data_4785 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N assignment of a bleomycin resistance protein in its native form and in a complex with Zn(2+) ligated bleomycin ; _BMRB_accession_number 4785 _BMRB_flat_file_name bmr4785.str _Entry_type original _Submission_date 2000-07-17 _Accession_date 2000-07-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of the backbone only' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vanbelle Christophe . . 2 Muhle-Goll Claudia . . 3 Remy Marie-Helene . . 4 Masson Jean-Michel . . 5 Marion Dominique . . 6 Brutscher Bernhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 115 "13C chemical shifts" 228 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-10-30 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4786 'BRP complexed to Bleomycin' stop_ _Original_release_date 2000-10-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, and 15N assignment of a bleomycin resistance protein in its native form and in a complex with Zn2+ ligated bleomycin ; _Citation_status published _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 Vanbelle Christophe . . 2 Muhle-Goll Claudia . . 3 Remy Marie-Helene . . 4 Masson Jean-Michel . . 5 Marion Dominique . . 6 Brutscher Bernhard . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 18 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 177 _Page_last 178 _Year 2000 _Details . loop_ _Keyword 'bleomycin resistance' 'DNA cleavage' 'molecular interaction' 'NMR assignment' stop_ save_ ################################## # Molecular system description # ################################## save_BRP _Saveframe_category molecular_system _Mol_system_name 'Bleomycin resistance protein of S. hindustanus' _Abbreviation_common BRP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BRP monomer 1' $Sh_BRP 'BRP monomer 2' $Sh_BRP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'BRP monomer 1' 1 'BRP monomer 2' stop_ loop_ _Biological_function 'Bleomycin resistance by its sequestration' 'Phleomycin resistance by its sequestration' 'Tallysomycin resistance by its sequestration' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sh_BRP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'S. hindustanus bleomycin resistance protein' _Abbreviation_common 'Sh BRP' _Molecular_mass 13796 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MAKLTSAVPVLTARDVAGAV EFWTDRLGFSRDFVEDDFAG VVRDDVTLFISAVQDQVVPD NTLAWVWVRGLDELYAEWSE VVSTNFRDASGPAMTEIGEQ PWGREFALRDPAGNCVHFVA EEQD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 LEU 5 THR 6 SER 7 ALA 8 VAL 9 PRO 10 VAL 11 LEU 12 THR 13 ALA 14 ARG 15 ASP 16 VAL 17 ALA 18 GLY 19 ALA 20 VAL 21 GLU 22 PHE 23 TRP 24 THR 25 ASP 26 ARG 27 LEU 28 GLY 29 PHE 30 SER 31 ARG 32 ASP 33 PHE 34 VAL 35 GLU 36 ASP 37 ASP 38 PHE 39 ALA 40 GLY 41 VAL 42 VAL 43 ARG 44 ASP 45 ASP 46 VAL 47 THR 48 LEU 49 PHE 50 ILE 51 SER 52 ALA 53 VAL 54 GLN 55 ASP 56 GLN 57 VAL 58 VAL 59 PRO 60 ASP 61 ASN 62 THR 63 LEU 64 ALA 65 TRP 66 VAL 67 TRP 68 VAL 69 ARG 70 GLY 71 LEU 72 ASP 73 GLU 74 LEU 75 TYR 76 ALA 77 GLU 78 TRP 79 SER 80 GLU 81 VAL 82 VAL 83 SER 84 THR 85 ASN 86 PHE 87 ARG 88 ASP 89 ALA 90 SER 91 GLY 92 PRO 93 ALA 94 MET 95 THR 96 GLU 97 ILE 98 GLY 99 GLU 100 GLN 101 PRO 102 TRP 103 GLY 104 ARG 105 GLU 106 PHE 107 ALA 108 LEU 109 ARG 110 ASP 111 PRO 112 ALA 113 GLY 114 ASN 115 CYS 116 VAL 117 HIS 118 PHE 119 VAL 120 ALA 121 GLU 122 GLU 123 GLN 124 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 4786 Sh_BRP 100.00 124 100.00 100.00 2.71e-82 PDB 1BYL "Bleomycin Resistance Protein From Streptoalloteichus Hindustanus" 100.00 125 100.00 100.00 2.86e-82 PDB 2ZHP "Crystal Structure Of Bleomycin-Binding Protein From Streptoalloteichus Hindustanus Complexed With Bleomycin Derivative" 100.00 124 100.00 100.00 2.71e-82 DBJ BAC41730 "bleomycin resistance [Retroviral vector pCX4bleo]" 100.00 124 100.00 100.00 2.71e-82 DBJ BAF75469 "zeocin resistant protein [synthetic construct]" 100.00 124 100.00 100.00 2.71e-82 DBJ BAG54978 "zeocin registance [Shuttle vector pCRB15]" 100.00 124 100.00 100.00 2.71e-82 DBJ BAG71041 "zeocin resistant [synthetic construct]" 100.00 124 100.00 100.00 2.71e-82 DBJ BAI39424 "bleomycin resistance protein [Expression vector pTY2b]" 101.61 126 98.41 98.41 2.07e-80 EMBL CAA37050 "unnamed protein product [Streptoalloteichus hindustanus]" 100.00 124 100.00 100.00 2.71e-82 EMBL CAA83658 "phleomycin binding protein [synthetic construct]" 100.00 124 100.00 100.00 2.71e-82 EMBL CAD21454 "BlEomycin resistance protein [Trypanosoma brucei]" 100.00 124 100.00 100.00 2.71e-82 GB AAA72449 "phleomycin/zeocin binding protein [Cloning vector pZEO]" 100.00 124 100.00 100.00 2.71e-82 GB AAA72451 "phleomycin/zeocin binding protein [Cloning vector pZEO]" 100.00 124 100.00 100.00 2.71e-82 GB AAA73162 "synthetic fusion protein [synthetic construct]" 100.00 1149 100.00 100.00 7.68e-75 GB AAA73163 "synthetic fusion protein [synthetic construct]" 100.00 1144 100.00 100.00 6.05e-75 GB AAA93507 "(thymidine kinase):(phleomycin/zeocin binding protein) fusion protein [Cloning vector pZEO-SG1]" 100.00 740 100.00 100.00 5.25e-78 SP P17493 "RecName: Full=Bleomycin resistance protein; Short=BRP; AltName: Full=Phleomycin resistance protein [Streptoalloteichus hindusta" 100.00 124 100.00 100.00 2.71e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sh_BRP . 2017 Bacteria . Streptoalloteichus hindustanus 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 $Sh_BRP '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 _Isotopic_labeling $Sh_BRP 1.0 mM '[U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sh_BRP 1 mM '[U-98% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.5 0.1 n/a temperature 313 1 K 'ionic strength' 0.1 . M 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 H 1 'methyl protons' ppm 0.0 internal direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_Nat_Shift _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'BRP monomer 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET C C 175.403 0.2 1 2 . 1 MET CA C 53.993 0.2 1 3 . 2 ALA H H 8.17 0.05 1 4 . 2 ALA C C 177.267 0.2 1 5 . 2 ALA CA C 50.773 0.2 1 6 . 2 ALA N N 124.411 0.1 1 7 . 3 LYS H H 8.714 0.05 1 8 . 3 LYS CA C 54.071 0.2 1 9 . 3 LYS N N 120.711 0.1 1 10 . 4 LEU C C 177.338 0.2 1 11 . 4 LEU CA C 55.471 0.2 1 12 . 5 THR H H 8.995 0.05 1 13 . 5 THR C C 175.772 0.2 1 14 . 5 THR CA C 62.636 0.2 1 15 . 5 THR N N 115.39 0.1 1 16 . 6 SER H H 7.603 0.05 1 17 . 6 SER C C 171.982 0.2 1 18 . 6 SER CA C 57.925 0.2 1 19 . 6 SER N N 114.176 0.1 1 20 . 7 ALA H H 8.61 0.05 1 21 . 7 ALA C C 175.794 0.2 1 22 . 7 ALA CA C 50.284 0.2 1 23 . 7 ALA N N 123.053 0.1 1 24 . 8 VAL H H 9.52 0.05 1 25 . 8 VAL CA C 58.976 0.2 1 26 . 8 VAL N N 121.867 0.1 1 27 . 9 PRO C C 174.484 0.2 1 28 . 9 PRO CA C 60.758 0.2 1 29 . 10 VAL H H 8.793 0.05 1 30 . 10 VAL C C 176.213 0.2 1 31 . 10 VAL CA C 59.698 0.2 1 32 . 10 VAL N N 121.896 0.1 1 33 . 11 LEU H H 8.909 0.05 1 34 . 11 LEU C C 176.851 0.2 1 35 . 11 LEU CA C 53.45 0.2 1 36 . 11 LEU N N 126.32 0.1 1 37 . 12 THR H H 9.129 0.05 1 38 . 12 THR C C 175.396 0.2 1 39 . 12 THR CA C 58.8 0.2 1 40 . 12 THR N N 109.03 0.1 1 41 . 13 ALA H H 7.884 0.05 1 42 . 13 ALA C C 176.678 0.2 1 43 . 13 ALA CA C 51.381 0.2 1 44 . 13 ALA N N 116.056 0.1 1 45 . 14 ARG H H 8.103 0.05 1 46 . 14 ARG C C 177.284 0.2 1 47 . 14 ARG CA C 57.19 0.2 1 48 . 14 ARG N N 119.988 0.1 1 49 . 15 ASP H H 7.987 0.05 1 50 . 15 ASP C C 176.392 0.2 1 51 . 15 ASP CA C 50.941 0.2 1 52 . 15 ASP N N 118.6 0.1 1 53 . 16 VAL H H 8.83 0.05 1 54 . 16 VAL C C 177.102 0.2 1 55 . 16 VAL CA C 66.325 0.2 1 56 . 16 VAL N N 127.187 0.1 1 57 . 17 ALA H H 8.174 0.05 1 58 . 17 ALA C C 181.329 0.2 1 59 . 17 ALA CA C 55.087 0.2 1 60 . 17 ALA N N 122.829 0.1 1 61 . 18 GLY H H 8.354 0.05 1 62 . 18 GLY C C 176.899 0.2 1 63 . 18 GLY CA C 46.248 0.2 1 64 . 18 GLY N N 106.34 0.1 1 65 . 19 ALA H H 7.578 0.05 1 66 . 19 ALA C C 179.547 0.2 1 67 . 19 ALA CA C 54.829 0.2 1 68 . 19 ALA N N 126.089 0.1 1 69 . 20 VAL H H 8.793 0.05 1 70 . 20 VAL C C 179.441 0.2 1 71 . 20 VAL CA C 66.461 0.2 1 72 . 20 VAL N N 119.12 0.1 1 73 . 21 GLU H H 8.176 0.05 1 74 . 21 GLU C C 177.066 0.2 1 75 . 21 GLU CA C 59.1 0.2 1 76 . 21 GLU N N 121.289 0.1 1 77 . 22 PHE H H 7.444 0.05 1 78 . 22 PHE CA C 60.829 0.2 1 79 . 22 PHE N N 118.079 0.1 1 80 . 23 TRP H H 8.246 0.05 1 81 . 23 TRP C C 176.351 0.2 1 82 . 23 TRP CA C 61.367 0.2 1 83 . 23 TRP N N 118.907 0.1 1 84 . 24 THR H H 7.99 0.05 1 85 . 24 THR C C 175.938 0.2 1 86 . 24 THR CA C 60.14 0.2 1 87 . 24 THR N N 106.464 0.1 1 88 . 25 ASP H H 8.494 0.05 1 89 . 25 ASP C C 177.755 0.2 1 90 . 25 ASP CA C 56.402 0.2 1 91 . 25 ASP N N 124.065 0.1 1 92 . 26 ARG H H 7.297 0.05 1 93 . 26 ARG C C 177.43 0.2 1 94 . 26 ARG CA C 56.242 0.2 1 95 . 26 ARG N N 114.003 0.1 1 96 . 27 LEU H H 6.583 0.05 1 97 . 27 LEU C C 178.841 0.2 1 98 . 27 LEU CA C 54.423 0.2 1 99 . 27 LEU N N 112.557 0.1 1 100 . 28 GLY H H 7.508 0.05 1 101 . 28 GLY C C 176.873 0.2 1 102 . 28 GLY CA C 46.247 0.2 1 103 . 28 GLY N N 105.536 0.1 1 104 . 29 PHE H H 8.958 0.05 1 105 . 29 PHE C C 175.259 0.2 1 106 . 29 PHE CA C 57.398 0.2 1 107 . 29 PHE N N 121.173 0.1 1 108 . 30 SER H H 9.88 0.05 1 109 . 30 SER C C 175.102 0.2 1 110 . 30 SER CA C 56.691 0.2 1 111 . 30 SER N N 115.304 0.1 1 112 . 31 ARG H H 8.885 0.05 1 113 . 31 ARG C C 175.279 0.2 1 114 . 31 ARG CA C 56.466 0.2 1 115 . 31 ARG N N 122.937 0.1 1 116 . 32 ASP H H 8.641 0.05 1 117 . 32 ASP C C 175.837 0.2 1 118 . 32 ASP CA C 55.017 0.2 1 119 . 32 ASP N N 128.141 0.1 1 120 . 33 PHE H H 7.182 0.05 1 121 . 33 PHE C C 173.249 0.2 1 122 . 33 PHE CA C 55.575 0.2 1 123 . 33 PHE N N 111.892 0.1 1 124 . 34 VAL H H 8.641 0.05 1 125 . 34 VAL C C 174.316 0.2 1 126 . 34 VAL CA C 62.556 0.2 1 127 . 34 VAL N N 120.017 0.1 1 128 . 35 GLU H H 8.775 0.05 1 129 . 35 GLU C C 176.426 0.2 1 130 . 35 GLU CA C 53.455 0.2 1 131 . 35 GLU N N 127.882 0.1 1 132 . 36 ASP H H 8.616 0.05 1 133 . 36 ASP C C 177.206 0.2 1 134 . 36 ASP CA C 56.998 0.2 1 135 . 36 ASP N N 118.86 0.1 1 136 . 37 ASP H H 8.292 0.05 1 137 . 37 ASP C C 175.574 0.2 1 138 . 37 ASP CA C 52.339 0.2 1 139 . 37 ASP N N 112.962 0.1 1 140 . 38 PHE H H 7.255 0.05 1 141 . 38 PHE C C 172.422 0.2 1 142 . 38 PHE CA C 55.343 0.2 1 143 . 38 PHE N N 122.185 0.1 1 144 . 39 ALA H H 8.518 0.05 1 145 . 39 ALA C C 173.763 0.2 1 146 . 39 ALA CA C 49.713 0.2 1 147 . 39 ALA N N 127.072 0.1 1 148 . 40 GLY H H 7.407 0.05 1 149 . 40 GLY C C 172.538 0.2 1 150 . 40 GLY CA C 44.587 0.2 1 151 . 40 GLY N N 104.201 0.1 1 152 . 41 VAL H H 9.092 0.05 1 153 . 41 VAL C C 174.0 0.2 1 154 . 41 VAL CA C 57.688 0.2 1 155 . 41 VAL N N 117.067 0.1 1 156 . 42 VAL H H 9.043 0.05 1 157 . 42 VAL C C 175.215 0.2 1 158 . 42 VAL CA C 59.051 0.2 1 159 . 42 VAL N N 119.612 0.1 1 160 . 43 ARG H H 8.762 0.05 1 161 . 43 ARG C C 174.003 0.2 1 162 . 43 ARG CA C 56.366 0.2 1 163 . 43 ARG N N 127.158 0.1 1 164 . 44 ASP H H 9.002 0.05 1 165 . 44 ASP C C 175.687 0.2 1 166 . 44 ASP CA C 55.315 0.2 1 167 . 44 ASP N N 124.969 0.1 1 168 . 45 ASP H H 7.56 0.05 1 169 . 45 ASP C C 175.398 0.2 1 170 . 45 ASP CA C 54.205 0.2 1 171 . 45 ASP N N 121.636 0.1 1 172 . 46 VAL H H 8.274 0.05 1 173 . 46 VAL C C 173.175 0.2 1 174 . 46 VAL CA C 62.4 0.2 1 175 . 46 VAL N N 122.272 0.1 1 176 . 47 THR H H 7.835 0.05 1 177 . 47 THR C C 172.953 0.2 1 178 . 47 THR CA C 60.559 0.2 1 179 . 47 THR N N 124.759 0.1 1 180 . 48 LEU H H 8.818 0.05 1 181 . 48 LEU C C 175.85 0.2 1 182 . 48 LEU CA C 52.774 0.2 1 183 . 48 LEU N N 123.226 0.1 1 184 . 49 PHE H H 8.238 0.05 1 185 . 49 PHE C C 175.172 0.2 1 186 . 49 PHE CA C 50.863 0.2 1 187 . 49 PHE N N 121.029 0.1 1 188 . 50 ILE H H 8.573 0.05 1 189 . 50 ILE C C 174.689 0.2 1 190 . 50 ILE CA C 59.403 0.2 1 191 . 50 ILE N N 118.862 0.1 1 192 . 51 SER H H 8.793 0.05 1 193 . 51 SER C C 173.967 0.2 1 194 . 51 SER CA C 55.516 0.2 1 195 . 51 SER N N 119.431 0.1 1 196 . 52 ALA H H 7.694 0.05 1 197 . 52 ALA C C 178.704 0.2 1 198 . 52 ALA CA C 51.301 0.2 1 199 . 52 ALA N N 128.17 0.1 1 200 . 53 VAL H H 7.877 0.05 1 201 . 53 VAL CA C 58.362 0.2 1 202 . 53 VAL N N 114.002 0.1 1 203 . 54 GLN H H 8.317 0.05 1 204 . 54 GLN C C 175.775 0.2 1 205 . 54 GLN CA C 55.561 0.2 1 206 . 54 GLN N N 117.01 0.1 1 207 . 55 ASP H H 7.224 0.05 1 208 . 55 ASP CA C 52.728 0.2 1 209 . 55 ASP N N 118.86 0.1 1 210 . 56 GLN C C 174.263 0.2 1 211 . 57 VAL H H 8.281 0.05 1 212 . 57 VAL C C 176.389 0.2 1 213 . 57 VAL CA C 63.67 0.2 1 214 . 57 VAL N N 116.605 0.1 1 215 . 58 VAL H H 7.597 0.05 1 216 . 58 VAL CA C 67.47 0.2 1 217 . 58 VAL N N 116.894 0.1 1 218 . 60 ASP H H 6.968 0.05 1 219 . 60 ASP CA C 55.65 0.2 1 220 . 60 ASP N N 111.169 0.1 1 221 . 61 ASN H H 7.853 0.05 1 222 . 61 ASN C C 173.328 0.2 1 223 . 61 ASN CA C 52.745 0.2 1 224 . 61 ASN N N 117.299 0.1 1 225 . 62 THR H H 7.725 0.05 1 226 . 62 THR CA C 63.576 0.2 1 227 . 62 THR N N 118.542 0.1 1 228 . 63 LEU CA C 52.37 0.2 1 229 . 64 ALA H H 7.694 0.05 1 230 . 64 ALA C C 174.326 0.2 1 231 . 64 ALA CA C 51.695 0.2 1 232 . 64 ALA N N 114.118 0.1 1 233 . 65 TRP H H 8.265 0.05 1 234 . 65 TRP C C 174.811 0.2 1 235 . 65 TRP CA C 56.479 0.2 1 236 . 65 TRP N N 124.829 0.1 1 237 . 66 VAL H H 9.05 0.05 1 238 . 66 VAL C C 174.092 0.2 1 239 . 66 VAL CA C 60.289 0.2 1 240 . 66 VAL N N 122.619 0.1 1 241 . 67 TRP H H 9.281 0.05 1 242 . 67 TRP CA C 57.74 0.2 1 243 . 67 TRP N N 129.674 0.1 1 244 . 68 VAL H H 9.178 0.05 1 245 . 68 VAL C C 176.162 0.2 1 246 . 68 VAL CA C 59.669 0.2 1 247 . 68 VAL N N 117.617 0.1 1 248 . 69 ARG H H 9.465 0.05 1 249 . 69 ARG C C 175.808 0.2 1 250 . 69 ARG CA C 54.809 0.2 1 251 . 69 ARG N N 128.728 0.1 1 252 . 70 GLY H H 8.964 0.05 1 253 . 70 GLY C C 175.177 0.2 1 254 . 70 GLY CA C 46.277 0.2 1 255 . 70 GLY N N 116.546 0.1 1 256 . 71 LEU H H 8.445 0.05 1 257 . 71 LEU C C 178.406 0.2 1 258 . 71 LEU CA C 57.999 0.2 1 259 . 71 LEU N N 122.995 0.1 1 260 . 72 ASP H H 8.372 0.05 1 261 . 72 ASP C C 178.953 0.2 1 262 . 72 ASP CA C 56.964 0.2 1 263 . 72 ASP N N 114.349 0.1 1 264 . 73 GLU H H 7.859 0.05 1 265 . 73 GLU C C 179.28 0.2 1 266 . 73 GLU CA C 58.639 0.2 1 267 . 73 GLU N N 120.682 0.1 1 268 . 74 LEU H H 7.664 0.05 1 269 . 74 LEU C C 177.216 0.2 1 270 . 74 LEU CA C 56.242 0.2 1 271 . 74 LEU N N 124.18 0.1 1 272 . 75 TYR H H 8.377 0.05 1 273 . 75 TYR C C 178.536 0.2 1 274 . 75 TYR CA C 61.023 0.2 1 275 . 75 TYR N N 118.232 0.1 1 276 . 76 ALA H H 7.951 0.05 1 277 . 76 ALA C C 179.941 0.2 1 278 . 76 ALA CA C 54.291 0.2 1 279 . 76 ALA N N 120.942 0.1 1 280 . 77 GLU H H 7.42 0.05 1 281 . 77 GLU C C 179.625 0.2 1 282 . 77 GLU CA C 58.213 0.2 1 283 . 77 GLU N N 119.38 0.1 1 284 . 78 TRP H H 8.091 0.05 1 285 . 78 TRP C C 178.474 0.2 1 286 . 78 TRP CA C 55.859 0.2 1 287 . 78 TRP N N 119.091 0.1 1 288 . 79 SER H H 8.531 0.05 1 289 . 79 SER C C 175.105 0.2 1 290 . 79 SER CA C 60.573 0.2 1 291 . 79 SER N N 116.865 0.1 1 292 . 80 GLU H H 6.931 0.05 1 293 . 80 GLU C C 177.697 0.2 1 294 . 80 GLU CA C 56.852 0.2 1 295 . 80 GLU N N 117.356 0.1 1 296 . 81 VAL H H 7.462 0.05 1 297 . 81 VAL C C 175.09 0.2 1 298 . 81 VAL CA C 60.791 0.2 1 299 . 81 VAL N N 109.897 0.1 1 300 . 82 VAL H H 7.969 0.05 1 301 . 82 VAL C C 174.202 0.2 1 302 . 82 VAL CA C 60.327 0.2 1 303 . 82 VAL N N 122.417 0.1 1 304 . 83 SER H H 8.085 0.05 1 305 . 83 SER C C 175.188 0.2 1 306 . 83 SER CA C 57.575 0.2 1 307 . 83 SER N N 117.559 0.1 1 308 . 84 THR H H 8.048 0.05 1 309 . 84 THR C C 175.258 0.2 1 310 . 84 THR CA C 60.119 0.2 1 311 . 84 THR N N 113.106 0.1 1 312 . 85 ASN H H 8.335 0.05 1 313 . 85 ASN C C 175.008 0.2 1 314 . 85 ASN CA C 50.964 0.2 1 315 . 85 ASN N N 121.463 0.1 1 316 . 86 PHE H H 8.036 0.05 1 317 . 86 PHE C C 176.936 0.2 1 318 . 86 PHE CA C 60.139 0.2 1 319 . 86 PHE N N 122.619 0.1 1 320 . 87 ARG H H 8.249 0.05 1 321 . 87 ARG CA C 56.571 0.2 1 322 . 87 ARG N N 115.546 0.1 1 323 . 88 ASP H H 7.45 0.05 1 324 . 88 ASP C C 175.706 0.2 1 325 . 88 ASP CA C 53.316 0.2 1 326 . 88 ASP N N 118.628 0.1 1 327 . 89 ALA H H 7.786 0.05 1 328 . 89 ALA C C 177.437 0.2 1 329 . 89 ALA CA C 51.667 0.2 1 330 . 89 ALA N N 124.238 0.1 1 331 . 90 SER H H 8.17 0.05 1 332 . 90 SER C C 174.374 0.2 1 333 . 90 SER CA C 57.663 0.2 1 334 . 90 SER N N 114.234 0.1 1 335 . 91 GLY H H 7.664 0.05 1 336 . 91 GLY CA C 43.493 0.2 1 337 . 91 GLY N N 110.62 0.1 1 338 . 92 PRO C C 176.818 0.2 1 339 . 92 PRO CA C 61.855 0.2 1 340 . 93 ALA H H 8.559 0.05 1 341 . 93 ALA C C 174.7 0.2 1 342 . 93 ALA CA C 51.364 0.2 1 343 . 93 ALA N N 122.731 0.1 1 344 . 94 MET H H 8.817 0.05 1 345 . 94 MET C C 175.478 0.2 1 346 . 94 MET CA C 53.517 0.2 1 347 . 94 MET N N 117.125 0.1 1 348 . 95 THR H H 8.634 0.05 1 349 . 95 THR C C 175.479 0.2 1 350 . 95 THR CA C 60.257 0.2 1 351 . 95 THR N N 110.07 0.1 1 352 . 96 GLU H H 8.085 0.05 1 353 . 96 GLU C C 178.287 0.2 1 354 . 96 GLU CA C 55.775 0.2 1 355 . 96 GLU N N 115.304 0.1 1 356 . 97 ILE H H 8.189 0.05 1 357 . 97 ILE C C 177.224 0.2 1 358 . 97 ILE CA C 61.382 0.2 1 359 . 97 ILE N N 123.428 0.1 1 360 . 98 GLY H H 9.233 0.05 1 361 . 98 GLY C C 172.022 0.2 1 362 . 98 GLY CA C 43.72 0.2 1 363 . 98 GLY N N 116.779 0.1 1 364 . 99 GLU H H 8.278 0.05 1 365 . 99 GLU C C 175.706 0.2 1 366 . 99 GLU CA C 56.008 0.2 1 367 . 99 GLU N N 119.218 0.1 1 368 . 100 GLN H H 7.853 0.05 1 369 . 100 GLN CA C 52.082 0.2 1 370 . 100 GLN N N 124.209 0.1 1 371 . 101 PRO C C 176.74 0.2 1 372 . 101 PRO CA C 64.993 0.2 1 373 . 102 TRP H H 6.016 0.05 1 374 . 102 TRP C C 175.076 0.2 1 375 . 102 TRP CA C 55.394 0.2 1 376 . 102 TRP N N 107.641 0.1 1 377 . 103 GLY H H 7.415 0.05 1 378 . 103 GLY C C 172.263 0.2 1 379 . 103 GLY CA C 43.479 0.2 1 380 . 103 GLY N N 110.598 0.1 1 381 . 104 ARG H H 8.576 0.05 1 382 . 104 ARG C C 175.553 0.2 1 383 . 104 ARG CA C 55.777 0.2 1 384 . 104 ARG N N 122.369 0.1 1 385 . 105 GLU H H 8.909 0.05 1 386 . 105 GLU C C 175.456 0.2 1 387 . 105 GLU CA C 54.586 0.2 1 388 . 105 GLU N N 121.202 0.1 1 389 . 106 PHE H H 8.727 0.05 1 390 . 106 PHE C C 171.485 0.2 1 391 . 106 PHE CA C 56.167 0.2 1 392 . 106 PHE N N 114.585 0.1 1 393 . 107 ALA H H 8.571 0.05 1 394 . 107 ALA C C 175.048 0.2 1 395 . 107 ALA CA C 49.094 0.2 1 396 . 107 ALA N N 122.042 0.1 1 397 . 108 LEU H H 9.159 0.05 1 398 . 108 LEU CA C 53.649 0.2 1 399 . 108 LEU N N 124.18 0.1 1 400 . 109 ARG H H 9.507 0.05 1 401 . 109 ARG C C 175.193 0.2 1 402 . 109 ARG CA C 52.752 0.2 1 403 . 109 ARG N N 128.695 0.1 1 404 . 110 ASP H H 8.421 0.05 1 405 . 110 ASP CA C 51.175 0.2 1 406 . 110 ASP N N 127.303 0.1 1 407 . 111 PRO C C 176.855 0.2 1 408 . 111 PRO CA C 64.266 0.2 1 409 . 112 ALA H H 7.835 0.05 1 410 . 112 ALA C C 177.198 0.2 1 411 . 112 ALA CA C 51.721 0.2 1 412 . 112 ALA N N 118.108 0.1 1 413 . 113 GLY H H 7.704 0.05 1 414 . 113 GLY C C 173.423 0.2 1 415 . 113 GLY CA C 43.736 0.2 1 416 . 113 GLY N N 105.51 0.1 1 417 . 114 ASN H H 7.92 0.05 1 418 . 114 ASN CA C 54.147 0.2 1 419 . 114 ASN N N 119.728 0.1 1 420 . 115 CYS H H 8.012 0.05 1 421 . 115 CYS C C 172.927 0.2 1 422 . 115 CYS CA C 56.527 0.2 1 423 . 115 CYS N N 118.976 0.1 1 424 . 116 VAL H H 9.397 0.05 1 425 . 116 VAL C C 175.378 0.2 1 426 . 116 VAL CA C 59.227 0.2 1 427 . 116 VAL N N 127.043 0.1 1 428 . 117 HIS H H 8.476 0.05 1 429 . 117 HIS C C 171.971 0.2 1 430 . 117 HIS CA C 53.7 0.2 1 431 . 117 HIS N N 125.337 0.1 1 432 . 118 PHE H H 8.927 0.05 1 433 . 118 PHE C C 173.39 0.2 1 434 . 118 PHE CA C 56.11 0.2 1 435 . 118 PHE N N 123.891 0.1 1 436 . 119 VAL H H 8.921 0.05 1 437 . 119 VAL C C 175.371 0.2 1 438 . 119 VAL CA C 58.74 0.2 1 439 . 119 VAL N N 122.214 0.1 1 440 . 120 ALA H H 9.056 0.05 1 441 . 120 ALA C C 178.794 0.2 1 442 . 120 ALA CA C 51.85 0.2 1 443 . 120 ALA N N 128.112 0.1 1 444 . 121 GLU H H 9.007 0.05 1 445 . 121 GLU C C 177.107 0.2 1 446 . 121 GLU CA C 56.07 0.2 1 447 . 121 GLU N N 124.441 0.1 1 448 . 122 GLU H H 8.891 0.05 1 449 . 122 GLU C C 176.317 0.2 1 450 . 122 GLU CA C 55.81 0.2 1 451 . 122 GLU N N 124.701 0.1 1 452 . 123 GLN H H 8.457 0.05 1 453 . 123 GLN C C 174.827 0.2 1 454 . 123 GLN CA C 55.0 0.2 1 455 . 123 GLN N N 121.52 0.1 1 456 . 124 ASP H H 8.054 0.05 1 457 . 124 ASP CA C 55.1 0.2 1 458 . 124 ASP N N 127.708 0.1 1 stop_ save_