data_25268 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SpoVM structure determination ; _BMRB_accession_number 25268 _BMRB_flat_file_name bmr25268.str _Entry_type original _Submission_date 2014-10-06 _Accession_date 2014-10-06 _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 Tian Fang . . 2 Rill Richard L. Jr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 140 "13C chemical shifts" 89 "15N chemical shifts" 22 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-30 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25270 'SpoVM P9A mutant' stop_ _Original_release_date 2015-03-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and mechanistic basis for the geometric-driven subcellular localication of a small protein' _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 Tian Fang . . 2 Rill Richard L. . 3 Castaining Jean-Philippe . . 4 Hsin Jen . . 5 Tan Irene S. . 6 Wang Xingshen . . 7 Huang Kerwyn-Casey . . 8 Ramamurthi Kumaran S. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _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 _Saveframe_category molecular_system _Mol_system_name SpoVM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight 3022.7605 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Molecule_1 _Molecular_mass 3022.7605 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; MKFYTIKLPKFLGGIVRAML GSFRKD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 PHE 4 TYR 5 THR 6 ILE 7 LYS 8 LEU 9 PRO 10 LYS 11 PHE 12 LEU 13 GLY 14 GLY 15 ILE 16 VAL 17 ARG 18 ALA 19 MET 20 LEU 21 GLY 22 SER 23 PHE 24 ARG 25 LYS 26 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MVH "Structure Determination Of Stage V Sporulation Protein M (spovm)" 100.00 26 100.00 100.00 3.61e-08 EMBL CAA74254 "SpoVM [Bacillus subtilis subsp. subtilis str. 168]" 100.00 26 100.00 100.00 3.61e-08 EMBL CAB13454 "factor required for normal spore cortex and coat synthesis (stage V sporulation) [Bacillus subtilis subsp. subtilis str. 168]" 100.00 26 100.00 100.00 3.61e-08 GB AAC36809 "spoVM [Bacillus subtilis]" 100.00 26 100.00 100.00 3.61e-08 GB AAU23337 "SpoVM [Bacillus licheniformis DSM 13 = ATCC 14580]" 100.00 26 100.00 100.00 3.61e-08 GB AAU40697 "spore coat morphogenetic protein SpoVM [Bacillus licheniformis DSM 13 = ATCC 14580]" 100.00 26 100.00 100.00 3.61e-08 GB ADM37675 "factor required for normal spore cortex and coat synthesis (stage V sporulation) [Bacillus subtilis subsp. spizizenii str. W23]" 100.00 26 100.00 100.00 3.61e-08 GB ADV96607 "stage V sporulation protein M [Bacillus subtilis BSn5]" 100.00 26 100.00 100.00 3.61e-08 REF NP_389463 "stage V sporulation protein M [Bacillus subtilis subsp. subtilis str. 168]" 100.00 26 100.00 100.00 3.61e-08 REF WP_003221545 "MULTISPECIES: stage V sporulation protein M [Bacillales]" 100.00 26 100.00 100.00 3.61e-08 SP P37817 "RecName: Full=Stage V sporulation protein M" 100.00 26 100.00 100.00 3.61e-08 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity firmicutes 1423 Bacteria . Bacillus subtilis 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 $entity 'recombinant technology' . Escherichia coli . pKR205 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C, 15N- SpoVM in 16 mM phopsphate (pH 6.), 80 mM NaCl, 16% deuterated DMPC/DHPC (q=0.3)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 1 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 16 mM . . 'natural abundance' 'sodium chloride' 80 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 temperature 310 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 80 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.756 internal direct . . . 1 water C 13 protons ppm 4.756 na indirect . . . 1 water N 15 protons ppm 4.756 na indirect . . . 1 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrView file /home/ccpn/svn_web/ccpnmrweb/webapps/uploads/T9tW8iY9eE9jH4eB7jO2lI4vN5cA8bW3vB3nN1jN7kE2oX6tQ9sP6mQ9qJ4s/ppm.out' loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HCCH-TOCSY' 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 entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.925 . 1 2 1 1 MET HB3 H 2.024 . 1 3 1 1 MET HG3 H 2.504 . 1 4 1 1 MET HE H 2.086 . 1 5 1 1 MET CA C 55.655 . 1 6 1 1 MET CB C 34.800 . 1 7 1 1 MET CG C 31.600 . 1 8 1 1 MET CE C 17.210 . 1 9 2 2 LYS HA H 4.400 . 1 10 2 2 LYS HB3 H 1.900 . 1 11 2 2 LYS HG3 H 1.500 . 1 12 2 2 LYS HD3 H 1.750 . 1 13 2 2 LYS HE3 H 3.000 . 1 14 2 2 LYS CA C 56.200 . 1 15 2 2 LYS CB C 33.300 . 1 16 2 2 LYS CG C 24.600 . 1 17 2 2 LYS CD C 28.950 . 1 18 2 2 LYS CE C 42.000 . 1 19 3 3 PHE H H 8.333 . 1 20 3 3 PHE HA H 4.554 . 1 21 3 3 PHE HB2 H 3.014 . 1 22 3 3 PHE HB3 H 3.068 . 1 23 3 3 PHE HD1 H 7.212 . 1 24 3 3 PHE HD2 H 7.212 . 1 25 3 3 PHE CA C 58.080 . 1 26 3 3 PHE CB C 40.155 . 1 27 3 3 PHE N N 120.647 . 1 28 4 4 TYR H H 7.835 . 1 29 4 4 TYR HA H 4.484 . 1 30 4 4 TYR HB2 H 2.945 . 1 31 4 4 TYR HB3 H 3.047 . 1 32 4 4 TYR HD1 H 7.047 . 1 33 4 4 TYR HD2 H 7.047 . 1 34 4 4 TYR HE1 H 6.845 . 1 35 4 4 TYR HE2 H 6.845 . 1 36 4 4 TYR CA C 58.100 . 1 37 4 4 TYR CB C 38.700 . 1 38 4 4 TYR N N 119.545 . 1 39 5 5 THR H H 7.921 . 1 40 5 5 THR HA H 4.327 . 1 41 5 5 THR HB H 4.248 . 1 42 5 5 THR HG2 H 1.175 . 1 43 5 5 THR CA C 62.200 . 1 44 5 5 THR CB C 69.500 . 1 45 5 5 THR CG2 C 21.865 . 1 46 5 5 THR N N 113.849 . 1 47 6 6 ILE H H 7.877 . 1 48 6 6 ILE HA H 4.242 . 1 49 6 6 ILE HB H 1.951 . 1 50 6 6 ILE HG12 H 1.579 . 1 51 6 6 ILE HG13 H 1.235 . 1 52 6 6 ILE HG2 H 0.920 . 1 53 6 6 ILE HD1 H 0.896 . 1 54 6 6 ILE CA C 60.900 . 1 55 6 6 ILE CB C 39.278 . 1 56 6 6 ILE CG1 C 27.561 . 1 57 6 6 ILE CG2 C 17.708 . 1 58 6 6 ILE CD1 C 13.588 . 1 59 6 6 ILE N N 121.812 . 1 60 7 7 LYS H H 8.210 . 1 61 7 7 LYS HA H 4.466 . 1 62 7 7 LYS HB3 H 1.900 . 1 63 7 7 LYS HG3 H 1.500 . 1 64 7 7 LYS HD3 H 1.750 . 1 65 7 7 LYS HE3 H 3.000 . 1 66 7 7 LYS CA C 56.200 . 1 67 7 7 LYS CB C 33.300 . 1 68 7 7 LYS CG C 24.600 . 1 69 7 7 LYS CD C 28.950 . 1 70 7 7 LYS CE C 42.000 . 1 71 7 7 LYS N N 124.588 . 1 72 8 8 LEU H H 8.421 . 1 73 8 8 LEU HA H 4.508 . 1 74 8 8 LEU HB2 H 1.543 . 1 75 8 8 LEU HB3 H 1.726 . 1 76 8 8 LEU HG H 1.759 . 1 77 8 8 LEU HD1 H 0.957 . 1 78 8 8 LEU HD2 H 0.912 . 1 79 8 8 LEU CA C 54.900 . 1 80 8 8 LEU CB C 41.800 . 1 81 8 8 LEU CG C 27.122 . 1 82 8 8 LEU CD1 C 25.500 . 1 83 8 8 LEU CD2 C 24.323 . 1 84 8 8 LEU N N 123.110 . 1 85 9 9 PRO HA H 4.451 . 1 86 9 9 PRO HB2 H 1.804 . 1 87 9 9 PRO HB3 H 2.453 . 1 88 9 9 PRO HG2 H 2.070 . 1 89 9 9 PRO HG3 H 2.020 . 1 90 9 9 PRO HD2 H 3.526 . 1 91 9 9 PRO HD3 H 3.963 . 1 92 9 9 PRO CA C 63.800 . 1 93 9 9 PRO CB C 31.900 . 1 94 9 9 PRO CG C 28.184 . 1 95 9 9 PRO CD C 50.300 . 1 96 10 10 LYS HA H 4.099 . 1 97 10 10 LYS HB3 H 1.953 . 1 98 10 10 LYS HG2 H 1.489 . 1 99 10 10 LYS HG3 H 1.592 . 1 100 10 10 LYS HD3 H 1.751 . 1 101 10 10 LYS HE3 H 3.056 . 1 102 10 10 LYS CA C 59.200 . 1 103 10 10 LYS CB C 32.400 . 1 104 10 10 LYS CG C 25.500 . 1 105 10 10 LYS CD C 29.200 . 1 106 10 10 LYS CE C 41.900 . 1 107 11 11 PHE H H 8.385 . 1 108 11 11 PHE HA H 4.573 . 1 109 11 11 PHE HB2 H 3.209 . 1 110 11 11 PHE HB3 H 3.366 . 1 111 11 11 PHE HD1 H 7.349 . 1 112 11 11 PHE HD2 H 7.349 . 1 113 11 11 PHE CA C 59.646 . 1 114 11 11 PHE CB C 38.700 . 1 115 11 11 PHE N N 117.741 . 1 116 12 12 LEU H H 7.717 . 1 117 12 12 LEU HA H 4.045 . 1 118 12 12 LEU HB2 H 1.534 . 1 119 12 12 LEU HB3 H 1.637 . 1 120 12 12 LEU HD1 H 0.917 . 1 121 12 12 LEU HD2 H 0.880 . 1 122 12 12 LEU CA C 56.935 . 1 123 12 12 LEU CB C 42.158 . 1 124 12 12 LEU CG C 26.700 . 1 125 12 12 LEU CD1 C 25.289 . 1 126 12 12 LEU CD2 C 24.212 . 1 127 12 12 LEU N N 118.903 . 1 128 13 13 GLY H H 8.402 . 1 129 13 13 GLY HA2 H 4.062 . 1 130 13 13 GLY HA3 H 3.690 . 1 131 13 13 GLY CA C 47.544 . 1 132 13 13 GLY N N 106.373 . 1 133 14 14 GLY H H 8.110 . 1 134 14 14 GLY HA3 H 3.965 . 1 135 14 14 GLY CA C 47.000 . 1 136 14 14 GLY N N 108.291 . 1 137 15 15 ILE H H 7.723 . 1 138 15 15 ILE HA H 3.861 . 1 139 15 15 ILE HB H 2.053 . 1 140 15 15 ILE HG12 H 1.731 . 1 141 15 15 ILE HG13 H 1.169 . 1 142 15 15 ILE HG2 H 0.951 . 1 143 15 15 ILE HD1 H 0.853 . 1 144 15 15 ILE CA C 64.570 . 1 145 15 15 ILE CB C 37.851 . 1 146 15 15 ILE CG1 C 28.813 . 1 147 15 15 ILE CG2 C 17.568 . 1 148 15 15 ILE CD1 C 13.501 . 1 149 15 15 ILE N N 121.990 . 1 150 16 16 VAL H H 8.049 . 1 151 16 16 VAL HA H 3.612 . 1 152 16 16 VAL HB H 2.234 . 1 153 16 16 VAL HG1 H 0.968 . 1 154 16 16 VAL HG2 H 1.060 . 1 155 16 16 VAL CA C 67.200 . 1 156 16 16 VAL CB C 31.342 . 1 157 16 16 VAL CG1 C 21.854 . 1 158 16 16 VAL CG2 C 23.254 . 1 159 16 16 VAL N N 119.530 . 1 160 17 17 ARG H H 8.247 . 1 161 17 17 ARG HA H 3.962 . 1 162 17 17 ARG HB3 H 1.955 . 1 163 17 17 ARG HG2 H 1.866 . 1 164 17 17 ARG HG3 H 1.630 . 1 165 17 17 ARG HD3 H 3.250 . 1 166 17 17 ARG CA C 60.100 . 1 167 17 17 ARG CB C 30.100 . 1 168 17 17 ARG CG C 28.500 . 1 169 17 17 ARG CD C 43.200 . 1 170 17 17 ARG N N 118.293 . 1 171 18 18 ALA H H 7.874 . 1 172 18 18 ALA HA H 4.226 . 1 173 18 18 ALA HB H 1.565 . 1 174 18 18 ALA CA C 54.700 . 1 175 18 18 ALA CB C 18.306 . 1 176 18 18 ALA N N 121.103 . 1 177 19 19 MET H H 8.174 . 1 178 19 19 MET HA H 4.192 . 1 179 19 19 MET HB2 H 2.151 . 1 180 19 19 MET HB3 H 2.312 . 1 181 19 19 MET HG2 H 2.539 . 1 182 19 19 MET HG3 H 2.809 . 1 183 19 19 MET HE H 2.037 . 1 184 19 19 MET CA C 58.650 . 1 185 19 19 MET CB C 33.413 . 1 186 19 19 MET CG C 32.789 . 1 187 19 19 MET CE C 17.296 . 1 188 19 19 MET N N 116.847 . 1 189 20 20 LEU H H 8.178 . 1 190 20 20 LEU HA H 4.271 . 1 191 20 20 LEU HB2 H 1.676 . 1 192 20 20 LEU HB3 H 1.900 . 1 193 20 20 LEU HG H 1.929 . 1 194 20 20 LEU HD1 H 0.927 . 1 195 20 20 LEU HD2 H 0.910 . 1 196 20 20 LEU CA C 56.878 . 1 197 20 20 LEU CB C 41.900 . 1 198 20 20 LEU CG C 27.115 . 1 199 20 20 LEU CD1 C 25.771 . 1 200 20 20 LEU CD2 C 23.385 . 1 201 20 20 LEU N N 117.531 . 1 202 21 21 GLY H H 8.006 . 1 203 21 21 GLY HA3 H 4.009 . 1 204 21 21 GLY CA C 46.400 . 1 205 21 21 GLY N N 105.942 . 1 206 22 22 SER H H 7.859 . 1 207 22 22 SER HA H 4.273 . 1 208 22 22 SER HB3 H 3.805 . 1 209 22 22 SER CA C 59.500 . 1 210 22 22 SER CB C 63.580 . 1 211 22 22 SER N N 115.031 . 1 212 23 23 PHE H H 7.837 . 1 213 23 23 PHE HA H 4.621 . 1 214 23 23 PHE HB2 H 3.295 . 1 215 23 23 PHE HB3 H 3.069 . 1 216 23 23 PHE HD1 H 7.383 . 1 217 23 23 PHE HD2 H 7.383 . 1 218 23 23 PHE CA C 58.100 . 1 219 23 23 PHE CB C 39.670 . 1 220 23 23 PHE N N 119.803 . 1 221 24 24 ARG H H 7.886 . 1 222 24 24 ARG HA H 4.366 . 1 223 24 24 ARG HB2 H 1.820 . 1 224 24 24 ARG HB3 H 1.940 . 1 225 24 24 ARG HG2 H 1.629 . 1 226 24 24 ARG HG3 H 1.676 . 1 227 24 24 ARG HD3 H 3.236 . 1 228 24 24 ARG CA C 55.980 . 1 229 24 24 ARG CB C 31.152 . 1 230 24 24 ARG CG C 27.140 . 1 231 24 24 ARG CD C 43.550 . 1 232 24 24 ARG N N 120.811 . 1 233 25 25 LYS H H 8.359 . 1 234 25 25 LYS HA H 4.400 . 1 235 25 25 LYS HB3 H 1.900 . 1 236 25 25 LYS HG3 H 1.500 . 1 237 25 25 LYS HD3 H 1.750 . 1 238 25 25 LYS HE3 H 3.000 . 1 239 25 25 LYS CA C 56.200 . 1 240 25 25 LYS CB C 33.300 . 1 241 25 25 LYS CG C 24.600 . 1 242 25 25 LYS CD C 28.950 . 1 243 25 25 LYS CE C 42.000 . 1 244 25 25 LYS N N 123.162 . 1 245 26 26 ASP H H 7.970 . 1 246 26 26 ASP HA H 4.416 . 1 247 26 26 ASP HB2 H 2.590 . 1 248 26 26 ASP HB3 H 2.686 . 1 249 26 26 ASP CA C 55.500 . 1 250 26 26 ASP CB C 42.400 . 1 251 26 26 ASP N N 126.983 . 1 stop_ save_