data_25592 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution-state NMR structure of Vpu cytoplasmic domain ; _BMRB_accession_number 25592 _BMRB_flat_file_name bmr25592.str _Entry_type original _Submission_date 2015-05-01 _Accession_date 2015-05-01 _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 Zhang H. . . 2 Lin E. C. . 3 Tian Y. . . 4 Das B. B. . 5 Opella S. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 104 "13C chemical shifts" 142 "15N chemical shifts" 52 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-24 update BMRB 'update entry citation' 2015-09-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25591 'Vpu from HIV-1' stop_ _Original_release_date 2015-09-28 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural determination of virus protein U from HIV-1 by NMR in membrane environments ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26362058 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang H. . . 2 Lin E. C. . 3 Tian Y. . . 4 Das B. B. . 5 Opella S. J. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1848 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3007 _Page_last 3018 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Vpu cytoplasmic domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 Virus protein U' $HIV-1_Virus_protein_U 4-(TRIFLUOROMETHYL)ANILINE $entity_ANI 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_HIV-1_Virus_protein_U _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HIV-1_Virus_protein_U _Molecular_mass 6266.018 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 54 _Mol_residue_sequence ; EYRKILRQRKIDRLIDRLIE RAEDSGNESEGEISALVELG VELGHHAPWDVDDL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLU 2 2 TYR 3 3 ARG 4 4 LYS 5 5 ILE 6 6 LEU 7 7 ARG 8 8 GLN 9 9 ARG 10 10 LYS 11 11 ILE 12 12 ASP 13 13 ARG 14 14 LEU 15 15 ILE 16 16 ASP 17 17 ARG 18 18 LEU 19 19 ILE 20 20 GLU 21 21 ARG 22 22 ALA 23 23 GLU 24 24 ASP 25 25 SER 26 26 GLY 27 27 ASN 28 28 GLU 29 29 SER 30 30 GLU 31 31 GLY 32 32 GLU 33 33 ILE 34 34 SER 35 35 ALA 36 36 LEU 37 37 VAL 38 38 GLU 39 39 LEU 40 40 GLY 41 41 VAL 42 42 GLU 43 43 LEU 44 44 GLY 45 45 HIS 46 46 HIS 47 47 ALA 48 48 PRO 49 49 TRP 50 50 ASP 51 51 VAL 52 52 ASP 53 53 ASP 54 54 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ANI _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 4-(trifluoromethyl)aniline _BMRB_code ANI _PDB_code ANI _Molecular_mass 161.124 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? F1 F1 F . 0 . ? F2 F2 F . 0 . ? F3 F3 F . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N C1 ? ? SING N HN1 ? ? SING N HN2 ? ? DOUB C1 C2 ? ? SING C1 C6 ? ? SING C2 C3 ? ? SING C2 H2 ? ? DOUB C3 C4 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 C7 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 H6 ? ? SING C7 F1 ? ? SING C7 F2 ? ? SING C7 F3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HIV-1_Virus_protein_U 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 $HIV-1_Virus_protein_U 'recombinant technology' . Escherichia coli C41 pET31b+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '100mM DHPC; 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_Virus_protein_U 0.5 mM '[U-100% 15N]' DHPC 100 mM 'natural abundance' H20 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '100mM DHPC; 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_Virus_protein_U 0.5 mM '[U-100% 13C; U-100% 15N]' DHPC 100 mM 'natural abundance' H20 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_2D_15N/1N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_15N/1N_HSQC _Sample_label $sample_1 save_ save_2D_15N/1N_HSQCIPAP_3 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_15N/1N_HSQCIPAP _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_HCCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HCCCONH _Sample_label $sample_1 save_ save_3D_CCCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_CCCONH _Sample_label $sample_1 save_ save_3D_15N/13C'/13C_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N/13C'/13C _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCO _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCACB _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' 5 . mM pH 4.0 . pH pressure 1 . atm temperature 323 . 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 TSP C 13 'methyl carbon' ppm 0 external direct . . . 1 water H 1 protons ppm 4.7 internal direct . . . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_HCCCONH 3D_CCCONH 3D_HNCO 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 'HIV-1 Virus protein U' _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 GLU HA H 4.08 . . 2 1 1 GLU C C 172.86 . . 3 1 1 GLU CA C 55.29 . . 4 1 1 GLU CB C 29.59 . . 5 2 2 TYR H H 8.81 . . 6 2 2 TYR HA H 4.59 . . 7 2 2 TYR C C 175.74 . . 8 2 2 TYR CA C 58.56 . . 9 2 2 TYR CB C 38.46 . . 10 2 2 TYR N N 123.72 . . 11 3 3 ARG H H 8.26 . . 12 3 3 ARG HA H 4.13 . . 13 3 3 ARG C C 176.40 . . 14 3 3 ARG CA C 57.02 . . 15 3 3 ARG CB C 30.43 . . 16 3 3 ARG N N 122.48 . . 17 4 4 LYS H H 8.06 . . 18 4 4 LYS HA H 4.18 . . 19 4 4 LYS C C 177.14 . . 20 4 4 LYS CA C 57.28 . . 21 4 4 LYS CB C 32.64 . . 22 4 4 LYS N N 121.23 . . 23 5 5 ILE H H 7.85 . . 24 5 5 ILE HA H 4.08 . . 25 5 5 ILE C C 176.53 . . 26 5 5 ILE CA C 61.86 . . 27 5 5 ILE CB C 38.42 . . 28 5 5 ILE N N 120.66 . . 29 6 6 LEU H H 8.02 . . 30 6 6 LEU HA H 4.23 . . 31 6 6 LEU C C 177.70 . . 32 6 6 LEU CA C 55.95 . . 33 6 6 LEU CB C 42.01 . . 34 6 6 LEU N N 123.17 . . 35 7 7 ARG H H 8.03 . . 36 7 7 ARG HA H 4.24 . . 37 7 7 ARG C C 176.82 . . 38 7 7 ARG CA C 56.95 . . 39 7 7 ARG CB C 30.28 . . 40 7 7 ARG N N 120.10 . . 41 8 8 GLN H H 8.14 . . 42 8 8 GLN HA H 4.22 . . 43 8 8 GLN C C 176.72 . . 44 8 8 GLN CA C 56.64 . . 45 8 8 GLN CB C 29.04 . . 46 8 8 GLN N N 119.99 . . 47 9 9 ARG H H 8.32 . . 48 9 9 ARG HA H 4.27 . . 49 9 9 ARG C C 177.47 . . 50 9 9 ARG CA C 56.80 . . 51 9 9 ARG CB C 30.64 . . 52 9 9 ARG N N 120.75 . . 53 10 10 LYS H H 8.32 . . 54 10 10 LYS HA H 4.12 . . 55 10 10 LYS C C 177.60 . . 56 10 10 LYS CA C 58.74 . . 57 10 10 LYS CB C 32.15 . . 58 10 10 LYS N N 120.75 . . 59 11 11 ILE H H 8.10 . . 60 11 11 ILE HA H 3.98 . . 61 11 11 ILE C C 176.66 . . 62 11 11 ILE CA C 62.83 . . 63 11 11 ILE CB C 37.86 . . 64 11 11 ILE N N 118.62 . . 65 12 12 ASP H H 8.11 . . 66 12 12 ASP HA H 4.33 . . 67 12 12 ASP C C 177.28 . . 68 12 12 ASP CA C 56.43 . . 69 12 12 ASP CB C 38.99 . . 70 12 12 ASP N N 120.97 . . 71 13 13 ARG H H 7.90 . . 72 13 13 ARG HA H 4.15 . . 73 13 13 ARG C C 178.55 . . 74 13 13 ARG CA C 58.46 . . 75 13 13 ARG CB C 29.78 . . 76 13 13 ARG N N 118.58 . . 77 14 14 LEU H H 7.83 . . 78 14 14 LEU HA H 4.07 . . 79 14 14 LEU C C 178.70 . . 80 14 14 LEU CA C 58.38 . . 81 14 14 LEU N N 120.61 . . 82 15 15 ILE H H 8.19 . . 83 15 15 ILE HA H 3.65 . . 84 15 15 ILE C C 178.32 . . 85 15 15 ILE CA C 64.58 . . 86 15 15 ILE CB C 37.00 . . 87 15 15 ILE N N 118.02 . . 88 16 16 ASP H H 8.15 . . 89 16 16 ASP HA H 4.34 . . 90 16 16 ASP C C 177.90 . . 91 16 16 ASP CA C 56.79 . . 92 16 16 ASP CB C 38.45 . . 93 16 16 ASP N N 118.44 . . 94 17 17 ARG H H 7.83 . . 95 17 17 ARG HA H 4.11 . . 96 17 17 ARG C C 178.84 . . 97 17 17 ARG CA C 58.63 . . 98 17 17 ARG N N 118.25 . . 99 18 18 LEU H H 8.02 . . 100 18 18 LEU HA H 4.06 . . 101 18 18 LEU CA C 58.13 . . 102 18 18 LEU N N 119.92 . . 103 19 19 ILE H H 8.21 . . 104 19 19 ILE HA H 3.67 . . 105 19 19 ILE C C 177.74 . . 106 19 19 ILE CA C 64.69 . . 107 19 19 ILE CB C 37.64 . . 108 19 19 ILE N N 118.56 . . 109 20 20 GLU H H 8.07 . . 110 20 20 GLU HA H 4.02 . . 111 20 20 GLU C C 178.46 . . 112 20 20 GLU CA C 58.95 . . 113 20 20 GLU CB C 28.31 . . 114 20 20 GLU N N 118.85 . . 115 21 21 ARG H H 7.94 . . 116 21 21 ARG HA H 4.19 . . 117 21 21 ARG C C 178.45 . . 118 21 21 ARG CA C 57.82 . . 119 21 21 ARG CB C 29.70 . . 120 21 21 ARG N N 118.10 . . 121 22 22 ALA H H 8.05 . . 122 22 22 ALA HA H 4.16 . . 123 22 22 ALA C C 179.30 . . 124 22 22 ALA CB C 18.34 . . 125 22 22 ALA N N 122.14 . . 126 23 23 GLU H H 8.13 . . 127 23 23 GLU HA H 4.21 . . 128 23 23 GLU C C 177.22 . . 129 23 23 GLU CA C 57.20 . . 130 23 23 GLU CB C 28.36 . . 131 23 23 GLU N N 116.17 . . 132 24 24 ASP H H 8.02 . . 133 24 24 ASP HA H 4.75 . . 134 24 24 ASP C C 176.33 . . 135 24 24 ASP CA C 53.98 . . 136 24 24 ASP CB C 38.98 . . 137 24 24 ASP N N 118.27 . . 138 25 25 SER H H 7.93 . . 139 25 25 SER HA H 4.44 . . 140 25 25 SER C C 175.36 . . 141 25 25 SER CA C 59.11 . . 142 25 25 SER CB C 65.05 . . 143 25 25 SER N N 114.86 . . 144 26 26 GLY H H 8.20 . . 145 26 26 GLY HA2 H 4.00 . . 146 26 26 GLY CA C 45.45 . . 147 26 26 GLY N N 109.91 . . 148 27 27 ASN H H 8.17 . . 149 27 27 ASN HA H 4.75 . . 150 27 27 ASN C C 175.66 . . 151 27 27 ASN CA C 53.32 . . 152 27 27 ASN CB C 38.51 . . 153 27 27 ASN N N 118.40 . . 154 28 28 GLU H H 8.35 . . 155 28 28 GLU HA H 4.40 . . 156 28 28 GLU C C 176.60 . . 157 28 28 GLU CA C 56.57 . . 158 28 28 GLU CB C 28.43 . . 159 28 28 GLU N N 120.34 . . 160 29 29 SER H H 8.17 . . 161 29 29 SER HA H 4.46 . . 162 29 29 SER C C 175.51 . . 163 29 29 SER CA C 59.07 . . 164 29 29 SER CB C 63.97 . . 165 29 29 SER N N 115.78 . . 166 30 30 GLU H H 8.46 . . 167 30 30 GLU HA H 4.13 . . 168 30 30 GLU C C 178.14 . . 169 30 30 GLU CA C 58.38 . . 170 30 30 GLU CB C 28.02 . . 171 30 30 GLU N N 121.59 . . 172 31 31 GLY H H 8.49 . . 173 31 31 GLY HA2 H 3.94 . . 174 31 31 GLY C C 175.73 . . 175 31 31 GLY CA C 46.29 . . 176 31 31 GLY N N 108.37 . . 177 32 32 GLU H H 8.08 . . 178 32 32 GLU HA H 4.11 . . 179 32 32 GLU C C 177.64 . . 180 32 32 GLU CA C 58.56 . . 181 32 32 GLU CB C 28.39 . . 182 32 32 GLU N N 120.89 . . 183 33 33 ILE H H 8.08 . . 184 33 33 ILE HA H 3.77 . . 185 33 33 ILE C C 177.72 . . 186 33 33 ILE CA C 64.15 . . 187 33 33 ILE CB C 37.14 . . 188 33 33 ILE N N 118.12 . . 189 34 34 SER H H 8.21 . . 190 34 34 SER C C 176.24 . . 191 34 34 SER N N 115.20 . . 192 35 35 ALA H H 7.80 . . 193 35 35 ALA HA H 4.10 . . 194 35 35 ALA C C 179.42 . . 195 35 35 ALA CA C 55.24 . . 196 35 35 ALA CB C 17.91 . . 197 35 35 ALA N N 122.98 . . 198 36 36 LEU H H 7.85 . . 199 36 36 LEU HA H 4.00 . . 200 36 36 LEU CA C 58.20 . . 201 36 36 LEU N N 117.62 . . 202 37 37 VAL H H 8.17 . . 203 37 37 VAL CA C 66.55 . . 204 37 37 VAL CB C 31.11 . . 205 37 37 VAL N N 118.40 . . 206 38 38 GLU H H 8.17 . . 207 38 38 GLU HA H 4.00 . . 208 38 38 GLU C C 178.47 . . 209 38 38 GLU CA C 59.16 . . 210 38 38 GLU CB C 27.77 . . 211 38 38 GLU N N 118.40 . . 212 39 39 LEU H H 8.23 . . 213 39 39 LEU HA H 4.09 . . 214 39 39 LEU C C 178.70 . . 215 39 39 LEU CA C 57.87 . . 216 39 39 LEU CB C 41.58 . . 217 39 39 LEU N N 119.34 . . 218 40 40 GLY H H 8.35 . . 219 40 40 GLY HA2 H 3.69 . . 220 40 40 GLY C C 175.74 . . 221 40 40 GLY CA C 47.22 . . 222 40 40 GLY N N 105.82 . . 223 41 41 VAL H H 8.28 . . 224 41 41 VAL HA H 3.77 . . 225 41 41 VAL C C 178.65 . . 226 41 41 VAL CA C 65.81 . . 227 41 41 VAL CB C 31.52 . . 228 41 41 VAL N N 120.67 . . 229 42 42 GLU H H 8.14 . . 230 42 42 GLU HA H 4.19 . . 231 42 42 GLU C C 178.53 . . 232 42 42 GLU CA C 58.45 . . 233 42 42 GLU CB C 28.29 . . 234 42 42 GLU N N 119.22 . . 235 43 43 LEU H H 8.30 . . 236 43 43 LEU HA H 4.22 . . 237 43 43 LEU C C 178.50 . . 238 43 43 LEU CA C 56.50 . . 239 43 43 LEU CB C 41.68 . . 240 43 43 LEU N N 118.18 . . 241 44 44 GLY H H 7.95 . . 242 44 44 GLY HA2 H 3.88 . . 243 44 44 GLY C C 174.58 . . 244 44 44 GLY CA C 45.88 . . 245 44 44 GLY N N 105.71 . . 246 45 45 HIS H H 8.02 . . 247 45 45 HIS HA H 4.64 . . 248 45 45 HIS C C 174.35 . . 249 45 45 HIS CA C 55.38 . . 250 45 45 HIS CB C 28.41 . . 251 45 45 HIS N N 116.81 . . 252 46 46 HIS H H 8.11 . . 253 46 46 HIS HA H 4.64 . . 254 46 46 HIS C C 173.42 . . 255 46 46 HIS CA C 55.23 . . 256 46 46 HIS CB C 28.94 . . 257 46 46 HIS N N 117.32 . . 258 47 47 ALA H H 8.10 . . 259 47 47 ALA HA H 4.31 . . 260 47 47 ALA CA C 50.58 . . 261 47 47 ALA N N 124.49 . . 262 48 48 PRO HA H 4.34 . . 263 48 48 PRO CA C 63.52 . . 264 48 48 PRO CB C 31.17 . . 265 49 49 TRP H H 7.29 . . 266 49 49 TRP HA H 4.68 . . 267 49 49 TRP C C 175.67 . . 268 49 49 TRP CA C 56.53 . . 269 49 49 TRP CB C 29.01 . . 270 49 49 TRP N N 116.80 . . 271 50 50 ASP H H 8.00 . . 272 50 50 ASP HA H 4.75 . . 273 50 50 ASP C C 175.87 . . 274 50 50 ASP CA C 52.92 . . 275 50 50 ASP CB C 38.98 . . 276 50 50 ASP N N 120.09 . . 277 51 51 VAL H H 7.90 . . 278 51 51 VAL HA H 4.03 . . 279 51 51 VAL C C 175.95 . . 280 51 51 VAL CA C 62.81 . . 281 51 51 VAL CB C 32.22 . . 282 51 51 VAL N N 118.58 . . 283 52 52 ASP H H 8.22 . . 284 52 52 ASP HA H 4.64 . . 285 52 52 ASP C C 175.37 . . 286 52 52 ASP CA C 54.01 . . 287 52 52 ASP CB C 38.98 . . 288 52 52 ASP N N 119.82 . . 289 53 53 ASP H H 8.01 . . 290 53 53 ASP HA H 4.72 . . 291 53 53 ASP C C 174.74 . . 292 53 53 ASP CA C 53.25 . . 293 53 53 ASP CB C 38.95 . . 294 53 53 ASP N N 117.88 . . 295 54 54 LEU H H 7.62 . . 296 54 54 LEU HA H 4.24 . . 297 54 54 LEU CA C 55.65 . . 298 54 54 LEU N N 122.92 . . stop_ save_