data_7435 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HVS ORF57 8-120 backbone assignment, in complex with REF2-I 54-155. ; _BMRB_accession_number 7435 _BMRB_flat_file_name bmr7435.str _Entry_type original _Submission_date 2010-01-29 _Accession_date 2010-01-29 _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 Tunnicliffe Richard B. . 2 Golovanov Alexander P. . 3 Wilson Stuart A. . 4 Hautbergue Guillaume M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 104 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-25 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16683 'REF 54-155 with ICP27 103-138' 16698 'REF 54-155 in free form' stop_ _Original_release_date 2011-01-25 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for the Recognition of Cellular mRNA Export Factor REF by Herpes Viral Proteins HSV-1 ICP27 and HVS ORF57.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21253573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tunnicliffe Richard B. . 2 Hautbergue Guillaume M. . 3 Kalra Priti . . 4 Jackson Brian R. . 5 Whitehouse Adrian . . 6 Wilson Stuart A. . 7 Golovanov Alexander P. . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_name_full 'PLoS pathogens' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1001244 _Page_last . _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HVS ORF57/REF2-I complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label REF_54-155 $REF_54-155 ORF57_8-120 $ORF57_8-120 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_REF_54-155 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common REF_54-155 _Molecular_mass 13596.237 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MASMTGGQQMGRDPDKWQHD LFDSGCGGGEGVETGAKLLV SNLDFGVSDADIQELFAEFG TLKKAAVDYDRSGRSLGTAD VHFERRADALKAMKQYKGVP LDGRPMDIQLVASQIDLEHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 40 MET 2 41 ALA 3 42 SER 4 43 MET 5 44 THR 6 45 GLY 7 46 GLY 8 47 GLN 9 48 GLN 10 49 MET 11 50 GLY 12 51 ARG 13 52 ASP 14 53 PRO 15 54 ASP 16 55 LYS 17 56 TRP 18 57 GLN 19 58 HIS 20 59 ASP 21 60 LEU 22 61 PHE 23 62 ASP 24 63 SER 25 64 GLY 26 65 CYS 27 66 GLY 28 67 GLY 29 68 GLY 30 69 GLU 31 70 GLY 32 71 VAL 33 72 GLU 34 73 THR 35 74 GLY 36 75 ALA 37 76 LYS 38 77 LEU 39 78 LEU 40 79 VAL 41 80 SER 42 81 ASN 43 82 LEU 44 83 ASP 45 84 PHE 46 85 GLY 47 86 VAL 48 87 SER 49 88 ASP 50 89 ALA 51 90 ASP 52 91 ILE 53 92 GLN 54 93 GLU 55 94 LEU 56 95 PHE 57 96 ALA 58 97 GLU 59 98 PHE 60 99 GLY 61 100 THR 62 101 LEU 63 102 LYS 64 103 LYS 65 104 ALA 66 105 ALA 67 106 VAL 68 107 ASP 69 108 TYR 70 109 ASP 71 110 ARG 72 111 SER 73 112 GLY 74 113 ARG 75 114 SER 76 115 LEU 77 116 GLY 78 117 THR 79 118 ALA 80 119 ASP 81 120 VAL 82 121 HIS 83 122 PHE 84 123 GLU 85 124 ARG 86 125 ARG 87 126 ALA 88 127 ASP 89 128 ALA 90 129 LEU 91 130 LYS 92 131 ALA 93 132 MET 94 133 LYS 95 134 GLN 96 135 TYR 97 136 LYS 98 137 GLY 99 138 VAL 100 139 PRO 101 140 LEU 102 141 ASP 103 142 GLY 104 143 ARG 105 144 PRO 106 145 MET 107 146 ASP 108 147 ILE 109 148 GLN 110 149 LEU 111 150 VAL 112 151 ALA 113 152 SER 114 153 GLN 115 154 ILE 116 155 ASP 117 156 LEU 118 157 GLU 119 158 HIS 120 159 HIS 121 160 HIS 122 161 HIS 123 162 HIS 124 163 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-30 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 16683 REF_54-155 100.00 124 100.00 100.00 1.82e-84 BMRB 16697 REF_54-155 100.00 124 100.00 100.00 1.82e-84 BMRB 17693 RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 100.00 124 100.00 100.00 1.82e-84 PDB 2KT5 "Rrm Domain Of Mrna Export Adaptor Ref2-I Bound To Hsv-1 Icp27 Peptide" 100.00 124 100.00 100.00 1.82e-84 PDB 2YKA "Rrm Domain Of Mrna Export Adaptor Ref2-i Bound To Hvs Orf57 Peptide" 99.19 124 100.00 100.00 1.24e-83 stop_ save_ save_ORF57_8-120 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ORF57_8-120 _Molecular_mass 4268.970 _Mol_thiol_state 'all free' _Details . _Residue_count 135 _Mol_residue_sequence ; MASMTGGQQMGRDPGISSDD DFDSSDSSSDEEESDTSPQI MKSDVTMASPPSTPEPSLDV SASTSNLKRERQRSPITWEH QSPLSRVYRSPSPMRFGKRP RISSNSTSRSCKTSWADRVR EAAAQRRLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 MET 2 -5 ALA 3 -4 SER 4 -3 MET 5 -2 THR 6 -1 GLY 7 0 GLY 8 1 GLN 9 2 GLN 10 3 MET 11 4 GLY 12 5 ARG 13 6 ASP 14 7 PRO 15 8 GLY 16 9 ILE 17 10 SER 18 11 SER 19 12 ASP 20 13 ASP 21 14 ASP 22 15 PHE 23 16 ASP 24 17 SER 25 18 SER 26 19 ASP 27 20 SER 28 21 SER 29 22 SER 30 23 ASP 31 24 GLU 32 25 GLU 33 26 GLU 34 27 SER 35 28 ASP 36 29 THR 37 30 SER 38 31 PRO 39 32 GLN 40 33 ILE 41 34 MET 42 35 LYS 43 36 SER 44 37 ASP 45 38 VAL 46 39 THR 47 40 MET 48 41 ALA 49 42 SER 50 43 PRO 51 44 PRO 52 45 SER 53 46 THR 54 47 PRO 55 48 GLU 56 49 PRO 57 50 SER 58 51 LEU 59 52 ASP 60 53 VAL 61 54 SER 62 55 ALA 63 56 SER 64 57 THR 65 58 SER 66 59 ASN 67 60 LEU 68 61 LYS 69 62 ARG 70 63 GLU 71 64 ARG 72 65 GLN 73 66 ARG 74 67 SER 75 68 PRO 76 69 ILE 77 70 THR 78 71 TRP 79 72 GLU 80 73 HIS 81 74 GLN 82 75 SER 83 76 PRO 84 77 LEU 85 78 SER 86 79 ARG 87 80 VAL 88 81 TYR 89 82 ARG 90 83 SER 91 84 PRO 92 85 SER 93 86 PRO 94 87 MET 95 88 ARG 96 89 PHE 97 90 GLY 98 91 LYS 99 92 ARG 100 93 PRO 101 94 ARG 102 95 ILE 103 96 SER 104 97 SER 105 98 ASN 106 99 SER 107 100 THR 108 101 SER 109 102 ARG 110 103 SER 111 104 CYS 112 105 LYS 113 106 THR 114 107 SER 115 108 TRP 116 109 ALA 117 110 ASP 118 111 ARG 119 112 VAL 120 113 ARG 121 114 GLU 122 115 ALA 123 116 ALA 124 117 ALA 125 118 GLN 126 119 ARG 127 120 ARG 128 121 LEU 129 122 GLU 130 123 HIS 131 124 HIS 132 125 HIS 133 126 HIS 134 127 HIS 135 128 HIS 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 16698 ORF57_8-120 100.00 135 99.26 99.26 6.13e-89 EMBL CAA45680 "unnamed protein product [Saimiriine herpesvirus 2]" 83.70 417 99.12 99.12 2.08e-67 EMBL CAC84353 "hypothetical protein [Saimiriine herpesvirus 2]" 83.70 427 99.12 99.12 8.57e-68 EMBL CAC84354 "hypothetical protein [Saimiriine herpesvirus 2]" 64.44 385 98.85 98.85 2.40e-49 GB AAA46125 "transactivator, partial [Saimiriine herpesvirus 2]" 83.70 412 99.12 99.12 1.45e-67 GB AAA66558 "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" 64.44 384 98.85 98.85 4.34e-49 PIR WMBEHA "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" 83.70 417 99.12 99.12 2.08e-67 REF NP_040259 "unnamed protein product [Saimiriine herpesvirus 2]" 83.70 417 99.12 99.12 2.08e-67 SP P13199 "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " 83.70 417 99.12 99.12 2.08e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $REF_54-155 Mouse 10090 Eukaryota Metazoa Mus musculus $ORF57_8-120 'Human herpesvirus 1' 10298 Viruses . Simplexvirus 'Human herpesvirus 1' 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 $REF_54-155 'recombinant technology' . Escherichia coli 'BL21 (DE3) RP' pET24b $ORF57_8-120 'recombinant technology' . Escherichia coli 'BL21 (DE3) RP' pET24b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C/15N ORF57 8-120 and unlabelled REF 54-155 (1:2)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ORF57_8-120 1 mM '[U-99% 13C; U-99% 15N]' $REF_54-155 2 mM 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' L-Arg 50 mM 'natural abundance' L-Glu 50 mM 'natural abundance' 2-mercaptoethanol 50 mM 'natural abundance' DTT 10 mM 'natural abundance' EDTA 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 2.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'Majority of spectra acquired on 600' save_ save_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II+' _Field_strength 700 _Details 'Used for carbon-detection spectra' 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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM Na phosphate buffer, pH 6.2, 50 mM NaCl, 50 mM L-Arg, 50 mM L-Glu, 50 mM 2-mercaptoethanol, 10 mM DTT, 10 mM EDTA' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.5 mM pH 6.2 0.05 pH pressure 1 . atm temperature 288 0.1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details '20 mM Na phosphate buffer, pH 6.2, 50 mM NaCl, 50 mM L-Arg, 50 mM L-Glu, 50 mM 2-mercaptoethanol, 10 mM DTT, 10 mM EDTA' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.5 mM pH 6.2 0.05 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_shift_ref _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_ORF57+REF_303k _Saveframe_category assigned_chemical_shifts _Details 'The file contains assignments for ORF57 8-120 bound to REF 54-155 at 303k' loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $shift_ref _Mol_system_component_name ORF57_8-120 _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 5 THR H H 8.253 0.020 1 2 -2 5 THR N N 114.703 0.100 1 3 -1 6 GLY H H 8.475 0.020 1 4 -1 6 GLY N N 111.392 0.100 1 5 0 7 GLY H H 8.344 0.020 1 6 0 7 GLY N N 108.749 0.100 1 7 1 8 GLN H H 8.335 0.020 1 8 1 8 GLN N N 119.886 0.100 1 9 2 9 GLN H H 8.53 0.020 1 10 2 9 GLN N N 121.520 0.100 1 11 3 10 MET H H 8.459 0.020 1 12 3 10 MET N N 121.768 0.100 1 13 4 11 GLY H H 8.462 0.020 1 14 4 11 GLY N N 110.223 0.100 1 15 5 12 ARG H H 8.129 0.020 1 16 5 12 ARG N N 120.342 0.100 1 17 6 13 ASP H H 8.461 0.020 1 18 6 13 ASP N N 123.825 0.100 1 19 8 15 GLY H H 8.594 0.020 1 20 8 15 GLY N N 108.565 0.100 1 21 9 16 ILE H H 7.821 0.020 1 22 9 16 ILE N N 119.643 0.100 1 23 10 17 SER H H 8.453 0.020 1 24 10 17 SER N N 120.084 0.100 1 25 11 18 SER H H 8.463 0.020 1 26 11 18 SER N N 118.261 0.100 1 27 12 19 ASP H H 8.422 0.020 1 28 12 19 ASP N N 122.485 0.100 1 29 13 20 ASP H H 8.187 0.020 1 30 13 20 ASP N N 120.090 0.100 1 31 14 21 ASP H H 8.177 0.020 1 32 14 21 ASP N N 120.312 0.100 1 33 15 22 PHE H H 8.091 0.020 1 34 15 22 PHE N N 120.498 0.100 1 35 16 23 ASP H H 8.327 0.020 1 36 16 23 ASP N N 122.320 0.100 1 37 17 24 SER H H 8.257 0.020 1 38 17 24 SER N N 117.207 0.100 1 39 18 25 SER H H 8.435 0.020 1 40 18 25 SER N N 118.130 0.100 1 41 19 26 ASP H H 8.358 0.020 1 42 19 26 ASP N N 122.355 0.100 1 43 20 27 SER H H 8.291 0.020 1 44 20 27 SER N N 116.489 0.100 1 45 21 28 SER H H 8.449 0.020 1 46 21 28 SER N N 118.191 0.100 1 47 22 29 SER H H 8.394 0.020 1 48 22 29 SER N N 117.780 0.100 1 49 23 30 ASP H H 8.387 0.020 1 50 23 30 ASP N N 122.640 0.100 1 51 24 31 GLU H H 8.317 0.020 1 52 24 31 GLU N N 120.797 0.100 1 53 25 32 GLU H H 8.397 0.020 1 54 25 32 GLU N N 121.813 0.100 1 55 26 33 GLU H H 8.477 0.020 1 56 26 33 GLU N N 122.355 0.100 1 57 27 34 SER H H 8.381 0.020 1 58 27 34 SER N N 117.046 0.100 1 59 28 35 ASP H H 8.425 0.020 1 60 28 35 ASP N N 122.489 0.100 1 61 29 36 THR H H 8.14 0.020 1 62 29 36 THR N N 113.778 0.100 1 63 30 37 SER H H 8.323 0.020 1 64 30 37 SER N N 119.810 0.100 1 65 32 39 GLN H H 8.446 0.020 1 66 32 39 GLN N N 120.381 0.100 1 67 33 40 ILE H H 8.117 0.020 1 68 33 40 ILE N N 122.025 0.100 1 69 34 41 MET H H 8.439 0.020 1 70 34 41 MET N N 124.625 0.100 1 71 35 42 LYS H H 8.364 0.020 1 72 35 42 LYS N N 123.335 0.100 1 73 36 43 SER H H 8.352 0.020 1 74 36 43 SER N N 116.981 0.100 1 75 37 44 ASP H H 8.499 0.020 1 76 37 44 ASP N N 122.633 0.100 1 77 38 45 VAL H H 8.093 0.020 1 78 38 45 VAL N N 119.627 0.100 1 79 39 46 THR H H 8.28 0.020 1 80 39 46 THR N N 117.522 0.100 1 81 40 47 MET H H 8.285 0.020 1 82 40 47 MET N N 122.877 0.100 1 83 41 48 ALA H H 8.274 0.020 1 84 41 48 ALA N N 125.471 0.100 1 85 42 49 SER H H 8.275 0.020 1 86 42 49 SER N N 116.721 0.100 1 87 45 52 SER H H 8.431 0.020 1 88 45 52 SER N N 116.210 0.100 1 89 46 53 THR H H 8.18 0.020 1 90 46 53 THR N N 118.046 0.100 1 91 48 55 GLU H H 8.46 0.020 1 92 48 55 GLU N N 122.747 0.100 1 93 50 57 SER H H 8.459 0.020 1 94 50 57 SER N N 117.630 0.100 1 95 52 59 ASP H H 8.364 0.020 1 96 52 59 ASP N N 119.990 0.100 1 97 53 60 VAL H H 8.067 0.020 1 98 53 60 VAL N N 120.280 0.100 1 99 54 61 SER H H 8.384 0.020 1 100 54 61 SER N N 118.803 0.100 1 101 55 62 ALA H H 8.279 0.020 1 102 55 62 ALA N N 125.752 0.100 1 103 56 63 SER H H 8.273 0.020 1 104 56 63 SER N N 114.493 0.100 1 105 57 64 THR H H 8.139 0.020 1 106 57 64 THR N N 115.217 0.100 1 107 58 65 SER H H 8.267 0.020 1 108 58 65 SER N N 117.625 0.100 1 109 59 66 ASN H H 8.447 0.020 1 110 59 66 ASN N N 120.750 0.100 1 111 60 67 LEU H H 8.077 0.020 1 112 60 67 LEU N N 121.889 0.100 1 113 61 68 LYS H H 8.22 0.020 1 114 61 68 LYS N N 121.477 0.100 1 115 62 69 ARG H H 8.223 0.020 1 116 62 69 ARG N N 121.778 0.100 1 117 63 70 GLU H H 8.381 0.020 1 118 63 70 GLU N N 121.324 0.100 1 119 64 71 ARG H H 8.4 0.020 1 120 64 71 ARG N N 122.534 0.100 1 121 65 72 GLN H H 8.448 0.020 1 122 65 72 GLN N N 121.767 0.100 1 123 66 73 ARG H H 8.366 0.020 1 124 66 73 ARG N N 121.710 0.100 1 125 67 74 SER H H 8.347 0.020 1 126 67 74 SER N N 116.119 0.100 1 127 69 76 ILE H H 8.14 0.020 1 128 69 76 ILE N N 120.489 0.100 1 129 70 77 THR H H 7.978 0.020 1 130 70 77 THR N N 117.238 0.100 1 131 71 78 TRP H H 8.076 0.020 1 132 71 78 TRP N N 122.932 0.100 1 133 72 79 GLU H H 8.308 0.020 1 134 72 79 GLU N N 121.831 0.100 1 135 73 80 HIS H H 8.371 0.020 1 136 73 80 HIS N N 118.751 0.100 1 137 74 81 GLN H H 8.191 0.020 1 138 74 81 GLN N N 121.931 0.100 1 139 78 85 SER H H 8.075 0.020 1 140 78 85 SER N N 115.643 0.100 1 141 79 86 ARG H H 8.223 0.020 1 142 79 86 ARG N N 122.684 0.100 1 143 80 87 VAL H H 7.958 0.020 1 144 80 87 VAL N N 120.175 0.100 1 145 81 88 TYR H H 8.266 0.020 1 146 81 88 TYR N N 124.336 0.100 1 147 82 89 ARG H H 8.088 0.020 1 148 82 89 ARG N N 123.720 0.100 1 149 83 90 SER H H 8.316 0.020 1 150 83 90 SER N N 118.902 0.100 1 151 85 92 SER H H 8.465 0.020 1 152 85 92 SER N N 118.608 0.100 1 153 87 94 MET H H 8.328 0.020 1 154 87 94 MET N N 120.019 0.100 1 155 88 95 ARG H H 8.185 0.020 1 156 88 95 ARG N N 120.743 0.100 1 157 89 96 PHE H H 8.269 0.020 1 158 89 96 PHE N N 120.682 0.100 1 159 90 97 GLY H H 8.334 0.020 1 160 90 97 GLY N N 109.949 0.100 1 161 91 98 LYS H H 8.18 0.020 1 162 91 98 LYS N N 120.811 0.100 1 163 92 99 ARG H H 8.461 0.020 1 164 92 99 ARG N N 123.835 0.100 1 165 94 101 ARG H H 8.476 0.020 1 166 94 101 ARG N N 121.856 0.100 1 167 95 102 ILE H H 8.239 0.020 1 168 95 102 ILE N N 122.395 0.100 1 169 96 103 SER H H 8.461 0.020 1 170 96 103 SER N N 120.138 0.100 1 171 97 104 SER H H 8.376 0.020 1 172 97 104 SER N N 118.508 0.100 1 173 98 105 ASN H H 8.492 0.020 1 174 98 105 ASN N N 120.627 0.100 1 175 99 106 SER H H 8.362 0.020 1 176 99 106 SER N N 116.494 0.100 1 177 100 107 THR H H 8.243 0.020 1 178 100 107 THR N N 115.532 0.100 1 179 101 108 SER H H 8.312 0.020 1 180 101 108 SER N N 118.076 0.100 1 181 102 109 ARG H H 8.391 0.020 1 182 102 109 ARG N N 122.971 0.100 1 183 103 110 SER H H 8.383 0.020 1 184 103 110 SER N N 117.419 0.100 1 185 104 111 CYS H H 8.366 0.020 1 186 104 111 CYS N N 120.944 0.100 1 187 106 113 THR H H 8.18 0.020 1 188 106 113 THR N N 116.632 0.100 1 189 109 116 ALA H H 8.164 0.020 1 190 109 116 ALA N N 122.370 0.100 1 191 110 117 ASP H H 7.8 0.020 1 192 110 117 ASP N N 117.273 0.100 1 193 112 119 VAL H H 8.065 0.020 1 194 112 119 VAL N N 120.005 0.100 1 195 113 120 ARG H H 7.872 0.020 1 196 113 120 ARG N N 120.921 0.100 1 197 114 121 GLU H H 8.282 0.020 1 198 114 121 GLU N N 121.057 0.100 1 199 115 122 ALA H H 8.066 0.020 1 200 115 122 ALA N N 123.492 0.100 1 201 117 124 ALA H H 7.981 0.020 1 202 117 124 ALA N N 121.741 0.100 1 203 118 125 GLN H H 8.073 0.020 1 204 118 125 GLN N N 117.334 0.100 1 205 119 126 ARG H H 7.867 0.020 1 206 119 126 ARG N N 119.491 0.100 1 207 122 129 GLU H H 8.019 0.020 1 208 122 129 GLU N N 120.349 0.100 1 stop_ save_