data_25818 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the transmembrane domain of human nicastrin in DPC micelles ; _BMRB_accession_number 25818 _BMRB_flat_file_name bmr25818.str _Entry_type original _Submission_date 2015-09-17 _Accession_date 2015-09-17 _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 Li Yan . . 2 Liew Lynette . . 3 Li Qingxin . . 4 Kang CongBao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 192 "13C chemical shifts" 120 "15N chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25817 'transmembrane domain of human nicastrin in SDS micelles' stop_ _Original_release_date 2016-04-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the transmembrane domain of human nicastrin-a component of -secretase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26776682 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Liew Lynette . . 3 Li Qingxin . . 4 Kang CongBao . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19522 _Page_last 19522 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'transmembrane domain of human nicastrin in DPC micelles' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label transmembrane_domain_of_human_nicastrin $transmembrane_domain_of_human_nicastrin 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_transmembrane_domain_of_human_nicastrin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common transmembrane_domain_of_human_nicastrin _Molecular_mass 4960.896 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 54 _Mol_residue_sequence ; MAHHHHHHASKELELITLTV GFGILIFSLIVTYCINAKAD VLFIAPREPGAVSY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 MET 2 -6 ALA 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 HIS 8 0 HIS 9 1 ALA 10 2 SER 11 3 LYS 12 4 GLU 13 5 LEU 14 6 GLU 15 7 LEU 16 8 ILE 17 9 THR 18 10 LEU 19 11 THR 20 12 VAL 21 13 GLY 22 14 PHE 23 15 GLY 24 16 ILE 25 17 LEU 26 18 ILE 27 19 PHE 28 20 SER 29 21 LEU 30 22 ILE 31 23 VAL 32 24 THR 33 25 TYR 34 26 CYS 35 27 ILE 36 28 ASN 37 29 ALA 38 30 LYS 39 31 ALA 40 32 ASP 41 33 VAL 42 34 LEU 43 35 PHE 44 36 ILE 45 37 ALA 46 38 PRO 47 39 ARG 48 40 GLU 49 41 PRO 50 42 GLY 51 43 ALA 52 44 VAL 53 45 SER 54 46 TYR 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 $transmembrane_domain_of_human_nicastrin 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 $transmembrane_domain_of_human_nicastrin 'recombinant technology' . Escherichia coli . pET29b 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 $transmembrane_domain_of_human_nicastrin 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DPC 200 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . 'Keller and Wuthrich' . . 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'chemical shift assignment' processing 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(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' 20 . mM pH 6.5 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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' '3D HNCA' '3D HNCACB' '3D HNCO' '3D 1H-15N NOESY' 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 transmembrane_domain_of_human_nicastrin _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 9 ALA H H 8.384 0.020 1 2 1 9 ALA C C 177.401 0.300 1 3 1 9 ALA CA C 52.545 0.300 1 4 1 9 ALA CB C 19.447 0.300 1 5 1 9 ALA N N 124.807 0.300 1 6 2 10 SER H H 8.287 0.020 1 7 2 10 SER HA H 4.322 0.020 1 8 2 10 SER HB2 H 3.994 0.020 2 9 2 10 SER HB3 H 3.994 0.020 2 10 2 10 SER C C 175.102 0.300 1 11 2 10 SER CA C 58.862 0.300 1 12 2 10 SER CB C 63.783 0.300 1 13 2 10 SER N N 115.072 0.300 1 14 3 11 LYS H H 8.418 0.020 1 15 3 11 LYS HA H 4.223 0.020 1 16 3 11 LYS HB2 H 1.801 0.020 2 17 3 11 LYS HB3 H 1.801 0.020 2 18 3 11 LYS C C 177.259 0.300 1 19 3 11 LYS CA C 57.484 0.300 1 20 3 11 LYS CB C 32.230 0.300 1 21 3 11 LYS N N 122.944 0.300 1 22 4 12 GLU H H 8.583 0.020 1 23 4 12 GLU HA H 4.086 0.020 1 24 4 12 GLU HB2 H 1.989 0.020 2 25 4 12 GLU HB3 H 1.989 0.020 2 26 4 12 GLU C C 177.164 0.300 1 27 4 12 GLU CA C 58.874 0.300 1 28 4 12 GLU CB C 29.407 0.300 1 29 4 12 GLU N N 119.651 0.300 1 30 5 13 LEU H H 8.069 0.020 1 31 5 13 LEU HA H 4.169 0.020 1 32 5 13 LEU HB2 H 1.626 0.020 2 33 5 13 LEU HB3 H 1.695 0.020 2 34 5 13 LEU HD1 H 0.881 0.020 2 35 5 13 LEU HD2 H 0.881 0.020 2 36 5 13 LEU C C 178.517 0.300 1 37 5 13 LEU CA C 56.636 0.300 1 38 5 13 LEU CB C 41.930 0.300 1 39 5 13 LEU N N 119.754 0.300 1 40 6 14 GLU H H 8.367 0.020 1 41 6 14 GLU HA H 4.088 0.020 1 42 6 14 GLU C C 177.306 0.300 1 43 6 14 GLU CA C 59.008 0.300 1 44 6 14 GLU N N 121.615 0.300 1 45 7 15 LEU H H 8.215 0.020 1 46 7 15 LEU HB2 H 1.648 0.020 2 47 7 15 LEU HB3 H 1.825 0.020 2 48 7 15 LEU HD1 H 0.905 0.020 2 49 7 15 LEU HD2 H 0.905 0.020 2 50 7 15 LEU CA C 57.826 0.300 1 51 7 15 LEU N N 119.398 0.300 1 52 8 16 ILE H H 8.518 0.020 1 53 8 16 ILE CA C 65.302 0.300 1 54 8 16 ILE N N 120.843 0.300 1 55 9 17 THR H H 7.782 0.020 1 56 9 17 THR CA C 67.586 0.300 1 57 9 17 THR N N 115.829 0.300 1 58 10 18 LEU H H 8.086 0.020 1 59 10 18 LEU HA H 3.954 0.020 1 60 10 18 LEU HB2 H 1.608 0.020 2 61 10 18 LEU HB3 H 1.825 0.020 2 62 10 18 LEU C C 177.875 0.300 1 63 10 18 LEU CA C 58.484 0.300 1 64 10 18 LEU CB C 41.962 0.300 1 65 10 18 LEU N N 119.886 0.300 1 66 11 19 THR H H 8.033 0.020 1 67 11 19 THR HA H 4.220 0.020 1 68 11 19 THR HB H 3.805 0.020 1 69 11 19 THR HG2 H 1.161 0.020 1 70 11 19 THR CA C 67.939 0.300 1 71 11 19 THR N N 114.351 0.300 1 72 12 20 VAL H H 8.263 0.020 1 73 12 20 VAL HA H 3.568 0.020 1 74 12 20 VAL C C 177.733 0.300 1 75 12 20 VAL CA C 67.141 0.300 1 76 12 20 VAL N N 120.398 0.300 1 77 13 21 GLY H H 8.563 0.020 1 78 13 21 GLY HA2 H 3.575 0.020 2 79 13 21 GLY HA3 H 3.575 0.020 2 80 13 21 GLY C C 174.414 0.300 1 81 13 21 GLY CA C 47.836 0.300 1 82 13 21 GLY N N 106.524 0.300 1 83 14 22 PHE H H 8.678 0.020 1 84 14 22 PHE HA H 4.210 0.020 1 85 14 22 PHE HB2 H 3.198 0.020 2 86 14 22 PHE HB3 H 3.113 0.020 2 87 14 22 PHE C C 177.591 0.300 1 88 14 22 PHE CA C 61.702 0.300 1 89 14 22 PHE CB C 38.916 0.300 1 90 14 22 PHE N N 120.589 0.300 1 91 15 23 GLY H H 8.582 0.020 1 92 15 23 GLY HA2 H 3.540 0.020 2 93 15 23 GLY HA3 H 3.540 0.020 2 94 15 23 GLY C C 174.533 0.300 1 95 15 23 GLY CA C 47.707 0.300 1 96 15 23 GLY N N 106.691 0.300 1 97 16 24 ILE H H 8.599 0.020 1 98 16 24 ILE HA H 3.640 0.020 1 99 16 24 ILE HB H 2.002 0.020 1 100 16 24 ILE HG12 H 1.267 0.020 2 101 16 24 ILE HG13 H 1.267 0.020 2 102 16 24 ILE HG2 H 0.839 0.020 2 103 16 24 ILE HD1 H 0.742 0.020 2 104 16 24 ILE C C 178.658 0.300 1 105 16 24 ILE CA C 65.430 0.300 1 106 16 24 ILE CB C 37.188 0.300 1 107 16 24 ILE N N 120.894 0.300 1 108 17 25 LEU H H 8.206 0.020 1 109 17 25 LEU HA H 3.960 0.020 1 110 17 25 LEU HB2 H 1.635 0.020 2 111 17 25 LEU HB3 H 1.858 0.020 2 112 17 25 LEU HD1 H 0.800 0.020 2 113 17 25 LEU HD2 H 0.800 0.020 2 114 17 25 LEU C C 178.207 0.300 1 115 17 25 LEU CA C 58.861 0.300 1 116 17 25 LEU CB C 41.613 0.300 1 117 17 25 LEU N N 123.149 0.300 1 118 18 26 ILE H H 8.455 0.020 1 119 18 26 ILE HA H 3.562 0.020 1 120 18 26 ILE HB H 1.830 0.020 1 121 18 26 ILE HG12 H 0.986 0.020 2 122 18 26 ILE HG13 H 1.279 0.020 2 123 18 26 ILE HG2 H 0.787 0.020 2 124 18 26 ILE HD1 H 0.734 0.020 2 125 18 26 ILE C C 177.738 0.300 1 126 18 26 ILE CA C 64.569 0.300 1 127 18 26 ILE CB C 36.512 0.300 1 128 18 26 ILE N N 117.975 0.300 1 129 19 27 PHE H H 8.609 0.020 1 130 19 27 PHE HA H 4.069 0.020 1 131 19 27 PHE HB2 H 3.107 0.020 2 132 19 27 PHE HB3 H 3.107 0.020 2 133 19 27 PHE C C 177.069 0.300 1 134 19 27 PHE CA C 61.951 0.300 1 135 19 27 PHE CB C 39.118 0.300 1 136 19 27 PHE N N 119.303 0.300 1 137 20 28 SER H H 8.571 0.020 1 138 20 28 SER HA H 4.010 0.020 1 139 20 28 SER HB2 H 3.663 0.020 2 140 20 28 SER HB3 H 3.663 0.020 2 141 20 28 SER C C 176.951 0.300 1 142 20 28 SER CA C 63.441 0.300 1 143 20 28 SER N N 114.834 0.300 1 144 21 29 LEU H H 8.193 0.020 1 145 21 29 LEU HA H 4.052 0.020 1 146 21 29 LEU HB2 H 1.991 0.020 2 147 21 29 LEU HB3 H 1.883 0.020 2 148 21 29 LEU HG H 1.445 0.020 1 149 21 29 LEU HD1 H 0.787 0.020 2 150 21 29 LEU HD2 H 0.787 0.020 2 151 21 29 LEU C C 178.041 0.300 1 152 21 29 LEU CA C 58.331 0.300 1 153 21 29 LEU CB C 41.771 0.300 1 154 21 29 LEU N N 124.956 0.300 1 155 22 30 ILE H H 8.131 0.020 1 156 22 30 ILE HA H 3.602 0.020 1 157 22 30 ILE HB H 1.930 0.020 1 158 22 30 ILE HG2 H 0.740 0.020 2 159 22 30 ILE HD1 H 0.585 0.020 2 160 22 30 ILE C C 178.539 0.300 1 161 22 30 ILE CA C 65.963 0.300 1 162 22 30 ILE CB C 37.864 0.300 1 163 22 30 ILE N N 119.365 0.300 1 164 23 31 VAL H H 8.440 0.020 1 165 23 31 VAL HA H 3.342 0.020 1 166 23 31 VAL HB H 1.927 0.020 1 167 23 31 VAL HG1 H 0.593 0.020 2 168 23 31 VAL HG2 H 0.789 0.020 2 169 23 31 VAL C C 177.330 0.300 1 170 23 31 VAL CA C 67.683 0.300 1 171 23 31 VAL CB C 31.371 0.300 1 172 23 31 VAL N N 119.397 0.300 1 173 24 32 THR H H 7.969 0.020 1 174 24 32 THR HA H 4.172 0.020 1 175 24 32 THR HB H 3.657 0.020 1 176 24 32 THR HG2 H 1.097 0.020 1 177 24 32 THR C C 176.382 0.300 1 178 24 32 THR CA C 68.010 0.300 1 179 24 32 THR N N 114.854 0.300 1 180 25 33 TYR H H 8.364 0.020 1 181 25 33 TYR HA H 4.010 0.020 1 182 25 33 TYR HB2 H 3.248 0.020 2 183 25 33 TYR HB3 H 3.027 0.020 2 184 25 33 TYR C C 177.425 0.300 1 185 25 33 TYR CA C 62.436 0.300 1 186 25 33 TYR CB C 38.766 0.300 1 187 25 33 TYR N N 121.421 0.300 1 188 26 34 CYS H H 8.323 0.020 1 189 26 34 CYS HA H 3.939 0.020 1 190 26 34 CYS HB2 H 3.087 0.020 2 191 26 34 CYS HB3 H 2.666 0.020 2 192 26 34 CYS C C 176.335 0.300 1 193 26 34 CYS CA C 64.243 0.300 1 194 26 34 CYS CB C 27.470 0.300 1 195 26 34 CYS N N 116.170 0.300 1 196 27 35 ILE H H 8.259 0.020 1 197 27 35 ILE HA H 3.796 0.020 1 198 27 35 ILE HB H 1.921 0.020 1 199 27 35 ILE HG12 H 1.148 0.020 2 200 27 35 ILE HG13 H 1.640 0.020 2 201 27 35 ILE HG2 H 0.877 0.020 2 202 27 35 ILE HD1 H 0.763 0.020 2 203 27 35 ILE C C 176.737 0.300 1 204 27 35 ILE CA C 64.107 0.300 1 205 27 35 ILE CB C 37.875 0.300 1 206 27 35 ILE N N 116.693 0.300 1 207 28 36 ASN H H 7.853 0.020 1 208 28 36 ASN HA H 4.429 0.020 1 209 28 36 ASN HB2 H 2.670 0.020 2 210 28 36 ASN HB3 H 2.572 0.020 2 211 28 36 ASN HD21 H 6.735 0.020 2 212 28 36 ASN HD22 H 7.571 0.020 2 213 28 36 ASN C C 175.766 0.300 1 214 28 36 ASN CA C 55.852 0.300 1 215 28 36 ASN CB C 39.764 0.300 1 216 28 36 ASN N N 117.531 0.300 1 217 28 36 ASN ND2 N 111.960 0.300 1 218 29 37 ALA H H 8.050 0.020 1 219 29 37 ALA HA H 4.118 0.020 1 220 29 37 ALA HB H 1.163 0.020 1 221 29 37 ALA C C 177.638 0.300 1 222 29 37 ALA CA C 53.303 0.300 1 223 29 37 ALA CB C 18.985 0.300 1 224 29 37 ALA N N 120.505 0.300 1 225 30 38 LYS H H 7.771 0.020 1 226 30 38 LYS HA H 4.327 0.020 1 227 30 38 LYS HB2 H 1.931 0.020 2 228 30 38 LYS HB3 H 1.774 0.020 2 229 30 38 LYS C C 176.192 0.300 1 230 30 38 LYS CA C 55.493 0.300 1 231 30 38 LYS CB C 31.831 0.300 1 232 30 38 LYS N N 116.476 0.300 1 233 31 39 ALA H H 7.924 0.020 1 234 31 39 ALA HA H 4.129 0.020 1 235 31 39 ALA HB H 1.426 0.020 1 236 31 39 ALA C C 177.401 0.300 1 237 31 39 ALA CA C 53.738 0.300 1 238 31 39 ALA CB C 19.262 0.300 1 239 31 39 ALA N N 122.457 0.300 1 240 32 40 ASP H H 8.401 0.020 1 241 32 40 ASP HA H 4.425 0.020 1 242 32 40 ASP HB2 H 2.665 0.020 2 243 32 40 ASP HB3 H 2.596 0.020 2 244 32 40 ASP C C 176.690 0.300 1 245 32 40 ASP CA C 55.303 0.300 1 246 32 40 ASP CB C 40.220 0.300 1 247 32 40 ASP N N 116.883 0.300 1 248 33 41 VAL H H 7.665 0.020 1 249 33 41 VAL HA H 4.082 0.020 1 250 33 41 VAL HB H 2.142 0.020 1 251 33 41 VAL HG1 H 0.906 0.020 2 252 33 41 VAL HG2 H 0.906 0.020 2 253 33 41 VAL C C 175.552 0.300 1 254 33 41 VAL CA C 62.761 0.300 1 255 33 41 VAL CB C 32.406 0.300 1 256 33 41 VAL N N 116.175 0.300 1 257 34 42 LEU H H 7.795 0.020 1 258 34 42 LEU HA H 4.140 0.020 1 259 34 42 LEU HB2 H 1.222 0.020 2 260 34 42 LEU HB3 H 1.463 0.020 2 261 34 42 LEU HD1 H 0.778 0.020 2 262 34 42 LEU HD2 H 0.893 0.020 2 263 34 42 LEU C C 176.382 0.300 1 264 34 42 LEU CA C 55.664 0.300 1 265 34 42 LEU CB C 42.486 0.300 1 266 34 42 LEU N N 120.012 0.300 1 267 35 43 PHE H H 7.793 0.020 1 268 35 43 PHE HA H 4.595 0.020 1 269 35 43 PHE HB2 H 3.158 0.020 2 270 35 43 PHE HB3 H 3.030 0.020 2 271 35 43 PHE HD1 H 7.253 0.020 3 272 35 43 PHE HD2 H 7.253 0.020 3 273 35 43 PHE C C 174.960 0.300 1 274 35 43 PHE CA C 57.734 0.300 1 275 35 43 PHE CB C 39.289 0.300 1 276 35 43 PHE N N 116.572 0.300 1 277 36 44 ILE H H 7.686 0.020 1 278 36 44 ILE HA H 4.108 0.020 1 279 36 44 ILE HB H 1.806 0.020 1 280 36 44 ILE HG12 H 1.388 0.020 2 281 36 44 ILE HG13 H 1.094 0.020 2 282 36 44 ILE HD1 H 0.827 0.020 2 283 36 44 ILE C C 174.975 0.300 1 284 36 44 ILE CA C 60.863 0.300 1 285 36 44 ILE CB C 39.010 0.300 1 286 36 44 ILE N N 119.136 0.300 1 287 37 45 ALA H H 8.169 0.020 1 288 37 45 ALA HA H 4.513 0.020 1 289 37 45 ALA HB H 1.315 0.020 1 290 37 45 ALA CA C 50.437 0.300 1 291 37 45 ALA CB C 18.317 0.300 1 292 37 45 ALA N N 127.555 0.300 1 293 38 46 PRO HA H 4.385 0.020 1 294 38 46 PRO HB2 H 2.242 0.020 2 295 38 46 PRO HB3 H 1.841 0.020 2 296 38 46 PRO C C 176.643 0.300 1 297 38 46 PRO CA C 62.998 0.300 1 298 38 46 PRO CB C 31.849 0.300 1 299 39 47 ARG H H 8.311 0.020 1 300 39 47 ARG HA H 4.277 0.020 1 301 39 47 ARG HB2 H 1.709 0.020 2 302 39 47 ARG HB3 H 1.709 0.020 2 303 39 47 ARG HG2 H 1.627 0.020 2 304 39 47 ARG HG3 H 1.627 0.020 2 305 39 47 ARG C C 176.026 0.300 1 306 39 47 ARG CA C 55.808 0.300 1 307 39 47 ARG CB C 31.178 0.300 1 308 39 47 ARG N N 121.037 0.300 1 309 40 48 GLU H H 8.346 0.020 1 310 40 48 GLU HA H 4.284 0.020 1 311 40 48 GLU HB2 H 1.849 0.020 2 312 40 48 GLU HB3 H 1.849 0.020 2 313 40 48 GLU HG2 H 2.223 0.020 2 314 40 48 GLU HG3 H 2.010 0.020 2 315 40 48 GLU CA C 54.336 0.300 1 316 40 48 GLU CB C 29.606 0.300 1 317 40 48 GLU N N 122.834 0.300 1 318 41 49 PRO HA H 4.332 0.020 1 319 41 49 PRO HB2 H 2.252 0.020 2 320 41 49 PRO HB3 H 1.916 0.020 2 321 41 49 PRO C C 177.496 0.300 1 322 41 49 PRO CA C 63.793 0.300 1 323 41 49 PRO CB C 31.794 0.300 1 324 42 50 GLY H H 8.412 0.020 1 325 42 50 GLY HA2 H 3.896 0.020 2 326 42 50 GLY HA3 H 3.896 0.020 2 327 42 50 GLY C C 173.808 0.300 1 328 42 50 GLY CA C 45.233 0.300 1 329 42 50 GLY N N 108.890 0.300 1 330 43 51 ALA H H 7.929 0.020 1 331 43 51 ALA HA H 4.297 0.020 1 332 43 51 ALA HB H 1.339 0.020 1 333 43 51 ALA C C 177.567 0.300 1 334 43 51 ALA CA C 52.486 0.300 1 335 43 51 ALA CB C 19.425 0.300 1 336 43 51 ALA N N 123.534 0.300 1 337 44 52 VAL H H 7.985 0.020 1 338 44 52 VAL HA H 4.118 0.020 1 339 44 52 VAL HB H 1.971 0.020 1 340 44 52 VAL HG1 H 0.584 0.020 2 341 44 52 VAL HG2 H 0.824 0.020 2 342 44 52 VAL C C 175.647 0.300 1 343 44 52 VAL CA C 62.060 0.300 1 344 44 52 VAL CB C 32.901 0.300 1 345 44 52 VAL N N 118.351 0.300 1 346 45 53 SER H H 8.081 0.020 1 347 45 53 SER HA H 4.394 0.020 1 348 45 53 SER HB2 H 3.753 0.020 2 349 45 53 SER HB3 H 3.753 0.020 2 350 45 53 SER C C 172.840 0.300 1 351 45 53 SER CA C 57.993 0.300 1 352 45 53 SER CB C 64.261 0.300 1 353 45 53 SER N N 119.089 0.300 1 354 46 54 TYR H H 7.628 0.020 1 355 46 54 TYR CA C 59.319 0.300 1 356 46 54 TYR CB C 39.456 0.300 1 357 46 54 TYR N N 126.703 0.300 1 stop_ save_