data_27565 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Transmembrane protein 106B (TEM106B) ; _BMRB_accession_number 27565 _BMRB_flat_file_name bmr27565.str _Entry_type original _Submission_date 2018-07-30 _Accession_date 2018-07-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical Shift assignment of transmembrane protein 106B (TEM106B)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim 'Liang Zhong' . . 2 Kang Jian . . 3 Song Jianxing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 303 "13C chemical shifts" 179 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-15 original BMRB . stop_ _Original_release_date 2018-07-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; TMEM106B, a risk factor for FTLD and aging, has an intrinsically disordered cytoplasmic domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30332472 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Jian . . 2 Lim 'Liang Zhong' . . 3 Song Jianxing . . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 13 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0205856 _Page_last e0205856 _Year 2018 _Details . loop_ _Keyword ALS TEM106B 'Transmembrane protein 106B' 'full length' 'lysosomal trafficking' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TMEM106B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TMEM106B $TMEM106B stop_ _System_molecular_weight 11440 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'monomeric state of TMEM106B' save_ ######################## # Monomeric polymers # ######################## save_TMEM106B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TMEM106B _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Frontotemporal dementia and amyotrophic lateral sclerosis' 'Lysosome and late endosome membrane protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; MGKSLSHLPLHSSKEDAYDG VTSENMRNGLVNSEVHNEDG RNGDVSQFPYVEFTGRDSVT CPTCQGTGRIPRGQENQLVA LIPYSDQRLRPRRLEHHHHH H ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 MET 2 3 GLY 3 4 LYS 4 5 SER 5 6 LEU 6 7 SER 7 8 HIS 8 9 LEU 9 10 PRO 10 11 LEU 11 12 HIS 12 13 SER 13 14 SER 14 15 LYS 15 16 GLU 16 17 ASP 17 18 ALA 18 19 TYR 19 20 ASP 20 21 GLY 21 22 VAL 22 23 THR 23 24 SER 24 25 GLU 25 26 ASN 26 27 MET 27 28 ARG 28 29 ASN 29 30 GLY 30 31 LEU 31 32 VAL 32 33 ASN 33 34 SER 34 35 GLU 35 36 VAL 36 37 HIS 37 38 ASN 38 39 GLU 39 40 ASP 40 41 GLY 41 42 ARG 42 43 ASN 43 44 GLY 44 45 ASP 45 46 VAL 46 47 SER 47 48 GLN 48 49 PHE 49 50 PRO 50 51 TYR 51 52 VAL 52 53 GLU 53 54 PHE 54 55 THR 55 56 GLY 56 57 ARG 57 58 ASP 58 59 SER 59 60 VAL 60 61 THR 61 62 CYS 62 63 PRO 63 64 THR 64 65 CYS 65 66 GLN 66 67 GLY 67 68 THR 68 69 GLY 69 70 ARG 70 71 ILE 71 72 PRO 72 73 ARG 73 74 GLY 74 75 GLN 75 76 GLU 76 77 ASN 77 78 GLN 78 79 LEU 79 80 VAL 80 81 ALA 81 82 LEU 82 83 ILE 83 84 PRO 84 85 TYR 85 86 SER 86 87 ASP 87 88 GLN 88 89 ARG 89 90 LEU 90 91 ARG 91 92 PRO 92 93 ARG 93 94 ARG 94 95 LEU 95 96 GLU 96 97 HIS 97 98 HIS 98 99 HIS 99 100 HIS 100 101 HIS 101 102 HIS 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 $TMEM106B 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 _Details $TMEM106B 'recombinant technology' . Escherichia coli BL21 pET32a "C' terminal (6X) His-tag" 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 D2O 5 % 'natural abundance' $TMEM106B 0.2 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 'Cornilescu, Delaglio and Bax' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing stop_ _Details 'Used for phase correction and processing of NMR data' save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' 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 $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . 'Not defined' pH 6.5 0.005 pH pressure 1 . atm temperature 295 0.05 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_ _Software_label $NMRPipe $TALOS stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCACB' '3D C(CO)NH' '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 TMEM106B _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 3 2 GLY H H 8.341 . . 2 3 2 GLY CA C 45.178 . . 3 3 2 GLY N N 109.135 . . 4 4 3 LYS H H 8.35 . . 5 4 3 LYS CA C 56.274 . . 6 4 3 LYS CB C 33.17 . . 7 4 3 LYS N N 121.414 . . 8 5 4 SER H H 8.382 . . 9 5 4 SER CA C 58.377 . . 10 5 4 SER CB C 63.835 . . 11 5 4 SER N N 117.495 . . 12 6 5 LEU H H 8.372 . . 13 6 5 LEU HA H 4.395 . . 14 6 5 LEU HB2 H 1.628 . . 15 6 5 LEU HB3 H 1.628 . . 16 6 5 LEU CA C 55.193 . . 17 6 5 LEU CB C 42.283 . . 18 6 5 LEU N N 124.599 . . 19 7 6 SER H H 8.204 . . 20 7 6 SER HA H 4.716 . . 21 7 6 SER HB2 H 3.832 . . 22 7 6 SER HB3 H 3.832 . . 23 7 6 SER CA C 58.547 . . 24 7 6 SER CB C 63.897 . . 25 7 6 SER N N 116.067 . . 26 8 7 HIS H H 8.3062 . . 27 8 7 HIS HA H 4.574 . . 28 8 7 HIS HB2 H 2.937 . . 29 8 7 HIS HB3 H 2.937 . . 30 8 7 HIS CA C 55.919 . . 31 8 7 HIS CB C 30.164 . . 32 8 7 HIS N N 120.804 . . 33 9 8 LEU H H 8.087 . . 34 9 8 LEU HA H 4.567 . . 35 9 8 LEU HB2 H 1.537 . . 36 9 8 LEU HB3 H 1.537 . . 37 9 8 LEU CA C 53.031 . . 38 9 8 LEU CB C 41.652 . . 39 9 8 LEU N N 124.591 . . 40 10 9 PRO HA H 4.383 . . 41 10 9 PRO CA C 62.994 . . 42 10 9 PRO CB C 31.863 . . 43 11 10 LEU H H 8.271 . . 44 11 10 LEU HA H 4.225 . . 45 11 10 LEU HB2 H 1.555 . . 46 11 10 LEU HB3 H 1.555 . . 47 11 10 LEU CA C 55.47 . . 48 11 10 LEU CB C 42.304 . . 49 11 10 LEU N N 122.203 . . 50 12 11 HIS H H 8.303 . . 51 12 11 HIS HA H 4.722 . . 52 12 11 HIS HB2 H 3.154 . . 53 12 11 HIS HB3 H 3.154 . . 54 12 11 HIS CA C 55.881 . . 55 12 11 HIS CB C 30.101 . . 56 12 11 HIS N N 119.289 . . 57 13 12 SER H H 8.267 . . 58 13 12 SER CA C 58.349 . . 59 13 12 SER CB C 64.095 . . 60 13 12 SER N N 117.216 . . 61 14 13 SER H H 8.462 . . 62 14 13 SER HA H 4.731 . . 63 14 13 SER CA C 58.599 . . 64 14 13 SER CB C 64.067 . . 65 14 13 SER N N 118.409 . . 66 15 14 LYS H H 8.349 . . 67 15 14 LYS HA H 4.300 . . 68 15 14 LYS HB2 H 1.861 . . 69 15 14 LYS HB3 H 1.861 . . 70 15 14 LYS CA C 56.832 . . 71 15 14 LYS CB C 32.926 . . 72 15 14 LYS N N 123.077 . . 73 16 15 GLU H H 8.376 . . 74 16 15 GLU HA H 4.222 . . 75 16 15 GLU HB2 H 2.047 . . 76 16 15 GLU HB3 H 2.047 . . 77 16 15 GLU CA C 57.051 . . 78 16 15 GLU CB C 30.054 . . 79 16 15 GLU N N 121.249 . . 80 17 16 ASP H H 8.188 . . 81 17 16 ASP HA H 4.508 . . 82 17 16 ASP HB2 H 2.603 . . 83 17 16 ASP HB3 H 2.603 . . 84 17 16 ASP CA C 54.466 . . 85 17 16 ASP CB C 41.23 . . 86 17 16 ASP N N 121.047 . . 87 18 17 ALA H H 8.026 . . 88 18 17 ALA HA H 4.246 . . 89 18 17 ALA HB H 1.26 . . 90 18 17 ALA CA C 52.552 . . 91 18 17 ALA CB C 19.284 . . 92 18 17 ALA N N 123.654 . . 93 19 18 TYR H H 8.135 . . 94 19 18 TYR HA H 4.529 . . 95 19 18 TYR HB2 H 3.043 . . 96 19 18 TYR HB3 H 3.043 . . 97 19 18 TYR CA C 58.009 . . 98 19 18 TYR CB C 38.654 . . 99 19 18 TYR N N 119.589 . . 100 20 19 ASP H H 8.186 . . 101 20 19 ASP HA H 4.735 . . 102 20 19 ASP HB2 H 2.626 . . 103 20 19 ASP HB3 H 2.626 . . 104 20 19 ASP CA C 54.434 . . 105 20 19 ASP CB C 41.253 . . 106 20 19 ASP N N 122.669 . . 107 21 20 GLY H H 7.756 . . 108 21 20 GLY HA2 H 3.887 . . 109 21 20 GLY HA3 H 3.887 . . 110 21 20 GLY CA C 45.624 . . 111 21 20 GLY N N 108.684 . . 112 22 21 VAL H H 7.979 . . 113 22 21 VAL HA H 4.161 . . 114 22 21 VAL HB H 2.096 . . 115 22 21 VAL CA C 62.921 . . 116 22 21 VAL CB C 32.591 . . 117 22 21 VAL N N 119.68 . . 118 23 22 THR H H 8.309 . . 119 23 22 THR HA H 4.739 . . 120 23 22 THR CA C 62.034 . . 121 23 22 THR CB C 69.965 . . 122 23 22 THR N N 117.812 . . 123 24 23 SER H H 8.308 . . 124 24 23 SER HA H 4.407 . . 125 24 23 SER HB2 H 4.271 . . 126 24 23 SER HB3 H 4.271 . . 127 24 23 SER CA C 58.958 . . 128 24 23 SER CB C 63.939 . . 129 24 23 SER N N 117.995 . . 130 25 24 GLU H H 8.478 . . 131 25 24 GLU HA H 4.198 . . 132 25 24 GLU HB2 H 2.037 . . 133 25 24 GLU HB3 H 2.037 . . 134 25 24 GLU CA C 57.57 . . 135 25 24 GLU CB C 29.899 . . 136 25 24 GLU N N 122.589 . . 137 26 25 ASN H H 8.307 . . 138 26 25 ASN HA H 4.639 . . 139 26 25 ASN HB2 H 2.772 . . 140 26 25 ASN HB3 H 2.772 . . 141 26 25 ASN CA C 53.872 . . 142 26 25 ASN CB C 38.596 . . 143 26 25 ASN N N 118.348 . . 144 27 26 MET H H 8.111 . . 145 27 26 MET HA H 4.297 . . 146 27 26 MET HB2 H 2.121 . . 147 27 26 MET HB3 H 2.121 . . 148 27 26 MET CA C 56.123 . . 149 27 26 MET CB C 32.589 . . 150 27 26 MET N N 120.151 . . 151 28 27 ARG H H 8.189 . . 152 28 27 ARG HA H 4.294 . . 153 28 27 ARG HB2 H 1.855 . . 154 28 27 ARG HB3 H 1.855 . . 155 28 27 ARG CA C 56.856 . . 156 28 27 ARG CB C 30.387 . . 157 28 27 ARG N N 121.266 . . 158 29 28 ASN H H 8.314 . . 159 29 28 ASN HA H 4.690 . . 160 29 28 ASN HB2 H 2.856 . . 161 29 28 ASN HB3 H 2.856 . . 162 29 28 ASN CA C 53.555 . . 163 29 28 ASN CB C 38.837 . . 164 29 28 ASN N N 118.996 . . 165 30 29 GLY H H 8.267 . . 166 30 29 GLY HA2 H 3.927 . . 167 30 29 GLY HA3 H 3.927 . . 168 30 29 GLY CA C 45.597 . . 169 30 29 GLY N N 108.817 . . 170 31 30 LEU H H 7.993 . . 171 31 30 LEU HA H 4.379 . . 172 31 30 LEU HB2 H 1.633 . . 173 31 30 LEU HB3 H 1.633 . . 174 31 30 LEU CA C 55.234 . . 175 31 30 LEU CB C 42.335 . . 176 31 30 LEU N N 121.452 . . 177 32 31 VAL H H 8.047 . . 178 32 31 VAL HA H 4.089 . . 179 32 31 VAL HB H 2.047 . . 180 32 31 VAL CA C 62.466 . . 181 32 31 VAL CB C 32.727 . . 182 32 31 VAL N N 120.501 . . 183 33 32 ASN H H 8.479 . . 184 33 32 ASN HA H 4.730 . . 185 33 32 ASN HB2 H 2.852 . . 186 33 32 ASN HB3 H 2.852 . . 187 33 32 ASN CA C 53.401 . . 188 33 32 ASN CB C 39.035 . . 189 33 32 ASN N N 122.753 . . 190 34 33 SER H H 8.276 . . 191 34 33 SER HA H 4.392 . . 192 34 33 SER HB2 H 3.906 . . 193 34 33 SER HB3 H 3.906 . . 194 34 33 SER CA C 58.682 . . 195 34 33 SER CB C 63.916 . . 196 34 33 SER N N 116.583 . . 197 35 34 GLU H H 8.378 . . 198 35 34 GLU HA H 4.289 . . 199 35 34 GLU HB2 H 1.996 . . 200 35 34 GLU HB3 H 1.996 . . 201 35 34 GLU CA C 56.648 . . 202 35 34 GLU CB C 30.159 . . 203 35 34 GLU N N 122.646 . . 204 36 35 VAL H H 7.989 . . 205 36 35 VAL HA H 4.018 . . 206 36 35 VAL HB H 1.976 . . 207 36 35 VAL CA C 62.502 . . 208 36 35 VAL CB C 32.693 . . 209 36 35 VAL N N 120.769 . . 210 37 36 HIS H H 8.501 . . 211 37 36 HIS HA H 4.731 . . 212 37 36 HIS HB2 H 3.222 . . 213 37 36 HIS HB3 H 3.222 . . 214 37 36 HIS CA C 55.444 . . 215 37 36 HIS CB C 29.819 . . 216 37 36 HIS N N 123.091 . . 217 38 37 ASN H H 8.45 . . 218 38 37 ASN HA H 4.616 . . 219 38 37 ASN HB2 H 2.717 . . 220 38 37 ASN HB3 H 2.717 . . 221 38 37 ASN CA C 53.305 . . 222 38 37 ASN CB C 39.135 . . 223 38 37 ASN N N 121.124 . . 224 39 38 GLU H H 8.657 . . 225 39 38 GLU HA H 4.276 . . 226 39 38 GLU HB2 H 2.059 . . 227 39 38 GLU HB3 H 2.059 . . 228 39 38 GLU CA C 57.159 . . 229 39 38 GLU CB C 29.898 . . 230 39 38 GLU N N 121.903 . . 231 40 39 ASP H H 8.301 . . 232 40 39 ASP HA H 4.734 . . 233 40 39 ASP HB2 H 2.693 . . 234 40 39 ASP HB3 H 2.693 . . 235 40 39 ASP CA C 54.648 . . 236 40 39 ASP CB C 41.114 . . 237 40 39 ASP N N 120.905 . . 238 41 40 GLY H H 8.34 . . 239 41 40 GLY HA2 H 3.922 . . 240 41 40 GLY HA3 H 3.922 . . 241 41 40 GLY CA C 45.829 . . 242 41 40 GLY N N 109.276 . . 243 42 41 ARG H H 8.106 . . 244 42 41 ARG HA H 4.302 . . 245 42 41 ARG HB2 H 1.844 . . 246 42 41 ARG HB3 H 1.844 . . 247 42 41 ARG CA C 56.37 . . 248 42 41 ARG CB C 30.556 . . 249 42 41 ARG N N 120.367 . . 250 43 42 ASN H H 8.46 . . 251 43 42 ASN HA H 4.723 . . 252 43 42 ASN HB2 H 2.85 . . 253 43 42 ASN HB3 H 2.85 . . 254 43 42 ASN CA C 53.371 . . 255 43 42 ASN CB C 39.001 . . 256 43 42 ASN N N 119.371 . . 257 44 43 GLY H H 8.309 . . 258 44 43 GLY HA2 H 3.926 . . 259 44 43 GLY HA3 H 3.926 . . 260 44 43 GLY CA C 45.409 . . 261 44 43 GLY N N 109.166 . . 262 45 44 ASP H H 8.193 . . 263 45 44 ASP HA H 4.641 . . 264 45 44 ASP HB2 H 2.72 . . 265 45 44 ASP HB3 H 2.72 . . 266 45 44 ASP CA C 54.413 . . 267 45 44 ASP CB C 41.256 . . 268 45 44 ASP N N 120.643 . . 269 46 45 VAL H H 8.085 . . 270 46 45 VAL HA H 4.118 . . 271 46 45 VAL HB H 2.14 . . 272 46 45 VAL CA C 62.418 . . 273 46 45 VAL CB C 32.401 . . 274 46 45 VAL N N 119.897 . . 275 47 46 SER H H 8.346 . . 276 47 46 SER HA H 4.348 . . 277 47 46 SER HB2 H 3.837 . . 278 47 46 SER HB3 H 3.837 . . 279 47 46 SER CA C 58.925 . . 280 47 46 SER CB C 63.834 . . 281 47 46 SER N N 118.838 . . 282 48 47 GLN H H 8.17 . . 283 48 47 GLN HA H 4.225 . . 284 48 47 GLN HB2 H 1.917 . . 285 48 47 GLN HB3 H 1.917 . . 286 48 47 GLN CA C 55.904 . . 287 48 47 GLN CB C 29.435 . . 288 48 47 GLN N N 121.552 . . 289 49 48 PHE H H 8.079 . . 290 49 48 PHE HA H 4.842 . . 291 49 48 PHE HB2 H 3.059 . . 292 49 48 PHE HB3 H 3.059 . . 293 49 48 PHE CA C 55.683 . . 294 49 48 PHE CB C 39.024 . . 295 49 48 PHE N N 121.299 . . 296 50 49 PRO HA H 4.402 . . 297 50 49 PRO CA C 63.281 . . 298 50 49 PRO CB C 31.635 . . 299 51 50 TYR H H 8.018 . . 300 51 50 TYR HA H 4.550 . . 301 51 50 TYR HB2 H 2.99 . . 302 51 50 TYR HB3 H 2.99 . . 303 51 50 TYR CA C 58.016 . . 304 51 50 TYR CB C 38.761 . . 305 51 50 TYR N N 120.363 . . 306 52 51 VAL H H 7.856 . . 307 52 51 VAL HA H 4.006 . . 308 52 51 VAL HB H 1.917 . . 309 52 51 VAL CA C 62.008 . . 310 52 51 VAL CB C 33.164 . . 311 52 51 VAL N N 122.935 . . 312 53 52 GLU H H 8.299 . . 313 53 52 GLU HA H 4.155 . . 314 53 52 GLU HB2 H 1.911 . . 315 53 52 GLU HB3 H 1.911 . . 316 53 52 GLU CA C 56.548 . . 317 53 52 GLU CB C 30.469 . . 318 53 52 GLU N N 124.443 . . 319 54 53 PHE H H 8.304 . . 320 54 53 PHE HA H 4.704 . . 321 54 53 PHE HB2 H 3.127 . . 322 54 53 PHE HB3 H 3.127 . . 323 54 53 PHE CA C 57.838 . . 324 54 53 PHE CB C 39.654 . . 325 54 53 PHE N N 121.947 . . 326 55 54 THR H H 8.157 . . 327 55 54 THR HA H 4.728 . . 328 55 54 THR HB H 4.437 . . 329 55 54 THR CA C 62.032 . . 330 55 54 THR CB C 69.955 . . 331 55 54 THR N N 115.723 . . 332 56 55 GLY H H 7.874 . . 333 56 55 GLY HA2 H 3.881 . . 334 56 55 GLY HA3 H 3.881 . . 335 56 55 GLY CA C 45.554 . . 336 56 55 GLY N N 110.614 . . 337 57 56 ARG H H 8.116 . . 338 57 56 ARG HA H 4.342 . . 339 57 56 ARG HB2 H 1.707 . . 340 57 56 ARG HB3 H 1.707 . . 341 57 56 ARG CA C 56.368 . . 342 57 56 ARG CB C 30.87 . . 343 57 56 ARG N N 120.534 . . 344 58 57 ASP H H 8.379 . . 345 58 57 ASP HA H 4.626 . . 346 58 57 ASP HB2 H 2.722 . . 347 58 57 ASP HB3 H 2.722 . . 348 58 57 ASP CA C 54.552 . . 349 58 57 ASP CB C 41.233 . . 350 58 57 ASP N N 120.768 . . 351 59 58 SER H H 8.159 . . 352 59 58 SER HA H 4.715 . . 353 59 58 SER HB2 H 4.429 . . 354 59 58 SER HB3 H 4.429 . . 355 59 58 SER CA C 58.723 . . 356 59 58 SER CB C 63.927 . . 357 59 58 SER N N 115.867 . . 358 60 59 VAL H H 8.108 . . 359 60 59 VAL HA H 4.194 . . 360 60 59 VAL HB H 2.125 . . 361 60 59 VAL CA C 62.732 . . 362 60 59 VAL CB C 32.609 . . 363 60 59 VAL N N 121.201 . . 364 61 60 THR H H 8.159 . . 365 61 60 THR HA H 4.325 . . 366 61 60 THR HB H 4.167 . . 367 61 60 THR CA C 62.034 . . 368 61 60 THR CB C 69.76 . . 369 61 60 THR N N 116.946 . . 370 62 61 CYS H H 8.286 . . 371 62 61 CYS HA H 4.789 . . 372 62 61 CYS HB2 H 2.907 . . 373 62 61 CYS HB3 H 2.907 . . 374 62 61 CYS CA C 56.545 . . 375 62 61 CYS CB C 27.578 . . 376 62 61 CYS N N 123.287 . . 377 63 62 PRO HA H 4.733 . . 378 63 62 PRO CA C 63.706 . . 379 63 62 PRO CB C 32.216 . . 380 64 63 THR H H 8.181 . . 381 64 63 THR HA H 4.485 . . 382 64 63 THR HB H 4.353 . . 383 64 63 THR CA C 62.067 . . 384 64 63 THR CB C 69.872 . . 385 64 63 THR N N 113.574 . . 386 65 64 CYS H H 8.297 . . 387 65 64 CYS HA H 4.723 . . 388 65 64 CYS CA C 58.734 . . 389 65 64 CYS CB C 28.004 . . 390 65 64 CYS N N 121.14 . . 391 66 65 GLN H H 8.462 . . 392 66 65 GLN HA H 4.369 . . 393 66 65 GLN CA C 56.208 . . 394 66 65 GLN CB C 29.324 . . 395 66 65 GLN N N 122.901 . . 396 67 66 GLY H H 8.428 . . 397 67 66 GLY HA2 H 4.029 . . 398 67 66 GLY HA3 H 4.029 . . 399 67 66 GLY CA C 45.479 . . 400 67 66 GLY N N 110.156 . . 401 68 67 THR H H 8.118 . . 402 68 67 THR HA H 4.348 . . 403 68 67 THR CA C 62.061 . . 404 68 67 THR CB C 69.923 . . 405 68 67 THR N N 113.021 . . 406 69 68 GLY H H 8.461 . . 407 69 68 GLY HA2 H 3.949 . . 408 69 68 GLY HA3 H 3.949 . . 409 69 68 GLY CA C 45.369 . . 410 69 68 GLY N N 111.206 . . 411 70 69 ARG H H 8.107 . . 412 70 69 ARG HA H 4.335 . . 413 70 69 ARG CA C 56.057 . . 414 70 69 ARG CB C 30.893 . . 415 70 69 ARG N N 120.701 . . 416 71 70 ILE H H 8.193 . . 417 71 70 ILE HA H 4.401 . . 418 71 70 ILE HB H 1.833 . . 419 71 70 ILE CA C 58.712 . . 420 71 70 ILE CB C 38.707 . . 421 71 70 ILE N N 123.941 . . 422 72 71 PRO HA H 4.747 . . 423 72 71 PRO CA C 63.182 . . 424 72 71 PRO CB C 32.182 . . 425 73 72 ARG H H 8.405 . . 426 73 72 ARG HA H 4.304 . . 427 73 72 ARG HB2 H 1.848 . . 428 73 72 ARG HB3 H 1.848 . . 429 73 72 ARG CA C 56.445 . . 430 73 72 ARG CB C 30.842 . . 431 73 72 ARG N N 121.939 . . 432 74 73 GLY H H 8.592 . . 433 74 73 GLY HA2 H 3.967 . . 434 74 73 GLY HA3 H 3.967 . . 435 74 73 GLY CA C 45.383 . . 436 74 73 GLY N N 110.793 . . 437 75 74 GLN H H 8.264 . . 438 75 74 GLN HA H 4.326 . . 439 75 74 GLN HB2 H 2.169 . . 440 75 74 GLN HB3 H 2.169 . . 441 75 74 GLN CA C 56.032 . . 442 75 74 GLN CB C 29.331 . . 443 75 74 GLN N N 119.847 . . 444 76 75 GLU H H 8.667 . . 445 76 75 GLU HA H 4.184 . . 446 76 75 GLU HB2 H 1.945 . . 447 76 75 GLU HB3 H 1.945 . . 448 76 75 GLU CA C 57.461 . . 449 76 75 GLU CB C 29.7079 . . 450 76 75 GLU N N 121.601 . . 451 77 76 ASN H H 8.409 . . 452 77 76 ASN HA H 4.648 . . 453 77 76 ASN HB2 H 2.834 . . 454 77 76 ASN HB3 H 2.834 . . 455 77 76 ASN CA C 53.456 . . 456 77 76 ASN CB C 38.776 . . 457 77 76 ASN N N 118.818 . . 458 78 77 GLN H H 8.261 . . 459 78 77 GLN HA H 4.303 . . 460 78 77 GLN HB2 H 2.109 . . 461 78 77 GLN HB3 H 2.109 . . 462 78 77 GLN CA C 56.158 . . 463 78 77 GLN CB C 29.319 . . 464 78 77 GLN N N 120.411 . . 465 79 78 LEU H H 8.199 . . 466 79 78 LEU HA H 4.312 . . 467 79 78 LEU CA C 55.62 . . 468 79 78 LEU CB C 42.075 . . 469 79 78 LEU N N 122.911 . . 470 80 79 VAL H H 7.93 . . 471 80 79 VAL HA H 4.063 . . 472 80 79 VAL HB H 1.645 . . 473 80 79 VAL CA C 62.339 . . 474 80 79 VAL CB C 32.716 . . 475 80 79 VAL N N 120.55 . . 476 81 80 ALA H H 8.192 . . 477 81 80 ALA HA H 4.307 . . 478 81 80 ALA HB H 2.037 . . 479 81 80 ALA CA C 52.298 . . 480 81 80 ALA CB C 19.301 . . 481 81 80 ALA N N 127.138 . . 482 82 81 LEU H H 8.092 . . 483 82 81 LEU HA H 4.295 . . 484 82 81 LEU HB2 H 1.333 . . 485 82 81 LEU HB3 H 1.333 . . 486 82 81 LEU CA C 55.042 . . 487 82 81 LEU CB C 42.322 . . 488 82 81 LEU N N 121.543 . . 489 83 82 ILE H H 8.036 . . 490 83 82 ILE HA H 4.404 . . 491 83 82 ILE HB H 1.585 . . 492 83 82 ILE CA C 58.734 . . 493 83 82 ILE CB C 38.651 . . 494 83 82 ILE N N 123.434 . . 495 84 83 PRO HA H 4.354 . . 496 84 83 PRO HB2 H 1.813 . . 497 84 83 PRO HB3 H 1.813 . . 498 84 83 PRO CA C 63.235 . . 499 84 83 PRO CB C 31.981 . . 500 85 84 TYR H H 8.161 . . 501 85 84 TYR HA H 4.430 . . 502 85 84 TYR CA C 58.61 . . 503 85 84 TYR CB C 38.581 . . 504 85 84 TYR N N 120.476 . . 505 86 85 SER H H 8.064 . . 506 86 85 SER HA H 4.335 . . 507 86 85 SER HB2 H 3.012 . . 508 86 85 SER HB3 H 3.012 . . 509 86 85 SER CA C 58.512 . . 510 86 85 SER CB C 63.99 . . 511 86 85 SER N N 116.818 . . 512 87 86 ASP H H 8.202 . . 513 87 86 ASP HA H 4.534 . . 514 87 86 ASP HB2 H 3.854 . . 515 87 86 ASP HB3 H 3.854 . . 516 87 86 ASP CA C 54.529 . . 517 87 86 ASP CB C 41.188 . . 518 87 86 ASP N N 122.471 . . 519 88 87 GLN H H 8.301 . . 520 88 87 GLN HA H 4.547 . . 521 88 87 GLN HB2 H 2.631 . . 522 88 87 GLN HB3 H 2.631 . . 523 88 87 GLN CA C 56.711 . . 524 88 87 GLN CB C 28.96 . . 525 88 87 GLN N N 121.266 . . 526 89 88 ARG H H 8.22 . . 527 89 88 ARG HA H 4.213 . . 528 89 88 ARG HB2 H 2.101 . . 529 89 88 ARG HB3 H 2.101 . . 530 89 88 ARG CA C 56.875 . . 531 89 88 ARG CB C 30.371 . . 532 89 88 ARG N N 120.312 . . 533 90 89 LEU H H 8.006 . . 534 90 89 LEU HA H 4.320 . . 535 90 89 LEU HB2 H 1.76 . . 536 90 89 LEU HB3 H 1.76 . . 537 90 89 LEU CA C 55.001 . . 538 90 89 LEU CB C 42.28 . . 539 90 89 LEU N N 121.221 . . 540 91 90 ARG H H 8.06 . . 541 91 90 ARG HA H 4.564 . . 542 91 90 ARG HB2 H 1.628 . . 543 91 90 ARG HB3 H 1.628 . . 544 91 90 ARG CA C 54.073 . . 545 91 90 ARG CB C 30.12 . . 546 91 90 ARG N N 122.35 . . 547 92 91 PRO HA H 4.380 . . 548 92 91 PRO HB2 H 1.703 . . 549 92 91 PRO HB3 H 1.703 . . 550 92 91 PRO CA C 63.152 . . 551 92 91 PRO CB C 32.103 . . 552 93 92 ARG H H 8.415 . . 553 93 92 ARG HA H 4.292 . . 554 93 92 ARG CA C 56.152 . . 555 93 92 ARG CB C 30.794 . . 556 93 92 ARG N N 121.725 . . 557 94 93 ARG H H 8.348 . . 558 94 93 ARG HB2 H 1.841 . . 559 94 93 ARG HB3 H 1.841 . . 560 94 93 ARG CA C 56.14 . . 561 94 93 ARG CB C 30.852 . . 562 94 93 ARG N N 122.381 . . 563 95 94 LEU H H 8.306 . . 564 95 94 LEU CA C 55.041 . . 565 95 94 LEU CB C 42.297 . . 566 95 94 LEU N N 123.985 . . 567 96 95 GLU H H 8.35 . . 568 96 95 GLU CA C 56.385 . . 569 96 95 GLU CB C 30.442 . . 570 96 95 GLU N N 121.81 . . stop_ save_