data_7258 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural characterization and oligomerization of PB1-F2, a pro-apoptotic influenza A virus protein ; _BMRB_accession_number 7258 _BMRB_flat_file_name bmr7258.str _Entry_type original _Submission_date 2006-08-10 _Accession_date 2006-08-17 _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 Bruns K. . . 2 Studtrucker N. . . 3 Sharma A. . . 4 Fossen T. . . 5 Mitzner D. . . 6 Wray V. . . 7 Eissmann A. . . 8 Tessmer U. . . 9 Henklein P. . . 10 Schubert U. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 299 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-08 update author 'update the entry citation' 2006-10-31 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7289 'Protein PB1-F2 (1-40)' 7290 'Protein PB1-F2 (30-70)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization and oligomerization of PB1-F2, a pro-apoptotic influenza A virus protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17052982 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bruns K. . . 2 Studtrucker N. . . 3 Sharma A. . . 4 Fossen T. . . 5 Mitzner D. . . 6 Eissmann A. . . 7 Tessmer U. . . 8 Roder R. . . 9 Henklein P. . . 10 Wray V. . . 11 Schubert U. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 353 _Page_last 363 _Year 2006 _Details . loop_ _Keyword 'pro-apoptotic mitochondrial targeting protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_PB1-F2 _Saveframe_category molecular_system _Mol_system_name 'Protein PB1-F2 (50-87)' _Abbreviation_common PB1-F2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein PB1-F2 (50-87)' $PB1-F2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PB1-F2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Protein PB1-F2 (50-87)' _Abbreviation_common PB1-F2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; VMPKQIVYWKQWLSLRNPIL VFLKTRVLKRWRLFSKHE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 50 VAL 2 51 MET 3 52 PRO 4 53 LYS 5 54 GLN 6 55 ILE 7 56 VAL 8 57 TYR 9 58 TRP 10 59 LYS 11 60 GLN 12 61 TRP 13 62 LEU 14 63 SER 15 64 LEU 16 65 ARG 17 66 ASN 18 67 PRO 19 68 ILE 20 69 LEU 21 70 VAL 22 71 PHE 23 72 LEU 24 73 LYS 25 74 THR 26 75 ARG 27 76 VAL 28 77 LEU 29 78 LYS 30 79 ARG 31 80 TRP 32 81 ARG 33 82 LEU 34 83 PHE 35 84 SER 36 85 LYS 37 86 HIS 38 87 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 7290 PB(30-70) 55.26 41 100.00 100.00 4.46e-05 PDB 2HN8 "Structural Characterization And Oligomerization Of Pb1-F2, A Pro-Apoptotic Influenza A Virus Protein" 100.00 38 100.00 100.00 4.66e-17 GB ABD62790 "PB1-F2 protein [Influenza A virus (A/Melbourne/1935(H1N1))]" 100.00 90 97.37 97.37 2.08e-16 GB ABD62851 "PB1-F2 protein [Influenza A virus (A/Bellamy/1942(H1N1))]" 100.00 90 97.37 97.37 1.34e-16 GB ABO38063 "PB1-F2 protein [Influenza A virus (A/AA/Marton/1943(H1N1))]" 100.00 90 97.37 100.00 5.07e-17 GB ABO38360 "PB1-F2 protein [Influenza A virus (A/Henry/1936(H1N1))]" 100.00 90 100.00 100.00 1.79e-17 GB ABO38382 "PB1-F2 protein [Influenza A virus (A/Iowa/1943(H1N1))]" 100.00 90 97.37 100.00 5.07e-17 REF YP_418248 "PB1-F2 protein [Influenza A virus (A/Puerto Rico/8/34(H1N1))]" 100.00 87 100.00 100.00 1.73e-17 SP A4GCJ5 "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Henry/1936(H1N1))]" 100.00 90 100.00 100.00 1.79e-17 SP A4GCL7 "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Iowa/1943(H1N1))]" 100.00 90 97.37 100.00 5.07e-17 SP A4GCM8 "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Phila/1935(H1N1))]" 100.00 90 97.37 97.37 2.55e-16 SP P0C0U1 "RecName: Full=Protein PB1-F2 [Influenza A virus (A/Puerto Rico/8/1934(H1N1))]" 100.00 87 100.00 100.00 1.73e-17 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PB1-F2 'Influenza A virus' 11320 Viruses . 'Influenzavirus A' 'Influenza A virus' 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 $PB1-F2 'chemical synthesis' . . . . . 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 $PB1-F2 2 mM . H2O 50 % . TFE-d2 50 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task refinement 'structure solution' stop_ _Details ; A.T.Brunger, P.D.Adams, G.M.Clore, W.L.Delano, P.Gros, R.W.Grosse-Kunstleve, J.-S.Jiang, J.Kuszewski, M.Nilges, N.S.Pannu, R.J.Read, L.M.Rice, T.Simonson, G.L.Warren. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 3 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 TFE H 1 'methylene protons' ppm 3.95 internal direct . . . 1.0 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Protein PB1-F2 (50-87)' _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 50 1 VAL HA H 3.898 . 1 2 50 1 VAL HB H 2.213 . 1 3 50 1 VAL HG1 H 0.903 . 2 4 50 1 VAL HG2 H 1.052 . 2 5 51 2 MET H H 8.507 . 1 6 51 2 MET HA H 5.031 . 1 7 51 2 MET HB2 H 2.038 . 2 8 51 2 MET HB3 H 2.191 . 2 9 51 2 MET HG2 H 2.674 . 1 10 51 2 MET HG3 H 2.674 . 1 11 51 2 MET HE H 2.174 . 1 12 52 3 PRO HA H 4.407 . 1 13 52 3 PRO HB2 H 2.201 . 2 14 52 3 PRO HB3 H 2.425 . 2 15 52 3 PRO HG2 H 2.038 . 2 16 52 3 PRO HG3 H 2.093 . 2 17 52 3 PRO HD2 H 3.809 . 2 18 52 3 PRO HD3 H 4.004 . 2 19 53 4 LYS H H 8.205 . 1 20 53 4 LYS HA H 4.003 . 1 21 53 4 LYS HB2 H 1.826 . 2 22 53 4 LYS HB3 H 1.84 . 2 23 53 4 LYS HG2 H 1.472 . 2 24 53 4 LYS HG3 H 1.515 . 2 25 53 4 LYS HD2 H 1.741 . 1 26 53 4 LYS HD3 H 1.741 . 1 27 53 4 LYS HE2 H 3.001 . 1 28 53 4 LYS HE3 H 3.001 . 1 29 53 4 LYS HZ H 7.629 . 1 30 54 5 GLN H H 8.333 . 1 31 54 5 GLN HA H 4.084 . 1 32 54 5 GLN HB2 H 2.05 . 2 33 54 5 GLN HB3 H 2.231 . 2 34 54 5 GLN HG2 H 2.303 . 2 35 54 5 GLN HG3 H 2.43 . 2 36 54 5 GLN HE21 H 6.629 . 2 37 54 5 GLN HE22 H 7.143 . 2 38 55 6 ILE H H 7.375 . 1 39 55 6 ILE HA H 4.03 . 1 40 55 6 ILE HB H 2.119 . 1 41 55 6 ILE HG12 H 1.317 . 2 42 55 6 ILE HG13 H 1.652 . 2 43 55 6 ILE HG2 H 1.055 . 1 44 55 6 ILE HD1 H 0.925 . 1 45 56 7 VAL H H 7.65 . 1 46 56 7 VAL HA H 3.66 . 1 47 56 7 VAL HB H 2.143 . 1 48 56 7 VAL HG1 H 0.939 . 2 49 56 7 VAL HG2 H 1.046 . 2 50 57 8 TYR H H 7.994 . 1 51 57 8 TYR HA H 4.281 . 1 52 57 8 TYR HB2 H 3.079 . 1 53 57 8 TYR HB3 H 3.079 . 1 54 57 8 TYR HD1 H 6.88 . 1 55 57 8 TYR HD2 H 6.88 . 1 56 57 8 TYR HE1 H 6.557 . 1 57 57 8 TYR HE2 H 6.557 . 1 58 58 9 TRP H H 8.228 . 1 59 58 9 TRP HA H 4.642 . 1 60 58 9 TRP HB2 H 3.499 . 1 61 58 9 TRP HB3 H 3.499 . 1 62 58 9 TRP HD1 H 7.267 . 1 63 58 9 TRP HE1 H 9.614 . 1 64 58 9 TRP HE3 H 7.599 . 1 65 58 9 TRP HZ2 H 7.44 . 1 66 58 9 TRP HZ3 H 6.676 . 1 67 58 9 TRP HH2 H 7.102 . 1 68 59 10 LYS H H 8.614 . 1 69 59 10 LYS HA H 3.987 . 1 70 59 10 LYS HB2 H 1.945 . 2 71 59 10 LYS HB3 H 2.06 . 2 72 59 10 LYS HG2 H 1.491 . 1 73 59 10 LYS HG3 H 1.491 . 1 74 59 10 LYS HD2 H 1.715 . 1 75 59 10 LYS HD3 H 1.715 . 1 76 59 10 LYS HE2 H 3.003 . 1 77 59 10 LYS HE3 H 3.003 . 1 78 59 10 LYS HZ H 7.615 . 1 79 60 11 GLN H H 8.319 . 1 80 60 11 GLN HA H 4.045 . 1 81 60 11 GLN HB2 H 2.1 . 2 82 60 11 GLN HB3 H 2.125 . 2 83 60 11 GLN HG2 H 2.324 . 2 84 60 11 GLN HG3 H 2.522 . 2 85 60 11 GLN HE21 H 6.453 . 2 86 60 11 GLN HE22 H 6.816 . 2 87 61 12 TRP H H 8.538 . 1 88 61 12 TRP HA H 4.166 . 1 89 61 12 TRP HB2 H 3.113 . 2 90 61 12 TRP HB3 H 3.487 . 2 91 61 12 TRP HD1 H 7.014 . 1 92 61 12 TRP HE1 H 9.614 . 1 93 61 12 TRP HE3 H 7.471 . 1 94 61 12 TRP HZ2 H 7.459 . 1 95 61 12 TRP HZ3 H 7.085 . 1 96 61 12 TRP HH2 H 7.22 . 1 97 62 13 LEU H H 8.642 . 1 98 62 13 LEU HA H 3.897 . 1 99 62 13 LEU HB2 H 1.851 . 2 100 62 13 LEU HB3 H 1.862 . 2 101 62 13 LEU HG H 1.493 . 1 102 62 13 LEU HD1 H 0.837 . 2 103 62 13 LEU HD2 H 0.912 . 2 104 63 14 SER H H 7.877 . 1 105 63 14 SER HA H 4.26 . 1 106 63 14 SER HB2 H 3.962 . 1 107 63 14 SER HB3 H 4.072 . 1 108 64 15 LEU H H 7.532 . 1 109 64 15 LEU HA H 4.235 . 1 110 64 15 LEU HB2 H 1.699 . 2 111 64 15 LEU HB3 H 1.794 . 2 112 64 15 LEU HG H 1.507 . 1 113 64 15 LEU HD1 H 0.855 . 2 114 64 15 LEU HD2 H 0.94 . 2 115 65 16 ARG H H 7.498 . 1 116 65 16 ARG HA H 4.146 . 1 117 65 16 ARG HB2 H 1.558 . 2 118 65 16 ARG HB3 H 1.733 . 2 119 65 16 ARG HG2 H 1.41 . 1 120 65 16 ARG HG3 H 1.41 . 1 121 65 16 ARG HD2 H 2.709 . 2 122 65 16 ARG HD3 H 2.758 . 2 123 65 16 ARG HH11 H 6.798 . 1 124 65 16 ARG HH12 H 6.798 . 1 125 65 16 ARG HH21 H 6.798 . 1 126 65 16 ARG HH22 H 6.798 . 1 127 66 17 ASN H H 7.591 . 1 128 66 17 ASN HA H 4.859 . 1 129 66 17 ASN HB2 H 2.856 . 2 130 66 17 ASN HB3 H 2.95 . 2 131 66 17 ASN HD21 H 6.29 . 2 132 66 17 ASN HD22 H 7.489 . 2 133 67 18 PRO HA H 4.29 . 1 134 67 18 PRO HB2 H 2.069 . 2 135 67 18 PRO HB3 H 2.341 . 2 136 67 18 PRO HG2 H 1.946 . 1 137 67 18 PRO HG3 H 1.946 . 1 138 67 18 PRO HD2 H 3.815 . 2 139 67 18 PRO HD3 H 3.884 . 2 140 68 19 ILE H H 7.761 . 1 141 68 19 ILE HA H 3.914 . 1 142 68 19 ILE HB H 2.013 . 1 143 68 19 ILE HG12 H 1.294 . 2 144 68 19 ILE HG13 H 1.649 . 2 145 68 19 ILE HG2 H 0.987 . 1 146 68 19 ILE HD1 H 0.917 . 1 147 69 20 LEU H H 7.51 . 1 148 69 20 LEU HA H 4.17 . 1 149 69 20 LEU HB2 H 1.875 . 1 150 69 20 LEU HB3 H 1.875 . 1 151 69 20 LEU HG H 1.735 . 1 152 69 20 LEU HD1 H 0.943 . 2 153 69 20 LEU HD2 H 1.029 . 2 154 70 21 VAL H H 7.778 . 1 155 70 21 VAL HA H 3.628 . 1 156 70 21 VAL HB H 2.164 . 1 157 70 21 VAL HG1 H 0.953 . 2 158 70 21 VAL HG2 H 1.045 . 2 159 71 22 PHE H H 8.192 . 1 160 71 22 PHE HA H 4.274 . 1 161 71 22 PHE HB2 H 3.335 . 2 162 71 22 PHE HB3 H 3.417 . 2 163 71 22 PHE HD1 H 7.248 . 1 164 71 22 PHE HD2 H 7.248 . 1 165 71 22 PHE HE1 H 7.315 . 1 166 71 22 PHE HE2 H 7.315 . 1 167 71 22 PHE HZ H 7.3 . 1 168 72 23 LEU H H 8.731 . 1 169 72 23 LEU HA H 3.99 . 1 170 72 23 LEU HB2 H 2.015 . 1 171 72 23 LEU HB3 H 2.015 . 1 172 72 23 LEU HG H 1.622 . 1 173 72 23 LEU HD1 H 0.956 . 1 174 72 23 LEU HD2 H 0.956 . 1 175 73 24 LYS H H 8.546 . 1 176 73 24 LYS HA H 3.99 . 1 177 73 24 LYS HB2 H 1.932 . 2 178 73 24 LYS HB3 H 2.036 . 2 179 73 24 LYS HG2 H 1.465 . 1 180 73 24 LYS HG3 H 1.465 . 1 181 73 24 LYS HD2 H 1.691 . 1 182 73 24 LYS HD3 H 1.691 . 1 183 73 24 LYS HE2 H 2.931 . 1 184 73 24 LYS HE3 H 2.931 . 1 185 73 24 LYS HZ H 7.625 . 1 186 74 25 THR H H 8.17 . 1 187 74 25 THR HA H 4.045 . 1 188 74 25 THR HB H 4.328 . 1 189 74 25 THR HG2 H 1.365 . 1 190 75 26 ARG H H 7.83 . 1 191 75 26 ARG HA H 4.059 . 1 192 75 26 ARG HB2 H 1.886 . 1 193 75 26 ARG HB3 H 1.886 . 1 194 75 26 ARG HG2 H 1.553 . 2 195 75 26 ARG HG3 H 1.653 . 2 196 75 26 ARG HD2 H 2.978 . 1 197 75 26 ARG HD3 H 2.978 . 1 198 75 26 ARG HH11 H 6.991 . 1 199 75 26 ARG HH12 H 6.991 . 1 200 75 26 ARG HH21 H 6.991 . 1 201 75 26 ARG HH22 H 6.991 . 1 202 76 27 VAL H H 7.883 . 1 203 76 27 VAL HA H 3.698 . 1 204 76 27 VAL HB H 2.248 . 1 205 76 27 VAL HG1 H 0.907 . 2 206 76 27 VAL HG2 H 1.058 . 2 207 77 28 LEU H H 8.175 . 1 208 77 28 LEU HA H 4.236 . 1 209 77 28 LEU HB2 H 1.821 . 2 210 77 28 LEU HB3 H 1.908 . 2 211 77 28 LEU HG H 1.699 . 1 212 77 28 LEU HD1 H 0.908 . 2 213 77 28 LEU HD2 H 0.96 . 2 214 78 29 LYS H H 8.082 . 1 215 78 29 LYS HA H 4.037 . 1 216 78 29 LYS HB2 H 1.923 . 2 217 78 29 LYS HB3 H 1.962 . 2 218 78 29 LYS HG2 H 1.455 . 1 219 78 29 LYS HG3 H 1.455 . 1 220 78 29 LYS HD2 H 1.661 . 2 221 78 29 LYS HD3 H 1.714 . 2 222 78 29 LYS HE2 H 2.979 . 1 223 78 29 LYS HE3 H 2.979 . 1 224 79 30 ARG H H 7.907 . 1 225 79 30 ARG HA H 4.091 . 1 226 79 30 ARG HB2 H 2.002 . 2 227 79 30 ARG HB3 H 2.038 . 2 228 79 30 ARG HG2 H 1.64 . 2 229 79 30 ARG HG3 H 1.755 . 2 230 79 30 ARG HD2 H 3.148 . 2 231 79 30 ARG HD3 H 3.177 . 2 232 79 30 ARG HH11 H 7.148 . 1 233 79 30 ARG HH12 H 7.148 . 1 234 79 30 ARG HH21 H 7.148 . 1 235 79 30 ARG HH22 H 7.148 . 1 236 80 31 TRP H H 8.479 . 1 237 80 31 TRP HA H 4.504 . 1 238 80 31 TRP HB2 H 3.43 . 2 239 80 31 TRP HB3 H 3.523 . 2 240 80 31 TRP HD1 H 7.208 . 1 241 80 31 TRP HE1 H 9.705 . 1 242 80 31 TRP HE3 H 7.634 . 1 243 80 31 TRP HZ2 H 7.461 . 1 244 80 31 TRP HZ3 H 7.061 . 1 245 80 31 TRP HH2 H 7.194 . 1 246 81 32 ARG H H 8.49 . 1 247 81 32 ARG HA H 3.861 . 1 248 81 32 ARG HB2 H 1.967 . 2 249 81 32 ARG HB3 H 1.998 . 2 250 81 32 ARG HG2 H 1.709 . 2 251 81 32 ARG HG3 H 1.835 . 2 252 81 32 ARG HD2 H 3.188 . 1 253 81 32 ARG HD3 H 3.188 . 1 254 81 32 ARG HH11 H 7.228 . 1 255 81 32 ARG HH12 H 7.228 . 1 256 81 32 ARG HH21 H 7.228 . 1 257 81 32 ARG HH22 H 7.228 . 1 258 82 33 LEU H H 7.948 . 1 259 82 33 LEU HA H 4.143 . 1 260 82 33 LEU HB2 H 1.664 . 2 261 82 33 LEU HB3 H 1.746 . 2 262 82 33 LEU HG H 1.479 . 1 263 82 33 LEU HD1 H 0.849 . 2 264 82 33 LEU HD2 H 0.898 . 2 265 83 34 PHE H H 8.21 . 1 266 83 34 PHE HA H 4.493 . 1 267 83 34 PHE HB2 H 3.125 . 2 268 83 34 PHE HB3 H 3.219 . 1 269 83 34 PHE HD1 H 7.272 . 1 270 83 34 PHE HD2 H 7.272 . 1 271 83 34 PHE HE1 H 7.335 . 1 272 83 34 PHE HE2 H 7.335 . 1 273 83 34 PHE HZ H 7.3 . 1 274 84 35 SER H H 8.023 . 1 275 84 35 SER HA H 4.176 . 1 276 84 35 SER HB2 H 3.523 . 2 277 84 35 SER HB3 H 3.756 . 2 278 85 36 LYS H H 7.703 . 1 279 85 36 LYS HA H 4.272 . 1 280 85 36 LYS HB2 H 1.823 . 2 281 85 36 LYS HB3 H 1.882 . 2 282 85 36 LYS HG2 H 1.453 . 1 283 85 36 LYS HG3 H 1.453 . 1 284 85 36 LYS HD2 H 1.693 . 1 285 85 36 LYS HD3 H 1.693 . 1 286 85 36 LYS HE2 H 3.002 . 1 287 85 36 LYS HE3 H 3.002 . 1 288 86 37 HIS H H 8.129 . 1 289 86 37 HIS HA H 4.68 . 1 290 86 37 HIS HB2 H 3.181 . 2 291 86 37 HIS HB3 H 3.335 . 2 292 86 37 HIS HD2 H 7.301 . 1 293 86 37 HIS HE1 H 8.481 . 1 294 87 38 GLU H H 8.087 . 1 295 87 38 GLU HA H 4.399 . 1 296 87 38 GLU HB2 H 1.971 . 2 297 87 38 GLU HB3 H 2.201 . 2 298 87 38 GLU HG2 H 2.445 . 1 299 87 38 GLU HG3 H 2.445 . 1 stop_ save_