data_27811 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Elongation factor P from E.coli ; _BMRB_accession_number 27811 _BMRB_flat_file_name bmr27811.str _Entry_type original _Submission_date 2019-02-28 _Accession_date 2019-02-28 _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 Jagtap 'Pravin Kumar Ankush' . . 2 Macosek Jakub . . 3 Hennig Janosch . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 168 "13C chemical shifts" 299 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-26 original BMRB . stop_ _Original_release_date 2019-03-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Switching the Post-translational Modification of Translation Elongation Factor EF-P. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31178848 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkwein Wolfram . . 2 Krafczyk Ralph . . 3 Jagtap 'Pravin Kumar Ankush' . . 4 Parr Marina . . 5 Mankina Elena . . 6 Macosek Jakub . . 7 Guo Zhenghuan . . 8 Furst 'Maximilian Josef' . . 9 Pfab Miriam . . 10 Frishman Dmitrij . . 11 Hennig Janosch . . 12 Jung Kirsten . . 13 Lassak Jurgen . . stop_ _Journal_abbreviation 'Front. Microbiol.' _Journal_name_full 'Frontiers in microbiology' _Journal_volume 10 _Journal_issue . _Journal_ISSN 1664-302X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1148 _Page_last 1148 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EFP monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EFP $EFP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EFP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EFP _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; MATYYSNDFRAGLKIMLDGE PYAVEASEFVKPGKGQAFAR VKLRRLLTGTRVEKTFKSTD SAEGADVVDMNLTYLYNDGE FWHFMNNETFEQLSADAKAI GDNAKWLLDQAECIVTLWNG QPISVTPPNFVELEIVDTDP GLKGDTAGTGGKPATLSTGA VVKVPLFVQIGEVIKVDTRS GEYVSRVK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 TYR 5 TYR 6 SER 7 ASN 8 ASP 9 PHE 10 ARG 11 ALA 12 GLY 13 LEU 14 LYS 15 ILE 16 MET 17 LEU 18 ASP 19 GLY 20 GLU 21 PRO 22 TYR 23 ALA 24 VAL 25 GLU 26 ALA 27 SER 28 GLU 29 PHE 30 VAL 31 LYS 32 PRO 33 GLY 34 LYS 35 GLY 36 GLN 37 ALA 38 PHE 39 ALA 40 ARG 41 VAL 42 LYS 43 LEU 44 ARG 45 ARG 46 LEU 47 LEU 48 THR 49 GLY 50 THR 51 ARG 52 VAL 53 GLU 54 LYS 55 THR 56 PHE 57 LYS 58 SER 59 THR 60 ASP 61 SER 62 ALA 63 GLU 64 GLY 65 ALA 66 ASP 67 VAL 68 VAL 69 ASP 70 MET 71 ASN 72 LEU 73 THR 74 TYR 75 LEU 76 TYR 77 ASN 78 ASP 79 GLY 80 GLU 81 PHE 82 TRP 83 HIS 84 PHE 85 MET 86 ASN 87 ASN 88 GLU 89 THR 90 PHE 91 GLU 92 GLN 93 LEU 94 SER 95 ALA 96 ASP 97 ALA 98 LYS 99 ALA 100 ILE 101 GLY 102 ASP 103 ASN 104 ALA 105 LYS 106 TRP 107 LEU 108 LEU 109 ASP 110 GLN 111 ALA 112 GLU 113 CYS 114 ILE 115 VAL 116 THR 117 LEU 118 TRP 119 ASN 120 GLY 121 GLN 122 PRO 123 ILE 124 SER 125 VAL 126 THR 127 PRO 128 PRO 129 ASN 130 PHE 131 VAL 132 GLU 133 LEU 134 GLU 135 ILE 136 VAL 137 ASP 138 THR 139 ASP 140 PRO 141 GLY 142 LEU 143 LYS 144 GLY 145 ASP 146 THR 147 ALA 148 GLY 149 THR 150 GLY 151 GLY 152 LYS 153 PRO 154 ALA 155 THR 156 LEU 157 SER 158 THR 159 GLY 160 ALA 161 VAL 162 VAL 163 LYS 164 VAL 165 PRO 166 LEU 167 PHE 168 VAL 169 GLN 170 ILE 171 GLY 172 GLU 173 VAL 174 ILE 175 LYS 176 VAL 177 ASP 178 THR 179 ARG 180 SER 181 GLY 182 GLU 183 TYR 184 VAL 185 SER 186 ARG 187 VAL 188 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EFP 'E. coli' 562 Bacteria . Escherichia coli 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 $EFP 'recombinant technology' . Escherichia coli . NA 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 $EFP 0.8 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_Cara _Saveframe_category software _Name Cara _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details Cara save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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 glucose C 13 'methyl carbon' ppm 0 internal indirect . . . 1.0 water H 1 protons ppm 4.7 internal indirect . . . 1.0 '[15N] ammonium chloride' N 15 nitrogen ppm 0 internal indirect . . . 1.0 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 HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D C(CO)NH' 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 EFP _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 2 2 ALA H H 8.449 0.020 1 2 2 2 ALA CA C 52.222 0.3 1 3 2 2 ALA CB C 19.370 0.3 1 4 2 2 ALA N N 125.225 0.3 1 5 3 3 THR H H 7.873 0.020 1 6 3 3 THR CA C 62.278 0.3 1 7 3 3 THR CB C 70.166 0.3 1 8 3 3 THR N N 115.110 0.3 1 9 4 4 TYR H H 8.908 0.020 1 10 4 4 TYR CA C 56.552 0.3 1 11 4 4 TYR CB C 40.815 0.3 1 12 4 4 TYR N N 124.982 0.3 1 13 5 5 TYR H H 9.223 0.020 1 14 5 5 TYR CA C 57.668 0.3 1 15 5 5 TYR CB C 39.452 0.3 1 16 5 5 TYR N N 122.203 0.3 1 17 6 6 SER H H 8.178 0.020 1 18 6 6 SER CA C 60.796 0.3 1 19 6 6 SER CB C 62.613 0.3 1 20 6 6 SER N N 115.449 0.3 1 21 7 7 ASN H H 8.260 0.020 1 22 7 7 ASN CA C 55.347 0.3 1 23 7 7 ASN CB C 37.131 0.3 1 24 7 7 ASN N N 117.358 0.3 1 25 8 8 ASP H H 8.166 0.020 1 26 8 8 ASP CA C 54.186 0.3 1 27 8 8 ASP CB C 42.228 0.3 1 28 8 8 ASP N N 116.865 0.3 1 29 9 9 PHE H H 7.228 0.020 1 30 9 9 PHE CA C 56.053 0.3 1 31 9 9 PHE CB C 35.920 0.3 1 32 9 9 PHE N N 118.274 0.3 1 33 10 10 ARG H H 6.614 0.020 1 34 10 10 ARG CA C 53.480 0.3 1 35 10 10 ARG CB C 32.388 0.3 1 36 10 10 ARG N N 118.346 0.3 1 37 11 11 ALA H H 8.631 0.020 1 38 11 11 ALA CA C 53.392 0.3 1 39 11 11 ALA CB C 17.654 0.3 1 40 11 11 ALA N N 122.531 0.3 1 41 12 12 GLY H H 8.677 0.020 1 42 12 12 GLY CA C 44.699 0.3 1 43 12 12 GLY N N 111.335 0.3 1 44 13 13 LEU H H 7.546 0.020 1 45 13 13 LEU CA C 55.498 0.3 1 46 13 13 LEU CB C 43.338 0.3 1 47 13 13 LEU N N 121.895 0.3 1 48 14 14 LYS H H 8.359 0.020 1 49 14 14 LYS CA C 54.103 0.3 1 50 14 14 LYS CB C 32.388 0.3 1 51 14 14 LYS N N 123.468 0.3 1 52 15 15 ILE H H 8.869 0.020 1 53 15 15 ILE CA C 58.980 0.3 1 54 15 15 ILE N N 116.834 0.3 1 55 17 17 LEU H H 6.808 0.020 1 56 17 17 LEU CA C 54.424 0.3 1 57 17 17 LEU CB C 41.673 0.3 1 58 17 17 LEU N N 116.892 0.3 1 59 18 18 ASP H H 9.302 0.020 1 60 18 18 ASP CA C 54.997 0.3 1 61 18 18 ASP CB C 39.856 0.3 1 62 18 18 ASP N N 124.508 0.3 1 63 19 19 GLY H H 8.730 0.020 1 64 19 19 GLY CA C 45.444 0.3 1 65 19 19 GLY N N 102.063 0.3 1 66 20 20 GLU H H 7.976 0.020 1 67 20 20 GLU CA C 52.824 0.3 1 68 20 20 GLU CB C 32.540 0.3 1 69 20 20 GLU N N 119.040 0.3 1 70 22 22 TYR H H 9.612 0.020 1 71 22 22 TYR CA C 56.121 0.3 1 72 22 22 TYR CB C 42.934 0.3 1 73 22 22 TYR N N 121.588 0.3 1 74 23 23 ALA H H 8.857 0.020 1 75 23 23 ALA CA C 49.393 0.3 1 76 23 23 ALA CB C 21.237 0.3 1 77 23 23 ALA N N 120.205 0.3 1 78 24 24 VAL H H 8.988 0.020 1 79 24 24 VAL CA C 63.460 0.3 1 80 24 24 VAL CB C 31.026 0.3 1 81 24 24 VAL N N 122.707 0.3 1 82 25 25 GLU H H 9.455 0.020 1 83 25 25 GLU CA C 57.360 0.3 1 84 25 25 GLU CB C 30.572 0.3 1 85 25 25 GLU N N 129.390 0.3 1 86 26 26 ALA H H 7.786 0.020 1 87 26 26 ALA CA C 52.017 0.3 1 88 26 26 ALA CB C 21.842 0.3 1 89 26 26 ALA N N 119.025 0.3 1 90 27 27 SER H H 8.480 0.020 1 91 27 27 SER CA C 57.416 0.3 1 92 27 27 SER CB C 64.883 0.3 1 93 27 27 SER N N 113.720 0.3 1 94 28 28 GLU H H 8.409 0.020 1 95 28 28 GLU CA C 54.584 0.3 1 96 28 28 GLU CB C 32.388 0.3 1 97 28 28 GLU N N 125.744 0.3 1 98 29 29 PHE H H 8.805 0.020 1 99 29 29 PHE CA C 57.769 0.3 1 100 29 29 PHE CB C 39.503 0.3 1 101 29 29 PHE N N 125.986 0.3 1 102 30 30 VAL H H 8.692 0.020 1 103 30 30 VAL CA C 61.511 0.3 1 104 30 30 VAL CB C 32.741 0.3 1 105 30 30 VAL N N 127.996 0.3 1 106 31 31 LYS H H 8.298 0.020 1 107 31 31 LYS CA C 52.673 0.3 1 108 31 31 LYS CB C 32.590 0.3 1 109 31 31 LYS N N 125.751 0.3 1 110 33 33 GLY H H 8.410 0.020 1 111 33 33 GLY CA C 46.214 0.3 1 112 33 33 GLY N N 109.160 0.3 1 113 34 34 LYS H H 8.006 0.020 1 114 34 34 LYS CA C 55.902 0.3 1 115 34 34 LYS CB C 33.145 0.3 1 116 34 34 LYS N N 120.096 0.3 1 117 35 35 GLY H H 8.300 0.020 1 118 35 35 GLY CA C 44.196 0.3 1 119 35 35 GLY N N 109.715 0.3 1 120 36 36 GLN H H 8.145 0.020 1 121 36 36 GLN CA C 55.549 0.3 1 122 36 36 GLN CB C 30.017 0.3 1 123 36 36 GLN N N 118.673 0.3 1 124 37 37 ALA H H 8.390 0.020 1 125 37 37 ALA CA C 52.199 0.3 1 126 37 37 ALA CB C 19.975 0.3 1 127 37 37 ALA N N 124.552 0.3 1 128 38 38 PHE H H 8.229 0.020 1 129 38 38 PHE CA C 55.952 0.3 1 130 38 38 PHE CB C 40.916 0.3 1 131 38 38 PHE N N 116.587 0.3 1 132 39 39 ALA H H 9.107 0.020 1 133 39 39 ALA CA C 49.948 0.3 1 134 39 39 ALA N N 121.008 0.3 1 135 40 40 ARG H H 9.093 0.020 1 136 40 40 ARG CA C 55.751 0.3 1 137 40 40 ARG CB C 31.379 0.3 1 138 40 40 ARG N N 124.599 0.3 1 139 41 41 VAL H H 9.134 0.020 1 140 41 41 VAL CA C 61.099 0.3 1 141 41 41 VAL CB C 35.163 0.3 1 142 41 41 VAL N N 127.757 0.3 1 143 42 42 LYS H H 8.670 0.020 1 144 42 42 LYS CA C 55.650 0.3 1 145 42 42 LYS CB C 33.095 0.3 1 146 42 42 LYS N N 126.946 0.3 1 147 43 43 LEU H H 9.288 0.020 1 148 43 43 LEU CA C 53.379 0.3 1 149 43 43 LEU CB C 46.517 0.3 1 150 43 43 LEU N N 124.514 0.3 1 151 44 44 ARG H H 9.372 0.020 1 152 44 44 ARG CA C 54.085 0.3 1 153 44 44 ARG CB C 32.388 0.3 1 154 44 44 ARG N N 121.886 0.3 1 155 45 45 ARG H H 9.135 0.020 1 156 45 45 ARG CA C 56.053 0.3 1 157 45 45 ARG CB C 32.338 0.3 1 158 45 45 ARG N N 131.039 0.3 1 159 46 46 LEU H H 7.193 0.020 1 160 46 46 LEU CA C 57.971 0.3 1 161 46 46 LEU N N 128.514 0.3 1 162 47 47 LEU H H 9.648 0.020 1 163 47 47 LEU CA C 56.911 0.3 1 164 47 47 LEU N N 115.956 0.3 1 165 48 48 THR H H 6.771 0.020 1 166 48 48 THR CA C 61.160 0.3 1 167 48 48 THR CB C 69.577 0.3 1 168 48 48 THR N N 102.832 0.3 1 169 49 49 GLY H H 8.486 0.020 1 170 49 49 GLY CA C 45.760 0.3 1 171 49 49 GLY N N 111.621 0.3 1 172 50 50 THR H H 7.471 0.020 1 173 50 50 THR CA C 61.250 0.3 1 174 50 50 THR CB C 70.182 0.3 1 175 50 50 THR N N 111.901 0.3 1 176 51 51 ARG H H 8.607 0.020 1 177 51 51 ARG CA C 55.410 0.3 1 178 51 51 ARG CB C 31.884 0.3 1 179 51 51 ARG N N 122.452 0.3 1 180 52 52 VAL H H 8.885 0.020 1 181 52 52 VAL CA C 59.838 0.3 1 182 52 52 VAL CB C 35.718 0.3 1 183 52 52 VAL N N 120.139 0.3 1 184 53 53 GLU H H 8.478 0.020 1 185 53 53 GLU CA C 54.590 0.3 1 186 53 53 GLU CB C 32.035 0.3 1 187 53 53 GLU N N 124.382 0.3 1 188 54 54 LYS H H 8.895 0.020 1 189 54 54 LYS CA C 54.540 0.3 1 190 54 54 LYS CB C 37.787 0.3 1 191 54 54 LYS N N 124.489 0.3 1 192 55 55 THR H H 8.242 0.020 1 193 55 55 THR CA C 60.695 0.3 1 194 55 55 THR CB C 69.929 0.3 1 195 55 55 THR N N 116.571 0.3 1 196 56 56 PHE H H 9.337 0.020 1 197 56 56 PHE CA C 56.709 0.3 1 198 56 56 PHE CB C 42.429 0.3 1 199 56 56 PHE N N 123.291 0.3 1 200 57 57 LYS H H 9.535 0.020 1 201 57 57 LYS CA C 56.053 0.3 1 202 57 57 LYS CB C 33.902 0.3 1 203 57 57 LYS N N 122.494 0.3 1 204 58 58 SER H H 9.047 0.020 1 205 58 58 SER CA C 61.604 0.3 1 206 58 58 SER N N 118.829 0.3 1 207 59 59 THR H H 6.979 0.020 1 208 59 59 THR CA C 61.236 0.3 1 209 59 59 THR CB C 68.690 0.3 1 210 59 59 THR N N 106.099 0.3 1 211 60 60 ASP H H 7.646 0.020 1 212 60 60 ASP CA C 55.044 0.3 1 213 60 60 ASP CB C 42.480 0.3 1 214 60 60 ASP N N 122.935 0.3 1 215 61 61 SER H H 8.220 0.020 1 216 61 61 SER CA C 55.902 0.3 1 217 61 61 SER CB C 67.003 0.3 1 218 61 61 SER N N 112.415 0.3 1 219 62 62 ALA H H 9.058 0.020 1 220 62 62 ALA CA C 51.260 0.3 1 221 62 62 ALA CB C 23.053 0.3 1 222 62 62 ALA N N 120.604 0.3 1 223 63 63 GLU H H 8.857 0.020 1 224 63 63 GLU CA C 55.347 0.3 1 225 63 63 GLU CB C 31.076 0.3 1 226 63 63 GLU N N 122.215 0.3 1 227 64 64 GLY H H 8.915 0.020 1 228 64 64 GLY CA C 45.911 0.3 1 229 64 64 GLY N N 107.852 0.3 1 230 65 65 ALA H H 7.838 0.020 1 231 65 65 ALA CA C 49.796 0.3 1 232 65 65 ALA CB C 21.792 0.3 1 233 65 65 ALA N N 122.680 0.3 1 234 66 66 ASP H H 9.503 0.020 1 235 66 66 ASP CA C 52.925 0.3 1 236 66 66 ASP CB C 38.595 0.3 1 237 66 66 ASP N N 124.502 0.3 1 238 67 67 VAL H H 7.426 0.020 1 239 67 67 VAL CA C 59.484 0.3 1 240 67 67 VAL CB C 34.356 0.3 1 241 67 67 VAL N N 122.875 0.3 1 242 68 68 VAL H H 8.571 0.020 1 243 68 68 VAL CA C 60.227 0.3 1 244 68 68 VAL CB C 35.718 0.3 1 245 68 68 VAL N N 124.351 0.3 1 246 69 69 ASP H H 8.404 0.020 1 247 69 69 ASP CA C 52.910 0.3 1 248 69 69 ASP CB C 41.874 0.3 1 249 69 69 ASP N N 125.194 0.3 1 250 70 70 MET H H 9.061 0.020 1 251 70 70 MET CA C 53.833 0.3 1 252 70 70 MET CB C 35.517 0.3 1 253 70 70 MET N N 121.746 0.3 1 254 71 71 ASN H H 8.678 0.020 1 255 71 71 ASN CA C 52.956 0.3 1 256 71 71 ASN CB C 38.090 0.3 1 257 71 71 ASN N N 123.407 0.3 1 258 72 72 LEU H H 8.568 0.020 1 259 72 72 LEU CA C 53.162 0.3 1 260 72 72 LEU CB C 46.971 0.3 1 261 72 72 LEU N N 123.832 0.3 1 262 73 73 THR H H 8.910 0.020 1 263 73 73 THR CA C 62.714 0.3 1 264 73 73 THR CB C 70.383 0.3 1 265 73 73 THR N N 118.056 0.3 1 266 74 74 TYR H H 9.475 0.020 1 267 74 74 TYR CA C 58.162 0.3 1 268 74 74 TYR CB C 39.503 0.3 1 269 74 74 TYR N N 129.217 0.3 1 270 76 76 TYR H H 6.375 0.020 1 271 76 76 TYR CA C 56.659 0.3 1 272 76 76 TYR N N 111.314 0.3 1 273 77 77 ASN H H 8.861 0.020 1 274 77 77 ASN CA C 51.966 0.3 1 275 77 77 ASN CB C 41.471 0.3 1 276 77 77 ASN N N 117.600 0.3 1 277 78 78 ASP H H 8.135 0.020 1 278 78 78 ASP CA C 52.118 0.3 1 279 78 78 ASP CB C 42.278 0.3 1 280 78 78 ASP N N 120.256 0.3 1 281 79 79 GLY H H 8.235 0.020 1 282 79 79 GLY CA C 44.975 0.3 1 283 79 79 GLY N N 110.744 0.3 1 284 80 80 GLU H H 8.206 0.020 1 285 80 80 GLU CA C 57.668 0.3 1 286 80 80 GLU CB C 32.085 0.3 1 287 80 80 GLU N N 121.366 0.3 1 288 82 82 TRP H H 8.207 0.020 1 289 82 82 TRP CA C 58.094 0.3 1 290 82 82 TRP N N 127.072 0.3 1 291 83 83 HIS H H 8.720 0.020 1 292 83 83 HIS CA C 55.594 0.3 1 293 83 83 HIS N N 121.454 0.3 1 294 84 84 PHE H H 9.319 0.020 1 295 84 84 PHE CA C 55.952 0.3 1 296 84 84 PHE N N 120.107 0.3 1 297 85 85 MET H H 9.662 0.020 1 298 85 85 MET CA C 53.934 0.3 1 299 85 85 MET CB C 37.283 0.3 1 300 85 85 MET N N 119.503 0.3 1 301 86 86 ASN H H 8.558 0.020 1 302 86 86 ASN CA C 52.429 0.3 1 303 86 86 ASN CB C 39.352 0.3 1 304 86 86 ASN N N 124.041 0.3 1 305 87 87 ASN H H 9.228 0.020 1 306 87 87 ASN CA C 55.246 0.3 1 307 87 87 ASN CB C 38.544 0.3 1 308 87 87 ASN N N 125.645 0.3 1 309 88 88 GLU H H 8.449 0.020 1 310 88 88 GLU CA C 57.718 0.3 1 311 88 88 GLU CB C 30.269 0.3 1 312 88 88 GLU N N 116.544 0.3 1 313 89 89 THR H H 7.262 0.020 1 314 89 89 THR CA C 60.998 0.3 1 315 89 89 THR CB C 70.232 0.3 1 316 89 89 THR N N 106.090 0.3 1 317 90 90 PHE H H 8.011 0.020 1 318 90 90 PHE CA C 59.636 0.3 1 319 90 90 PHE CB C 35.466 0.3 1 320 90 90 PHE N N 116.802 0.3 1 321 91 91 GLU H H 7.667 0.020 1 322 91 91 GLU CA C 56.659 0.3 1 323 91 91 GLU CB C 31.177 0.3 1 324 91 91 GLU N N 119.402 0.3 1 325 92 92 GLN H H 8.637 0.020 1 326 92 92 GLN CA C 54.699 0.3 1 327 92 92 GLN CB C 31.026 0.3 1 328 92 92 GLN N N 121.941 0.3 1 329 93 93 LEU H H 8.818 0.020 1 330 93 93 LEU CA C 54.590 0.3 1 331 93 93 LEU CB C 46.012 0.3 1 332 93 93 LEU N N 123.194 0.3 1 333 94 94 SER H H 8.608 0.020 1 334 94 94 SER CA C 56.962 0.3 1 335 94 94 SER CB C 65.186 0.3 1 336 94 94 SER N N 117.747 0.3 1 337 95 95 ALA H H 9.597 0.020 1 338 95 95 ALA CA C 49.595 0.3 1 339 95 95 ALA CB C 22.599 0.3 1 340 95 95 ALA N N 125.457 0.3 1 341 96 96 ASP H H 8.585 0.020 1 342 96 96 ASP CA C 52.199 0.3 1 343 96 96 ASP CB C 41.824 0.3 1 344 96 96 ASP N N 121.625 0.3 1 345 97 97 ALA H H 8.142 0.020 1 346 97 97 ALA CA C 54.842 0.3 1 347 97 97 ALA CB C 18.411 0.3 1 348 97 97 ALA N N 118.035 0.3 1 349 98 98 LYS H H 7.969 0.020 1 350 98 98 LYS CA C 58.728 0.3 1 351 98 98 LYS CB C 31.076 0.3 1 352 98 98 LYS N N 118.747 0.3 1 353 99 99 ALA H H 7.557 0.020 1 354 99 99 ALA CA C 53.530 0.3 1 355 99 99 ALA CB C 18.310 0.3 1 356 99 99 ALA N N 121.246 0.3 1 357 100 100 ILE H H 7.154 0.020 1 358 100 100 ILE CA C 60.039 0.3 1 359 100 100 ILE CB C 36.425 0.3 1 360 100 100 ILE N N 116.141 0.3 1 361 101 101 GLY H H 7.669 0.020 1 362 101 101 GLY CA C 46.365 0.3 1 363 101 101 GLY N N 107.367 0.3 1 364 102 102 ASP H H 8.952 0.020 1 365 102 102 ASP CA C 54.676 0.3 1 366 102 102 ASP CB C 40.613 0.3 1 367 102 102 ASP N N 126.211 0.3 1 368 103 103 ASN H H 7.770 0.020 1 369 103 103 ASN CA C 54.388 0.3 1 370 103 103 ASN CB C 38.595 0.3 1 371 103 103 ASN N N 113.053 0.3 1 372 104 104 ALA H H 7.408 0.020 1 373 104 104 ALA CA C 55.549 0.3 1 374 104 104 ALA CB C 17.654 0.3 1 375 104 104 ALA N N 123.714 0.3 1 376 106 106 TRP H H 9.190 0.020 1 377 106 106 TRP CA C 56.962 0.3 1 378 106 106 TRP CB C 32.388 0.3 1 379 106 106 TRP N N 118.878 0.3 1 380 107 107 LEU H H 9.354 0.020 1 381 107 107 LEU CA C 56.911 0.3 1 382 107 107 LEU N N 116.254 0.3 1 383 108 108 LEU H H 7.063 0.020 1 384 108 108 LEU CA C 53.682 0.3 1 385 108 108 LEU N N 116.501 0.3 1 386 109 109 ASP H H 8.309 0.020 1 387 109 109 ASP CA C 56.154 0.3 1 388 109 109 ASP CB C 40.563 0.3 1 389 109 109 ASP N N 120.131 0.3 1 390 110 110 GLN H H 8.386 0.020 1 391 110 110 GLN CA C 57.668 0.3 1 392 110 110 GLN CB C 26.081 0.3 1 393 110 110 GLN N N 115.324 0.3 1 394 111 111 ALA H H 8.249 0.020 1 395 111 111 ALA CA C 53.076 0.3 1 396 111 111 ALA CB C 20.682 0.3 1 397 111 111 ALA N N 123.439 0.3 1 398 112 112 GLU H H 8.718 0.020 1 399 112 112 GLU CA C 56.603 0.3 1 400 112 112 GLU CB C 29.462 0.3 1 401 112 112 GLU N N 123.431 0.3 1 402 113 113 CYS H H 8.960 0.020 1 403 113 113 CYS CA C 57.474 0.3 1 404 113 113 CYS CB C 31.379 0.3 1 405 113 113 CYS N N 121.838 0.3 1 406 114 114 ILE H H 7.992 0.020 1 407 114 114 ILE CA C 60.241 0.3 1 408 114 114 ILE CB C 38.292 0.3 1 409 114 114 ILE N N 121.086 0.3 1 410 115 115 VAL H H 9.263 0.020 1 411 115 115 VAL CA C 60.847 0.3 1 412 115 115 VAL CB C 33.347 0.3 1 413 115 115 VAL N N 130.537 0.3 1 414 116 116 THR H H 8.415 0.020 1 415 116 116 THR CA C 62.130 0.3 1 416 116 116 THR N N 125.767 0.3 1 417 117 117 LEU H H 9.631 0.020 1 418 117 117 LEU CA C 53.581 0.3 1 419 117 117 LEU N N 128.322 0.3 1 420 118 118 TRP H H 8.938 0.020 1 421 118 118 TRP CA C 54.378 0.3 1 422 118 118 TRP CB C 31.278 0.3 1 423 118 118 TRP N N 121.625 0.3 1 424 119 119 ASN H H 9.225 0.020 1 425 119 119 ASN CA C 53.934 0.3 1 426 119 119 ASN CB C 35.870 0.3 1 427 119 119 ASN N N 128.204 0.3 1 428 120 120 GLY H H 8.829 0.020 1 429 120 120 GLY CA C 45.326 0.3 1 430 120 120 GLY N N 102.445 0.3 1 431 121 121 GLN H H 7.634 0.020 1 432 121 121 GLN CA C 51.649 0.3 1 433 121 121 GLN CB C 30.319 0.3 1 434 121 121 GLN N N 119.404 0.3 1 435 123 123 ILE H H 9.313 0.020 1 436 123 123 ILE CA C 60.983 0.3 1 437 123 123 ILE N N 116.287 0.3 1 438 124 124 SER H H 7.453 0.020 1 439 124 124 SER CA C 58.223 0.3 1 440 124 124 SER CB C 64.228 0.3 1 441 124 124 SER N N 114.103 0.3 1 442 125 125 VAL H H 8.028 0.020 1 443 125 125 VAL CA C 60.544 0.3 1 444 125 125 VAL CB C 35.517 0.3 1 445 125 125 VAL N N 121.181 0.3 1 446 126 126 THR H H 9.229 0.020 1 447 126 126 THR CA C 58.896 0.3 1 448 126 126 THR CB C 70.434 0.3 1 449 126 126 THR N N 123.559 0.3 1 450 129 129 ASN H H 8.557 0.020 1 451 129 129 ASN CA C 55.599 0.3 1 452 129 129 ASN CB C 38.292 0.3 1 453 129 129 ASN N N 120.243 0.3 1 454 130 130 PHE H H 7.724 0.020 1 455 130 130 PHE CA C 55.195 0.3 1 456 130 130 PHE CB C 41.925 0.3 1 457 130 130 PHE N N 112.201 0.3 1 458 131 131 VAL H H 8.485 0.020 1 459 131 131 VAL CA C 58.980 0.3 1 460 131 131 VAL CB C 35.718 0.3 1 461 131 131 VAL N N 114.373 0.3 1 462 132 132 GLU H H 8.231 0.020 1 463 132 132 GLU CA C 54.338 0.3 1 464 132 132 GLU CB C 29.714 0.3 1 465 132 132 GLU N N 122.230 0.3 1 466 133 133 LEU H H 8.883 0.020 1 467 133 133 LEU CA C 53.094 0.3 1 468 133 133 LEU CB C 49.393 0.3 1 469 133 133 LEU N N 122.586 0.3 1 470 136 136 VAL H H 9.052 0.020 1 471 136 136 VAL CA C 61.649 0.3 1 472 136 136 VAL N N 124.362 0.3 1 473 137 137 ASP H H 7.532 0.020 1 474 137 137 ASP CA C 55.448 0.3 1 475 137 137 ASP CB C 43.540 0.3 1 476 137 137 ASP N N 118.711 0.3 1 477 138 138 THR H H 7.471 0.020 1 478 138 138 THR CA C 62.007 0.3 1 479 138 138 THR CB C 68.062 0.3 1 480 138 138 THR N N 118.092 0.3 1 481 139 139 ASP H H 8.410 0.020 1 482 139 139 ASP CA C 52.818 0.3 1 483 139 139 ASP CB C 41.723 0.3 1 484 139 139 ASP N N 126.879 0.3 1 485 141 141 GLY H H 8.547 0.020 1 486 141 141 GLY CA C 45.503 0.3 1 487 141 141 GLY N N 107.317 0.3 1 488 142 142 LEU H H 7.916 0.020 1 489 142 142 LEU CA C 54.792 0.3 1 490 142 142 LEU CB C 42.429 0.3 1 491 142 142 LEU N N 121.635 0.3 1 492 143 143 LYS H H 8.236 0.020 1 493 143 143 LYS CA C 56.154 0.3 1 494 143 143 LYS CB C 32.893 0.3 1 495 143 143 LYS N N 120.841 0.3 1 496 144 144 GLY H H 8.263 0.020 1 497 144 144 GLY CA C 45.053 0.3 1 498 144 144 GLY N N 109.078 0.3 1 499 145 145 ASP H H 8.269 0.020 1 500 145 145 ASP CA C 54.085 0.3 1 501 145 145 ASP CB C 40.865 0.3 1 502 145 145 ASP N N 120.186 0.3 1 503 146 146 THR H H 8.088 0.020 1 504 146 146 THR CA C 62.361 0.3 1 505 146 146 THR CB C 69.172 0.3 1 506 146 146 THR N N 114.095 0.3 1 507 147 147 ALA H H 8.265 0.020 1 508 147 147 ALA CA C 52.622 0.3 1 509 147 147 ALA CB C 19.017 0.3 1 510 147 147 ALA N N 125.140 0.3 1 511 148 148 GLY H H 8.213 0.020 1 512 148 148 GLY CA C 45.558 0.3 1 513 148 148 GLY N N 107.728 0.3 1 514 149 149 THR H H 8.135 0.020 1 515 149 149 THR CA C 61.856 0.3 1 516 149 149 THR CB C 69.627 0.3 1 517 149 149 THR N N 112.153 0.3 1 518 150 150 GLY H H 8.616 0.020 1 519 150 150 GLY CA C 45.205 0.3 1 520 150 150 GLY N N 111.069 0.3 1 521 151 151 GLY H H 7.862 0.020 1 522 151 151 GLY CA C 44.801 0.3 1 523 151 151 GLY N N 107.483 0.3 1 524 152 152 LYS H H 9.197 0.020 1 525 152 152 LYS CA C 52.269 0.3 1 526 152 152 LYS CB C 33.549 0.3 1 527 152 152 LYS N N 118.452 0.3 1 528 154 154 ALA H H 8.977 0.020 1 529 154 154 ALA CA C 50.823 0.3 1 530 154 154 ALA CB C 22.347 0.3 1 531 154 154 ALA N N 126.040 0.3 1 532 155 155 THR H H 9.079 0.020 1 533 155 155 THR CA C 62.108 0.3 1 534 155 155 THR CB C 69.223 0.3 1 535 155 155 THR N N 118.335 0.3 1 536 156 156 LEU H H 9.374 0.020 1 537 156 156 LEU CA C 53.002 0.3 1 538 156 156 LEU N N 126.587 0.3 1 539 158 158 THR H H 6.663 0.020 1 540 158 158 THR CA C 61.419 0.3 1 541 158 158 THR CB C 70.383 0.3 1 542 158 158 THR N N 106.890 0.3 1 543 159 159 GLY H H 8.241 0.020 1 544 159 159 GLY CA C 44.095 0.3 1 545 159 159 GLY N N 109.637 0.3 1 546 160 160 ALA H H 6.794 0.020 1 547 160 160 ALA CA C 52.218 0.3 1 548 160 160 ALA CB C 19.572 0.3 1 549 160 160 ALA N N 120.841 0.3 1 550 161 161 VAL H H 8.205 0.020 1 551 161 161 VAL CA C 61.200 0.3 1 552 161 161 VAL CB C 32.842 0.3 1 553 161 161 VAL N N 121.780 0.3 1 554 162 162 VAL H H 8.868 0.020 1 555 162 162 VAL CA C 58.929 0.3 1 556 162 162 VAL CB C 36.475 0.3 1 557 162 162 VAL N N 123.644 0.3 1 558 163 163 LYS H H 8.290 0.020 1 559 163 163 LYS CA C 55.498 0.3 1 560 163 163 LYS CB C 32.085 0.3 1 561 163 163 LYS N N 123.275 0.3 1 562 164 164 VAL H H 8.679 0.020 1 563 164 164 VAL CA C 61.626 0.3 1 564 164 164 VAL CB C 32.089 0.3 1 565 164 164 VAL N N 123.614 0.3 1 566 166 166 LEU H H 8.098 0.020 1 567 166 166 LEU CA C 57.870 0.3 1 568 166 166 LEU CB C 41.319 0.3 1 569 166 166 LEU N N 115.953 0.3 1 570 167 167 PHE H H 6.364 0.020 1 571 167 167 PHE CA C 55.952 0.3 1 572 167 167 PHE CB C 37.838 0.3 1 573 167 167 PHE N N 108.441 0.3 1 574 168 168 VAL H H 6.848 0.020 1 575 168 168 VAL CA C 63.319 0.3 1 576 168 168 VAL CB C 31.026 0.3 1 577 168 168 VAL N N 124.329 0.3 1 578 171 171 GLY H H 8.609 0.020 1 579 171 171 GLY CA C 44.448 0.3 1 580 171 171 GLY N N 115.480 0.3 1 581 172 172 GLU H H 7.569 0.020 1 582 172 172 GLU CA C 57.113 0.3 1 583 172 172 GLU CB C 30.067 0.3 1 584 172 172 GLU N N 119.452 0.3 1 585 173 173 VAL H H 8.751 0.020 1 586 173 173 VAL CA C 61.465 0.3 1 587 173 173 VAL CB C 32.590 0.3 1 588 173 173 VAL N N 121.953 0.3 1 589 174 174 ILE H H 8.813 0.020 1 590 174 174 ILE CA C 58.526 0.3 1 591 174 174 ILE CB C 41.420 0.3 1 592 174 174 ILE N N 119.010 0.3 1 593 175 175 LYS H H 8.976 0.020 1 594 175 175 LYS CA C 54.768 0.3 1 595 175 175 LYS N N 123.419 0.3 1 596 176 176 VAL H H 9.181 0.020 1 597 176 176 VAL CA C 60.090 0.3 1 598 176 176 VAL N N 126.893 0.3 1 599 178 178 THR H H 8.620 0.020 1 600 178 178 THR CA C 63.269 0.3 1 601 178 178 THR CB C 67.861 0.3 1 602 178 178 THR N N 118.474 0.3 1 603 179 179 ARG H H 8.663 0.020 1 604 179 179 ARG CA C 57.773 0.3 1 605 179 179 ARG N N 122.422 0.3 1 606 180 180 SER H H 7.052 0.020 1 607 180 180 SER CA C 56.786 0.3 1 608 180 180 SER CB C 64.833 0.3 1 609 180 180 SER N N 109.184 0.3 1 610 181 181 GLY H H 8.432 0.020 1 611 181 181 GLY CA C 46.567 0.3 1 612 181 181 GLY N N 113.954 0.3 1 613 182 182 GLU H H 7.268 0.020 1 614 182 182 GLU CA C 54.994 0.3 1 615 182 182 GLU CB C 32.691 0.3 1 616 182 182 GLU N N 115.867 0.3 1 617 183 183 TYR H H 8.908 0.020 1 618 183 183 TYR CA C 59.722 0.3 1 619 183 183 TYR CB C 40.159 0.3 1 620 183 183 TYR N N 122.254 0.3 1 621 184 184 VAL H H 8.563 0.020 1 622 184 184 VAL CA C 63.415 0.3 1 623 184 184 VAL N N 126.916 0.3 1 624 186 186 ARG H H 8.518 0.020 1 625 186 186 ARG CA C 56.608 0.3 1 626 186 186 ARG CB C 31.783 0.3 1 627 186 186 ARG N N 120.762 0.3 1 628 187 187 VAL H H 8.739 0.020 1 629 187 187 VAL CA C 63.300 0.3 1 630 187 187 VAL CB C 32.035 0.3 1 631 187 187 VAL N N 124.927 0.3 1 632 188 188 LYS H H 7.920 0.020 1 633 188 188 LYS CA C 57.520 0.3 1 634 188 188 LYS CB C 33.650 0.3 1 635 188 188 LYS N N 128.026 0.3 1 stop_ save_