data_18648 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; APPTM V44M ; _BMRB_accession_number 18648 _BMRB_flat_file_name bmr18648.str _Entry_type original _Submission_date 2012-08-07 _Accession_date 2012-08-07 _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 Chen Wen . . 2 Wang Chunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 180 "13C chemical shifts" 144 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2013-12-10 update author 'update entry citation' 2012-09-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18649 'Transmembrane domain of Amyloid precursor protein WT' stop_ save_ ############################# # Citation for this entry # ############################# save_apptm_V44M_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Familial Alzheimer's mutations within APPTM increase A42 production by enhancing accessibility of -cleavage site.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24390130 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Wen . . 2 Gamache Eric . . 3 Rosenman David J. . 4 Xie Jian . . 5 Lopez Maria M. . 6 Li Yue-Ming . . 7 Wang Chunyu . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3037 _Page_last 3037 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'APPTM V44M dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'V44M chain, 1' $apptm_V44M 'V44M chain, 2' $apptm_V44M 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_apptm_V44M _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'V44M monomer' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; GAMAKGAIIGLMVGGVVIAT MIVITLVMLKKK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 LYS 6 GLY 7 ALA 8 ILE 9 ILE 10 GLY 11 LEU 12 MET 13 VAL 14 GLY 15 GLY 16 VAL 17 VAL 18 ILE 19 ALA 20 THR 21 MET 22 ILE 23 VAL 24 ILE 25 THR 26 LEU 27 VAL 28 MET 29 LEU 30 LYS 31 LYS 32 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 2LZ4 "Solution Nmr Structure Of Transmembrane Domain Of Amyloid Precursor Protein V44m" 87.50 28 100.00 100.00 1.84e-06 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apptm_V44M Human 9606 Eukaryota Metazoa Homo sapiens 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 $apptm_V44M 'recombinant technology' . Escherichia coli . PetM41 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_V44M _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apptm_V44M . mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 0.5 mM 'natural abundance' 'sodium chloride' 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_V44M save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_V44M save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N_V44M save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N_V44M save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_V44M save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N_V44M save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N_V44M save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N_V44M save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N_V44M 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 . M pH 7.2 . pH pressure 1 . atm temperature 313 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $15N_V44M stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'V44M chain, 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 2 2 ALA HA H 4.325 0.007 . 2 2 2 ALA HB H 1.413 0.007 . 3 2 2 ALA C C 177.858 0.000 . 4 2 2 ALA CA C 52.854 0.099 . 5 2 2 ALA CB C 19.558 0.147 . 6 3 3 MET H H 8.573 0.005 . 7 3 3 MET HA H 4.350 0.004 . 8 3 3 MET HB2 H 2.044 0.008 . 9 3 3 MET HB3 H 2.044 0.008 . 10 3 3 MET HG2 H 2.621 0.011 . 11 3 3 MET HG3 H 2.562 0.005 . 12 3 3 MET HE H 2.063 0.005 . 13 3 3 MET C C 175.731 0.000 . 14 3 3 MET CA C 56.160 0.034 . 15 3 3 MET CB C 33.410 0.052 . 16 3 3 MET CG C 32.684 0.064 . 17 3 3 MET CE C 17.193 0.030 . 18 3 3 MET N N 121.518 0.074 . 19 4 4 ALA H H 8.369 0.003 . 20 4 4 ALA HA H 4.300 0.004 . 21 4 4 ALA HB H 1.507 0.012 . 22 4 4 ALA C C 178.080 0.000 . 23 4 4 ALA CA C 52.509 0.049 . 24 4 4 ALA CB C 19.277 0.073 . 25 4 4 ALA N N 127.177 0.071 . 26 5 5 LYS H H 8.428 0.002 . 27 5 5 LYS HA H 4.036 0.008 . 28 5 5 LYS HB2 H 1.931 0.003 . 29 5 5 LYS HB3 H 1.863 0.005 . 30 5 5 LYS HG2 H 1.530 0.006 . 31 5 5 LYS HG3 H 1.432 0.008 . 32 5 5 LYS HD2 H 1.749 0.005 . 33 5 5 LYS HD3 H 1.749 0.005 . 34 5 5 LYS HE2 H 2.945 0.012 . 35 5 5 LYS HE3 H 2.945 0.012 . 36 5 5 LYS C C 177.960 0.000 . 37 5 5 LYS CA C 59.005 0.026 . 38 5 5 LYS CB C 32.549 0.044 . 39 5 5 LYS CG C 25.336 0.086 . 40 5 5 LYS CD C 29.330 0.042 . 41 5 5 LYS CE C 42.097 0.007 . 42 5 5 LYS N N 122.917 0.078 . 43 6 6 GLY H H 8.819 0.005 . 44 6 6 GLY HA2 H 3.867 0.006 . 45 6 6 GLY HA3 H 3.734 0.005 . 46 6 6 GLY C C 174.900 0.000 . 47 6 6 GLY CA C 47.148 0.085 . 48 6 6 GLY N N 108.660 0.102 . 49 7 7 ALA H H 7.733 0.006 . 50 7 7 ALA HA H 4.119 0.003 . 51 7 7 ALA HB H 1.508 0.018 . 52 7 7 ALA C C 178.481 0.000 . 53 7 7 ALA CA C 54.836 0.104 . 54 7 7 ALA CB C 18.675 0.168 . 55 7 7 ALA N N 124.676 0.083 . 56 8 8 ILE H H 7.777 0.003 . 57 8 8 ILE HA H 3.750 0.006 . 58 8 8 ILE HB H 2.051 0.007 . 59 8 8 ILE HG12 H 1.730 0.007 . 60 8 8 ILE HG13 H 1.197 0.012 . 61 8 8 ILE HG2 H 0.962 0.007 . 62 8 8 ILE HD1 H 0.890 0.005 . 63 8 8 ILE C C 177.416 0.000 . 64 8 8 ILE CA C 64.672 0.132 . 65 8 8 ILE CB C 37.643 0.031 . 66 8 8 ILE CG1 C 29.269 0.072 . 67 8 8 ILE CG2 C 17.849 0.051 . 68 8 8 ILE CD1 C 13.086 0.063 . 69 8 8 ILE N N 119.322 0.054 . 70 9 9 ILE H H 8.096 0.005 . 71 9 9 ILE HA H 3.722 0.007 . 72 9 9 ILE HB H 1.979 0.007 . 73 9 9 ILE HG12 H 1.812 0.013 . 74 9 9 ILE HG13 H 1.149 0.006 . 75 9 9 ILE HG2 H 0.917 0.015 . 76 9 9 ILE HD1 H 0.869 0.005 . 77 9 9 ILE C C 177.743 0.000 . 78 9 9 ILE CA C 65.050 0.078 . 79 9 9 ILE CB C 37.338 0.041 . 80 9 9 ILE CG1 C 29.308 0.104 . 81 9 9 ILE CG2 C 17.682 0.031 . 82 9 9 ILE CD1 C 13.244 0.052 . 83 9 9 ILE N N 121.496 0.108 . 84 10 10 GLY H H 8.364 0.012 . 85 10 10 GLY HA2 H 3.639 0.010 . 86 10 10 GLY HA3 H 3.639 0.010 . 87 10 10 GLY C C 174.610 0.000 . 88 10 10 GLY CA C 47.841 0.035 . 89 10 10 GLY N N 109.020 0.088 . 90 11 11 LEU H H 8.232 0.006 . 91 11 11 LEU HA H 4.029 0.007 . 92 11 11 LEU HB2 H 1.955 0.008 . 93 11 11 LEU HB3 H 1.568 0.007 . 94 11 11 LEU HG H 1.867 0.004 . 95 11 11 LEU HD1 H 0.910 0.021 . 96 11 11 LEU HD2 H 0.880 0.005 . 97 11 11 LEU C C 178.342 0.000 . 98 11 11 LEU CA C 58.212 0.052 . 99 11 11 LEU CB C 42.143 0.062 . 100 11 11 LEU CG C 27.027 0.057 . 101 11 11 LEU CD1 C 25.163 0.118 . 102 11 11 LEU CD2 C 24.307 0.023 . 103 11 11 LEU N N 123.493 0.068 . 104 12 12 MET H H 8.154 0.004 . 105 12 12 MET HA H 4.047 0.007 . 106 12 12 MET HB2 H 2.347 0.007 . 107 12 12 MET HB3 H 2.045 0.010 . 108 12 12 MET HG2 H 2.782 0.005 . 109 12 12 MET HG3 H 2.396 0.012 . 110 12 12 MET HE H 1.944 0.006 . 111 12 12 MET C C 177.592 0.000 . 112 12 12 MET CA C 59.528 0.041 . 113 12 12 MET CB C 32.872 0.099 . 114 12 12 MET CG C 33.038 0.036 . 115 12 12 MET CE C 17.326 0.020 . 116 12 12 MET N N 119.828 0.080 . 117 13 13 VAL H H 8.553 0.009 . 118 13 13 VAL HA H 3.468 0.007 . 119 13 13 VAL HB H 2.164 0.009 . 120 13 13 VAL HG1 H 0.862 0.012 . 121 13 13 VAL HG2 H 1.034 0.009 . 122 13 13 VAL C C 177.862 0.000 . 123 13 13 VAL CA C 67.092 0.030 . 124 13 13 VAL CB C 31.446 0.022 . 125 13 13 VAL CG1 C 21.498 0.044 . 126 13 13 VAL CG2 C 23.269 0.089 . 127 13 13 VAL N N 120.275 0.108 . 128 14 14 GLY H H 8.684 0.005 . 129 14 14 GLY HA2 H 3.551 0.011 . 130 14 14 GLY HA3 H 3.551 0.011 . 131 14 14 GLY C C 174.834 0.000 . 132 14 14 GLY CA C 47.566 0.004 . 133 14 14 GLY N N 108.653 0.140 . 134 15 15 GLY H H 8.701 0.004 . 135 15 15 GLY HA2 H 3.639 0.008 . 136 15 15 GLY HA3 H 3.574 0.009 . 137 15 15 GLY C C 174.373 0.000 . 138 15 15 GLY CA C 47.517 0.019 . 139 15 15 GLY N N 110.762 0.114 . 140 16 16 VAL H H 8.168 0.005 . 141 16 16 VAL HA H 3.587 0.007 . 142 16 16 VAL HB H 2.267 0.006 . 143 16 16 VAL HG1 H 0.861 0.012 . 144 16 16 VAL HG2 H 1.042 0.013 . 145 16 16 VAL C C 178.906 0.000 . 146 16 16 VAL CA C 67.095 0.025 . 147 16 16 VAL CB C 31.311 0.034 . 148 16 16 VAL CG1 C 21.413 0.077 . 149 16 16 VAL CG2 C 23.386 0.036 . 150 16 16 VAL N N 123.367 0.070 . 151 17 17 VAL H H 8.485 0.005 . 152 17 17 VAL HA H 3.449 0.007 . 153 17 17 VAL HB H 2.288 0.005 . 154 17 17 VAL HG1 H 0.861 0.007 . 155 17 17 VAL HG2 H 0.992 0.011 . 156 17 17 VAL C C 177.371 0.000 . 157 17 17 VAL CA C 67.760 0.078 . 158 17 17 VAL CB C 31.180 0.040 . 159 17 17 VAL CG1 C 21.267 0.063 . 160 17 17 VAL CG2 C 23.105 0.123 . 161 17 17 VAL N N 125.188 0.091 . 162 18 18 ILE H H 8.442 0.005 . 163 18 18 ILE HA H 3.650 0.007 . 164 18 18 ILE HB H 1.936 0.009 . 165 18 18 ILE HG12 H 1.733 0.007 . 166 18 18 ILE HG13 H 1.105 0.008 . 167 18 18 ILE HG2 H 0.842 0.012 . 168 18 18 ILE HD1 H 0.738 0.006 . 169 18 18 ILE C C 177.511 0.000 . 170 18 18 ILE CA C 65.269 0.060 . 171 18 18 ILE CB C 37.245 0.096 . 172 18 18 ILE CG1 C 29.385 0.077 . 173 18 18 ILE CG2 C 17.200 0.138 . 174 18 18 ILE CD1 C 12.380 0.088 . 175 18 18 ILE N N 121.855 0.092 . 176 19 19 ALA H H 8.600 0.004 . 177 19 19 ALA HA H 3.878 0.008 . 178 19 19 ALA HB H 1.416 0.022 . 179 19 19 ALA C C 178.836 0.000 . 180 19 19 ALA CA C 55.888 0.086 . 181 19 19 ALA CB C 18.041 0.125 . 182 19 19 ALA N N 123.379 0.131 . 183 20 20 THR H H 8.197 0.005 . 184 20 20 THR HA H 3.643 0.008 . 185 20 20 THR HB H 4.278 0.010 . 186 20 20 THR HG2 H 1.107 0.018 . 187 20 20 THR C C 176.214 0.000 . 188 20 20 THR CA C 68.303 0.083 . 189 20 20 THR CB C 67.651 0.048 . 190 20 20 THR CG2 C 21.375 0.095 . 191 20 20 THR N N 116.547 0.095 . 192 21 21 MET H H 8.240 0.003 . 193 21 21 MET HA H 4.021 0.007 . 194 21 21 MET HB2 H 1.938 0.004 . 195 21 21 MET HB3 H 1.846 0.007 . 196 21 21 MET HG2 H 2.743 0.009 . 197 21 21 MET HG3 H 2.382 0.012 . 198 21 21 MET HE H 1.898 0.012 . 199 21 21 MET C C 179.233 0.000 . 200 21 21 MET CA C 59.377 0.024 . 201 21 21 MET CB C 32.970 0.030 . 202 21 21 MET CG C 32.843 0.038 . 203 21 21 MET CE C 16.922 0.203 . 204 21 21 MET N N 122.008 0.090 . 205 22 22 ILE H H 8.428 0.005 . 206 22 22 ILE HA H 3.554 0.009 . 207 22 22 ILE HB H 2.116 0.011 . 208 22 22 ILE HG12 H 1.951 0.010 . 209 22 22 ILE HG13 H 0.948 0.009 . 210 22 22 ILE HG2 H 0.842 0.007 . 211 22 22 ILE HD1 H 0.775 0.006 . 212 22 22 ILE C C 176.896 0.000 . 213 22 22 ILE CA C 66.202 0.081 . 214 22 22 ILE CB C 37.532 0.040 . 215 22 22 ILE CG1 C 29.377 0.083 . 216 22 22 ILE CG2 C 17.139 0.033 . 217 22 22 ILE CD1 C 13.712 0.050 . 218 22 22 ILE N N 124.153 0.082 . 219 23 23 VAL H H 8.298 0.005 . 220 23 23 VAL HA H 3.518 0.006 . 221 23 23 VAL HB H 2.276 0.010 . 222 23 23 VAL HG1 H 0.933 0.009 . 223 23 23 VAL HG2 H 1.084 0.008 . 224 23 23 VAL C C 177.486 0.000 . 225 23 23 VAL CA C 68.059 0.029 . 226 23 23 VAL CB C 31.394 0.045 . 227 23 23 VAL CG1 C 21.719 0.148 . 228 23 23 VAL CG2 C 23.414 0.071 . 229 23 23 VAL N N 121.952 0.085 . 230 24 24 ILE H H 8.577 0.005 . 231 24 24 ILE HA H 3.560 0.008 . 232 24 24 ILE HB H 1.907 0.011 . 233 24 24 ILE HG12 H 1.907 0.009 . 234 24 24 ILE HG13 H 1.095 0.006 . 235 24 24 ILE HG2 H 0.897 0.008 . 236 24 24 ILE HD1 H 0.823 0.008 . 237 24 24 ILE C C 177.389 0.000 . 238 24 24 ILE CA C 65.759 0.070 . 239 24 24 ILE CB C 37.828 0.063 . 240 24 24 ILE CG1 C 29.549 0.036 . 241 24 24 ILE CG2 C 17.640 0.161 . 242 24 24 ILE CD1 C 13.672 0.303 . 243 24 24 ILE N N 120.066 0.140 . 244 25 25 THR H H 7.929 0.004 . 245 25 25 THR HA H 3.679 0.007 . 246 25 25 THR HB H 4.308 0.005 . 247 25 25 THR HG2 H 1.136 0.010 . 248 25 25 THR C C 175.961 0.000 . 249 25 25 THR CA C 68.628 0.049 . 250 25 25 THR CB C 67.708 0.057 . 251 25 25 THR CG2 C 21.581 0.062 . 252 25 25 THR N N 119.141 0.085 . 253 26 26 LEU H H 8.281 0.005 . 254 26 26 LEU HA H 3.991 0.007 . 255 26 26 LEU HB2 H 2.018 0.006 . 256 26 26 LEU HB3 H 1.487 0.005 . 257 26 26 LEU HG H 1.954 0.003 . 258 26 26 LEU HD1 H 0.899 0.010 . 259 26 26 LEU HD2 H 0.860 0.008 . 260 26 26 LEU C C 179.013 0.000 . 261 26 26 LEU CA C 58.416 0.082 . 262 26 26 LEU CB C 41.888 0.020 . 263 26 26 LEU CG C 26.996 0.068 . 264 26 26 LEU CD1 C 25.491 0.269 . 265 26 26 LEU CD2 C 23.617 0.492 . 266 26 26 LEU N N 122.503 0.100 . 267 27 27 VAL H H 8.319 0.008 . 268 27 27 VAL HA H 3.614 0.008 . 269 27 27 VAL HB H 2.279 0.010 . 270 27 27 VAL HG1 H 0.945 0.007 . 271 27 27 VAL HG2 H 1.076 0.009 . 272 27 27 VAL C C 178.165 0.000 . 273 27 27 VAL CA C 66.620 0.063 . 274 27 27 VAL CB C 31.589 0.076 . 275 27 27 VAL CG1 C 21.705 0.072 . 276 27 27 VAL CG2 C 23.288 0.079 . 277 27 27 VAL N N 119.997 0.128 . 278 28 28 MET H H 8.308 0.007 . 279 28 28 MET HA H 4.259 0.005 . 280 28 28 MET HB2 H 2.325 0.007 . 281 28 28 MET HB3 H 2.076 0.015 . 282 28 28 MET HG2 H 2.693 0.008 . 283 28 28 MET HG3 H 2.693 0.008 . 284 28 28 MET HE H 2.094 0.007 . 285 28 28 MET C C 178.391 0.000 . 286 28 28 MET CA C 57.864 0.054 . 287 28 28 MET CB C 32.539 0.233 . 288 28 28 MET CG C 33.075 0.027 . 289 28 28 MET CE C 17.441 0.018 . 290 28 28 MET N N 119.568 0.075 . 291 29 29 LEU H H 8.170 0.011 . 292 29 29 LEU HA H 4.250 0.006 . 293 29 29 LEU HB2 H 1.923 0.008 . 294 29 29 LEU HB3 H 1.587 0.010 . 295 29 29 LEU HG H 1.956 0.010 . 296 29 29 LEU HD1 H 0.895 0.009 . 297 29 29 LEU HD2 H 0.899 0.008 . 298 29 29 LEU C C 178.060 0.000 . 299 29 29 LEU CA C 56.336 0.082 . 300 29 29 LEU CB C 42.570 0.048 . 301 29 29 LEU CG C 26.933 0.038 . 302 29 29 LEU CD1 C 25.955 0.051 . 303 29 29 LEU CD2 C 23.300 0.041 . 304 29 29 LEU N N 120.101 0.064 . 305 30 30 LYS H H 7.748 0.007 . 306 30 30 LYS HA H 4.301 0.007 . 307 30 30 LYS HB2 H 1.946 0.005 . 308 30 30 LYS HB3 H 1.904 0.006 . 309 30 30 LYS HG2 H 1.527 0.009 . 310 30 30 LYS HG3 H 1.527 0.009 . 311 30 30 LYS HD2 H 1.703 0.006 . 312 30 30 LYS HD3 H 1.703 0.006 . 313 30 30 LYS HE2 H 2.966 0.004 . 314 30 30 LYS HE3 H 2.906 0.005 . 315 30 30 LYS C C 176.593 0.000 . 316 30 30 LYS CA C 56.416 0.087 . 317 30 30 LYS CB C 32.627 0.013 . 318 30 30 LYS CG C 24.821 0.042 . 319 30 30 LYS CD C 28.886 0.031 . 320 30 30 LYS CE C 41.872 0.045 . 321 30 30 LYS N N 120.361 0.079 . 322 31 31 LYS H H 7.916 0.002 . 323 31 31 LYS HA H 4.300 0.008 . 324 31 31 LYS HB2 H 1.942 0.008 . 325 31 31 LYS HB3 H 1.841 0.009 . 326 31 31 LYS HG2 H 1.514 0.009 . 327 31 31 LYS HG3 H 1.514 0.009 . 328 31 31 LYS HD2 H 1.697 0.007 . 329 31 31 LYS HD3 H 1.697 0.007 . 330 31 31 LYS HE2 H 2.993 0.005 . 331 31 31 LYS HE3 H 2.964 0.004 . 332 31 31 LYS C C 175.419 0.000 . 333 31 31 LYS CA C 56.580 0.020 . 334 31 31 LYS CB C 32.844 0.023 . 335 31 31 LYS CG C 24.627 0.007 . 336 31 31 LYS CD C 29.123 0.003 . 337 31 31 LYS CE C 41.952 0.037 . 338 31 31 LYS N N 123.833 0.074 . 339 32 32 LYS H H 7.761 0.003 . 340 32 32 LYS HA H 4.125 0.003 . 341 32 32 LYS HB2 H 1.830 0.006 . 342 32 32 LYS HB3 H 1.747 0.004 . 343 32 32 LYS HG2 H 1.452 0.006 . 344 32 32 LYS HG3 H 1.452 0.006 . 345 32 32 LYS HD2 H 1.701 0.004 . 346 32 32 LYS HD3 H 1.701 0.004 . 347 32 32 LYS HE2 H 3.002 0.004 . 348 32 32 LYS HE3 H 3.002 0.004 . 349 32 32 LYS CA C 57.874 0.039 . 350 32 32 LYS CB C 33.737 0.024 . 351 32 32 LYS CG C 24.866 0.006 . 352 32 32 LYS CD C 28.994 0.020 . 353 32 32 LYS CE C 42.152 0.000 . 354 32 32 LYS N N 129.903 0.053 . stop_ save_