . 3 Freund Stefan M.V. . 4 Rutherford Trevor J. . 5 Andreeva Antonina . . 6 Townsley Fiona M. . 7 Petrovich Miriana . . 8 Fersht Alan R. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 37 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6765 _Page_last 6783 _Year 2009 _Details . loop_ _Keyword 'N-terminal domain' p53 TAD 'transactivation domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p53 N-terminus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p53_TAD $p53_TAD stop_ _System_molecular_weight 9.979 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 p53_TAD stop_ _Database_query_date . _Details 'p53 residues 1-93' save_ ######################## # Monomeric polymers # ######################## save_p53_TAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p53_TAD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; MEEPQSDPSVEPPLSQETFS DLWKLLPENNVLSPLPSQAM DDLMLSPDDIEQWFTEDPGP DEAPRMPEAAPPVAPAPAAP TPAAPAPAPSWPL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLU 4 PRO 5 GLN 6 SER 7 ASP 8 PRO 9 SER 10 VAL 11 GLU 12 PRO 13 PRO 14 LEU 15 SER 16 GLN 17 GLU 18 THR 19 PHE 20 SER 21 ASP 22 LEU 23 TRP 24 LYS 25 LEU 26 LEU 27 PRO 28 GLU 29 ASN 30 ASN 31 VAL 32 LEU 33 SER 34 PRO 35 LEU 36 PRO 37 SER 38 GLN 39 ALA 40 MET 41 ASP 42 ASP 43 LEU 44 MET 45 LEU 46 SER 47 PRO 48 ASP 49 ASP 50 ILE 51 GLU 52 GLN 53 TRP 54 PHE 55 THR 56 GLU 57 ASP 58 PRO 59 GLY 60 PRO 61 ASP 62 GLU 63 ALA 64 PRO 65 ARG 66 MET 67 PRO 68 GLU 69 ALA 70 ALA 71 PRO 72 PRO 73 VAL 74 ALA 75 PRO 76 ALA 77 PRO 78 ALA 79 ALA 80 PRO 81 THR 82 PRO 83 ALA 84 ALA 85 PRO 86 ALA 87 PRO 88 ALA 89 PRO 90 SER 91 TRP 92 PRO 93 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2GS0 "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" 58.06 54 100.00 100.00 2.58e-27 PDB 2L14 "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" 52.69 49 100.00 100.00 2.44e-24 PDB 2LY4 "Hmgb1-Facilitated P53 Dna Binding Occurs Via Hmg-BoxP53 Transactivation Domain Interaction And Is Regulated By The Acidic Tail" 100.00 93 100.00 100.00 1.00e-52 DBJ BAC16799 "P53 [Homo sapiens]" 100.00 393 98.92 98.92 2.22e-53 DBJ BAG35463 "unnamed protein product [Homo sapiens]" 100.00 393 98.92 98.92 2.99e-53 DBJ BAG64357 "unnamed protein product [Homo sapiens]" 58.06 197 98.15 98.15 3.06e-25 DBJ BAI45431 "tumor protein p53 [synthetic construct]" 100.00 393 98.92 98.92 2.99e-53 DBJ BAJ52715 "tumor suppressor gene p53 [Homo sapiens]" 100.00 393 98.92 98.92 2.83e-53 EMBL CAA26306 "unnamed protein product [Homo sapiens]" 100.00 393 100.00 100.00 4.45e-54 EMBL CAA38095 "protein p53 [Homo sapiens]" 100.00 393 98.92 98.92 2.99e-53 EMBL CAA42625 "p53 transformation suppressor [Homo sapiens]" 100.00 245 98.92 98.92 1.36e-52 EMBL CAA42626 "p53 transformation suppressor [Homo sapiens]" 100.00 393 98.92 98.92 3.02e-53 EMBL CAA42627 "p53 transformation suppressor [Homo sapiens]" 100.00 393 98.92 98.92 2.99e-53 GB AAA59987 "phosphoprotein p53 [Homo sapiens]" 100.00 393 97.85 97.85 7.30e-53 GB AAA59988 "phosphoprotein p53 [Homo sapiens]" 100.00 393 100.00 100.00 4.45e-54 GB AAA59989 "p53 cellular tumor antigen [Homo sapiens]" 100.00 393 100.00 100.00 4.36e-54 GB AAA61211 "p53 antigen [Homo sapiens]" 100.00 393 97.85 97.85 8.94e-53 GB AAA61212 "p53 antigen [Homo sapiens]" 100.00 393 98.92 98.92 1.67e-53 REF NP_000537 "cellular tumor antigen p53 isoform a [Homo sapiens]" 100.00 393 100.00 100.00 4.45e-54 REF NP_001119584 "cellular tumor antigen p53 isoform a [Homo sapiens]" 100.00 393 100.00 100.00 4.45e-54 REF NP_001119585 "cellular tumor antigen p53 isoform c [Homo sapiens]" 100.00 346 100.00 100.00 1.01e-53 REF NP_001119586 "cellular tumor antigen p53 isoform b [Homo sapiens]" 100.00 341 100.00 100.00 5.39e-54 REF NP_001119590 "cellular tumor antigen p53 isoform g [Homo sapiens]" 58.06 354 100.00 100.00 2.04e-26 SP P04637 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Antigen NY-CO-13; AltName: Full=Phosphoprotein p53; AltName: Full=Tumor" 100.00 393 100.00 100.00 4.45e-54 SP Q9TTA1 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" 100.00 393 100.00 100.00 2.91e-54 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_TAD 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 $p53_TAD 'recombinant technology' . Escherichia coli . NA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '200uM protein in 25mM Tris.HCl pH 7.4, 150mM NaCl, 1mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p53_TAD 200 uM '[U-100% 13C; U-100% 15N]' TRIS 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 175 . mM pH 7.4 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.82 na indirect . . . 0.251449530 water H 1 protons ppm 4.82 internal direct . . . 1.0 water N 15 protons ppm 4.82 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HNCO' 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 p53_TAD _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 1 MET C C 176.163 0.02 1 2 1 1 MET CA C 55.706 0.25 1 3 1 1 MET CB C 32.671 0.25 1 4 2 2 GLU H H 8.358 0.02 1 5 2 2 GLU C C 176.171 0.02 1 6 2 2 GLU CA C 56.478 0.25 1 7 2 2 GLU CB C 30.498 0.25 1 8 2 2 GLU N N 121.536 0.11 1 9 3 3 GLU H H 8.359 0.02 1 10 3 3 GLU C C 174.464 0.02 1 11 3 3 GLU CA C 54.304 0.25 1 12 3 3 GLU CB C 29.868 0.25 1 13 3 3 GLU N N 123.308 0.11 1 14 4 4 PRO C C 176.995 0.02 1 15 4 4 PRO CA C 63.282 0.25 1 16 4 4 PRO CB C 32.204 0.25 1 17 5 5 GLN H H 8.575 0.02 1 18 5 5 GLN C C 176.034 0.02 1 19 5 5 GLN CA C 55.686 0.25 1 20 5 5 GLN CB C 29.746 0.25 1 21 5 5 GLN N N 120.976 0.11 1 22 6 6 SER H H 8.400 0.02 1 23 6 6 SER C C 173.796 0.02 1 24 6 6 SER CA C 58.306 0.25 1 25 6 6 SER CB C 64.034 0.25 1 26 6 6 SER N N 117.753 0.11 1 27 7 7 ASP H H 8.456 0.02 1 28 7 7 ASP C C 174.768 0.02 1 29 7 7 ASP CA C 52.368 0.25 1 30 7 7 ASP CB C 41.250 0.25 1 31 7 7 ASP N N 123.666 0.11 1 32 8 8 PRO C C 177.153 0.02 1 33 8 8 PRO CA C 63.486 0.25 1 34 8 8 PRO CB C 32.204 0.25 1 35 9 9 SER H H 8.541 0.02 1 36 9 9 SER C C 174.587 0.02 1 37 9 9 SER CA C 58.996 0.25 1 38 9 9 SER CB C 63.871 0.25 1 39 9 9 SER N N 116.051 0.11 1 40 10 10 VAL H H 7.890 0.02 1 41 10 10 VAL C C 175.852 0.02 1 42 10 10 VAL CA C 61.942 0.25 1 43 10 10 VAL CB C 32.915 0.25 1 44 10 10 VAL N N 121.109 0.11 1 45 11 11 GLU H H 8.357 0.02 1 46 11 11 GLU C C 173.930 0.02 1 47 11 11 GLU CA C 54.264 0.25 1 48 11 11 GLU CB C 29.807 0.25 1 49 11 11 GLU N N 126.173 0.11 1 50 13 13 PRO C C 176.989 0.02 1 51 13 13 PRO CA C 62.775 0.25 1 52 13 13 PRO CB C 32.103 0.25 1 53 14 14 LEU H H 8.363 0.02 1 54 14 14 LEU C C 177.622 0.02 1 55 14 14 LEU CA C 55.381 0.25 1 56 14 14 LEU CB C 42.503 0.25 1 57 14 14 LEU N N 122.452 0.11 1 58 15 15 SER H H 8.349 0.02 1 59 15 15 SER C C 174.657 0.02 1 60 15 15 SER CA C 58.184 0.25 1 61 15 15 SER CB C 63.871 0.25 1 62 15 15 SER N N 116.709 0.11 1 63 16 16 GLN H H 8.513 0.02 1 64 16 16 GLN C C 176.063 0.02 1 65 16 16 GLN CA C 56.051 0.25 1 66 16 16 GLN CB C 29.604 0.25 1 67 16 16 GLN N N 122.501 0.11 1 68 17 17 GLU H H 8.546 0.02 1 69 17 17 GLU C C 176.626 0.02 1 70 17 17 GLU CA C 57.067 0.25 1 71 17 17 GLU CB C 30.255 0.25 1 72 17 17 GLU N N 121.933 0.11 1 73 18 18 THR H H 8.127 0.02 1 74 18 18 THR C C 174.411 0.02 1 75 18 18 THR CA C 62.023 0.25 1 76 18 18 THR CB C 69.986 0.25 1 77 18 18 THR N N 114.933 0.11 1 78 19 19 PHE H H 8.261 0.02 1 79 19 19 PHE C C 175.917 0.02 1 80 19 19 PHE CA C 58.082 0.25 1 81 19 19 PHE CB C 39.456 0.25 1 82 19 19 PHE N N 122.317 0.11 1 83 20 20 SER H H 8.119 0.02 1 84 20 20 SER C C 174.511 0.02 1 85 20 20 SER CA C 58.753 0.25 1 86 20 20 SER CB C 63.912 0.25 1 87 20 20 SER N N 116.753 0.11 1 88 21 21 ASP H H 8.295 0.02 1 89 21 21 ASP C C 176.884 0.02 1 90 21 21 ASP CA C 54.954 0.25 1 91 21 21 ASP CB C 40.837 0.25 1 92 21 21 ASP N N 122.139 0.11 1 93 22 22 LEU H H 7.959 0.02 1 94 22 22 LEU C C 178.050 0.02 1 95 22 22 LEU CA C 56.579 0.25 1 96 22 22 LEU CB C 41.832 0.25 1 97 22 22 LEU N N 121.145 0.11 1 98 23 23 TRP H H 7.869 0.02 1 99 23 23 TRP C C 176.743 0.02 1 100 23 23 TRP CA C 57.757 0.25 1 101 23 23 TRP CB C 28.934 0.25 1 102 23 23 TRP N N 119.387 0.11 1 103 24 24 LYS H H 7.595 0.02 1 104 24 24 LYS C C 176.198 0.02 1 105 24 24 LYS CA C 56.945 0.25 1 106 24 24 LYS CB C 32.895 0.25 1 107 24 24 LYS N N 120.522 0.11 1 108 25 25 LEU H H 7.842 0.02 1 109 25 25 LEU C C 177.095 0.02 1 110 25 25 LEU CA C 54.975 0.25 1 111 25 25 LEU CB C 42.320 0.25 1 112 25 25 LEU N N 120.787 0.11 1 113 26 26 LEU H H 7.934 0.02 1 114 26 26 LEU C C 175.530 0.02 1 115 26 26 LEU CA C 53.025 0.25 1 116 26 26 LEU CB C 41.548 0.25 1 117 26 26 LEU N N 123.711 0.11 1 118 27 27 PRO C C 177.487 0.02 1 119 27 27 PRO CA C 63.668 0.25 1 120 27 27 PRO CB C 32.021 0.25 1 121 28 28 GLU H H 8.727 0.02 1 122 28 28 GLU C C 176.397 0.02 1 123 28 28 GLU CA C 57.189 0.25 1 124 28 28 GLU CB C 29.950 0.25 1 125 28 28 GLU N N 119.825 0.11 1 126 29 29 ASN H H 8.302 0.02 1 127 29 29 ASN C C 174.815 0.02 1 128 29 29 ASN CA C 53.228 0.25 1 129 29 29 ASN CB C 38.968 0.25 1 130 29 29 ASN N N 118.871 0.11 1 131 30 30 ASN H H 8.305 0.02 1 132 30 30 ASN C C 174.897 0.02 1 133 30 30 ASN CA C 53.492 0.25 1 134 30 30 ASN CB C 39.192 0.25 1 135 30 30 ASN N N 119.598 0.11 1 136 31 31 VAL H H 8.051 0.02 1 137 31 31 VAL C C 176.063 0.02 1 138 31 31 VAL CA C 62.531 0.25 1 139 31 31 VAL CB C 32.651 0.25 1 140 31 31 VAL N N 120.218 0.11 1 141 32 32 LEU H H 8.313 0.02 1 142 32 32 LEU C C 177.118 0.02 1 143 32 32 LEU CA C 55.036 0.25 1 144 32 32 LEU CB C 42.401 0.25 1 145 32 32 LEU N N 125.577 0.11 1 146 33 33 SER H H 8.241 0.02 1 147 33 33 SER C C 172.448 0.02 1 148 33 33 SER CA C 56.214 0.25 1 149 33 33 SER CB C 63.465 0.25 1 150 33 33 SER N N 118.112 0.11 1 151 34 34 PRO C C 176.772 0.02 1 152 34 34 PRO CA C 63.018 0.25 1 153 34 34 PRO CB C 32.164 0.25 1 154 35 35 LEU H H 8.326 0.02 1 155 35 35 LEU C C 175.565 0.02 1 156 35 35 LEU CA C 53.187 0.25 1 157 35 35 LEU CB C 41.731 0.25 1 158 35 35 LEU N N 123.728 0.11 1 159 36 36 PRO C C 177.095 0.02 1 160 36 36 PRO CA C 63.303 0.25 1 161 36 36 PRO CB C 32.082 0.25 1 162 37 37 SER H H 8.358 0.02 1 163 37 37 SER C C 174.739 0.02 1 164 37 37 SER CA C 58.631 0.25 1 165 37 37 SER CB C 63.811 0.25 1 166 37 37 SER N N 115.700 0.11 1 167 38 38 GLN H H 8.397 0.02 1 168 38 38 GLN C C 175.618 0.02 1 169 38 38 GLN CA C 55.868 0.25 1 170 38 38 GLN CB C 29.665 0.25 1 171 38 38 GLN N N 122.247 0.11 1 172 39 39 ALA H H 8.330 0.02 1 173 39 39 ALA C C 177.874 0.02 1 174 39 39 ALA CA C 52.700 0.25 1 175 39 39 ALA CB C 19.265 0.25 1 176 39 39 ALA N N 125.228 0.11 1 177 40 40 MET H H 8.352 0.02 1 178 40 40 MET C C 176.244 0.02 1 179 40 40 MET CA C 55.665 0.25 1 180 40 40 MET CB C 32.956 0.25 1 181 40 40 MET N N 119.567 0.11 1 182 41 41 ASP H H 8.274 0.02 1 183 41 41 ASP C C 176.244 0.02 1 184 41 41 ASP CA C 54.792 0.25 1 185 41 41 ASP CB C 41.284 0.25 1 186 41 41 ASP N N 121.040 0.11 1 187 42 42 ASP H H 8.112 0.02 1 188 42 42 ASP C C 176.368 0.02 1 189 42 42 ASP CA C 54.690 0.25 1 190 42 42 ASP CB C 41.081 0.25 1 191 42 42 ASP N N 120.231 0.11 1 192 43 43 LEU H H 8.100 0.02 1 193 43 43 LEU C C 177.405 0.02 1 194 43 43 LEU CA C 55.564 0.25 1 195 43 43 LEU CB C 42.239 0.25 1 196 43 43 LEU N N 121.742 0.11 1 197 44 44 MET H H 8.270 0.02 1 198 44 44 MET C C 175.946 0.02 1 199 44 44 MET CA C 55.442 0.25 1 200 44 44 MET CB C 32.346 0.25 1 201 44 44 MET N N 120.360 0.11 1 202 45 45 LEU H H 8.105 0.02 1 203 45 45 LEU C C 177.112 0.02 1 204 45 45 LEU CA C 54.914 0.25 1 205 45 45 LEU CB C 42.706 0.25 1 206 45 45 LEU N N 123.173 0.11 1 207 46 46 SER H H 8.540 0.02 1 208 46 46 SER C C 173.303 0.02 1 209 46 46 SER CA C 56.112 0.25 1 210 46 46 SER CB C 63.607 0.25 1 211 46 46 SER N N 118.456 0.11 1 212 47 47 PRO C C 177.042 0.02 1 213 47 47 PRO CA C 63.811 0.25 1 214 47 47 PRO CB C 32.082 0.25 1 215 48 48 ASP H H 8.235 0.02 1 216 48 48 ASP C C 176.274 0.02 1 217 48 48 ASP CA C 54.914 0.25 1 218 48 48 ASP CB C 41.162 0.25 1 219 48 48 ASP N N 118.864 0.11 1 220 49 49 ASP H H 8.258 0.02 1 221 49 49 ASP C C 176.444 0.02 1 222 49 49 ASP CA C 54.548 0.25 1 223 49 49 ASP CB C 41.304 0.25 1 224 49 49 ASP N N 120.251 0.11 1 225 50 50 ILE H H 7.865 0.02 1 226 50 50 ILE C C 176.456 0.02 1 227 50 50 ILE CA C 61.698 0.25 1 228 50 50 ILE CB C 38.867 0.25 1 229 50 50 ILE N N 120.199 0.11 1 230 51 51 GLU H H 8.364 0.02 1 231 51 51 GLU C C 176.626 0.02 1 232 51 51 GLU CA C 57.128 0.25 1 233 51 51 GLU CB C 30.031 0.25 1 234 51 51 GLU N N 123.774 0.11 1 235 52 52 GLN H H 8.160 0.02 1 236 52 52 GLN C C 175.495 0.02 1 237 52 52 GLN CA C 55.889 0.25 1 238 52 52 GLN CB C 29.584 0.25 1 239 52 52 GLN N N 120.464 0.11 1 240 53 53 TRP H H 7.994 0.02 1 241 53 53 TRP C C 175.756 0.02 1 242 53 53 TRP CA C 57.087 0.25 1 243 53 53 TRP CB C 29.769 0.25 1 244 53 53 TRP N N 121.525 0.11 1 245 54 54 PHE H H 7.994 0.02 1 246 54 54 PHE C C 175.395 0.02 1 247 54 54 PHE CA C 57.554 0.25 1 248 54 54 PHE CB C 39.903 0.25 1 249 54 54 PHE N N 121.525 0.11 1 250 55 55 THR H H 8.003 0.02 1 251 55 55 THR C C 173.813 0.02 1 252 55 55 THR CA C 61.637 0.25 1 253 55 55 THR CB C 70.046 0.25 1 254 55 55 THR N N 116.350 0.11 1 255 56 56 GLU H H 8.324 0.02 1 256 56 56 GLU C C 175.788 0.02 1 257 56 56 GLU CA C 56.214 0.25 1 258 56 56 GLU CB C 30.721 0.25 1 259 56 56 GLU N N 123.403 0.11 1 260 57 57 ASP H H 8.462 0.02 1 261 57 57 ASP C C 174.499 0.02 1 262 57 57 ASP CA C 52.375 0.25 1 263 57 57 ASP CB C 41.182 0.25 1 264 57 57 ASP N N 123.466 0.11 1 265 58 58 PRO C C 177.382 0.02 1 266 58 58 PRO CA C 63.404 0.25 1 267 58 58 PRO CB C 32.326 0.25 1 268 59 59 GLY H H 8.416 0.02 1 269 59 59 GLY C C 172.231 0.02 1 270 59 59 GLY CA C 44.534 0.25 1 271 59 59 GLY N N 109.327 0.11 1 272 60 60 PRO C C 177.106 0.02 1 273 60 60 PRO CA C 63.506 0.25 1 274 60 60 PRO CB C 32.245 0.25 1 275 61 61 ASP H H 8.465 0.02 1 276 61 61 ASP C C 176.186 0.02 1 277 61 61 ASP CA C 54.487 0.25 1 278 61 61 ASP CB C 41.061 0.25 1 279 61 61 ASP N N 119.962 0.11 1 280 62 62 GLU H H 8.138 0.02 1 281 62 62 GLU C C 175.835 0.02 1 282 62 62 GLU CA C 56.153 0.25 1 283 62 62 GLU CB C 30.742 0.25 1 284 62 62 GLU N N 120.923 0.11 1 285 63 63 ALA H H 8.291 0.02 1 286 63 63 ALA C C 175.348 0.02 1 287 63 63 ALA CA C 50.709 0.25 1 288 63 63 ALA CB C 18.087 0.25 1 289 63 63 ALA N N 126.666 0.11 1 290 64 64 PRO C C 176.840 0.02 1 291 64 64 PRO CA C 62.990 0.25 1 292 64 64 PRO CB C 32.094 0.25 1 293 65 65 ARG H H 8.481 0.02 1 294 65 65 ARG C C 176.321 0.02 1 295 65 65 ARG CA C 55.848 0.25 1 296 65 65 ARG CB C 31.046 0.25 1 297 65 65 ARG N N 121.946 0.11 1 298 66 66 MET H H 8.510 0.02 1 299 66 66 MET C C 174.341 0.02 1 300 66 66 MET CA C 53.248 0.25 1 301 66 66 MET N N 123.408 0.11 1 302 67 67 PRO C C 174.841 0.02 1 303 67 67 PRO CA C 63.230 0.25 1 304 67 67 PRO CB C 32.188 0.25 1 305 68 68 GLU H H 8.545 0.02 1 306 68 68 GLU C C 176.309 0.02 1 307 68 68 GLU CA C 56.539 0.25 1 308 68 68 GLU CB C 30.437 0.25 1 309 68 68 GLU N N 121.294 0.11 1 310 69 69 ALA H H 8.329 0.02 1 311 69 69 ALA C C 176.971 0.02 1 312 69 69 ALA CA C 52.192 0.25 1 313 69 69 ALA CB C 19.509 0.25 1 314 69 69 ALA N N 125.714 0.11 1 315 70 70 ALA H H 8.283 0.02 1 316 70 70 ALA C C 175.020 0.02 1 317 70 70 ALA CA C 50.384 0.25 1 318 70 70 ALA CB C 18.209 0.25 1 319 70 70 ALA N N 125.138 0.11 1 320 72 72 PRO C C 176.872 0.02 1 321 72 72 PRO CA C 62.856 0.25 1 322 72 72 PRO CB C 32.062 0.25 1 323 73 73 VAL H H 8.180 0.02 1 324 73 73 VAL C C 175.659 0.02 1 325 73 73 VAL CA C 62.023 0.25 1 326 73 73 VAL CB C 33.017 0.25 1 327 73 73 VAL N N 120.485 0.11 1 328 74 74 ALA H H 8.409 0.02 1 329 74 74 ALA C C 175.290 0.02 1 330 74 74 ALA CA C 50.384 0.25 1 331 74 74 ALA CB C 18.331 0.25 1 332 74 74 ALA N N 129.660 0.11 1 333 78 78 ALA C C 177.165 0.02 1 334 79 79 ALA H H 8.300 0.02 1 335 79 79 ALA C C 175.548 0.02 1 336 79 79 ALA N N 124.942 0.11 1 337 80 80 PRO C C 176.872 0.02 1 338 80 80 PRO CA C 62.917 0.25 1 339 80 80 PRO CB C 32.082 0.25 1 340 81 81 THR H H 8.331 0.02 1 341 81 81 THR C C 172.975 0.02 1 342 81 81 THR CA C 59.890 0.25 1 343 81 81 THR CB C 69.945 0.25 1 344 81 81 THR N N 117.451 0.11 1 345 82 82 PRO C C 176.544 0.02 1 346 82 82 PRO CA C 63.039 0.25 1 347 82 82 PRO CB C 32.164 0.25 1 348 83 83 ALA H H 8.373 0.02 1 349 83 83 ALA C C 177.141 0.02 1 350 83 83 ALA CA C 52.212 0.25 1 351 83 83 ALA CB C 19.387 0.25 1 352 83 83 ALA N N 124.659 0.11 1 353 84 84 ALA H H 8.272 0.02 1 354 84 84 ALA C C 175.378 0.02 1 355 84 84 ALA CA C 50.384 0.25 1 356 84 84 ALA CB C 18.209 0.25 1 357 84 84 ALA N N 124.915 0.11 1 358 85 85 PRO C C 176.321 0.02 1 359 85 85 PRO CA C 62.734 0.25 1 360 85 85 PRO CB C 32.123 0.25 1 361 86 86 ALA H H 8.384 0.02 1 362 86 86 ALA C C 175.565 0.02 1 363 86 86 ALA CA C 50.425 0.25 1 364 86 86 ALA CB C 18.128 0.25 1 365 86 86 ALA N N 125.823 0.11 1 366 89 89 PRO C C 176.632 0.02 1 367 89 89 PRO CA C 63.039 0.25 1 368 89 89 PRO CB C 31.981 0.25 1 369 90 90 SER H H 8.143 0.02 1 370 90 90 SER C C 173.614 0.02 1 371 90 90 SER CA C 58.001 0.25 1 372 90 90 SER CB C 63.851 0.25 1 373 90 90 SER N N 115.753 0.11 1 374 91 91 TRP H H 8.042 0.02 1 375 91 91 TRP C C 174.218 0.02 1 376 91 91 TRP CA C 54.853 0.25 1 377 91 91 TRP CB C 29.300 0.25 1 378 91 91 TRP N N 123.906 0.11 1 379 92 92 PRO C C 175.946 0.02 1 380 92 92 PRO CA C 63.404 0.25 1 381 92 92 PRO CB C 31.879 0.25 1 382 93 93 LEU H H 7.841 0.02 1 383 93 93 LEU CA C 56.843 0.25 1 384 93 93 LEU CB C 43.539 0.25 1 385 93 93 LEU N N 128.380 0.11 1 stop_ save_