data_17663 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HVS ORF57 56-140 backbone assignment ; _BMRB_accession_number 17663 _BMRB_flat_file_name bmr17663.str _Entry_type original _Submission_date 2011-05-25 _Accession_date 2011-05-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The file contains assignments for ORF57 56-140 free form at 303k' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tunnicliffe Richard B. . 2 Hautbergue Guillaume M. . 3 Wilson Stuart A. . 4 Golovanov Alexander P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 214 "13C chemical shifts" 229 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17664 'ORF57 103-120' stop_ _Original_release_date 2011-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _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 . _Page_last . _Year 2011 _Details . loop_ _Keyword Herpes RNA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ORF57 56-140' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ORF57 56-140' $HVS_ORF57 stop_ _System_molecular_weight 12445.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HVS_ORF57 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HVS_ORF57 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; MASMTGGQQMGRDPSTSNLK RERQRSPITWEHQSPLSRVY RSPSPMRFGKRPRISSNSTS RSCKTSWADRVREAAAQRRP SRPFRKPYSHPRNGPLRNGL EHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 42 MET 2 43 ALA 3 99 SER 4 45 MET 5 46 THR 6 47 GLY 7 48 GLY 8 49 GLN 9 50 GLN 10 51 MET 11 52 GLY 12 53 ARG 13 54 ASP 14 55 PRO 15 56 SER 16 57 THR 17 58 SER 18 59 ASN 19 60 LEU 20 61 LYS 21 62 ARG 22 63 GLU 23 64 ARG 24 65 GLN 25 66 ARG 26 67 SER 27 68 PRO 28 69 ILE 29 70 THR 30 71 TRP 31 72 GLU 32 73 HIS 33 74 GLN 34 75 SER 35 76 PRO 36 77 LEU 37 78 SER 38 79 ARG 39 80 VAL 40 81 TYR 41 82 ARG 42 83 SER 43 84 PRO 44 85 SER 45 86 PRO 46 87 MET 47 88 ARG 48 89 PHE 49 90 GLY 50 91 LYS 51 92 ARG 52 93 PRO 53 94 ARG 54 95 ILE 55 96 SER 56 97 SER 57 98 ASN 58 99 SER 59 100 THR 60 101 SER 61 102 ARG 62 103 SER 63 104 CYS 64 105 LYS 65 106 THR 66 107 SER 67 108 TRP 68 109 ALA 69 110 ASP 70 111 ARG 71 112 VAL 72 113 ARG 73 114 GLU 74 116 ALA 75 117 ALA 76 117 ALA 77 118 GLN 78 119 ARG 79 120 ARG 80 121 PRO 81 122 SER 82 123 ARG 83 124 PRO 84 125 PHE 85 126 ARG 86 127 LYS 87 128 PRO 88 129 TYR 89 130 SER 90 131 HIS 91 132 PRO 92 133 ARG 93 134 ASN 94 135 GLY 95 136 PRO 96 137 LEU 97 138 ARG 98 139 ASN 99 140 GLY 100 141 LEU 101 142 GLU 102 143 HIS 103 144 HIS 104 145 HIS 105 146 HIS 106 147 HIS 107 148 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 EMBL CAA45680 "unnamed protein product [Saimiriine herpesvirus 2]" 79.44 417 100.00 100.00 2.23e-50 EMBL CAC84353 "hypothetical protein [Saimiriine herpesvirus 2]" 79.44 427 98.82 98.82 3.47e-49 EMBL CAC84354 "hypothetical protein [Saimiriine herpesvirus 2]" 79.44 385 98.82 98.82 2.48e-49 GB AAA46125 "transactivator, partial [Saimiriine herpesvirus 2]" 79.44 412 100.00 100.00 2.13e-50 GB AAA66558 "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" 79.44 384 100.00 100.00 1.52e-50 PIR WMBEHA "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" 79.44 417 100.00 100.00 2.23e-50 REF NP_040259 "unnamed protein product [Saimiriine herpesvirus 2]" 79.44 417 100.00 100.00 2.23e-50 SP P13199 "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " 79.44 417 100.00 100.00 2.23e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HVS_ORF57 'Herpesvirus saimiri' 00.031.3.02.014 10381 Viruses . Herpesvirus saimiri 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 $HVS_ORF57 '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 . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HVS_ORF57 1.0 mM '[U-95% 13C; U-95% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 0.05 . M 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_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 protons ppm 0 internal indirect . . . 0.251449530 DSS H 1 protons ppm 0 internal direct . . . 1 DSS N 15 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 HBHA(CO)NH' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' 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 'ORF57 56-140' _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 60 19 LEU H H 8.075 0.01 1 2 60 19 LEU HA H 4.270 0.01 1 3 60 19 LEU HB2 H 1.580 0.01 1 4 60 19 LEU C C 177.370 0.1 1 5 60 19 LEU CA C 55.620 0.1 1 6 60 19 LEU CB C 42.270 0.1 1 7 60 19 LEU N N 122.200 0.1 1 8 61 20 LYS H H 8.212 0.01 1 9 61 20 LYS HA H 4.250 0.01 1 10 61 20 LYS HB2 H 1.760 0.01 1 11 61 20 LYS C C 176.600 0.1 1 12 61 20 LYS CA C 56.400 0.1 1 13 61 20 LYS CB C 32.600 0.1 1 14 61 20 LYS N N 121.865 0.1 1 15 62 21 ARG H H 8.322 0.01 1 16 62 21 ARG HA H 4.260 0.01 1 17 62 21 ARG HB2 H 1.760 0.01 1 18 62 21 ARG C C 176.270 0.1 1 19 62 21 ARG CA C 56.480 0.1 1 20 62 21 ARG CB C 30.500 0.1 1 21 62 21 ARG N N 121.818 0.1 1 22 63 22 GLU H H 8.341 0.01 1 23 63 22 GLU HA H 4.280 0.01 1 24 63 22 GLU HB2 H 2.330 0.01 1 25 63 22 GLU C C 175.850 0.1 1 26 63 22 GLU CA C 55.950 0.1 1 27 63 22 GLU CB C 29.450 0.1 1 28 63 22 GLU N N 121.488 0.1 1 29 64 23 ARG H H 8.353 0.01 1 30 64 23 ARG HA H 4.320 0.01 1 31 64 23 ARG HB2 H 1.740 0.01 1 32 64 23 ARG C C 176.040 0.1 1 33 64 23 ARG CA C 56.050 0.1 1 34 64 23 ARG CB C 30.920 0.1 1 35 64 23 ARG N N 122.574 0.1 1 36 65 24 GLN H H 8.226 0.01 1 37 65 24 GLN C C 176.590 0.1 1 38 65 24 GLN CA C 56.250 0.1 1 39 65 24 GLN CB C 30.780 0.1 1 40 65 24 GLN N N 122.037 0.1 1 41 66 25 ARG H H 8.203 0.01 1 42 66 25 ARG HA H 4.260 0.01 1 43 66 25 ARG HB2 H 1.760 0.01 1 44 66 25 ARG C C 176.380 0.1 1 45 66 25 ARG CA C 56.580 0.1 1 46 66 25 ARG CB C 32.650 0.1 1 47 66 25 ARG N N 122.043 0.1 1 48 67 26 SER H H 8.271 0.01 1 49 67 26 SER HA H 4.440 0.01 1 50 67 26 SER HB2 H 3.840 0.01 1 51 67 26 SER N N 116.511 0.1 1 52 68 27 PRO C C 176.730 0.1 1 53 68 27 PRO CA C 63.410 0.1 1 54 68 27 PRO CB C 31.900 0.1 1 55 69 28 ILE H H 8.073 0.01 1 56 69 28 ILE HA H 4.040 0.01 1 57 69 28 ILE HB H 1.710 0.01 1 58 69 28 ILE C C 176.380 0.1 1 59 69 28 ILE CA C 61.400 0.1 1 60 69 28 ILE CB C 38.560 0.1 1 61 69 28 ILE N N 120.489 0.1 1 62 70 29 THR H H 7.913 0.01 1 63 70 29 THR HA H 4.280 0.01 1 64 70 29 THR HB H 4.130 0.01 1 65 70 29 THR C C 174.210 0.1 1 66 70 29 THR CA C 61.620 0.1 1 67 70 29 THR CB C 69.870 0.1 1 68 70 29 THR N N 117.277 0.1 1 69 71 30 TRP H H 8.004 0.01 1 70 71 30 TRP HA H 4.640 0.01 1 71 71 30 TRP HB2 H 3.210 0.01 1 72 71 30 TRP C C 176.100 0.1 1 73 71 30 TRP CA C 57.350 0.1 1 74 71 30 TRP CB C 29.610 0.1 1 75 71 30 TRP N N 122.898 0.1 1 76 72 31 GLU H H 8.235 0.01 1 77 72 31 GLU HA H 4.100 0.01 1 78 72 31 GLU HB2 H 2.000 0.01 1 79 72 31 GLU C C 176.200 0.1 1 80 72 31 GLU CA C 57.040 0.1 1 81 72 31 GLU CB C 30.700 0.1 1 82 72 31 GLU N N 121.842 0.1 1 83 73 32 HIS H H 8.201 0.01 1 84 73 32 HIS HA H 4.570 0.01 1 85 73 32 HIS HB2 H 3.090 0.01 1 86 73 32 HIS C C 176.400 0.1 1 87 73 32 HIS CA C 56.010 0.1 1 88 73 32 HIS CB C 29.800 0.1 1 89 73 32 HIS N N 119.145 0.1 1 90 74 33 GLN H H 8.401 0.01 1 91 74 33 GLN HA H 4.250 0.01 1 92 74 33 GLN HB2 H 2.230 0.01 1 93 74 33 GLN C C 176.030 0.1 1 94 74 33 GLN CA C 56.750 0.1 1 95 74 33 GLN CB C 30.380 0.1 1 96 74 33 GLN N N 121.955 0.1 1 97 75 34 SER H H 8.315 0.01 1 98 75 34 SER HA H 4.700 0.01 1 99 75 34 SER HB2 H 3.810 0.01 1 100 75 34 SER C C 172.700 0.1 1 101 75 34 SER CA C 56.380 0.1 1 102 75 34 SER CB C 63.440 0.1 1 103 75 34 SER N N 118.548 0.1 1 104 76 35 PRO C C 177.170 0.1 1 105 76 35 PRO CA C 63.600 0.1 1 106 76 35 PRO CB C 31.830 0.1 1 107 77 36 LEU H H 8.105 0.01 1 108 77 36 LEU HA H 4.270 0.01 1 109 77 36 LEU HB2 H 1.580 0.01 1 110 77 36 LEU C C 177.590 0.1 1 111 77 36 LEU CA C 55.510 0.1 1 112 77 36 LEU CB C 42.140 0.1 1 113 77 36 LEU N N 120.396 0.1 1 114 78 37 SER H H 8.003 0.01 1 115 78 37 SER HA H 4.370 0.01 1 116 78 37 SER HB2 H 3.850 0.01 1 117 78 37 SER C C 174.560 0.1 1 118 78 37 SER CA C 58.580 0.1 1 119 78 37 SER CB C 63.770 0.1 1 120 78 37 SER N N 115.557 0.1 1 121 79 38 ARG H H 8.137 0.01 1 122 79 38 ARG HA H 4.280 0.01 1 123 79 38 ARG HB2 H 1.740 0.01 1 124 79 38 ARG C C 175.920 0.1 1 125 79 38 ARG CA C 56.300 0.1 1 126 79 38 ARG CB C 30.700 0.1 1 127 79 38 ARG N N 122.601 0.1 1 128 80 39 VAL H H 7.890 0.01 1 129 80 39 VAL HA H 4.020 0.01 1 130 80 39 VAL HB H 1.950 0.01 1 131 80 39 VAL C C 175.650 0.1 1 132 80 39 VAL CA C 62.400 0.1 1 133 80 39 VAL CB C 32.780 0.1 1 134 80 39 VAL N N 120.225 0.1 1 135 81 40 TYR H H 8.219 0.01 1 136 81 40 TYR HA H 4.510 0.01 1 137 81 40 TYR HB2 H 2.920 0.01 1 138 81 40 TYR C C 175.270 0.1 1 139 81 40 TYR CA C 56.090 0.1 1 140 81 40 TYR CB C 39.410 0.1 1 141 81 40 TYR N N 124.479 0.1 1 142 82 41 ARG H H 8.015 0.01 1 143 82 41 ARG HA H 4.280 0.01 1 144 82 41 ARG HB2 H 1.670 0.01 1 145 82 41 ARG C C 175.300 0.1 1 146 82 41 ARG CA C 55.400 0.1 1 147 82 41 ARG CB C 30.800 0.1 1 148 82 41 ARG N N 123.825 0.1 1 149 83 42 SER H H 8.239 0.01 1 150 83 42 SER HA H 4.610 0.01 1 151 83 42 SER HB2 H 3.810 0.01 1 152 83 42 SER CA C 56.510 0.1 1 153 83 42 SER CB C 63.490 0.1 1 154 83 42 SER N N 118.856 0.1 1 155 84 43 PRO C C 176.680 0.1 1 156 84 43 PRO CA C 63.100 0.1 1 157 84 43 PRO CB C 31.700 0.1 1 158 85 44 SER H H 8.309 0.01 1 159 85 44 SER HA H 4.690 0.01 1 160 85 44 SER HB2 H 3.800 0.01 1 161 85 44 SER C C 173.000 0.1 1 162 85 44 SER CA C 56.500 0.1 1 163 85 44 SER CB C 62.770 0.1 1 164 85 44 SER N N 117.352 0.1 1 165 86 45 PRO C C 176.900 0.1 1 166 86 45 PRO CA C 63.500 0.1 1 167 86 45 PRO CB C 31.900 0.1 1 168 87 46 MET H H 8.266 0.01 1 169 87 46 MET HA H 4.340 0.01 1 170 87 46 MET HB2 H 2.470 0.01 1 171 87 46 MET HB3 H 2.470 0.01 1 172 87 46 MET C C 176.140 0.1 1 173 87 46 MET CA C 55.780 0.1 1 174 87 46 MET CB C 32.500 0.1 1 175 87 46 MET N N 120.071 0.1 1 176 88 47 ARG H H 8.127 0.01 1 177 88 47 ARG HA H 4.230 0.01 1 178 88 47 ARG HB2 H 1.630 0.01 1 179 88 47 ARG C C 175.830 0.1 1 180 88 47 ARG CA C 56.100 0.1 1 181 88 47 ARG CB C 30.700 0.1 1 182 88 47 ARG N N 121.938 0.1 1 183 89 48 PHE H H 8.195 0.01 1 184 89 48 PHE HA H 4.610 0.01 1 185 89 48 PHE HB2 H 3.180 0.01 1 186 89 48 PHE C C 176.190 0.1 1 187 89 48 PHE CA C 57.780 0.1 1 188 89 48 PHE CB C 39.390 0.1 1 189 89 48 PHE N N 120.675 0.1 1 190 90 49 GLY H H 8.255 0.01 1 191 90 49 GLY HA2 H 3.880 0.01 1 192 90 49 GLY C C 173.750 0.1 1 193 90 49 GLY CA C 45.190 0.1 1 194 90 49 GLY N N 109.906 0.1 1 195 91 50 LYS H H 8.106 0.01 1 196 91 50 LYS HA H 4.300 0.01 1 197 91 50 LYS HB2 H 1.700 0.01 1 198 91 50 LYS C C 176.360 0.1 1 199 91 50 LYS CA C 56.180 0.1 1 200 91 50 LYS CB C 33.080 0.1 1 201 91 50 LYS N N 120.740 0.1 1 202 92 51 ARG H H 8.327 0.01 1 203 92 51 ARG HA H 4.550 0.01 1 204 92 51 ARG HB2 H 1.690 0.01 1 205 92 51 ARG C C 174.200 0.1 1 206 92 51 ARG CA C 54.000 0.1 1 207 92 51 ARG CB C 30.000 0.1 1 208 92 51 ARG N N 123.498 0.1 1 209 93 52 PRO C C 177.140 0.1 1 210 93 52 PRO CA C 63.150 0.1 1 211 93 52 PRO CB C 31.000 0.1 1 212 94 53 ARG H H 8.395 0.01 1 213 94 53 ARG HA H 4.260 0.01 1 214 94 53 ARG HB2 H 1.740 0.01 1 215 94 53 ARG C C 176.300 0.1 1 216 94 53 ARG CA C 56.220 0.1 1 217 94 53 ARG CB C 30.900 0.1 1 218 94 53 ARG N N 121.776 0.1 1 219 95 54 ILE H H 8.165 0.01 1 220 95 54 ILE HA H 4.220 0.01 1 221 95 54 ILE HB H 1.840 0.01 1 222 95 54 ILE C C 176.130 0.1 1 223 95 54 ILE CA C 61.260 0.1 1 224 95 54 ILE CB C 38.880 0.1 1 225 95 54 ILE N N 122.408 0.1 1 226 96 55 SER H H 8.395 0.01 1 227 96 55 SER HA H 4.480 0.01 1 228 96 55 SER HB2 H 3.830 0.01 1 229 96 55 SER CA C 58.100 0.1 1 230 96 55 SER N N 120.189 0.1 1 231 97 56 SER H H 8.373 0.01 1 232 97 56 SER HB2 H 3.820 0.01 1 233 97 56 SER CA C 58.300 0.1 1 234 97 56 SER N N 118.475 0.1 1 235 98 57 ASN H H 8.452 0.01 1 236 98 57 ASN HB2 H 2.770 0.01 1 237 98 57 ASN N N 121.155 0.1 1 238 99 58 SER H H 8.263 0.01 1 239 99 58 SER HA H 4.440 0.01 1 240 99 58 SER HB2 H 3.840 0.01 1 241 99 58 SER C C 176.700 0.1 1 242 99 58 SER N N 116.131 0.1 1 243 100 59 THR H H 8.210 0.01 1 244 100 59 THR HA H 4.360 0.01 1 245 100 59 THR HG2 H 1.180 0.01 1 246 100 59 THR C C 174.750 0.1 1 247 100 59 THR CA C 62.000 0.1 1 248 100 59 THR CB C 69.860 0.1 1 249 100 59 THR N N 115.500 0.1 1 250 101 60 SER H H 8.229 0.01 1 251 101 60 SER HA H 4.430 0.01 1 252 101 60 SER HB2 H 3.850 0.01 1 253 101 60 SER C C 174.300 0.1 1 254 101 60 SER CA C 58.400 0.1 1 255 101 60 SER CB C 63.800 0.1 1 256 101 60 SER N N 117.988 0.1 1 257 102 61 ARG H H 8.324 0.01 1 258 102 61 ARG HA H 4.320 0.01 1 259 102 61 ARG HB2 H 1.780 0.01 1 260 102 61 ARG C C 176.200 0.1 1 261 102 61 ARG CA C 56.500 0.1 1 262 102 61 ARG CB C 30.900 0.1 1 263 102 61 ARG N N 122.946 0.1 1 264 103 62 SER H H 8.371 0.01 1 265 103 62 SER HA H 4.430 0.01 1 266 103 62 SER HB2 H 3.820 0.01 1 267 103 62 SER C C 173.250 0.1 1 268 103 62 SER CA C 56.430 0.1 1 269 103 62 SER CB C 63.600 0.1 1 270 103 62 SER N N 118.309 0.1 1 271 104 63 CYS H H 8.305 0.01 1 272 104 63 CYS HA H 4.500 0.01 1 273 104 63 CYS HB2 H 2.920 0.01 1 274 104 63 CYS C C 174.300 0.1 1 275 104 63 CYS CA C 58.220 0.1 1 276 104 63 CYS CB C 27.600 0.1 1 277 104 63 CYS N N 121.242 0.1 1 278 105 64 LYS H H 8.385 0.01 1 279 105 64 LYS HA H 4.330 0.01 1 280 105 64 LYS HB2 H 1.740 0.01 1 281 105 64 LYS C C 176.700 0.1 1 282 105 64 LYS CA C 56.600 0.1 1 283 105 64 LYS N N 123.788 0.1 1 284 106 65 THR H H 8.063 0.01 1 285 106 65 THR HA H 4.300 0.01 1 286 106 65 THR HB H 4.080 0.01 1 287 106 65 THR C C 174.400 0.1 1 288 106 65 THR CA C 62.000 0.1 1 289 106 65 THR CB C 69.000 0.1 1 290 106 65 THR N N 115.019 0.1 1 291 107 66 SER H H 8.414 0.01 1 292 107 66 SER HA H 4.450 0.01 1 293 107 66 SER HB2 H 3.860 0.01 1 294 107 66 SER C C 174.800 0.1 1 295 107 66 SER CA C 58.450 0.1 1 296 107 66 SER CB C 63.800 0.1 1 297 107 66 SER N N 118.711 0.1 1 298 108 67 TRP H H 8.332 0.01 1 299 108 67 TRP HA H 4.540 0.01 1 300 108 67 TRP HB2 H 3.270 0.01 1 301 108 67 TRP C C 176.400 0.1 1 302 108 67 TRP CA C 58.740 0.1 1 303 108 67 TRP CB C 30.190 0.1 1 304 108 67 TRP N N 123.645 0.1 1 305 109 68 ALA H H 8.022 0.01 1 306 109 68 ALA HA H 4.010 0.01 1 307 109 68 ALA HB H 1.250 0.01 1 308 109 68 ALA C C 178.400 0.1 1 309 109 68 ALA CA C 53.710 0.1 1 310 109 68 ALA CB C 18.700 0.1 1 311 109 68 ALA N N 122.841 0.1 1 312 110 69 ASP H H 7.912 0.01 1 313 110 69 ASP HA H 4.450 0.01 1 314 110 69 ASP HB2 H 2.650 0.01 1 315 110 69 ASP C C 176.900 0.1 1 316 110 69 ASP CA C 55.400 0.1 1 317 110 69 ASP CB C 41.100 0.1 1 318 110 69 ASP N N 118.235 0.1 1 319 111 70 ARG H H 7.929 0.01 1 320 111 70 ARG HA H 4.150 0.01 1 321 111 70 ARG HB2 H 1.770 0.01 1 322 111 70 ARG C C 177.500 0.1 1 323 111 70 ARG CA C 57.460 0.1 1 324 111 70 ARG CB C 30.410 0.1 1 325 111 70 ARG N N 120.570 0.1 1 326 112 71 VAL H H 7.959 0.01 1 327 112 71 VAL HA H 3.850 0.01 1 328 112 71 VAL HB H 1.980 0.01 1 329 112 71 VAL C C 177.200 0.1 1 330 112 71 VAL CA C 64.020 0.1 1 331 112 71 VAL CB C 32.400 0.1 1 332 112 71 VAL N N 120.269 0.1 1 333 113 72 ARG H H 8.007 0.01 1 334 113 72 ARG HA H 4.170 0.01 1 335 113 72 ARG HB2 H 1.800 0.01 1 336 113 72 ARG C C 177.360 0.1 1 337 113 72 ARG CA C 57.450 0.1 1 338 113 72 ARG CB C 29.900 0.1 1 339 113 72 ARG N N 123.036 0.1 1 340 114 73 GLU H H 8.227 0.01 1 341 114 73 GLU HA H 4.130 0.01 1 342 114 73 GLU HB2 H 2.240 0.01 1 343 114 73 GLU C C 177.140 0.1 1 344 114 73 GLU CA C 57.700 0.1 1 345 114 73 GLU CB C 29.800 0.1 1 346 114 73 GLU N N 121.058 0.1 1 347 115 74 ALA H H 8.096 0.01 1 348 115 74 ALA HA H 4.200 0.01 1 349 115 74 ALA HB H 1.380 0.01 1 350 115 74 ALA C C 178.470 0.1 1 351 115 74 ALA CA C 53.400 0.1 1 352 115 74 ALA CB C 19.000 0.1 1 353 115 74 ALA N N 123.707 0.1 1 354 116 75 ALA H H 8.000 0.01 1 355 116 75 ALA HA H 4.200 0.01 1 356 116 75 ALA HB H 1.390 0.01 1 357 116 75 ALA C C 178.200 0.1 1 358 116 75 ALA CA C 53.200 0.1 1 359 116 75 ALA CB C 18.800 0.1 1 360 116 75 ALA N N 121.797 0.1 1 361 117 76 ALA H H 7.931 0.01 1 362 117 76 ALA HA H 4.220 0.01 1 363 117 76 ALA HB H 1.390 0.01 1 364 117 76 ALA C C 178.040 0.1 1 365 117 76 ALA CA C 52.920 0.1 1 366 117 76 ALA CB C 18.950 0.1 1 367 117 76 ALA N N 121.680 0.1 1 368 118 77 GLN H H 7.983 0.01 1 369 118 77 GLN HA H 4.250 0.01 1 370 118 77 GLN HB2 H 1.990 0.01 1 371 118 77 GLN C C 176.000 0.1 1 372 118 77 GLN CA C 55.990 0.1 1 373 118 77 GLN CB C 29.200 0.1 1 374 118 77 GLN N N 118.001 0.1 1 375 119 78 ARG H H 8.089 0.01 1 376 119 78 ARG HA H 4.290 0.01 1 377 119 78 ARG HB2 H 1.760 0.01 1 378 119 78 ARG C C 176.000 0.1 1 379 119 78 ARG CA C 56.200 0.1 1 380 119 78 ARG CB C 30.800 0.1 1 381 119 78 ARG N N 121.473 0.1 1 382 120 79 ARG H H 8.271 0.01 1 383 120 79 ARG HA H 4.590 0.01 1 384 120 79 ARG HB2 H 1.690 0.01 1 385 120 79 ARG C C 174.130 0.1 1 386 120 79 ARG CA C 54.000 0.1 1 387 120 79 ARG CB C 30.230 0.1 1 388 120 79 ARG N N 123.317 0.1 1 389 121 80 PRO C C 176.840 0.1 1 390 121 80 PRO CA C 63.100 0.1 1 391 121 80 PRO CB C 31.700 0.1 1 392 122 81 SER H H 8.403 0.01 1 393 122 81 SER HA H 4.370 0.01 1 394 122 81 SER HB2 H 3.820 0.01 1 395 122 81 SER C C 174.200 0.1 1 396 122 81 SER CA C 58.340 0.1 1 397 122 81 SER CB C 64.000 0.1 1 398 122 81 SER N N 116.602 0.1 1 399 123 82 ARG H H 8.240 0.01 1 400 123 82 ARG HA H 4.600 0.01 1 401 123 82 ARG HB2 H 1.650 0.01 1 402 123 82 ARG C C 174.070 0.1 1 403 123 82 ARG CA C 53.960 0.1 1 404 123 82 ARG CB C 29.800 0.1 1 405 123 82 ARG N N 123.301 0.1 1 406 124 83 PRO C C 176.440 0.1 1 407 124 83 PRO CA C 63.160 0.1 1 408 124 83 PRO CB C 31.920 0.1 1 409 125 84 PHE H H 8.249 0.01 1 410 125 84 PHE HA H 4.550 0.01 1 411 125 84 PHE HB2 H 3.030 0.01 1 412 125 84 PHE HB3 H 3.030 0.01 1 413 125 84 PHE C C 175.350 0.1 1 414 125 84 PHE CA C 57.850 0.1 1 415 125 84 PHE CB C 39.620 0.1 1 416 125 84 PHE N N 120.831 0.1 1 417 126 85 ARG H H 8.034 0.01 1 418 126 85 ARG HA H 4.250 0.01 1 419 126 85 ARG HB2 H 1.650 0.01 1 420 126 85 ARG C C 175.200 0.1 1 421 126 85 ARG CA C 55.460 0.1 1 422 126 85 ARG CB C 31.130 0.1 1 423 126 85 ARG N N 123.657 0.1 1 424 127 86 LYS H H 8.244 0.01 1 425 127 86 LYS HA H 4.400 0.01 1 426 127 86 LYS HB2 H 1.670 0.01 1 427 127 86 LYS C C 174.580 0.1 1 428 127 86 LYS CA C 54.510 0.1 1 429 127 86 LYS CB C 32.420 0.1 1 430 127 86 LYS N N 124.400 0.1 1 431 128 87 PRO C C 176.620 0.1 1 432 128 87 PRO CA C 63.250 0.1 1 433 128 87 PRO CB C 31.890 0.1 1 434 129 88 TYR H H 8.141 0.01 1 435 129 88 TYR HA H 4.500 0.01 1 436 129 88 TYR HB2 H 2.940 0.01 1 437 129 88 TYR C C 175.620 0.1 1 438 129 88 TYR CA C 57.960 0.1 1 439 129 88 TYR CB C 38.770 0.1 1 440 129 88 TYR N N 120.461 0.1 1 441 130 89 SER H H 7.969 0.01 1 442 130 89 SER HA H 4.350 0.01 1 443 130 89 SER HB2 H 3.690 0.01 1 444 130 89 SER C C 176.000 0.1 1 445 130 89 SER CA C 57.900 0.1 1 446 130 89 SER CB C 64.150 0.1 1 447 130 89 SER N N 118.064 0.1 1 448 131 90 HIS H H 8.232 0.01 1 449 131 90 HIS HA H 4.270 0.01 1 450 131 90 HIS HB2 H 3.090 0.01 1 451 131 90 HIS N N 122.200 0.1 1 452 132 91 PRO C C 177.010 0.1 1 453 132 91 PRO CA C 63.430 0.1 1 454 132 91 PRO CB C 32.040 0.1 1 455 133 92 ARG H H 8.685 0.01 1 456 133 92 ARG HA H 4.310 0.01 1 457 133 92 ARG HB2 H 1.790 0.01 1 458 133 92 ARG C C 176.120 0.1 1 459 133 92 ARG CA C 56.360 0.1 1 460 133 92 ARG CB C 30.700 0.1 1 461 133 92 ARG N N 121.606 0.1 1 462 134 93 ASN H H 8.401 0.01 1 463 134 93 ASN HA H 4.660 0.01 1 464 134 93 ASN HB2 H 2.760 0.01 1 465 134 93 ASN C C 175.160 0.1 1 466 134 93 ASN CA C 53.100 0.1 1 467 134 93 ASN CB C 39.250 0.1 1 468 134 93 ASN N N 119.336 0.1 1 469 135 94 GLY H H 8.115 0.01 1 470 135 94 GLY HA2 H 4.060 0.01 1 471 135 94 GLY C C 173.660 0.1 1 472 135 94 GLY CA C 44.790 0.1 1 473 135 94 GLY N N 109.202 0.1 1 474 136 95 PRO C C 177.050 0.1 1 475 136 95 PRO CA C 63.240 0.1 1 476 136 95 PRO CB C 32.150 0.1 1 477 137 96 LEU H H 8.288 0.01 1 478 137 96 LEU HA H 4.270 0.01 1 479 137 96 LEU HB2 H 1.570 0.01 1 480 137 96 LEU C C 177.490 0.1 1 481 137 96 LEU CA C 55.320 0.1 1 482 137 96 LEU CB C 42.160 0.1 1 483 137 96 LEU N N 121.837 0.1 1 484 138 97 ARG H H 8.268 0.01 1 485 138 97 ARG HA H 4.290 0.01 1 486 138 97 ARG HB2 H 1.740 0.01 1 487 138 97 ARG C C 175.930 0.1 1 488 138 97 ARG CA C 56.030 0.1 1 489 138 97 ARG CB C 30.580 0.1 1 490 138 97 ARG N N 121.708 0.1 1 491 139 98 ASN H H 8.411 0.01 1 492 139 98 ASN HA H 4.670 0.01 1 493 139 98 ASN HB2 H 2.770 0.01 1 494 139 98 ASN C C 175.700 0.1 1 495 139 98 ASN CA C 53.420 0.1 1 496 139 98 ASN CB C 38.910 0.1 1 497 139 98 ASN N N 119.542 0.1 1 498 140 99 GLY H H 8.415 0.01 1 499 140 99 GLY HA2 H 3.930 0.01 1 500 140 99 GLY C C 174.190 0.1 1 501 140 99 GLY CA C 45.540 0.1 1 502 140 99 GLY N N 109.346 0.1 1 503 141 100 LEU H H 8.014 0.01 1 504 141 100 LEU HA H 4.270 0.01 1 505 141 100 LEU HB2 H 1.540 0.01 1 506 141 100 LEU C C 177.440 0.1 1 507 141 100 LEU CA C 55.230 0.1 1 508 141 100 LEU CB C 42.300 0.1 1 509 141 100 LEU N N 121.110 0.1 1 510 142 101 GLU H H 8.394 0.01 1 511 142 101 GLU HA H 4.150 0.01 1 512 142 101 GLU HB2 H 2.120 0.01 1 513 142 101 GLU C C 176.220 0.1 1 514 142 101 GLU CA C 56.780 0.1 1 515 142 101 GLU CB C 30.010 0.1 1 516 142 101 GLU N N 120.849 0.1 1 stop_ save_