data_6974 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; human p23(1-160) ; _BMRB_accession_number 6974 _BMRB_flat_file_name bmr6974.str _Entry_type original _Submission_date 2006-02-07 _Accession_date 2006-02-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shift assignments for p23(1-119) and p23(1-160)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martinez-Yamout Maria A. . 2 Dyson H. Jane . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 148 "13C chemical shifts" 300 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-07 original author . stop_ _Original_release_date 2007-02-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Localization of sites of interaction between p23 and Hsp90 in solution' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16565516 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martinez-Yamout Maria A. . 2 Venkitakrishnan Rani P. . 3 Preece Nicholas E. . 4 Kroon Gerard . . 5 Wright Peter E. . 6 Dyson H. Jane . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14457 _Page_last 14464 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human p23(1-160)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human p23(1-160)' $p23(1-160) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'human p23(1-160)' stop_ loop_ _Biological_function co-chaperone stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p23(1-160) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'p23 co-chaperone, structured domain' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function co-chaperone stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; MQPASAKWYDRRDYVFIEFC VEDSKDVNVNFEKSKLTFSC LGGSDNFKHLNEIDLFHCID PNDSKHKRTDRSILCCLRKG ESGQSWPRLTKERAKLNWLS VDFNNWKDWEDDSDEDMSNF DRFSEMMNNMGGDEDVDLPE VDGADDDSQDSDDEKMPDLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 PRO 4 ALA 5 SER 6 ALA 7 LYS 8 TRP 9 TYR 10 ASP 11 ARG 12 ARG 13 ASP 14 TYR 15 VAL 16 PHE 17 ILE 18 GLU 19 PHE 20 CYS 21 VAL 22 GLU 23 ASP 24 SER 25 LYS 26 ASP 27 VAL 28 ASN 29 VAL 30 ASN 31 PHE 32 GLU 33 LYS 34 SER 35 LYS 36 LEU 37 THR 38 PHE 39 SER 40 CYS 41 LEU 42 GLY 43 GLY 44 SER 45 ASP 46 ASN 47 PHE 48 LYS 49 HIS 50 LEU 51 ASN 52 GLU 53 ILE 54 ASP 55 LEU 56 PHE 57 HIS 58 CYS 59 ILE 60 ASP 61 PRO 62 ASN 63 ASP 64 SER 65 LYS 66 HIS 67 LYS 68 ARG 69 THR 70 ASP 71 ARG 72 SER 73 ILE 74 LEU 75 CYS 76 CYS 77 LEU 78 ARG 79 LYS 80 GLY 81 GLU 82 SER 83 GLY 84 GLN 85 SER 86 TRP 87 PRO 88 ARG 89 LEU 90 THR 91 LYS 92 GLU 93 ARG 94 ALA 95 LYS 96 LEU 97 ASN 98 TRP 99 LEU 100 SER 101 VAL 102 ASP 103 PHE 104 ASN 105 ASN 106 TRP 107 LYS 108 ASP 109 TRP 110 GLU 111 ASP 112 ASP 113 SER 114 ASP 115 GLU 116 ASP 117 MET 118 SER 119 ASN 120 PHE 121 ASP 122 ARG 123 PHE 124 SER 125 GLU 126 MET 127 MET 128 ASN 129 ASN 130 MET 131 GLY 132 GLY 133 ASP 134 GLU 135 ASP 136 VAL 137 ASP 138 LEU 139 PRO 140 GLU 141 VAL 142 ASP 143 GLY 144 ALA 145 ASP 146 ASP 147 ASP 148 SER 149 GLN 150 ASP 151 SER 152 ASP 153 ASP 154 GLU 155 LYS 156 MET 157 PRO 158 ASP 159 LEU 160 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 6973 p23(1-119) 74.38 119 100.00 100.00 6.43e-81 PDB 1EJF "Crystal Structure Of The Human Co-Chaperone P23" 78.13 125 100.00 100.00 2.71e-85 DBJ BAA84684 "Sid3177p [Mus musculus]" 100.00 160 98.75 100.00 1.44e-109 DBJ BAB25906 "unnamed protein product [Mus musculus]" 100.00 160 98.13 100.00 5.06e-109 DBJ BAC36062 "unnamed protein product [Mus musculus]" 100.00 160 98.75 100.00 1.44e-109 DBJ BAC36099 "unnamed protein product [Mus musculus]" 100.00 160 98.75 100.00 1.44e-109 DBJ BAC36854 "unnamed protein product [Mus musculus]" 100.00 160 98.75 100.00 1.44e-109 EMBL CAI29639 "hypothetical protein [Pongo abelii]" 100.00 160 100.00 100.00 4.08e-111 GB AAA18537 "p23 [Homo sapiens]" 100.00 160 100.00 100.00 4.08e-111 GB AAD39543 "telomerase binding protein p23 [Mus musculus]" 100.00 160 97.50 98.75 5.15e-107 GB AAH03005 "Prostaglandin E synthase 3 (cytosolic) [Homo sapiens]" 100.00 160 100.00 100.00 4.08e-111 GB AAH03708 "Prostaglandin E synthase 3 (cytosolic) [Mus musculus]" 100.00 160 98.75 100.00 1.44e-109 GB AAH85264 "Prostaglandin E synthase 3 (cytosolic) [Mus musculus]" 100.00 160 98.75 100.00 1.44e-109 REF NP_001007807 "prostaglandin E synthase 3 [Bos taurus]" 100.00 160 100.00 100.00 4.08e-111 REF NP_001124461 "prostaglandin E synthase 3 [Rattus norvegicus]" 100.00 160 98.75 100.00 1.44e-109 REF NP_001127087 "prostaglandin E synthase 3 [Pongo abelii]" 100.00 160 100.00 100.00 4.08e-111 REF NP_001233331 "prostaglandin E synthase 3 [Pan troglodytes]" 100.00 160 100.00 100.00 4.08e-111 REF NP_001248443 "prostaglandin E synthase 3 [Macaca mulatta]" 100.00 160 100.00 100.00 4.08e-111 SP P83868 "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES; AltName: Full=Hsp90 c" 100.00 160 98.75 100.00 1.44e-109 SP Q15185 "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES; AltName: Full=Hsp90 c" 100.00 160 100.00 100.00 4.08e-111 SP Q3ZBF7 "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES [Bos taurus]" 100.00 160 100.00 100.00 4.08e-111 SP Q5NVM4 "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES [Pongo abelii]" 100.00 160 100.00 100.00 4.08e-111 SP Q6PWL5 "RecName: Full=Prostaglandin E synthase 3; AltName: Full=Cytosolic prostaglandin E2 synthase; Short=cPGES [Macaca fascicularis]" 100.00 160 100.00 100.00 4.08e-111 TPG DAA29745 "TPA: prostaglandin E synthase 3 [Bos taurus]" 100.00 160 100.00 100.00 4.08e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p23(1-160) 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 $p23(1-160) 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) . 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 $p23(1-160) 3 mM 2.5 3.5 '[U-15N; U-13C]' Tris 10 mM 0.9 1.1 . KCl 50 mM 45 55 . MgCl2 8 mM 7 9 . DTT 2 mM 1.5 2.5 . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'human p23(1-160)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 PRO CA C 62.660 0.05 . 2 3 3 PRO CB C 31.004 0.05 . 3 4 4 ALA H H 9.588 0.05 . 4 4 4 ALA CA C 51.557 0.05 . 5 4 4 ALA CB C 19.571 0.05 . 6 4 4 ALA N N 127.310 0.05 . 7 5 5 SER H H 8.642 0.05 . 8 5 5 SER CA C 59.422 0.05 . 9 5 5 SER CB C 63.982 0.05 . 10 5 5 SER N N 115.991 0.05 . 11 6 6 ALA H H 9.588 0.05 . 12 6 6 ALA CA C 50.566 0.05 . 13 6 6 ALA CB C 24.659 0.05 . 14 6 6 ALA N N 125.513 0.05 . 15 7 7 LYS H H 8.785 0.05 . 16 7 7 LYS CA C 53.474 0.05 . 17 7 7 LYS CB C 36.621 0.05 . 18 7 7 LYS N N 119.494 0.05 . 19 8 8 TRP H H 8.365 0.05 . 20 8 8 TRP CA C 55.523 0.05 . 21 8 8 TRP CB C 33.846 0.05 . 22 8 8 TRP N N 119.045 0.05 . 23 9 9 TYR H H 8.987 0.05 . 24 9 9 TYR CA C 57.373 0.05 . 25 9 9 TYR CB C 38.009 0.05 . 26 9 9 TYR N N 113.565 0.05 . 27 10 10 ASP H H 7.630 0.05 . 28 10 10 ASP CA C 53.120 0.05 . 29 10 10 ASP CB C 46.072 0.05 . 30 10 10 ASP N N 118.506 0.05 . 31 11 11 ARG H H 8.620 0.05 . 32 11 11 ARG CA C 52.417 0.05 . 33 11 11 ARG CB C 34.242 0.05 . 34 11 11 ARG N N 124.435 0.05 . 35 12 12 ARG H H 8.012 0.05 . 36 12 12 ARG CA C 60.482 0.05 . 37 12 12 ARG CB C 30.215 0.05 . 38 12 12 ARG N N 121.830 0.05 . 39 13 13 ASP H H 8.475 0.05 . 40 13 13 ASP CA C 54.267 0.05 . 41 13 13 ASP CB C 43.164 0.05 . 42 13 13 ASP N N 111.036 0.05 . 43 14 14 TYR H H 6.527 0.05 . 44 14 14 TYR CA C 56.382 0.05 . 45 14 14 TYR CB C 44.882 0.05 . 46 14 14 TYR N N 115.452 0.05 . 47 15 15 VAL H H 8.755 0.05 . 48 15 15 VAL CA C 61.338 0.05 . 49 15 15 VAL CB C 34.374 0.05 . 50 15 15 VAL N N 120.123 0.05 . 51 16 16 PHE H H 8.710 0.05 . 52 16 16 PHE CA C 56.448 0.05 . 53 16 16 PHE CB C 41.314 0.05 . 54 16 16 PHE N N 125.243 0.05 . 55 17 17 ILE H H 8.455 0.05 . 56 17 17 ILE CA C 59.951 0.05 . 57 17 17 ILE CB C 42.635 0.05 . 58 17 17 ILE N N 118.147 0.05 . 59 18 18 GLU H H 9.490 0.05 . 60 18 18 GLU CA C 53.804 0.05 . 61 18 18 GLU CB C 32.326 0.05 . 62 18 18 GLU N N 130.274 0.05 . 63 19 19 PHE H H 9.468 0.05 . 64 19 19 PHE CA C 57.704 0.05 . 65 19 19 PHE CB C 40.454 0.05 . 66 19 19 PHE N N 124.884 0.05 . 67 20 20 CYS H H 9.122 0.05 . 68 20 20 CYS CA C 59.544 0.05 . 69 20 20 CYS CB C 25.849 0.05 . 70 20 20 CYS N N 126.771 0.05 . 71 21 21 VAL H H 7.187 0.05 . 72 21 21 VAL CA C 60.876 0.05 . 73 21 21 VAL CB C 34.440 0.05 . 74 21 21 VAL N N 123.537 0.05 . 75 22 22 GLU H H 8.687 0.05 . 76 22 22 GLU CA C 55.721 0.05 . 77 22 22 GLU CB C 30.673 0.05 . 78 22 22 GLU N N 127.579 0.05 . 79 23 23 ASP H H 9.265 0.05 . 80 23 23 ASP CA C 55.126 0.05 . 81 23 23 ASP CB C 39.595 0.05 . 82 23 23 ASP N N 120.752 0.05 . 83 24 24 SER H H 8.260 0.05 . 84 24 24 SER CA C 59.422 0.05 . 85 24 24 SER CB C 65.238 0.05 . 86 24 24 SER N N 112.467 0.05 . 87 25 25 LYS H H 9.032 0.05 . 88 25 25 LYS CA C 54.531 0.05 . 89 25 25 LYS CB C 35.828 0.05 . 90 25 25 LYS N N 119.314 0.05 . 91 26 26 ASP H H 8.890 0.05 . 92 26 26 ASP CA C 54.796 0.05 . 93 26 26 ASP CB C 38.934 0.05 . 94 26 26 ASP N N 121.111 0.05 . 95 27 27 VAL H H 8.080 0.05 . 96 27 27 VAL CA C 63.718 0.05 . 97 27 27 VAL CB C 31.599 0.05 . 98 27 27 VAL N N 117.697 0.05 . 99 28 28 ASN H H 8.867 0.05 . 100 28 28 ASN CA C 52.813 0.05 . 101 28 28 ASN CB C 41.578 0.05 . 102 28 28 ASN N N 128.477 0.05 . 103 29 29 VAL H H 8.207 0.05 . 104 29 29 VAL CA C 60.810 0.05 . 105 29 29 VAL CB C 33.647 0.05 . 106 29 29 VAL N N 123.986 0.05 . 107 30 30 ASN H H 8.740 0.05 . 108 30 30 ASN CA C 51.888 0.05 . 109 30 30 ASN CB C 41.049 0.05 . 110 30 30 ASN N N 124.974 0.05 . 111 31 31 PHE H H 8.905 0.05 . 112 31 31 PHE CA C 56.778 0.05 . 113 31 31 PHE CB C 40.454 0.05 . 114 31 31 PHE N N 124.794 0.05 . 115 32 32 GLU H H 8.755 0.05 . 116 32 32 GLU CA C 54.664 0.05 . 117 32 32 GLU CB C 33.383 0.05 . 118 32 32 GLU N N 122.818 0.05 . 119 33 33 LYS H H 8.560 0.05 . 120 33 33 LYS CA C 60.215 0.05 . 121 33 33 LYS CB C 32.788 0.05 . 122 33 33 LYS N N 117.248 0.05 . 123 34 34 SER H H 8.087 0.05 . 124 34 34 SER CA C 56.844 0.05 . 125 34 34 SER CB C 64.775 0.05 . 126 34 34 SER N N 128.857 0.05 . 127 35 35 LYS H H 7.457 0.05 . 128 35 35 LYS CA C 55.919 0.05 . 129 35 35 LYS CB C 37.547 0.05 . 130 35 35 LYS N N 123.716 0.05 . 131 36 36 LEU H H 8.777 0.05 . 132 36 36 LEU CA C 53.804 0.05 . 133 36 36 LEU CB C 46.931 0.05 . 134 36 36 LEU N N 124.794 0.05 . 135 37 37 THR H H 8.402 0.05 . 136 37 37 THR CA C 62.198 0.05 . 137 37 37 THR CB C 70.128 0.05 . 138 37 37 THR N N 121.111 0.05 . 139 38 38 PHE H H 9.047 0.05 . 140 38 38 PHE CA C 55.390 0.05 . 141 38 38 PHE CB C 43.495 0.05 . 142 38 38 PHE N N 129.286 0.05 . 143 39 39 SER H H 8.057 0.05 . 144 39 39 SER CA C 56.447 0.05 . 145 39 39 SER CB C 66.427 0.05 . 146 39 39 SER N N 119.764 0.05 . 147 40 40 CYS H H 7.900 0.05 . 148 40 40 CYS CA C 56.712 0.05 . 149 40 40 CYS CB C 30.145 0.05 . 150 40 40 CYS N N 111.229 0.05 . 151 41 41 LEU H H 8.627 0.05 . 152 41 41 LEU CA C 53.342 0.05 . 153 41 41 LEU CB C 44.354 0.05 . 154 41 41 LEU N N 118.775 0.05 . 155 42 42 GLY H H 9.302 0.05 . 156 42 42 GLY CA C 45.543 0.05 . 157 42 42 GLY N N 109.433 0.05 . 158 43 43 GLY H H 7.990 0.05 . 159 43 43 GLY CA C 46.072 0.05 . 160 43 43 GLY N N 109.073 0.05 . 161 44 44 SER H H 8.590 0.05 . 162 44 44 SER CA C 59.884 0.05 . 163 44 44 SER CB C 63.387 0.05 . 164 44 44 SER N N 115.092 0.05 . 165 45 45 ASP H H 8.095 0.05 . 166 45 45 ASP CA C 53.804 0.05 . 167 45 45 ASP CB C 40.851 0.05 . 168 45 45 ASP N N 118.326 0.05 . 169 46 46 ASN H H 7.937 0.05 . 170 46 46 ASN CA C 54.399 0.05 . 171 46 46 ASN CB C 37.348 0.05 . 172 46 46 ASN N N 116.080 0.05 . 173 47 47 PHE H H 8.065 0.05 . 174 47 47 PHE CA C 57.373 0.05 . 175 47 47 PHE CB C 39.728 0.05 . 176 47 47 PHE N N 118.955 0.05 . 177 48 48 LYS H H 8.125 0.05 . 178 48 48 LYS CA C 56.580 0.05 . 179 48 48 LYS CB C 33.317 0.05 . 180 48 48 LYS N N 123.986 0.05 . 181 49 49 HIS H H 8.852 0.05 . 182 49 49 HIS CA C 54.497 0.05 . 183 49 49 HIS N N 122.369 0.05 . 184 50 50 LEU H H 7.478 0.05 . 185 50 50 LEU CA C 54.730 0.05 . 186 50 50 LEU CB C 45.940 0.05 . 187 50 50 LEU N N 111.538 0.05 . 188 51 51 ASN H H 9.550 0.05 . 189 51 51 ASN CA C 52.483 0.05 . 190 51 51 ASN CB C 40.190 0.05 . 191 51 51 ASN N N 123.716 0.05 . 192 52 52 GLU H H 8.905 0.05 . 193 52 52 GLU CA C 55.457 0.05 . 194 52 52 GLU CB C 32.193 0.05 . 195 52 52 GLU N N 124.435 0.05 . 196 53 53 ILE H H 9.070 0.05 . 197 53 53 ILE CA C 60.678 0.05 . 198 53 53 ILE CB C 41.578 0.05 . 199 53 53 ILE N N 122.998 0.05 . 200 54 54 ASP H H 9.010 0.05 . 201 54 54 ASP CA C 54.201 0.05 . 202 54 54 ASP CB C 40.851 0.05 . 203 54 54 ASP N N 128.567 0.05 . 204 55 55 LEU H H 7.945 0.05 . 205 55 55 LEU CA C 55.192 0.05 . 206 55 55 LEU CB C 44.089 0.05 . 207 55 55 LEU N N 126.290 0.05 . 208 56 56 PHE H H 7.810 0.05 . 209 56 56 PHE CA C 61.074 0.05 . 210 56 56 PHE CB C 39.728 0.05 . 211 56 56 PHE N N 120.303 0.05 . 212 57 57 HIS H H 6.002 0.05 . 213 57 57 HIS CA C 52.813 0.05 . 214 57 57 HIS CB C 34.044 0.05 . 215 57 57 HIS N N 113.026 0.05 . 216 58 58 CYS H H 7.877 0.05 . 217 58 58 CYS CA C 58.364 0.05 . 218 58 58 CYS CB C 29.087 0.05 . 219 58 58 CYS N N 112.936 0.05 . 220 59 59 ILE H H 9.483 0.05 . 221 59 59 ILE CA C 59.224 0.05 . 222 59 59 ILE CB C 42.305 0.05 . 223 59 59 ILE N N 116.799 0.05 . 224 60 60 ASP H H 8.545 0.05 . 225 60 60 ASP N N 118.236 0.05 . 226 61 61 PRO CA C 64.709 0.05 . 227 61 61 PRO CB C 32.987 0.05 . 228 62 62 ASN H H 8.065 0.05 . 229 62 62 ASN CA C 55.258 0.05 . 230 62 62 ASN CB C 38.472 0.05 . 231 62 62 ASN N N 113.475 0.05 . 232 63 63 ASP H H 7.007 0.05 . 233 63 63 ASP CA C 53.143 0.05 . 234 63 63 ASP CB C 42.371 0.05 . 235 63 63 ASP N N 118.147 0.05 . 236 64 64 SER H H 6.745 0.05 . 237 64 64 SER CA C 58.695 0.05 . 238 64 64 SER CB C 63.387 0.05 . 239 64 64 SER N N 115.272 0.05 . 240 65 65 LYS H H 8.672 0.05 . 241 65 65 LYS CA C 55.547 0.05 . 242 65 65 LYS CB C 37.129 0.05 . 243 65 65 LYS N N 120.931 0.05 . 244 66 66 HIS H H 8.556 0.05 . 245 66 66 HIS CA C 54.746 0.05 . 246 66 66 HIS CB C 36.081 0.05 . 247 66 66 HIS N N 117.810 0.05 . 248 67 67 LYS H H 9.251 0.05 . 249 67 67 LYS CA C 55.457 0.05 . 250 67 67 LYS CB C 36.423 0.05 . 251 67 67 LYS N N 120.753 0.05 . 252 68 68 ARG H H 9.235 0.05 . 253 68 68 ARG CA C 56.184 0.05 . 254 68 68 ARG CB C 31.731 0.05 . 255 68 68 ARG N N 128.208 0.05 . 256 69 69 THR H H 9.280 0.05 . 257 69 69 THR CA C 60.271 0.05 . 258 69 69 THR CB C 71.913 0.05 . 259 69 69 THR N N 119.943 0.05 . 260 70 70 ASP H H 8.927 0.05 . 261 70 70 ASP CA C 56.977 0.05 . 262 70 70 ASP CB C 40.322 0.05 . 263 70 70 ASP N N 118.147 0.05 . 264 71 71 ARG H H 8.140 0.05 . 265 71 71 ARG CA C 56.911 0.05 . 266 71 71 ARG CB C 32.392 0.05 . 267 71 71 ARG N N 117.158 0.05 . 268 72 72 SER H H 7.600 0.05 . 269 72 72 SER CA C 57.836 0.05 . 270 72 72 SER CB C 64.709 0.05 . 271 72 72 SER N N 109.792 0.05 . 272 73 73 ILE H H 8.770 0.05 . 273 73 73 ILE CA C 61.801 0.05 . 274 73 73 ILE CB C 41.380 0.05 . 275 73 73 ILE N N 118.147 0.05 . 276 74 74 LEU H H 9.040 0.05 . 277 74 74 LEU CA C 54.003 0.05 . 278 74 74 LEU CB C 44.684 0.05 . 279 74 74 LEU N N 128.927 0.05 . 280 75 75 CYS H H 9.828 0.05 . 281 75 75 CYS CA C 58.100 0.05 . 282 75 75 CYS CB C 30.145 0.05 . 283 75 75 CYS N N 122.908 0.05 . 284 76 76 CYS H H 9.205 0.05 . 285 76 76 CYS CA C 56.778 0.05 . 286 76 76 CYS CB C 27.898 0.05 . 287 76 76 CYS N N 123.896 0.05 . 288 77 77 LEU H H 9.430 0.05 . 289 77 77 LEU CA C 53.077 0.05 . 290 77 77 LEU CB C 41.248 0.05 . 291 77 77 LEU N N 127.579 0.05 . 292 78 78 ARG H H 7.690 0.05 . 293 78 78 ARG CA C 54.333 0.05 . 294 78 78 ARG CB C 29.946 0.05 . 295 78 78 ARG N N 124.794 0.05 . 296 79 79 LYS H H 8.222 0.05 . 297 79 79 LYS CA C 58.827 0.05 . 298 79 79 LYS CB C 33.912 0.05 . 299 79 79 LYS N N 128.298 0.05 . 300 80 80 GLY H H 8.830 0.05 . 301 80 80 GLY CA C 46.270 0.05 . 302 80 80 GLY N N 110.960 0.05 . 303 81 81 GLU H H 7.750 0.05 . 304 81 81 GLU CA C 54.597 0.05 . 305 81 81 GLU CB C 30.739 0.05 . 306 81 81 GLU N N 118.686 0.05 . 307 82 82 SER H H 8.500 0.05 . 308 82 82 SER CA C 58.232 0.05 . 309 82 82 SER CB C 64.114 0.05 . 310 82 82 SER N N 120.392 0.05 . 311 83 83 GLY H H 8.425 0.05 . 312 83 83 GLY CA C 46.469 0.05 . 313 83 83 GLY N N 111.948 0.05 . 314 84 84 GLN H H 7.187 0.05 . 315 84 84 GLN CA C 54.730 0.05 . 316 84 84 GLN CB C 30.409 0.05 . 317 84 84 GLN N N 118.416 0.05 . 318 85 85 SER H H 9.265 0.05 . 319 85 85 SER CA C 59.091 0.05 . 320 85 85 SER CB C 63.123 0.05 . 321 85 85 SER N N 125.522 0.05 . 322 86 86 TRP H H 9.513 0.05 . 323 86 86 TRP N N 128.567 0.05 . 324 87 87 PRO CA C 63.163 0.05 . 325 87 87 PRO CB C 31.731 0.05 . 326 88 88 ARG H H 7.112 0.05 . 327 88 88 ARG CA C 53.804 0.05 . 328 88 88 ARG CB C 31.665 0.05 . 329 88 88 ARG N N 113.026 0.05 . 330 89 89 LEU H H 7.990 0.05 . 331 89 89 LEU CA C 55.655 0.05 . 332 89 89 LEU CB C 42.503 0.05 . 333 89 89 LEU N N 117.877 0.05 . 334 90 90 THR H H 6.685 0.05 . 335 90 90 THR CA C 58.761 0.05 . 336 90 90 THR CB C 70.723 0.05 . 337 90 90 THR N N 124.794 0.05 . 338 91 91 LYS H H 7.862 0.05 . 339 91 91 LYS CA C 59.884 0.05 . 340 91 91 LYS CB C 32.590 0.05 . 341 91 91 LYS N N 122.189 0.05 . 342 92 92 GLU H H 8.800 0.05 . 343 92 92 GLU CA C 55.060 0.05 . 344 92 92 GLU CB C 30.541 0.05 . 345 92 92 GLU N N 117.338 0.05 . 346 93 93 ARG H H 8.725 0.05 . 347 93 93 ARG CA C 56.646 0.05 . 348 93 93 ARG CB C 29.880 0.05 . 349 93 93 ARG N N 122.279 0.05 . 350 94 94 ALA H H 7.450 0.05 . 351 94 94 ALA CA C 51.954 0.05 . 352 94 94 ALA CB C 20.231 0.05 . 353 94 94 ALA N N 124.884 0.05 . 354 95 95 LYS H H 8.462 0.05 . 355 95 95 LYS CA C 56.117 0.05 . 356 95 95 LYS CB C 32.548 0.05 . 357 95 95 LYS N N 123.087 0.05 . 358 96 96 LEU H H 8.410 0.05 . 359 96 96 LEU N N 126.771 0.05 . 360 97 97 ASN CA C 55.787 0.05 . 361 97 97 ASN CB C 37.943 0.05 . 362 98 98 TRP H H 6.857 0.05 . 363 98 98 TRP CA C 54.069 0.05 . 364 98 98 TRP CB C 29.352 0.05 . 365 98 98 TRP N N 112.756 0.05 . 366 99 99 LEU H H 6.895 0.05 . 367 99 99 LEU CA C 53.606 0.05 . 368 99 99 LEU CB C 44.552 0.05 . 369 99 99 LEU N N 124.435 0.05 . 370 100 100 SER H H 8.755 0.05 . 371 100 100 SER CA C 56.624 0.05 . 372 100 100 SER CB C 66.229 0.05 . 373 100 100 SER N N 120.931 0.05 . 374 101 101 VAL H H 8.327 0.05 . 375 101 101 VAL CA C 62.792 0.05 . 376 101 101 VAL CB C 32.524 0.05 . 377 101 101 VAL N N 122.279 0.05 . 378 102 102 ASP H H 8.755 0.05 . 379 102 102 ASP CA C 52.020 0.05 . 380 102 102 ASP CB C 40.372 0.05 . 381 102 102 ASP N N 124.076 0.05 . 382 103 103 PHE H H 7.907 0.05 . 383 103 103 PHE CA C 61.008 0.05 . 384 103 103 PHE CB C 38.670 0.05 . 385 103 103 PHE N N 124.974 0.05 . 386 104 104 ASN H H 8.037 0.05 . 387 104 104 ASN CA C 55.324 0.05 . 388 104 104 ASN CB C 38.538 0.05 . 389 104 104 ASN N N 115.811 0.05 . 390 105 105 ASN H H 6.925 0.05 . 391 105 105 ASN CA C 52.879 0.05 . 392 105 105 ASN CB C 39.661 0.05 . 393 105 105 ASN N N 114.463 0.05 . 394 106 106 TRP H H 7.772 0.05 . 395 106 106 TRP CA C 58.497 0.05 . 396 106 106 TRP CB C 28.630 0.05 . 397 106 106 TRP N N 123.896 0.05 . 398 107 107 LYS H H 8.042 0.05 . 399 107 107 LYS CA C 55.258 0.05 . 400 107 107 LYS CB C 36.159 0.05 . 401 107 107 LYS N N 127.310 0.05 . 402 108 108 ASP H H 8.462 0.05 . 403 108 108 ASP CA C 53.542 0.05 . 404 108 108 ASP CB C 39.860 0.05 . 405 108 108 ASP N N 122.818 0.05 . 406 109 109 TRP H H 7.367 0.05 . 407 109 109 TRP CA C 56.580 0.05 . 408 109 109 TRP CB C 29.682 0.05 . 409 109 109 TRP N N 121.740 0.05 . 410 110 110 GLU H H 8.080 0.05 . 411 110 110 GLU CA C 58.437 0.05 . 412 110 110 GLU CB C 29.833 0.05 . 413 110 110 GLU N N 122.279 0.05 . 414 111 111 ASP H H 7.939 0.05 . 415 111 111 ASP CA C 54.404 0.05 . 416 111 111 ASP CB C 41.146 0.05 . 417 111 111 ASP N N 119.244 0.05 . 418 112 112 ASP H H 8.003 0.05 . 419 112 112 ASP CA C 54.201 0.05 . 420 112 112 ASP CB C 41.380 0.05 . 421 112 112 ASP N N 120.731 0.05 . 422 113 113 SER H H 8.357 0.05 . 423 113 113 SER CA C 58.761 0.05 . 424 113 113 SER CB C 64.114 0.05 . 425 113 113 SER N N 116.440 0.05 . 426 114 114 ASP H H 8.395 0.05 . 427 114 114 ASP CA C 54.613 0.05 . 428 114 114 ASP CB C 41.304 0.05 . 429 114 114 ASP N N 122.638 0.05 . 430 115 115 GLU H H 8.440 0.05 . 431 115 115 GLU CA C 56.744 0.05 . 432 115 115 GLU CB C 30.481 0.05 . 433 115 115 GLU N N 120.543 0.05 . 434 116 116 ASP H H 8.364 0.05 . 435 116 116 ASP CA C 54.434 0.05 . 436 116 116 ASP CB C 41.137 0.05 . 437 116 116 ASP N N 121.723 0.05 . 438 117 117 MET CA C 55.457 0.05 . 439 117 117 MET CB C 32.193 0.05 . 440 118 118 SER H H 8.395 0.05 . 441 118 118 SER CA C 60.087 0.05 . 442 118 118 SER CB C 63.426 0.05 . 443 118 118 SER N N 116.799 0.05 . 444 119 119 ASN H H 8.222 0.05 . 445 119 119 ASN CA C 54.012 0.05 . 446 119 119 ASN CB C 38.612 0.05 . 447 119 119 ASN N N 119.584 0.05 . 448 120 120 PHE H H 8.001 0.05 . 449 120 120 PHE CA C 58.917 0.05 . 450 120 120 PHE CB C 39.527 0.05 . 451 120 120 PHE N N 120.222 0.05 . 452 121 121 ASP H H 8.267 0.05 . 453 121 121 ASP CA C 55.258 0.05 . 454 121 121 ASP CB C 40.719 0.05 . 455 121 121 ASP N N 121.361 0.05 . 456 122 122 ARG H H 7.967 0.05 . 457 122 122 ARG CA C 57.043 0.05 . 458 122 122 ARG CB C 30.145 0.05 . 459 122 122 ARG N N 119.943 0.05 . 460 123 123 PHE H H 7.997 0.05 . 461 123 123 PHE CA C 59.025 0.05 . 462 123 123 PHE CB C 39.133 0.05 . 463 123 123 PHE N N 119.584 0.05 . 464 124 124 SER H H 7.982 0.05 . 465 124 124 SER CA C 59.792 0.05 . 466 124 124 SER CB C 63.484 0.05 . 467 124 124 SER N N 115.631 0.05 . 468 125 125 GLU H H 8.192 0.05 . 469 125 125 GLU CA C 57.417 0.05 . 470 125 125 GLU CB C 29.969 0.05 . 471 125 125 GLU N N 121.740 0.05 . 472 127 127 MET H H 8.063 0.05 . 473 127 127 MET CA C 55.721 0.05 . 474 127 127 MET CB C 32.458 0.05 . 475 127 127 MET N N 119.525 0.05 . 476 128 128 ASN H H 8.215 0.05 . 477 128 128 ASN CA C 53.540 0.05 . 478 128 128 ASN CB C 38.934 0.05 . 479 128 128 ASN N N 118.955 0.05 . 480 129 129 ASN H H 8.297 0.05 . 481 129 129 ASN CA C 53.408 0.05 . 482 129 129 ASN CB C 38.868 0.05 . 483 129 129 ASN N N 118.955 0.05 . 484 130 130 MET H H 8.290 0.05 . 485 130 130 MET CA C 55.721 0.05 . 486 130 130 MET CB C 32.722 0.05 . 487 130 130 MET N N 120.213 0.05 . 488 131 131 GLY H H 8.402 0.05 . 489 131 131 GLY CA C 45.345 0.05 . 490 131 131 GLY N N 109.612 0.05 . 491 132 132 GLY H H 8.305 0.05 . 492 132 132 GLY CA C 45.400 0.05 . 493 132 132 GLY N N 108.983 0.05 . 494 133 133 ASP H H 8.327 0.05 . 495 133 133 ASP CA C 54.498 0.05 . 496 133 133 ASP CB C 41.213 0.05 . 497 133 133 ASP N N 120.392 0.05 . 498 134 134 GLU H H 8.260 0.05 . 499 134 134 GLU CA C 56.643 0.05 . 500 134 134 GLU CB C 30.212 0.05 . 501 134 134 GLU N N 120.931 0.05 . 502 135 135 ASP CA C 54.333 0.05 . 503 135 135 ASP CB C 41.115 0.05 . 504 136 136 VAL H H 7.945 0.05 . 505 136 136 VAL CA C 61.736 0.05 . 506 136 136 VAL CB C 33.119 0.05 . 507 136 136 VAL N N 119.314 0.05 . 508 137 137 ASP H H 8.342 0.05 . 509 137 137 ASP CA C 54.223 0.05 . 510 137 137 ASP CB C 41.270 0.05 . 511 137 137 ASP N N 124.165 0.05 . 512 138 138 LEU H H 7.772 0.05 . 513 138 138 LEU CA C 52.658 0.05 . 514 138 138 LEU CB C 43.398 0.05 . 515 138 138 LEU N N 121.470 0.05 . 516 139 139 PRO CA C 62.858 0.05 . 517 139 139 PRO CB C 32.127 0.05 . 518 140 140 GLU H H 8.440 0.05 . 519 140 140 GLU CA C 56.538 0.05 . 520 140 140 GLU CB C 30.382 0.05 . 521 140 140 GLU N N 121.381 0.05 . 522 141 141 VAL H H 8.177 0.05 . 523 141 141 VAL CA C 61.933 0.05 . 524 141 141 VAL CB C 33.053 0.05 . 525 141 141 VAL N N 121.201 0.05 . 526 142 142 ASP H H 8.425 0.05 . 527 142 142 ASP CA C 54.465 0.05 . 528 142 142 ASP CB C 41.512 0.05 . 529 142 142 ASP N N 124.615 0.05 . 530 143 143 GLY H H 8.335 0.05 . 531 143 143 GLY CA C 45.525 0.05 . 532 143 143 GLY N N 110.061 0.05 . 533 144 144 ALA H H 8.162 0.05 . 534 144 144 ALA CA C 52.417 0.05 . 535 144 144 ALA CB C 19.504 0.05 . 536 144 144 ALA N N 123.806 0.05 . 537 145 145 ASP H H 8.327 0.05 . 538 145 145 ASP CA C 54.285 0.05 . 539 145 145 ASP CB C 41.082 0.05 . 540 145 145 ASP N N 119.764 0.05 . 541 146 146 ASP H H 8.230 0.05 . 542 146 146 ASP CA C 54.399 0.05 . 543 146 146 ASP CB C 41.380 0.05 . 544 146 146 ASP N N 120.662 0.05 . 545 147 147 ASP H H 8.325 0.05 . 546 147 147 ASP CA C 54.462 0.05 . 547 147 147 ASP CB C 41.144 0.05 . 548 147 147 ASP N N 121.469 0.05 . 549 148 148 SER H H 8.237 0.05 . 550 148 148 SER CA C 58.893 0.05 . 551 148 148 SER CB C 63.853 0.05 . 552 148 148 SER N N 116.260 0.05 . 553 149 149 GLN H H 8.350 0.05 . 554 149 149 GLN CA C 55.824 0.05 . 555 149 149 GLN CB C 29.467 0.05 . 556 149 149 GLN N N 121.920 0.05 . 557 150 150 ASP H H 8.350 0.05 . 558 150 150 ASP CA C 54.531 0.05 . 559 150 150 ASP CB C 41.314 0.05 . 560 150 150 ASP N N 121.920 0.05 . 561 151 151 SER H H 8.260 0.05 . 562 151 151 SER CA C 58.166 0.05 . 563 151 151 SER CB C 64.114 0.05 . 564 151 151 SER N N 116.080 0.05 . 565 152 152 ASP H H 8.425 0.05 . 566 152 152 ASP CA C 54.536 0.05 . 567 152 152 ASP CB C 41.145 0.05 . 568 152 152 ASP N N 122.818 0.05 . 569 153 153 ASP H H 8.140 0.05 . 570 153 153 ASP CA C 52.971 0.05 . 571 153 153 ASP CB C 41.896 0.05 . 572 153 153 ASP N N 124.165 0.05 . 573 154 154 GLU CA C 56.646 0.05 . 574 154 154 GLU CB C 30.211 0.05 . 575 155 155 LYS H H 8.170 0.05 . 576 155 155 LYS CA C 55.919 0.05 . 577 155 155 LYS CB C 32.986 0.05 . 578 155 155 LYS N N 122.548 0.05 . 579 156 156 MET H H 8.440 0.05 . 580 156 156 MET CA C 53.347 0.05 . 581 156 156 MET CB C 32.197 0.05 . 582 156 156 MET N N 123.716 0.05 . 583 157 157 PRO CA C 63.057 0.05 . 584 157 157 PRO CB C 32.193 0.05 . 585 158 158 ASP H H 8.357 0.05 . 586 158 158 ASP CA C 54.399 0.05 . 587 158 158 ASP CB C 41.049 0.05 . 588 158 158 ASP N N 120.213 0.05 . 589 159 159 LEU H H 8.155 0.05 . 590 159 159 LEU CA C 55.192 0.05 . 591 159 159 LEU CB C 42.702 0.05 . 592 159 159 LEU N N 122.818 0.05 . 593 160 160 GLU H H 7.885 0.05 . 594 160 160 GLU CA C 58.110 0.05 . 595 160 160 GLU CB C 31.257 0.05 . 596 160 160 GLU N N 126.411 0.05 . stop_ save_