data_50309 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Leishmania major MCC BCCP backbone chemical shift assignments ; _BMRB_accession_number 50309 _BMRB_flat_file_name bmr50309.str _Entry_type original _Submission_date 2020-06-08 _Accession_date 2020-06-08 _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 Rajak Manoj K. . 2 Sundd Monica . . 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" 205 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-06 original BMRB . stop_ _Original_release_date 2020-06-08 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone chemical shift assignments of the Methylcrotonyl-CoA carboxylase's Biotin carboxyl carrier protein domain of Leishmania major ; _Citation_status 'in preparation' _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 Rajak Manoj K. . 2 Sundd Monica . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name "Methylcrotonyl-CoA carboxylase's biotin carboxyl carrier protein" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "Methylcrotonyl-CoA carboxylase's BCCP domain" $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MLTDGFGDASMAGGTSAKIV SPMPGKVSKFLVNSGDFVEK GQALMIVEAMKMEHPVKALQ DGQVSFLVKEGEVVGSDHVL ATVVQKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -19 MET 2 -18 GLY 3 -17 SER 4 -16 SER 5 -15 HIS 6 -14 HIS 7 -13 HIS 8 -12 HIS 9 -11 HIS 10 -10 HIS 11 -9 SER 12 -8 SER 13 -7 GLY 14 -6 LEU 15 -5 VAL 16 -4 PRO 17 -3 ARG 18 -2 GLY 19 -1 SER 20 0 HIS 21 1 MET 22 2 LEU 23 3 THR 24 4 ASP 25 5 GLY 26 6 PHE 27 7 GLY 28 8 ASP 29 9 ALA 30 10 SER 31 11 MET 32 12 ALA 33 13 GLY 34 14 GLY 35 15 THR 36 16 SER 37 17 ALA 38 18 LYS 39 19 ILE 40 20 VAL 41 21 SER 42 22 PRO 43 23 MET 44 24 PRO 45 25 GLY 46 26 LYS 47 27 VAL 48 28 SER 49 29 LYS 50 30 PHE 51 31 LEU 52 32 VAL 53 33 ASN 54 34 SER 55 35 GLY 56 36 ASP 57 37 PHE 58 38 VAL 59 39 GLU 60 40 LYS 61 41 GLY 62 42 GLN 63 43 ALA 64 44 LEU 65 45 MET 66 46 ILE 67 47 VAL 68 48 GLU 69 49 ALA 70 50 MET 71 51 LYS 72 52 MET 73 53 GLU 74 54 HIS 75 55 PRO 76 56 VAL 77 57 LYS 78 58 ALA 79 59 LEU 80 60 GLN 81 61 ASP 82 62 GLY 83 63 GLN 84 64 VAL 85 65 SER 86 66 PHE 87 67 LEU 88 68 VAL 89 69 LYS 90 70 GLU 91 71 GLY 92 72 GLU 93 73 VAL 94 74 VAL 95 75 GLY 96 76 SER 97 77 ASP 98 78 HIS 99 79 VAL 100 80 LEU 101 81 ALA 102 82 THR 103 83 VAL 104 84 VAL 105 85 GLN 106 86 LYS 107 87 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI 5654253 'methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 'Leishmania major' 5664 Eukaryota . Leishmania major Friedlin 'methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET28a 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 $entity_1 650 uM '[U-99% 13C; U-99% 15N]' 'Tris HCl buffer' 20 mM 'natural abundance' 'soduim chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 0.2 . M pH 8 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 protons' ppm 0 internal direct . . . 0.251449530 water H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 '[15N] ammonium chloride' N 15 'methyl protons' ppm 0 internal direct . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HNCA' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name "Methylcrotonyl-CoA carboxylase's BCCP domain" _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 16 36 SER C C 173.304 0.3 1 2 16 36 SER CA C 57.826 0.3 1 3 16 36 SER CB C 64.893 0.3 1 4 17 37 ALA H H 8.270 0.020 1 5 17 37 ALA C C 174.155 0.3 1 6 17 37 ALA CA C 51.169 0.3 1 7 17 37 ALA CB C 20.561 0.3 1 8 17 37 ALA N N 121.155 0.3 1 9 18 38 LYS H H 8.170 0.020 1 10 18 38 LYS C C 172.161 0.3 1 11 18 38 LYS CA C 55.701 0.3 1 12 18 38 LYS CB C 33.304 0.3 1 13 18 38 LYS N N 116.015 0.3 1 14 19 39 ILE H H 8.468 0.020 1 15 19 39 ILE C C 172.241 0.3 1 16 19 39 ILE CA C 58.432 0.3 1 17 19 39 ILE CB C 36.088 0.3 1 18 19 39 ILE N N 119.700 0.3 1 19 20 40 VAL H H 8.332 0.020 1 20 20 40 VAL C C 173.278 0.3 1 21 20 40 VAL CA C 58.459 0.3 1 22 20 40 VAL CB C 34.053 0.3 1 23 20 40 VAL N N 118.448 0.3 1 24 21 41 SER H H 8.886 0.020 1 25 21 41 SER CA C 55.448 0.3 1 26 21 41 SER CB C 62.537 0.3 1 27 21 41 SER N N 113.662 0.3 1 28 22 42 PRO C C 172.533 0.3 1 29 22 42 PRO CA C 63.214 0.3 1 30 22 42 PRO CB C 31.697 0.3 1 31 23 43 MET H H 7.260 0.020 1 32 23 43 MET CA C 52.555 0.3 1 33 23 43 MET CB C 32.340 0.3 1 34 23 43 MET N N 111.590 0.3 1 35 24 44 PRO C C 173.783 0.3 1 36 24 44 PRO CA C 61.511 0.3 1 37 24 44 PRO CB C 31.590 0.3 1 38 25 45 GLY H H 8.195 0.020 1 39 25 45 GLY C C 167.668 0.3 1 40 25 45 GLY CA C 45.581 0.3 1 41 25 45 GLY N N 104.240 0.3 1 42 26 46 LYS H H 8.439 0.020 1 43 26 46 LYS C C 173.304 0.3 1 44 26 46 LYS CA C 53.546 0.3 1 45 26 46 LYS CB C 35.552 0.3 1 46 26 46 LYS N N 117.204 0.3 1 47 27 47 VAL H H 8.938 0.020 1 48 27 47 VAL C C 172.427 0.3 1 49 27 47 VAL CA C 62.805 0.3 1 50 27 47 VAL CB C 30.198 0.3 1 51 27 47 VAL N N 123.382 0.3 1 52 28 48 SER H H 8.624 0.020 1 53 28 48 SER C C 172.374 0.3 1 54 28 48 SER CA C 58.818 0.3 1 55 28 48 SER CB C 64.143 0.3 1 56 28 48 SER N N 122.049 0.3 1 57 29 49 LYS H H 6.956 0.020 1 58 29 49 LYS C C 172.108 0.3 1 59 29 49 LYS CA C 54.908 0.3 1 60 29 49 LYS CB C 35.766 0.3 1 61 29 49 LYS N N 112.206 0.3 1 62 30 50 PHE H H 9.472 0.020 1 63 30 50 PHE C C 172.560 0.3 1 64 30 50 PHE CA C 54.675 0.3 1 65 30 50 PHE CB C 38.551 0.3 1 66 30 50 PHE N N 120.526 0.3 1 67 31 51 LEU H H 8.594 0.020 1 68 31 51 LEU C C 173.623 0.3 1 69 31 51 LEU CA C 54.443 0.3 1 70 31 51 LEU CB C 54.443 0.3 1 71 31 51 LEU N N 116.079 0.3 1 72 32 52 VAL H H 7.490 0.020 1 73 32 52 VAL C C 170.885 0.3 1 74 32 52 VAL CA C 58.159 0.3 1 75 32 52 VAL CB C 34.012 0.3 1 76 32 52 VAL N N 107.455 0.3 1 77 33 53 ASN H H 8.488 0.020 1 78 33 53 ASN C C 172.267 0.3 1 79 33 53 ASN CA C 51.153 0.3 1 80 33 53 ASN CB C 39.934 0.3 1 81 33 53 ASN N N 113.504 0.3 1 82 34 54 SER H H 8.666 0.020 1 83 34 54 SER C C 173.225 0.3 1 84 34 54 SER CA C 60.482 0.3 1 85 34 54 SER CB C 62.514 0.3 1 86 34 54 SER N N 112.107 0.3 1 87 35 55 GLY H H 8.871 0.020 1 88 35 55 GLY C C 171.496 0.3 1 89 35 55 GLY CA C 44.417 0.3 1 90 35 55 GLY N N 112.941 0.3 1 91 36 56 ASP H H 7.846 0.020 1 92 36 56 ASP C C 173.570 0.3 1 93 36 56 ASP CA C 54.443 0.3 1 94 36 56 ASP CB C 40.304 0.3 1 95 36 56 ASP N N 118.226 0.3 1 96 37 57 PHE H H 8.596 0.020 1 97 37 57 PHE C C 172.985 0.3 1 98 37 57 PHE CA C 54.521 0.3 1 99 37 57 PHE CB C 42.525 0.3 1 100 37 57 PHE N N 117.409 0.3 1 101 38 58 VAL H H 9.029 0.020 1 102 38 58 VAL C C 171.177 0.3 1 103 38 58 VAL CA C 57.850 0.3 1 104 38 58 VAL CB C 34.844 0.3 1 105 38 58 VAL N N 115.182 0.3 1 106 39 59 GLU H H 8.021 0.020 1 107 39 59 GLU C C 172.932 0.3 1 108 39 59 GLU CA C 52.856 0.3 1 109 39 59 GLU CB C 32.994 0.3 1 110 39 59 GLU N N 115.039 0.3 1 111 40 60 LYS H H 8.863 0.020 1 112 40 60 LYS C C 174.501 0.3 1 113 40 60 LYS CA C 58.314 0.3 1 114 40 60 LYS CB C 32.068 0.3 1 115 40 60 LYS N N 117.324 0.3 1 116 41 61 GLY H H 8.638 0.020 1 117 41 61 GLY C C 170.353 0.3 1 118 41 61 GLY CA C 44.494 0.3 1 119 41 61 GLY N N 111.160 0.3 1 120 42 62 GLN H H 8.377 0.020 1 121 42 62 GLN C C 173.384 0.3 1 122 42 62 GLN CA C 55.798 0.3 1 123 42 62 GLN CB C 29.570 0.3 1 124 42 62 GLN N N 119.159 0.3 1 125 43 63 ALA H H 8.841 0.020 1 126 43 63 ALA C C 173.756 0.3 1 127 43 63 ALA CA C 52.546 0.3 1 128 43 63 ALA CB C 18.280 0.3 1 129 43 63 ALA N N 124.989 0.3 1 130 44 64 LEU H H 9.308 0.020 1 131 44 64 LEU C C 174.846 0.3 1 132 44 64 LEU CA C 55.063 0.3 1 133 44 64 LEU CB C 45.209 0.3 1 134 44 64 LEU N N 115.540 0.3 1 135 45 65 MET H H 7.639 0.020 1 136 45 65 MET C C 168.784 0.3 1 137 45 65 MET CA C 53.746 0.3 1 138 45 65 MET CB C 35.400 0.3 1 139 45 65 MET N N 107.223 0.3 1 140 46 66 ILE H H 8.502 0.020 1 141 46 66 ILE C C 172.374 0.3 1 142 46 66 ILE CA C 58.547 0.3 1 143 46 66 ILE CB C 39.842 0.3 1 144 46 66 ILE N N 116.552 0.3 1 145 47 67 VAL H H 8.500 0.020 1 146 47 67 VAL C C 171.789 0.3 1 147 47 67 VAL CA C 60.405 0.3 1 148 47 67 VAL CB C 33.411 0.3 1 149 47 67 VAL N N 122.404 0.3 1 150 48 68 GLU H H 9.554 0.020 1 151 48 68 GLU C C 173.225 0.3 1 152 48 68 GLU CA C 54.172 0.3 1 153 48 68 GLU CB C 31.606 0.3 1 154 48 68 GLU N N 125.228 0.3 1 155 49 69 ALA H H 8.883 0.020 1 156 49 69 ALA CA C 51.695 0.3 1 157 49 69 ALA CB C 21.981 0.3 1 158 49 69 ALA N N 125.958 0.3 1 159 50 70 MET C C 172.586 0.3 1 160 50 70 MET CA C 56.069 0.3 1 161 50 70 MET CB C 29.663 0.3 1 162 51 71 LYS H H 8.747 0.020 1 163 51 71 LYS C C 172.533 0.3 1 164 51 71 LYS CA C 57.114 0.3 1 165 51 71 LYS CB C 29.663 0.3 1 166 51 71 LYS N N 106.275 0.3 1 167 52 72 MET H H 7.845 0.020 1 168 52 72 MET C C 171.496 0.3 1 169 52 72 MET CA C 53.708 0.3 1 170 52 72 MET CB C 34.844 0.3 1 171 52 72 MET N N 115.374 0.3 1 172 53 73 GLU H H 8.269 0.020 1 173 53 73 GLU C C 172.852 0.3 1 174 53 73 GLU CA C 55.643 0.3 1 175 53 73 GLU CB C 31.328 0.3 1 176 53 73 GLU N N 116.728 0.3 1 177 54 74 HIS H H 9.023 0.020 1 178 54 74 HIS CA C 52.856 0.3 1 179 54 74 HIS CB C 31.328 0.3 1 180 54 74 HIS N N 119.588 0.3 1 181 55 75 PRO C C 173.544 0.3 1 182 55 75 PRO CA C 62.323 0.3 1 183 55 75 PRO CB C 31.697 0.3 1 184 56 76 VAL H H 8.432 0.020 1 185 56 76 VAL C C 173.012 0.3 1 186 56 76 VAL CA C 61.489 0.3 1 187 56 76 VAL CB C 32.716 0.3 1 188 56 76 VAL N N 120.358 0.3 1 189 57 77 LYS H H 8.528 0.020 1 190 57 77 LYS C C 170.725 0.3 1 191 57 77 LYS CA C 54.559 0.3 1 192 57 77 LYS CB C 35.030 0.3 1 193 57 77 LYS N N 122.783 0.3 1 194 58 78 ALA H H 8.419 0.020 1 195 58 78 ALA C C 176.601 0.3 1 196 58 78 ALA CA C 52.391 0.3 1 197 58 78 ALA CB C 18.557 0.3 1 198 58 78 ALA N N 116.965 0.3 1 199 59 79 LEU H H 6.832 0.020 1 200 59 79 LEU C C 172.108 0.3 1 201 59 79 LEU CA C 55.024 0.3 1 202 59 79 LEU CB C 42.895 0.3 1 203 59 79 LEU N N 118.592 0.3 1 204 60 80 GLN H H 7.352 0.020 1 205 60 80 GLN C C 168.970 0.3 1 206 60 80 GLN CA C 52.895 0.3 1 207 60 80 GLN CB C 30.958 0.3 1 208 60 80 GLN N N 108.473 0.3 1 209 61 81 ASP H H 8.269 0.020 1 210 61 81 ASP C C 173.544 0.3 1 211 61 81 ASP CA C 52.779 0.3 1 212 61 81 ASP CB C 41.230 0.3 1 213 61 81 ASP N N 114.037 0.3 1 214 62 82 GLY H H 7.956 0.020 1 215 62 82 GLY C C 168.066 0.3 1 216 62 82 GLY CA C 44.533 0.3 1 217 62 82 GLY N N 101.442 0.3 1 218 63 83 GLN H H 8.610 0.020 1 219 63 83 GLN C C 173.703 0.3 1 220 63 83 GLN CA C 54.366 0.3 1 221 63 83 GLN CB C 29.847 0.3 1 222 63 83 GLN N N 115.995 0.3 1 223 64 84 VAL H H 8.567 0.020 1 224 64 84 VAL C C 170.778 0.3 1 225 64 84 VAL CA C 59.398 0.3 1 226 64 84 VAL CB C 33.826 0.3 1 227 64 84 VAL N N 124.836 0.3 1 228 65 85 SER H H 8.501 0.020 1 229 65 85 SER C C 170.778 0.3 1 230 65 85 SER CA C 56.805 0.3 1 231 65 85 SER CB C 64.365 0.3 1 232 65 85 SER N N 118.622 0.3 1 233 66 86 PHE H H 8.293 0.020 1 234 66 86 PHE C C 173.756 0.3 1 235 66 86 PHE CA C 56.611 0.3 1 236 66 86 PHE CB C 39.842 0.3 1 237 66 86 PHE N N 119.137 0.3 1 238 67 87 LEU H H 8.569 0.020 1 239 67 87 LEU C C 172.985 0.3 1 240 67 87 LEU CA C 56.611 0.3 1 241 67 87 LEU CB C 42.525 0.3 1 242 67 87 LEU N N 118.950 0.3 1 243 68 88 VAL H H 7.147 0.020 1 244 68 88 VAL C C 171.470 0.3 1 245 68 88 VAL CA C 57.695 0.3 1 246 68 88 VAL CB C 35.770 0.3 1 247 68 88 VAL N N 107.100 0.3 1 248 69 89 LYS H H 8.557 0.020 1 249 69 89 LYS C C 173.198 0.3 1 250 69 89 LYS CA C 53.979 0.3 1 251 69 89 LYS CB C 35.030 0.3 1 252 69 89 LYS N N 116.006 0.3 1 253 70 90 GLU H H 8.378 0.020 1 254 70 90 GLU C C 174.900 0.3 1 255 70 90 GLU CA C 58.430 0.3 1 256 70 90 GLU CB C 28.737 0.3 1 257 70 90 GLU N N 116.920 0.3 1 258 71 91 GLY H H 8.870 0.020 1 259 71 91 GLY C C 170.619 0.3 1 260 71 91 GLY CA C 44.533 0.3 1 261 71 91 GLY N N 110.770 0.3 1 262 72 92 GLU H H 7.639 0.020 1 263 72 92 GLU C C 172.427 0.3 1 264 72 92 GLU CA C 57.114 0.3 1 265 72 92 GLU CB C 30.958 0.3 1 266 72 92 GLU N N 118.218 0.3 1 267 73 93 VAL H H 8.364 0.020 1 268 73 93 VAL C C 173.517 0.3 1 269 73 93 VAL CA C 62.224 0.3 1 270 73 93 VAL CB C 31.162 0.3 1 271 73 93 VAL N N 122.052 0.3 1 272 74 94 VAL H H 9.020 0.020 1 273 74 94 VAL C C 173.304 0.3 1 274 74 94 VAL CA C 58.005 0.3 1 275 74 94 VAL CB C 34.752 0.3 1 276 74 94 VAL N N 116.802 0.3 1 277 75 95 GLY H H 8.473 0.020 1 278 75 95 GLY C C 171.151 0.3 1 279 75 95 GLY CA C 42.675 0.3 1 280 75 95 GLY N N 106.446 0.3 1 281 76 96 SER H H 8.364 0.020 1 282 76 96 SER C C 172.188 0.3 1 283 76 96 SER CA C 59.785 0.3 1 284 76 96 SER CB C 62.977 0.3 1 285 76 96 SER N N 109.556 0.3 1 286 77 97 ASP H H 8.857 0.020 1 287 77 97 ASP C C 171.629 0.3 1 288 77 97 ASP CA C 55.334 0.3 1 289 77 97 ASP CB C 39.564 0.3 1 290 77 97 ASP N N 115.612 0.3 1 291 78 98 HIS H H 7.380 0.020 1 292 78 98 HIS C C 173.092 0.3 1 293 78 98 HIS CA C 56.611 0.3 1 294 78 98 HIS CB C 33.456 0.3 1 295 78 98 HIS N N 116.960 0.3 1 296 79 99 VAL H H 8.484 0.020 1 297 79 99 VAL C C 172.214 0.3 1 298 79 99 VAL CA C 63.850 0.3 1 299 79 99 VAL CB C 29.940 0.3 1 300 79 99 VAL N N 122.988 0.3 1 301 80 100 LEU H H 9.020 0.020 1 302 80 100 LEU C C 172.560 0.3 1 303 80 100 LEU CA C 55.024 0.3 1 304 80 100 LEU CB C 43.080 0.3 1 305 80 100 LEU N N 123.208 0.3 1 306 81 101 ALA H H 7.845 0.020 1 307 81 101 ALA C C 171.629 0.3 1 308 81 101 ALA CA C 50.224 0.3 1 309 81 101 ALA CB C 21.704 0.3 1 310 81 101 ALA N N 113.093 0.3 1 311 82 102 THR H H 8.515 0.020 1 312 82 102 THR C C 174.022 0.3 1 313 82 102 THR CA C 59.089 0.3 1 314 82 102 THR CB C 71.398 0.3 1 315 82 102 THR N N 106.059 0.3 1 316 83 103 VAL H H 8.419 0.020 1 317 83 103 VAL C C 172.108 0.3 1 318 83 103 VAL CA C 61.102 0.3 1 319 83 103 VAL CB C 33.549 0.3 1 320 83 103 VAL N N 117.633 0.3 1 321 84 104 VAL H H 8.226 0.020 1 322 84 104 VAL C C 172.746 0.3 1 323 84 104 VAL CA C 60.443 0.3 1 324 84 104 VAL CB C 34.382 0.3 1 325 84 104 VAL N N 121.323 0.3 1 326 85 105 GLN H H 8.637 0.020 1 327 85 105 GLN C C 172.427 0.3 1 328 85 105 GLN CA C 55.334 0.3 1 329 85 105 GLN CB C 29.570 0.3 1 330 85 105 GLN N N 124.127 0.3 1 331 86 106 LYS H H 8.638 0.020 1 332 86 106 LYS C C 172.666 0.3 1 333 86 106 LYS CA C 55.837 0.3 1 334 86 106 LYS CB C 33.179 0.3 1 335 86 106 LYS N N 121.701 0.3 1 336 87 107 GLU H H 8.090 0.020 1 337 87 107 GLU CA C 57.656 0.3 1 338 87 107 GLU CB C 30.680 0.3 1 339 87 107 GLU N N 124.189 0.3 1 stop_ save_