data_19702 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the dimerization domain of the human polyoma, JC virus agnoprotein is an amphipathic alpha-helix. ; _BMRB_accession_number 19702 _BMRB_flat_file_name bmr19702.str _Entry_type original _Submission_date 2013-12-23 _Accession_date 2013-12-23 _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 Coric Pascale . . 2 Saribas Sami A. . 3 Abou-Gharbia Magid . . 4 Childers Wayne . . 5 White Martyn . . 6 Bouaziz Serge . . 7 Safak Mahmut . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 218 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-11 original author . stop_ _Original_release_date 2014-04-11 save_ ############################# # Citation for this entry # ############################# save_citation_2 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Nuclear magnetic resonance structure revealed that human polyoma JC virus agnoprotein contains an alpha-helix encompassing the Leu/Ile/Phe-rich domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24672035 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Coric Pascale . . 2 'Sami Saribas' A. . . 3 Abou-Gharbia Magid . . 4 Childers Wayne . . 5 White Martyn K. . 6 Bouaziz Serge . . 7 Safak Mahmut . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_name_full 'Journal of virology' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ save_citation_3 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Human polyomavirus JC small regulatory agnoprotein forms highly stable dimers and oligomers: implications for their roles in agnoprotein function.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21920573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saribas Sami A. . 2 Arachea T. B. . 3 White M. K. . 4 Viola E. R. . 5 Safak M. . . stop_ _Journal_abbreviation Virology _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Nuclear magnetic resonance structure revealed that human polyoma, JC virus agnoprotein contains an alpha-helix encompassing the Leu/Ile/Phe-rich domain' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Coric Pascale . . 2 Saribas Sami A. . 3 Abou-Gharbia Magid . . 4 Childers Wayne . . 5 White Martyn . . 6 Bouaziz Serge . . 7 Safak Mahmut . . stop_ _Journal_abbreviation 'J Virol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'dimerization domain of the human polyoma, JC virus agnoprotein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AGNO protein' $AGNO_protein 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_AGNO_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AGNO _Molecular_mass 4207.912 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; TWSGTKKRAQRILIFLLEFL LDFCTGEDSVDGKKRQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 THR 2 2 TRP 3 3 SER 4 4 GLY 5 5 THR 6 6 LYS 7 7 LYS 8 8 ARG 9 9 ALA 10 10 GLN 11 11 ARG 12 12 ILE 13 13 LEU 14 14 ILE 15 15 PHE 16 16 LEU 17 17 LEU 18 18 GLU 19 19 PHE 20 20 LEU 21 21 LEU 22 22 ASP 23 23 PHE 24 24 CYS 25 25 THR 26 26 GLY 27 27 GLU 28 28 ASP 29 29 SER 30 30 VAL 31 31 ASP 32 32 GLY 33 33 LYS 34 34 LYS 35 35 ARG 36 36 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MJ2 "Structure Of The Dimerization Domain Of The Human Polyoma, Jc Virus Agnoprotein Is An Amphipathic Alpha-helix" 100.00 36 100.00 100.00 4.24e-16 DBJ BAB11695 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 8.61e-17 DBJ BAB11701 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 7.90e-17 DBJ BAB11707 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 8.25e-17 DBJ BAB11713 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 9.38e-17 DBJ BAB11719 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 7.90e-17 EMBL CDJ79842 "Agnoprotein [JC polyomavirus type 3A]" 100.00 71 100.00 100.00 7.90e-17 GB AAA82098 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 8.25e-17 GB AAB41702 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 8.61e-17 GB AAB41708 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 7.90e-17 GB AAB41714 "agnoprotein [JC polyomavirus]" 100.00 71 100.00 100.00 7.90e-17 GB AAB62681 "agno [JC polyomavirus]" 100.00 71 100.00 100.00 9.09e-17 REF NP_043508 "hypothetical protein [JC polyomavirus]" 100.00 71 100.00 100.00 8.25e-17 SP P03086 "RecName: Full=Agnoprotein; AltName: Full=Agno [JC polyomavirus]" 100.00 71 100.00 100.00 8.25e-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 $AGNO_protein JCV 10632 Virus . Polyomavirus 'JC polyomavirus' 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 $AGNO_protein 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'NMR experiments were recorded on a sample at a concentration of 0.5 mM in water with 30% (v/v) TFE, pH 3.0, at 293K, 303K and 313K' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AGNO_protein 0.5 mM 'natural abundance' H2O 70 v/v 'natural abundance' TFE 30 v/v '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details 'Bruker Biospin' save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version 2.2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'Analysis and assignment to get NMR restraints' save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3.1 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'sample at a concentration of 0.5 mM in water with 30% (v/v) TFE (Trifluoroethanol, CF3CH2OH), pH 3.0, at 293K, 303K and 313K, on an Avance Bruker Spectrometer operating at 600.13 MHz and equipped with a cryoprobe.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 3.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'sample at a concentration of 0.5 mM in water with 30% (v/v) TFE (Trifluoroethanol, CF3CH2OH), pH 3.0, at 293K, 303K and 313K, on an Avance Bruker Spectrometer operating at 600.13 MHz and equipped with a cryoprobe.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 3.0 . pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details 'sample at a concentration of 0.5 mM in water with 30% (v/v) TFE (Trifluoroethanol, CF3CH2OH), pH 3.0, at 293K, 303K and 313K, on an Avance Bruker Spectrometer operating at 600.13 MHz and equipped with a cryoprobe.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 3.0 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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-1H NOESY' '2D 1H-1H TOCSY' '2D DQF-COSY' 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 'AGNO protein' _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 TRP H H 8.776 . 1 2 2 2 TRP HA H 4.825 . 1 3 2 2 TRP HB2 H 3.346 . 2 4 2 2 TRP HB3 H 3.346 . 2 5 2 2 TRP HD1 H 7.336 . 1 6 2 2 TRP HE1 H 10.045 . 1 7 2 2 TRP HE3 H 7.663 . 1 8 2 2 TRP HZ2 H 7.496 . 1 9 2 2 TRP HZ3 H 7.146 . 1 10 2 2 TRP HH2 H 7.231 . 1 11 3 3 SER H H 8.174 . 1 12 3 3 SER HA H 4.315 . 1 13 3 3 SER HB2 H 3.784 . 2 14 3 3 SER HB3 H 3.867 . 2 15 4 4 GLY H H 7.499 . 1 16 4 4 GLY HA2 H 3.678 . 2 17 4 4 GLY HA3 H 3.769 . 2 18 5 5 THR H H 7.823 . 1 19 5 5 THR HA H 4.143 . 1 20 5 5 THR HB H 4.264 . 1 21 5 5 THR HG2 H 1.288 . 1 22 6 6 LYS H H 8.040 . 1 23 6 6 LYS HA H 4.143 . 1 24 6 6 LYS HB2 H 1.799 . 2 25 6 6 LYS HB3 H 1.863 . 2 26 6 6 LYS HG2 H 1.478 . 2 27 6 6 LYS HG3 H 1.478 . 2 28 6 6 LYS HD2 H 1.648 . 2 29 6 6 LYS HD3 H 1.648 . 2 30 7 7 LYS H H 7.897 . 1 31 7 7 LYS HA H 4.179 . 1 32 7 7 LYS HB2 H 1.859 . 2 33 7 7 LYS HB3 H 1.859 . 2 34 7 7 LYS HG2 H 1.459 . 2 35 7 7 LYS HG3 H 1.703 . 2 36 8 8 ARG H H 7.884 . 1 37 8 8 ARG HA H 4.115 . 1 38 8 8 ARG HB2 H 1.795 . 2 39 8 8 ARG HB3 H 1.912 . 2 40 8 8 ARG HG2 H 1.644 . 2 41 8 8 ARG HG3 H 1.646 . 2 42 8 8 ARG HD2 H 3.206 . 2 43 8 8 ARG HD3 H 3.206 . 2 44 8 8 ARG HE H 7.153 . 1 45 9 9 ALA H H 8.031 . 1 46 9 9 ALA HA H 4.119 . 1 47 9 9 ALA HB H 1.477 . 1 48 10 10 GLN H H 8.040 . 1 49 10 10 GLN HA H 4.043 . 1 50 10 10 GLN HB2 H 2.176 . 2 51 10 10 GLN HB3 H 2.176 . 2 52 10 10 GLN HG2 H 2.374 . 2 53 10 10 GLN HG3 H 2.483 . 2 54 10 10 GLN HE21 H 6.615 . 2 55 10 10 GLN HE22 H 6.955 . 2 56 11 11 ARG H H 7.768 . 1 57 11 11 ARG HA H 4.077 . 1 58 11 11 ARG HB2 H 1.983 . 2 59 11 11 ARG HB3 H 1.983 . 2 60 11 11 ARG HG2 H 1.720 . 2 61 11 11 ARG HG3 H 1.760 . 2 62 11 11 ARG HD2 H 3.200 . 2 63 11 11 ARG HD3 H 3.200 . 2 64 11 11 ARG HE H 7.189 . 1 65 12 12 ILE H H 7.777 . 1 66 12 12 ILE HA H 3.913 . 1 67 12 12 ILE HB H 2.003 . 1 68 12 12 ILE HG12 H 1.712 . 2 69 12 12 ILE HG13 H 1.197 . 2 70 12 12 ILE HG2 H 0.972 . 1 71 12 12 ILE HD1 H 0.863 . 1 72 13 13 LEU H H 7.894 . 1 73 13 13 LEU HA H 4.141 . 1 74 13 13 LEU HB2 H 1.765 . 2 75 13 13 LEU HB3 H 1.765 . 2 76 13 13 LEU HD1 H 0.929 . 2 77 13 13 LEU HD2 H 0.929 . 2 78 14 14 ILE H H 7.832 . 1 79 14 14 ILE HA H 3.798 . 1 80 14 14 ILE HB H 1.918 . 1 81 14 14 ILE HG12 H 1.716 . 2 82 14 14 ILE HG13 H 1.277 . 2 83 14 14 ILE HG2 H 0.905 . 1 84 14 14 ILE HD1 H 0.855 . 1 85 15 15 PHE H H 7.691 . 1 86 15 15 PHE HA H 4.359 . 1 87 15 15 PHE HB2 H 3.363 . 2 88 15 15 PHE HB3 H 3.247 . 2 89 15 15 PHE HE1 H 7.256 . 3 90 15 15 PHE HE2 H 7.256 . 3 91 16 16 LEU H H 8.434 . 1 92 16 16 LEU HA H 4.096 . 1 93 16 16 LEU HB2 H 1.928 . 2 94 16 16 LEU HB3 H 1.928 . 2 95 16 16 LEU HG H 1.735 . 1 96 16 16 LEU HD1 H 0.951 . 2 97 16 16 LEU HD2 H 0.912 . 2 98 17 17 LEU H H 8.494 . 1 99 17 17 LEU HA H 4.106 . 1 100 17 17 LEU HB2 H 1.898 . 2 101 17 17 LEU HB3 H 1.884 . 2 102 17 17 LEU HG H 1.627 . 1 103 17 17 LEU HD1 H 0.926 . 2 104 17 17 LEU HD2 H 0.879 . 2 105 18 18 GLU H H 8.287 . 1 106 18 18 GLU HA H 3.942 . 1 107 18 18 GLU HB2 H 2.245 . 2 108 18 18 GLU HB3 H 2.064 . 2 109 18 18 GLU HG2 H 2.667 . 2 110 18 18 GLU HG3 H 2.394 . 2 111 19 19 PHE H H 8.245 . 1 112 19 19 PHE HA H 4.227 . 1 113 19 19 PHE HB2 H 2.974 . 2 114 19 19 PHE HB3 H 3.238 . 2 115 19 19 PHE HD1 H 7.152 . 3 116 19 19 PHE HD2 H 7.152 . 3 117 19 19 PHE HE1 H 7.254 . 3 118 19 19 PHE HE2 H 7.254 . 3 119 19 19 PHE HZ H 7.095 . 1 120 20 20 LEU H H 8.611 . 1 121 20 20 LEU HA H 4.037 . 1 122 20 20 LEU HB2 H 1.970 . 2 123 20 20 LEU HB3 H 1.970 . 2 124 20 20 LEU HG H 1.628 . 1 125 20 20 LEU HD1 H 0.866 . 2 126 20 20 LEU HD2 H 0.928 . 2 127 21 21 LEU H H 8.567 . 1 128 21 21 LEU HA H 4.114 . 1 129 21 21 LEU HB2 H 1.837 . 2 130 21 21 LEU HB3 H 1.837 . 2 131 21 21 LEU HG H 1.527 . 1 132 21 21 LEU HD1 H 0.931 . 2 133 21 21 LEU HD2 H 0.861 . 2 134 22 22 ASP H H 8.181 . 1 135 22 22 ASP HA H 4.442 . 1 136 22 22 ASP HB2 H 2.682 . 2 137 22 22 ASP HB3 H 2.933 . 2 138 23 23 PHE H H 8.327 . 1 139 23 23 PHE HA H 4.332 . 1 140 23 23 PHE HB2 H 3.108 . 2 141 23 23 PHE HB3 H 2.845 . 2 142 23 23 PHE HD1 H 7.166 . 3 143 23 23 PHE HD2 H 7.166 . 3 144 23 23 PHE HE1 H 7.255 . 3 145 23 23 PHE HE2 H 7.255 . 3 146 24 24 CYS H H 8.409 . 1 147 24 24 CYS HA H 4.295 . 1 148 24 24 CYS HB2 H 2.974 . 2 149 24 24 CYS HB3 H 3.064 . 2 150 25 25 THR H H 7.868 . 1 151 25 25 THR HA H 4.295 . 1 152 25 25 THR HB H 4.339 . 1 153 25 25 THR HG2 H 1.278 . 1 154 26 26 GLY H H 7.948 . 1 155 26 26 GLY HA2 H 3.952 . 2 156 26 26 GLY HA3 H 3.952 . 2 157 27 27 GLU H H 8.036 . 1 158 27 27 GLU HA H 4.244 . 1 159 27 27 GLU HB2 H 2.085 . 2 160 27 27 GLU HB3 H 1.967 . 2 161 27 27 GLU HG2 H 2.370 . 2 162 27 27 GLU HG3 H 2.371 . 2 163 28 28 ASP H H 8.201 . 1 164 28 28 ASP HA H 4.691 . 1 165 28 28 ASP HB2 H 2.895 . 2 166 28 28 ASP HB3 H 2.829 . 2 167 29 29 SER H H 7.989 . 1 168 29 29 SER HA H 4.477 . 1 169 29 29 SER HB2 H 3.966 . 2 170 29 29 SER HB3 H 3.882 . 2 171 30 30 VAL H H 7.950 . 1 172 30 30 VAL HA H 4.105 . 1 173 30 30 VAL HB H 2.170 . 1 174 30 30 VAL HG1 H 0.973 . 2 175 30 30 VAL HG2 H 0.973 . 2 176 31 31 ASP H H 8.182 . 1 177 31 31 ASP HA H 4.655 . 1 178 31 31 ASP HB2 H 2.847 . 2 179 31 31 ASP HB3 H 2.847 . 2 180 32 32 GLY H H 8.124 . 1 181 32 32 GLY HA2 H 3.950 . 2 182 32 32 GLY HA3 H 3.950 . 2 183 33 33 LYS H H 7.891 . 1 184 33 33 LYS HA H 4.347 . 1 185 33 33 LYS HB2 H 1.834 . 2 186 33 33 LYS HB3 H 1.834 . 2 187 33 33 LYS HG2 H 1.462 . 2 188 33 33 LYS HG3 H 1.462 . 2 189 33 33 LYS HD2 H 1.702 . 2 190 33 33 LYS HD3 H 1.702 . 2 191 33 33 LYS HE2 H 3.006 . 2 192 33 33 LYS HE3 H 3.006 . 2 193 34 34 LYS H H 8.049 . 1 194 34 34 LYS HA H 4.348 . 1 195 34 34 LYS HB2 H 1.758 . 2 196 34 34 LYS HB3 H 1.910 . 2 197 34 34 LYS HG2 H 1.493 . 2 198 34 34 LYS HG3 H 1.493 . 2 199 34 34 LYS HD2 H 1.646 . 2 200 34 34 LYS HD3 H 1.646 . 2 201 34 34 LYS HE2 H 3.204 . 2 202 34 34 LYS HE3 H 3.204 . 2 203 35 35 ARG H H 8.155 . 1 204 35 35 ARG HA H 4.365 . 1 205 35 35 ARG HB2 H 1.785 . 2 206 35 35 ARG HB3 H 1.901 . 2 207 35 35 ARG HG2 H 1.679 . 2 208 35 35 ARG HG3 H 1.679 . 2 209 35 35 ARG HD2 H 3.207 . 2 210 35 35 ARG HD3 H 3.207 . 2 211 36 36 GLN H H 7.918 . 1 212 36 36 GLN HA H 4.264 . 1 213 36 36 GLN HB2 H 2.146 . 2 214 36 36 GLN HB3 H 1.991 . 2 215 36 36 GLN HG2 H 2.330 . 2 216 36 36 GLN HG3 H 2.330 . 2 217 36 36 GLN HE21 H 6.648 . 2 218 36 36 GLN HE22 H 7.414 . 2 stop_ save_