data_26652 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N assignments of the Pleckstrin Homology Domain of Akt1 bound to Calmodulin. ; _BMRB_accession_number 26652 _BMRB_flat_file_name bmr26652.str _Entry_type original _Submission_date 2015-09-08 _Accession_date 2015-09-08 _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 Agamasu Constance . . 2 Ghanma Ruba . . 3 Saad Jamil . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 85 "13C chemical shifts" 92 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-08 update BMRB 'update entry citation' 2015-10-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26651 Akt_PHD stop_ _Original_release_date 2015-10-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Biophysical Characterization of the Interactions between Calmodulin and the Pleckstrin Homology Domain of Akt ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26391397 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Agamasu Constance . . 2 Ghanma Ruba . . 3 Saad Jamil . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 290 _Journal_issue 45 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27403 _Page_last 27413 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Akt_PHD in complex with Calmodulin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Akt PHD' $Akt_PHD stop_ _System_molecular_weight 13456.2528 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Akt_PHD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Akt_PHD _Molecular_mass 13456.2528 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; SNDVAIVKEGWLHKRGEYIK TWRPRYFLLKNDGTFIGYKE RPQDVDQRESPLNNFSVAQC QLMKTERPRPNTFIIRCLQW TTVIERTFHVETPEEREEWA TAIQTVADGLKRQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 ASN 3 3 ASP 4 4 VAL 5 5 ALA 6 6 ILE 7 7 VAL 8 8 LYS 9 9 GLU 10 10 GLY 11 11 TRP 12 12 LEU 13 13 HIS 14 14 LYS 15 15 ARG 16 16 GLY 17 17 GLU 18 18 TYR 19 19 ILE 20 20 LYS 21 21 THR 22 22 TRP 23 23 ARG 24 24 PRO 25 25 ARG 26 26 TYR 27 27 PHE 28 28 LEU 29 29 LEU 30 30 LYS 31 31 ASN 32 32 ASP 33 33 GLY 34 34 THR 35 35 PHE 36 36 ILE 37 37 GLY 38 38 TYR 39 39 LYS 40 40 GLU 41 41 ARG 42 42 PRO 43 43 GLN 44 44 ASP 45 45 VAL 46 46 ASP 47 47 GLN 48 48 ARG 49 49 GLU 50 50 SER 51 51 PRO 52 52 LEU 53 53 ASN 54 54 ASN 55 55 PHE 56 56 SER 57 57 VAL 58 58 ALA 59 59 GLN 60 60 CYS 61 61 GLN 62 62 LEU 63 63 MET 64 64 LYS 65 65 THR 66 66 GLU 67 67 ARG 68 68 PRO 69 69 ARG 70 70 PRO 71 71 ASN 72 72 THR 73 73 PHE 74 74 ILE 75 75 ILE 76 76 ARG 77 77 CYS 78 78 LEU 79 79 GLN 80 80 TRP 81 81 THR 82 82 THR 83 83 VAL 84 84 ILE 85 85 GLU 86 86 ARG 87 87 THR 88 88 PHE 89 89 HIS 90 90 VAL 91 91 GLU 92 92 THR 93 93 PRO 94 94 GLU 95 95 GLU 96 96 ARG 97 97 GLU 98 98 GLU 99 99 TRP 100 100 ALA 101 101 THR 102 102 ALA 103 103 ILE 104 104 GLN 105 105 THR 106 106 VAL 107 107 ALA 108 108 ASP 109 109 GLY 110 110 LEU 111 111 LYS 112 112 ARG 113 113 GLN 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 $Akt_PHD Mouse 10090 Eukaryota Metazoa Mus musculus 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 $Akt_PHD 'recombinant technology' e.coli Escherichia coli . pET-28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Akt_PHD 0.2 mM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_15N-13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Akt_PHD 0.2 mM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Data Analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_NMR_PIPE _Saveframe_category software _Name NMR_PIPE _Version 2014 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Data Processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $15N save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N-13C save_ ####################### # Sample conditions # ####################### save_Akt(PHD) _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.450 . M pH 6.500 . pH pressure 1.000 . atm temperature 303.000 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 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_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCA' stop_ loop_ _Sample_label $15N $15N-13C stop_ _Sample_conditions_label $Akt(PHD) _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Akt PHD' _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 ASN CA C 53.462 . 1 2 3 3 ASP H H 8.344 0.001 1 3 3 3 ASP CA C 54.386 0.083 1 4 3 3 ASP N N 120.934 0.019 1 5 4 4 VAL H H 8.085 0.001 1 6 4 4 VAL CA C 62.472 0.043 1 7 4 4 VAL N N 121.778 0.049 1 8 5 5 ALA H H 8.099 0.001 1 9 5 5 ALA CA C 51.260 0.078 1 10 5 5 ALA N N 108.200 0.017 1 11 6 6 ILE H H 8.412 0.004 1 12 6 6 ILE CA C 61.878 0.066 1 13 6 6 ILE N N 120.347 0.028 1 14 7 7 VAL H H 9.365 0.008 1 15 7 7 VAL CA C 63.897 0.045 1 16 7 7 VAL N N 109.109 0.019 1 17 8 8 LYS H H 7.463 0.012 1 18 8 8 LYS CA C 55.598 0.094 1 19 8 8 LYS N N 119.663 0.213 1 20 9 9 GLU H H 8.104 0.009 1 21 9 9 GLU CA C 53.805 0.036 1 22 9 9 GLU N N 120.717 0.017 1 23 10 10 GLY H H 8.482 0.006 1 24 10 10 GLY CA C 45.340 0.026 1 25 10 10 GLY N N 107.365 0.008 1 26 11 11 TRP H H 8.725 0.003 1 27 11 11 TRP HE1 H 10.446 . 1 28 11 11 TRP CA C 58.020 0.042 1 29 11 11 TRP N N 118.924 0.008 1 30 11 11 TRP NE1 N 129.502 . 1 31 12 12 LEU H H 9.624 0.026 1 32 12 12 LEU CA C 53.939 0.028 1 33 12 12 LEU N N 121.732 0.008 1 34 13 13 HIS H H 8.402 0.005 1 35 13 13 HIS CA C 55.974 0.021 1 36 13 13 HIS N N 118.161 0.039 1 37 14 14 LYS H H 9.430 0.008 1 38 14 14 LYS CA C 54.725 0.088 1 39 14 14 LYS N N 125.540 0.079 1 40 15 15 ARG H H 8.102 0.008 1 41 15 15 ARG CA C 55.858 . 1 42 15 15 ARG N N 111.872 0.201 1 43 21 21 THR CA C 60.191 . 1 44 22 22 TRP H H 8.858 0.025 1 45 22 22 TRP HE1 H 10.468 . 1 46 22 22 TRP CA C 55.649 0.012 1 47 22 22 TRP N N 123.696 0.16 1 48 22 22 TRP NE1 N 131.424 . 1 49 23 23 ARG H H 8.839 0.012 1 50 23 23 ARG CA C 54.049 . 1 51 23 23 ARG N N 122.129 0.023 1 52 24 24 PRO CA C 62.637 . 1 53 25 25 ARG H H 9.643 0.005 1 54 25 25 ARG CA C 54.589 0.088 1 55 25 25 ARG N N 126.075 0.198 1 56 26 26 TYR H H 8.774 0.005 1 57 26 26 TYR CA C 58.165 0.079 1 58 26 26 TYR N N 126.422 0.108 1 59 27 27 PHE H H 8.586 0.004 1 60 27 27 PHE CA C 56.092 0.097 1 61 27 27 PHE N N 108.456 0.017 1 62 28 28 LEU H H 9.248 0.008 1 63 28 28 LEU CA C 55.280 0.089 1 64 28 28 LEU N N 117.372 0.071 1 65 29 29 LEU H H 9.125 0.014 1 66 29 29 LEU CA C 53.132 0.034 1 67 29 29 LEU N N 123.671 0.006 1 68 30 30 LYS H H 9.312 0.006 1 69 30 30 LYS CA C 54.678 0.022 1 70 30 30 LYS N N 126.019 0.043 1 71 31 31 ASN H H 8.762 0.004 1 72 31 31 ASN CA C 55.110 0.009 1 73 31 31 ASN N N 117.271 0.028 1 74 32 32 ASP H H 7.447 0.007 1 75 32 32 ASP CA C 52.899 0.09 1 76 32 32 ASP N N 116.287 0.008 1 77 33 33 GLY H H 8.229 0.007 1 78 33 33 GLY CA C 45.105 0.028 1 79 33 33 GLY N N 107.740 0.03 1 80 34 34 THR H H 8.062 0.012 1 81 34 34 THR CA C 64.722 0.036 1 82 34 34 THR N N 115.878 0.109 1 83 35 35 PHE H H 8.762 0.007 1 84 35 35 PHE CA C 54.618 0.039 1 85 35 35 PHE N N 110.218 0.02 1 86 36 36 ILE H H 8.701 0.013 1 87 36 36 ILE CA C 56.683 2.243 1 88 36 36 ILE N N 122.620 0.015 1 89 37 37 GLY H H 8.271 0.012 1 90 37 37 GLY CA C 42.741 0.083 1 91 37 37 GLY N N 111.488 0.091 1 92 38 38 TYR H H 8.858 0.008 1 93 38 38 TYR CA C 57.163 0.067 1 94 38 38 TYR N N 120.847 0.157 1 95 39 39 LYS H H 9.145 0.008 1 96 39 39 LYS CA C 59.174 0.064 1 97 39 39 LYS N N 121.224 0.04 1 98 40 40 GLU H H 7.495 0.015 1 99 40 40 GLU CA C 53.771 0.001 1 100 40 40 GLU N N 112.664 0.098 1 101 41 41 ARG H H 8.304 0.018 1 102 41 41 ARG CA C 54.689 . 1 103 41 41 ARG N N 122.594 0.042 1 104 44 44 ASP CA C 54.856 . 1 105 45 45 VAL H H 8.534 0.009 1 106 45 45 VAL CA C 63.615 0.082 1 107 45 45 VAL N N 120.451 0.045 1 108 46 46 ASP H H 8.890 0.004 1 109 46 46 ASP CA C 55.887 0.023 1 110 46 46 ASP N N 123.583 0.066 1 111 47 47 GLN H H 9.330 0.006 1 112 47 47 GLN CA C 55.469 . 1 113 47 47 GLN N N 117.937 0.075 1 114 48 48 ARG H H 7.233 0.007 1 115 48 48 ARG CA C 58.603 0.036 1 116 48 48 ARG N N 117.485 0.116 1 117 49 49 GLU H H 8.555 0.018 1 118 49 49 GLU CA C 59.371 0.083 1 119 49 49 GLU N N 116.695 0.015 1 120 50 50 SER H H 7.226 0.009 1 121 50 50 SER CA C 57.779 . 1 122 50 50 SER N N 124.992 0.021 1 123 51 51 PRO CA C 63.127 . 1 124 52 52 LEU H H 8.177 0.012 1 125 52 52 LEU CA C 55.671 0.061 1 126 52 52 LEU N N 121.039 0.074 1 127 53 53 ASN H H 7.583 0.005 1 128 53 53 ASN CA C 52.580 0.063 1 129 53 53 ASN N N 114.775 0.161 1 130 54 54 ASN H H 8.820 0.001 1 131 54 54 ASN CA C 53.423 . 1 132 54 54 ASN N N 121.038 0.014 1 133 55 55 PHE H H 8.442 0.021 1 134 55 55 PHE CA C 55.684 0.01 1 135 55 55 PHE N N 122.031 0.147 1 136 56 56 SER H H 8.419 0.01 1 137 56 56 SER CA C 55.321 0.065 1 138 56 56 SER N N 113.898 0.008 1 139 57 57 VAL H H 8.821 0.011 1 140 57 57 VAL CA C 61.746 0.074 1 141 57 57 VAL N N 118.737 0.152 1 142 58 58 ALA H H 8.073 0.002 1 143 58 58 ALA CA C 54.787 . 1 144 58 58 ALA N N 123.959 0.007 1 145 59 59 GLN CA C 56.162 . 1 146 60 60 CYS H H 7.629 0.005 1 147 60 60 CYS CA C 57.216 . 1 148 60 60 CYS N N 116.575 0.012 1 149 61 61 GLN H H 9.014 0.006 1 150 61 61 GLN CA C 54.627 0.004 1 151 61 61 GLN N N 120.057 0.038 1 152 62 62 LEU H H 8.817 0.004 1 153 62 62 LEU CA C 54.064 0.297 1 154 62 62 LEU N N 125.961 0.128 1 155 63 63 MET H H 9.448 0.001 1 156 63 63 MET CA C 54.623 0.008 1 157 63 63 MET N N 125.426 0.041 1 158 64 64 LYS H H 8.956 0.005 1 159 64 64 LYS CA C 56.692 0.004 1 160 64 64 LYS N N 124.579 0.044 1 161 65 65 THR H H 8.114 0.015 1 162 65 65 THR CA C 59.994 0.039 1 163 65 65 THR N N 116.370 0.091 1 164 66 66 GLU H H 8.372 0.001 1 165 66 66 GLU CA C 53.278 0.064 1 166 66 66 GLU N N 119.872 0.026 1 167 67 67 ARG H H 7.773 0.003 1 168 67 67 ARG CA C 52.233 . 1 169 67 67 ARG N N 117.864 0.105 1 170 68 68 PRO CA C 63.939 . 1 171 69 69 ARG H H 7.155 0.006 1 172 69 69 ARG CA C 52.566 . 1 173 69 69 ARG N N 119.012 0.059 1 174 70 70 PRO CA C 62.978 . 1 175 71 71 ASN H H 8.910 0.001 1 176 71 71 ASN CA C 54.857 0.008 1 177 71 71 ASN N N 113.415 0.114 1 178 72 72 THR H H 7.572 0.004 1 179 72 72 THR CA C 63.287 . 1 180 72 72 THR N N 116.016 0.022 1 181 73 73 PHE H H 9.472 0.012 1 182 73 73 PHE CA C 56.717 0.03 1 183 73 73 PHE N N 122.424 0.035 1 184 74 74 ILE H H 9.334 0.006 1 185 74 74 ILE CA C 59.120 0.017 1 186 74 74 ILE N N 121.888 0.055 1 187 75 75 ILE H H 9.250 0.004 1 188 75 75 ILE CA C 59.836 . 1 189 75 75 ILE N N 123.532 0.044 1 190 87 87 THR CA C 63.521 . 1 191 88 88 PHE H H 8.697 0.003 1 192 88 88 PHE CA C 56.497 0.046 1 193 88 88 PHE N N 119.451 0.035 1 194 89 89 HIS H H 7.983 0.003 1 195 89 89 HIS CA C 54.289 0.004 1 196 89 89 HIS N N 119.015 0.042 1 197 90 90 VAL H H 7.818 0.002 1 198 90 90 VAL CA C 62.579 0.06 1 199 90 90 VAL N N 116.937 0.088 1 200 91 91 GLU H H 8.150 0.003 1 201 91 91 GLU CA C 56.031 . 1 202 91 91 GLU N N 120.881 0.146 1 203 93 93 PRO CA C 64.823 . 1 204 94 94 GLU H H 9.142 0.016 1 205 94 94 GLU CA C 61.337 0.094 1 206 94 94 GLU N N 120.512 0.006 1 207 95 95 GLU H H 7.854 0.004 1 208 95 95 GLU CA C 59.096 0.036 1 209 95 95 GLU N N 120.015 0.009 1 210 96 96 ARG H H 7.696 0.014 1 211 96 96 ARG CA C 60.747 0.055 1 212 96 96 ARG N N 120.218 0.015 1 213 97 97 GLU H H 8.042 0.004 1 214 97 97 GLU CA C 58.697 0.014 1 215 97 97 GLU N N 118.959 0.068 1 216 98 98 GLU H H 7.809 0.003 1 217 98 98 GLU CA C 59.646 0.023 1 218 98 98 GLU N N 118.682 0.04 1 219 99 99 TRP H H 8.098 0.001 1 220 99 99 TRP HE1 H 11.080 . 1 221 99 99 TRP CA C 61.795 0.084 1 222 99 99 TRP N N 119.920 0.032 1 223 99 99 TRP NE1 N 131.074 . 1 224 100 100 ALA H H 8.622 0.012 1 225 100 100 ALA CA C 54.999 0.035 1 226 100 100 ALA N N 120.161 0.062 1 227 101 101 THR H H 8.346 0.002 1 228 101 101 THR CA C 65.987 0.031 1 229 101 101 THR N N 114.011 0.135 1 230 102 102 ALA H H 7.642 0.01 1 231 102 102 ALA CA C 55.708 0.057 1 232 102 102 ALA N N 125.899 0.023 1 233 103 103 ILE H H 8.427 0.004 1 234 103 103 ILE CA C 66.104 0.052 1 235 103 103 ILE N N 116.609 0.052 1 236 104 104 GLN H H 8.076 0.003 1 237 104 104 GLN CA C 58.654 0.096 1 238 104 104 GLN N N 117.695 0.038 1 239 105 105 THR H H 8.206 0.014 1 240 105 105 THR CA C 66.812 . 1 241 105 105 THR N N 114.571 0.017 1 242 106 106 VAL CA C 66.084 . 1 243 107 107 ALA H H 8.700 0.021 1 244 107 107 ALA CA C 56.331 0.004 1 245 107 107 ALA N N 122.582 0.006 1 246 108 108 ASP H H 8.582 0.002 1 247 108 108 ASP CA C 56.010 0.005 1 248 108 108 ASP N N 117.591 0.009 1 249 109 109 GLY H H 7.845 0.011 1 250 109 109 GLY CA C 46.379 0.032 1 251 109 109 GLY N N 107.350 0.11 1 252 110 110 LEU H H 7.449 0.011 1 253 110 110 LEU CA C 55.505 . 1 254 110 110 LEU N N 120.006 0.149 1 255 111 111 LYS H H 7.575 0.003 1 256 111 111 LYS N N 119.512 0.032 1 257 112 112 ARG H H 7.972 0.029 1 258 112 112 ARG CA C 56.048 0.004 1 259 112 112 ARG N N 121.072 0.026 1 260 113 113 GLN H H 7.861 0.002 1 261 113 113 GLN CA C 57.420 . 1 262 113 113 GLN N N 126.229 0.03 1 stop_ save_