data_16698 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HVS ORF57 8-120 backbone assignment ; _BMRB_accession_number 16698 _BMRB_flat_file_name bmr16698.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 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 501 "13C chemical shifts" 361 "15N chemical shifts" 229 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' 7435 'REF 54-155 with ORF57_8-120' 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 ORF57 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 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_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 . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MASMTGGQQMGRDPGISSDD DFDSSDSSSDEEESDTSPQI MKSDVTMASPPSTPEPSPDV 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 PRO 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 2015-02-05 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]" 83.70 417 100.00 100.00 6.88e-69 EMBL CAC84353 "hypothetical protein [Saimiriine herpesvirus 2]" 83.70 427 98.23 98.23 1.55e-66 EMBL CAC84354 "hypothetical protein [Saimiriine herpesvirus 2]" 64.44 385 97.70 97.70 4.53e-48 GB AAA46125 "transactivator, partial [Saimiriine herpesvirus 2]" 83.70 412 100.00 100.00 4.59e-69 GB AAA66558 "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" 64.44 384 100.00 100.00 1.36e-50 PIR WMBEHA "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" 83.70 417 100.00 100.00 6.88e-69 REF NP_040259 "unnamed protein product [Saimiriine herpesvirus 2]" 83.70 417 100.00 100.00 6.88e-69 SP P13199 "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " 83.70 417 100.00 100.00 6.88e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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 $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' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ORF57_8-120 1 mM '[U-99% 13C; U-99% 15N]' '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_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_CON_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_2D_CaCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CaCO' _Sample_label $sample_1 save_ save_2D_CbCaCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CbCaCO' _Sample_label $sample_1 save_ save_2D_CbCaCO(N)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CbCaCO(N)' _Sample_label $sample_1 save_ save_3D_CbCaCO(N)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CbCaCO(N)' _Sample_label $sample_1 save_ save_3D_CbCaNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CbCaNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citations $citations DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citations $citations 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_Free_ORF57_288k _Saveframe_category assigned_chemical_shifts _Details 'The file contains assignments for ORF57 8-120 free form at 288k' loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D HNCO' '2D CON' '2D CaCO' '2D CbCaCO' '2D CbCaCO(N)' '3D CbCaCO(N)' '3D CbCaNCO' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _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 -4 3 SER HA H 4.570 0.020 1 2 -4 3 SER HB2 H 3.910 0.020 2 3 -4 3 SER C C 174.099 0.100 1 4 -4 3 SER CA C 59.520 0.100 1 5 -4 3 SER CB C 64.980 0.100 1 6 -4 3 SER N N 115.693 0.100 1 7 -3 4 MET H H 8.802 0.020 1 8 -3 4 MET HA H 4.650 0.020 1 9 -3 4 MET HB2 H 2.110 0.020 2 10 -3 4 MET HB3 H 2.160 0.020 2 11 -3 4 MET C C 176.122 0.100 1 12 -3 4 MET CA C 56.860 0.100 1 13 -3 4 MET CB C 34.120 0.100 1 14 -3 4 MET N N 122.862 0.100 1 15 -2 5 THR H H 8.338 0.020 1 16 -2 5 THR HA H 4.440 0.020 1 17 -2 5 THR HB H 4.290 0.020 1 18 -2 5 THR C C 174.739 0.100 1 19 -2 5 THR CA C 63.050 0.100 1 20 -2 5 THR CB C 70.820 0.100 1 21 -2 5 THR N N 114.657 0.100 1 22 -1 6 GLY H H 8.568 0.020 1 23 -1 6 GLY HA2 H 4.040 0.020 1 24 -1 6 GLY C C 174.331 0.100 1 25 -1 6 GLY CA C 46.480 0.100 1 26 -1 6 GLY N N 111.288 0.100 1 27 0 7 GLY H H 8.398 0.020 1 28 0 7 GLY HA2 H 4.010 0.020 1 29 0 7 GLY C C 173.876 0.100 1 30 0 7 GLY CA C 46.340 0.100 1 31 0 7 GLY N N 108.556 0.100 1 32 1 8 GLN H H 8.416 0.020 1 33 1 8 GLN HA H 4.350 0.020 1 34 1 8 GLN HB2 H 2.040 0.020 2 35 1 8 GLN HB3 H 2.140 0.020 2 36 1 8 GLN C C 175.649 0.100 1 37 1 8 GLN CA C 57.050 0.100 1 38 1 8 GLN CB C 30.500 0.100 1 39 1 8 GLN N N 119.713 0.100 1 40 2 9 GLN H H 8.629 0.020 1 41 2 9 GLN HA H 4.350 0.020 1 42 2 9 GLN HB2 H 2.030 0.020 2 43 2 9 GLN HB3 H 2.150 0.020 2 44 2 9 GLN C C 175.601 0.100 1 45 2 9 GLN CA C 57.090 0.100 1 46 2 9 GLN CB C 30.500 0.100 1 47 2 9 GLN N N 121.537 0.100 1 48 3 10 MET H H 8.568 0.020 1 49 3 10 MET HA H 4.520 0.020 1 50 3 10 MET HB2 H 2.040 0.020 2 51 3 10 MET HB3 H 2.120 0.020 2 52 3 10 MET C C 176.304 0.100 1 53 3 10 MET CA C 56.880 0.100 1 54 3 10 MET CB C 33.980 0.100 1 55 3 10 MET N N 121.708 0.100 1 56 4 11 GLY H H 8.560 0.020 1 57 4 11 GLY HA2 H 3.990 0.020 1 58 4 11 GLY C C 173.281 0.100 1 59 4 11 GLY CA C 46.280 0.100 1 60 4 11 GLY N N 110.174 0.100 1 61 5 12 ARG H H 8.214 0.020 1 62 5 12 ARG HA H 4.380 0.020 1 63 5 12 ARG HB2 H 1.750 0.020 2 64 5 12 ARG HB3 H 1.860 0.020 2 65 5 12 ARG C C 175.341 0.100 1 66 5 12 ARG CA C 56.930 0.100 1 67 5 12 ARG CB C 32.280 0.100 1 68 5 12 ARG N N 120.197 0.100 1 69 6 13 ASP H H 8.596 0.020 1 70 6 13 ASP HA H 4.890 0.020 1 71 6 13 ASP HB2 H 2.590 0.020 2 72 6 13 ASP HB3 H 2.800 0.020 2 73 6 13 ASP C C 174.405 0.100 1 74 6 13 ASP CA C 53.320 0.100 1 75 6 13 ASP CB C 42.400 0.100 1 76 6 13 ASP N N 123.858 0.100 1 77 7 14 PRO HA H 4.460 0.020 1 78 7 14 PRO HB2 H 2.020 0.020 2 79 7 14 PRO HB3 H 2.310 0.020 2 80 7 14 PRO C C 177.060 0.100 1 81 7 14 PRO CA C 64.780 0.100 1 82 7 14 PRO CB C 33.330 0.100 1 83 7 14 PRO N N 136.872 0.100 1 84 8 15 GLY H H 8.660 0.020 1 85 8 15 GLY HA2 H 3.990 0.020 1 86 8 15 GLY HA3 H 3.920 0.020 2 87 8 15 GLY C C 173.619 0.100 1 88 8 15 GLY CA C 46.350 0.100 1 89 8 15 GLY N N 108.388 0.100 1 90 9 16 ILE H H 7.899 0.020 1 91 9 16 ILE HA H 4.290 0.020 1 92 9 16 ILE HB H 1.930 0.020 1 93 9 16 ILE C C 175.821 0.100 1 94 9 16 ILE CA C 62.010 0.100 1 95 9 16 ILE CB C 40.010 0.100 1 96 9 16 ILE N N 119.562 0.100 1 97 10 17 SER H H 8.562 0.020 1 98 10 17 SER HA H 4.570 0.020 1 99 10 17 SER HB2 H 3.910 0.020 2 100 10 17 SER C C 174.093 0.100 1 101 10 17 SER CA C 59.300 0.100 1 102 10 17 SER CB C 65.180 0.100 1 103 10 17 SER N N 120.154 0.100 1 104 11 18 SER H H 8.570 0.020 1 105 11 18 SER HA H 4.520 0.020 1 106 11 18 SER HB2 H 3.900 0.020 2 107 11 18 SER C C 173.978 0.100 1 108 11 18 SER CA C 59.490 0.100 1 109 11 18 SER CB C 65.220 0.100 1 110 11 18 SER N N 118.250 0.100 1 111 12 19 ASP H H 8.506 0.020 1 112 12 19 ASP HA H 4.630 0.020 1 113 12 19 ASP HB2 H 2.760 0.020 2 114 12 19 ASP C C 175.612 0.100 1 115 12 19 ASP CA C 55.870 0.100 1 116 12 19 ASP CB C 42.150 0.100 1 117 12 19 ASP N N 122.265 0.100 1 118 13 20 ASP H H 8.242 0.020 1 119 13 20 ASP HA H 4.600 0.020 1 120 13 20 ASP HB2 H 2.620 0.020 2 121 13 20 ASP C C 175.455 0.100 1 122 13 20 ASP CA C 55.710 0.100 1 123 13 20 ASP CB C 42.270 0.100 1 124 13 20 ASP N N 119.870 0.100 1 125 14 21 ASP H H 8.230 0.020 1 126 14 21 ASP HA H 4.620 0.020 1 127 14 21 ASP HB2 H 2.590 0.020 2 128 14 21 ASP HB3 H 2.650 0.020 2 129 14 21 ASP C C 175.545 0.100 1 130 14 21 ASP CA C 55.550 0.100 1 131 14 21 ASP CB C 42.270 0.100 1 132 14 21 ASP N N 120.074 0.100 1 133 15 22 PHE H H 8.149 0.020 1 134 15 22 PHE HA H 4.580 0.020 1 135 15 22 PHE HB2 H 3.090 0.020 2 136 15 22 PHE HB3 H 3.160 0.020 2 137 15 22 PHE C C 174.994 0.100 1 138 15 22 PHE CA C 59.230 0.100 1 139 15 22 PHE CB C 40.700 0.100 1 140 15 22 PHE N N 120.277 0.100 1 141 16 23 ASP H H 8.411 0.020 1 142 16 23 ASP HA H 4.660 0.020 1 143 16 23 ASP HB2 H 2.610 0.020 2 144 16 23 ASP HB3 H 2.750 0.020 2 145 16 23 ASP C C 175.680 0.100 1 146 16 23 ASP CA C 55.430 0.100 1 147 16 23 ASP CB C 42.460 0.100 1 148 16 23 ASP N N 122.044 0.100 1 149 17 24 SER H H 8.352 0.020 1 150 17 24 SER HA H 4.510 0.020 1 151 17 24 SER HB2 H 3.900 0.020 2 152 17 24 SER HB3 H 3.950 0.020 2 153 17 24 SER C C 174.500 0.100 1 154 17 24 SER CA C 59.730 0.100 1 155 17 24 SER CB C 65.010 0.100 1 156 17 24 SER N N 117.215 0.100 1 157 18 25 SER H H 8.512 0.020 1 158 18 25 SER HA H 4.450 0.020 1 159 18 25 SER HB2 H 3.940 0.020 2 160 18 25 SER C C 173.940 0.100 1 161 18 25 SER CA C 60.210 0.100 1 162 18 25 SER CB C 65.100 0.100 1 163 18 25 SER N N 118.004 0.100 1 164 19 26 ASP H H 8.425 0.020 1 165 19 26 ASP HA H 4.710 0.020 1 166 19 26 ASP HB2 H 2.680 0.020 2 167 19 26 ASP HB3 H 2.760 0.020 2 168 19 26 ASP C C 175.885 0.100 1 169 19 26 ASP CA C 55.470 0.100 1 170 19 26 ASP CB C 42.410 0.100 1 171 19 26 ASP N N 122.200 0.100 1 172 20 27 SER H H 8.366 0.020 1 173 20 27 SER HA H 4.510 0.020 1 174 20 27 SER HB2 H 3.890 0.020 2 175 20 27 SER HB3 H 3.950 0.020 2 176 20 27 SER C C 174.340 0.100 1 177 20 27 SER CA C 59.730 0.100 1 178 20 27 SER CB C 65.010 0.100 1 179 20 27 SER N N 116.375 0.100 1 180 21 28 SER H H 8.516 0.020 1 181 21 28 SER HA H 4.540 0.020 1 182 21 28 SER HB2 H 3.930 0.020 2 183 21 28 SER C C 174.252 0.100 1 184 21 28 SER CA C 59.770 0.100 1 185 21 28 SER CB C 65.010 0.100 1 186 21 28 SER N N 118.021 0.100 1 187 22 29 SER H H 8.466 0.020 1 188 22 29 SER HA H 4.540 0.020 1 189 22 29 SER HB2 H 3.920 0.020 2 190 22 29 SER C C 173.880 0.100 1 191 22 29 SER CA C 59.610 0.100 1 192 22 29 SER CB C 65.180 0.100 1 193 22 29 SER N N 117.547 0.100 1 194 23 30 ASP H H 8.458 0.020 1 195 23 30 ASP HA H 4.670 0.020 1 196 23 30 ASP HB2 H 2.660 0.020 2 197 23 30 ASP HB3 H 2.760 0.020 2 198 23 30 ASP C C 175.863 0.100 1 199 23 30 ASP CA C 55.730 0.100 1 200 23 30 ASP CB C 42.240 0.100 1 201 23 30 ASP N N 122.400 0.100 1 202 24 31 GLU H H 8.386 0.020 1 203 24 31 GLU HA H 4.310 0.020 1 204 24 31 GLU HB2 H 1.960 0.020 2 205 24 31 GLU HB3 H 2.090 0.020 2 206 24 31 GLU C C 176.090 0.100 1 207 24 31 GLU CA C 57.630 0.100 1 208 24 31 GLU CB C 31.660 0.100 1 209 24 31 GLU N N 120.578 0.100 1 210 25 32 GLU H H 8.496 0.020 1 211 25 32 GLU HA H 4.310 0.020 1 212 25 32 GLU HB2 H 1.950 0.020 2 213 25 32 GLU HB3 H 2.090 0.020 2 214 25 32 GLU C C 176.120 0.100 1 215 25 32 GLU CA C 57.630 0.100 1 216 25 32 GLU CB C 31.660 0.100 1 217 25 32 GLU N N 121.800 0.100 1 218 26 33 GLU H H 8.478 0.020 1 219 26 33 GLU HA H 4.350 0.020 1 220 26 33 GLU HB2 H 1.980 0.020 2 221 26 33 GLU HB3 H 2.090 0.020 2 222 26 33 GLU C C 176.100 0.100 1 223 26 33 GLU CA C 57.710 0.100 1 224 26 33 GLU CB C 31.340 0.100 1 225 26 33 GLU N N 121.713 0.100 1 226 27 34 SER H H 8.495 0.020 1 227 27 34 SER HA H 4.490 0.020 1 228 27 34 SER HB2 H 3.890 0.020 2 229 27 34 SER C C 173.690 0.100 1 230 27 34 SER CA C 59.470 0.100 1 231 27 34 SER CB C 65.180 0.100 1 232 27 34 SER N N 117.100 0.100 1 233 28 35 ASP H H 8.512 0.020 1 234 28 35 ASP HA H 4.740 0.020 1 235 28 35 ASP HB2 H 2.740 0.020 2 236 28 35 ASP C C 176.104 0.100 1 237 28 35 ASP CA C 55.690 0.100 1 238 28 35 ASP CB C 42.290 0.100 1 239 28 35 ASP N N 122.522 0.100 1 240 29 36 THR H H 8.216 0.020 1 241 29 36 THR HA H 4.350 0.020 1 242 29 36 THR HB H 4.350 0.020 1 243 29 36 THR C C 174.206 0.100 1 244 29 36 THR CA C 62.930 0.100 1 245 29 36 THR CB C 70.810 0.100 1 246 29 36 THR N N 113.703 0.100 1 247 30 37 SER H H 8.396 0.020 1 248 30 37 SER HA H 4.760 0.020 1 249 30 37 SER HB2 H 3.930 0.020 2 250 30 37 SER C C 172.226 0.100 1 251 30 37 SER CA C 58.220 0.100 1 252 30 37 SER CB C 64.250 0.100 1 253 30 37 SER N N 119.680 0.100 1 254 31 38 PRO HA H 4.470 0.020 1 255 31 38 PRO HB2 H 2.320 0.020 2 256 31 38 PRO C C 176.469 0.100 1 257 31 38 PRO CA C 64.520 0.100 1 258 31 38 PRO CB C 33.130 0.100 1 259 31 38 PRO N N 137.669 0.100 1 260 32 39 GLN H H 8.553 0.020 1 261 32 39 GLN HA H 4.330 0.020 1 262 32 39 GLN HB2 H 2.010 0.020 2 263 32 39 GLN HB3 H 2.100 0.020 2 264 32 39 GLN C C 175.547 0.100 1 265 32 39 GLN CA C 57.010 0.100 1 266 32 39 GLN CB C 30.580 0.100 1 267 32 39 GLN N N 120.438 0.100 1 268 33 40 ILE H H 8.255 0.020 1 269 33 40 ILE HA H 4.170 0.020 1 270 33 40 ILE HB H 1.880 0.020 1 271 33 40 ILE C C 175.732 0.100 1 272 33 40 ILE CA C 62.150 0.100 1 273 33 40 ILE CB C 39.600 0.100 1 274 33 40 ILE N N 122.366 0.100 1 275 34 41 MET H H 8.562 0.020 1 276 34 41 MET HA H 4.540 0.020 1 277 34 41 MET HB2 H 2.060 0.020 2 278 34 41 MET C C 175.595 0.100 1 279 34 41 MET CA C 56.360 0.100 1 280 34 41 MET CB C 33.860 0.100 1 281 34 41 MET N N 124.836 0.100 1 282 35 42 LYS H H 8.490 0.020 1 283 35 42 LYS HA H 4.340 0.020 1 284 35 42 LYS HB2 H 1.800 0.020 2 285 35 42 LYS HB3 H 1.860 0.020 2 286 35 42 LYS C C 176.038 0.100 1 287 35 42 LYS CA C 57.620 0.100 1 288 35 42 LYS CB C 34.290 0.100 1 289 35 42 LYS N N 123.448 0.100 1 290 36 43 SER H H 8.466 0.020 1 291 36 43 SER HA H 4.490 0.020 1 292 36 43 SER HB2 H 3.890 0.020 2 293 36 43 SER C C 173.906 0.100 1 294 36 43 SER CA C 59.760 0.100 1 295 36 43 SER CB C 65.340 0.100 1 296 36 43 SER N N 116.971 0.100 1 297 37 44 ASP H H 8.590 0.020 1 298 37 44 ASP HA H 4.690 0.020 1 299 37 44 ASP HB2 H 2.700 0.020 2 300 37 44 ASP HB3 H 2.750 0.020 2 301 37 44 ASP C C 176.014 0.100 1 302 37 44 ASP CA C 55.540 0.100 1 303 37 44 ASP CB C 42.220 0.100 1 304 37 44 ASP N N 122.398 0.100 1 305 38 45 VAL H H 8.184 0.020 1 306 38 45 VAL HA H 4.220 0.020 1 307 38 45 VAL HB H 2.180 0.020 1 308 38 45 VAL C C 176.089 0.100 1 309 38 45 VAL CA C 63.640 0.100 1 310 38 45 VAL CB C 33.580 0.100 1 311 38 45 VAL N N 119.791 0.100 1 312 39 46 THR H H 8.380 0.020 1 313 39 46 THR HA H 4.350 0.020 1 314 39 46 THR HB H 4.220 0.020 1 315 39 46 THR C C 174.090 0.100 1 316 39 46 THR CA C 63.550 0.100 1 317 39 46 THR CB C 70.890 0.100 1 318 39 46 THR N N 117.650 0.100 1 319 40 47 MET H H 8.390 0.020 1 320 40 47 MET HA H 4.520 0.020 1 321 40 47 MET HB2 H 2.040 0.020 2 322 40 47 MET HB3 H 2.130 0.020 2 323 40 47 MET C C 175.173 0.100 1 324 40 47 MET CA C 56.400 0.100 1 325 40 47 MET CB C 34.100 0.100 1 326 40 47 MET N N 122.900 0.100 1 327 41 48 ALA H H 8.375 0.020 1 328 41 48 ALA HA H 4.380 0.020 1 329 41 48 ALA HB H 1.410 0.020 1 330 41 48 ALA C C 177.047 0.100 1 331 41 48 ALA CA C 53.550 0.100 1 332 41 48 ALA CB C 20.410 0.100 1 333 41 48 ALA N N 125.384 0.100 1 334 42 49 SER H H 8.401 0.020 1 335 42 49 SER HA H 4.770 0.020 1 336 42 49 SER HB2 H 3.880 0.020 2 337 42 49 SER C C 171.477 0.100 1 338 42 49 SER CA C 57.780 0.100 1 339 42 49 SER CB C 64.250 0.100 1 340 42 49 SER N N 116.807 0.100 1 341 43 50 PRO C C 174.270 0.100 1 342 43 50 PRO CA C 62.630 0.100 1 343 43 50 PRO CB C 31.830 0.100 1 344 43 50 PRO N N 138.990 0.100 1 345 44 51 PRO HA H 4.510 0.020 1 346 44 51 PRO HB2 H 1.990 0.020 2 347 44 51 PRO HB3 H 2.350 0.020 2 348 44 51 PRO C C 176.466 0.100 1 349 44 51 PRO CA C 64.030 0.100 1 350 44 51 PRO CB C 33.120 0.100 1 351 44 51 PRO N N 135.608 0.100 1 352 45 52 SER H H 8.558 0.020 1 353 45 52 SER HA H 4.500 0.020 1 354 45 52 SER HB2 H 3.900 0.020 2 355 45 52 SER C C 173.916 0.100 1 356 45 52 SER CA C 59.550 0.100 1 357 45 52 SER CB C 64.910 0.100 1 358 45 52 SER N N 116.246 0.100 1 359 46 53 THR H H 8.286 0.020 1 360 46 53 THR HA H 4.660 0.020 1 361 46 53 THR HB H 4.190 0.020 1 362 46 53 THR C C 172.209 0.100 1 363 46 53 THR CA C 60.810 0.100 1 364 46 53 THR CB C 70.930 0.100 1 365 46 53 THR N N 118.154 0.100 1 366 47 54 PRO HA H 4.460 0.020 1 367 47 54 PRO HB2 H 1.910 0.020 2 368 47 54 PRO HB3 H 2.320 0.020 2 369 47 54 PRO C C 176.238 0.100 1 370 47 54 PRO CA C 64.130 0.100 1 371 47 54 PRO CB C 33.010 0.100 1 372 47 54 PRO N N 138.494 0.100 1 373 48 55 GLU H H 8.590 0.020 1 374 48 55 GLU HA H 4.560 0.020 1 375 48 55 GLU HB2 H 1.940 0.020 2 376 48 55 GLU HB3 H 2.370 0.020 2 377 48 55 GLU C C 174.125 0.100 1 378 48 55 GLU CA C 55.670 0.100 1 379 48 55 GLU CB C 30.660 0.100 1 380 48 55 GLU N N 122.827 0.100 1 381 49 56 PRO HA H 4.470 0.020 1 382 49 56 PRO HB2 H 1.930 0.020 2 383 49 56 PRO HB3 H 2.310 0.020 2 384 49 56 PRO C C 176.227 0.100 1 385 49 56 PRO CA C 63.970 0.100 1 386 49 56 PRO CB C 33.230 0.100 1 387 49 56 PRO N N 137.222 0.100 1 388 50 57 SER H H 8.597 0.020 1 389 50 57 SER HA H 4.780 0.020 1 390 50 57 SER HB2 H 3.930 0.020 2 391 50 57 SER C C 172.691 0.100 1 392 50 57 SER CA C 57.530 0.100 1 393 50 57 SER CB C 64.450 0.100 1 394 50 57 SER N N 117.643 0.100 1 395 51 58 PRO HA H 4.470 0.020 1 396 51 58 PRO HB2 H 1.950 0.020 2 397 51 58 PRO HB3 H 2.310 0.020 2 398 51 58 PRO C C 176.128 0.100 1 399 51 58 PRO CA C 64.410 0.100 1 400 51 58 PRO CB C 33.170 0.100 1 401 51 58 PRO N N 137.659 0.100 1 402 52 59 ASP H H 8.458 0.020 1 403 52 59 ASP HA H 4.640 0.020 1 404 52 59 ASP HB2 H 2.620 0.020 2 405 52 59 ASP HB3 H 2.770 0.020 2 406 52 59 ASP C C 176.288 0.100 1 407 52 59 ASP CA C 55.510 0.100 1 408 52 59 ASP CB C 42.070 0.100 1 409 52 59 ASP N N 120.013 0.100 1 410 53 60 VAL H H 8.193 0.020 1 411 53 60 VAL HA H 4.220 0.020 1 412 53 60 VAL HB H 2.220 0.020 1 413 53 60 VAL C C 176.169 0.100 1 414 53 60 VAL CA C 63.650 0.100 1 415 53 60 VAL CB C 33.390 0.100 1 416 53 60 VAL N N 120.519 0.100 1 417 54 61 SER H H 8.481 0.020 1 418 54 61 SER HA H 4.450 0.020 1 419 54 61 SER HB2 H 3.940 0.020 2 420 54 61 SER C C 174.244 0.100 1 421 54 61 SER CA C 59.800 0.100 1 422 54 61 SER CB C 64.860 0.100 1 423 54 61 SER N N 118.859 0.100 1 424 55 62 ALA H H 8.377 0.020 1 425 55 62 ALA HA H 4.390 0.020 1 426 55 62 ALA HB H 1.470 0.020 1 427 55 62 ALA C C 177.674 0.100 1 428 55 62 ALA CA C 54.190 0.100 1 429 55 62 ALA CB C 20.160 0.100 1 430 55 62 ALA N N 125.609 0.100 1 431 56 63 SER H H 8.349 0.020 1 432 56 63 SER HA H 4.520 0.020 1 433 56 63 SER HB2 H 3.960 0.020 2 434 56 63 SER C C 174.912 0.100 1 435 56 63 SER CA C 59.880 0.100 1 436 56 63 SER CB C 64.770 0.100 1 437 56 63 SER N N 114.367 0.100 1 438 57 64 THR H H 8.221 0.020 1 439 57 64 THR HA H 4.390 0.020 1 440 57 64 THR HG2 H 1.270 0.020 1 441 57 64 THR C C 174.587 0.100 1 442 57 64 THR CA C 63.640 0.100 1 443 57 64 THR CB C 70.530 0.100 1 444 57 64 THR N N 115.198 0.100 1 445 58 65 SER H H 8.329 0.020 1 446 58 65 SER HA H 4.450 0.020 1 447 58 65 SER HB2 H 3.920 0.020 2 448 58 65 SER C C 174.158 0.100 1 449 58 65 SER CA C 60.090 0.100 1 450 58 65 SER CB C 64.840 0.100 1 451 58 65 SER N N 117.482 0.100 1 452 59 66 ASN H H 8.527 0.020 1 453 59 66 ASN HA H 4.720 0.020 1 454 59 66 ASN HB2 H 2.800 0.020 2 455 59 66 ASN HB3 H 2.880 0.020 2 456 59 66 ASN C C 174.958 0.100 1 457 59 66 ASN CA C 54.750 0.100 1 458 59 66 ASN CB C 39.770 0.100 1 459 59 66 ASN N N 120.659 0.100 1 460 60 67 LEU H H 8.151 0.020 1 461 60 67 LEU HA H 4.290 0.020 1 462 60 67 LEU HB2 H 1.600 0.020 2 463 60 67 LEU HB3 H 1.680 0.020 2 464 60 67 LEU C C 177.148 0.100 1 465 60 67 LEU CA C 56.860 0.100 1 466 60 67 LEU CB C 43.290 0.100 1 467 60 67 LEU N N 121.685 0.100 1 468 61 68 LYS H H 8.298 0.020 1 469 61 68 LYS HA H 4.290 0.020 1 470 61 68 LYS HB2 H 1.850 0.020 2 471 61 68 LYS C C 176.360 0.100 1 472 61 68 LYS CA C 57.870 0.100 1 473 61 68 LYS CB C 33.640 0.100 1 474 61 68 LYS N N 121.261 0.100 1 475 62 69 ARG H H 8.305 0.020 1 476 62 69 ARG HA H 4.310 0.020 1 477 62 69 ARG HB2 H 1.930 0.020 2 478 62 69 ARG HB3 H 2.090 0.020 2 479 62 69 ARG C C 175.990 0.100 1 480 62 69 ARG CA C 57.700 0.100 1 481 62 69 ARG CB C 31.620 0.100 1 482 62 69 ARG N N 121.773 0.100 1 483 63 70 GLU H H 8.470 0.020 1 484 63 70 GLU HA H 4.350 0.020 1 485 63 70 GLU HB2 H 2.040 0.020 2 486 63 70 GLU HB3 H 2.140 0.020 2 487 63 70 GLU C C 175.490 0.100 1 488 63 70 GLU CA C 57.170 0.100 1 489 63 70 GLU CB C 30.410 0.100 1 490 63 70 GLU N N 121.319 0.100 1 491 64 71 ARG H H 8.501 0.020 1 492 64 71 ARG HA H 4.320 0.020 1 493 64 71 ARG HB2 H 1.840 0.020 2 494 64 71 ARG C C 176.170 0.100 1 495 64 71 ARG CA C 57.580 0.100 1 496 64 71 ARG CB C 31.700 0.100 1 497 64 71 ARG N N 122.483 0.100 1 498 65 72 GLN H H 8.533 0.020 1 499 65 72 GLN HA H 4.310 0.020 1 500 65 72 GLN HB2 H 1.990 0.020 2 501 65 72 GLN HB3 H 2.080 0.020 2 502 65 72 GLN C C 176.167 0.100 1 503 65 72 GLN CA C 57.700 0.100 1 504 65 72 GLN CB C 31.660 0.100 1 505 65 72 GLN N N 121.800 0.100 1 506 66 73 ARG H H 8.575 0.020 1 507 66 73 ARG HA H 4.410 0.020 1 508 66 73 ARG HB2 H 1.800 0.020 2 509 66 73 ARG HB3 H 1.910 0.020 2 510 66 73 ARG C C 176.047 0.100 1 511 66 73 ARG CA C 57.540 0.100 1 512 66 73 ARG CB C 31.660 0.100 1 513 66 73 ARG N N 122.230 0.100 1 514 67 74 SER H H 8.433 0.020 1 515 67 74 SER HA H 4.520 0.020 1 516 67 74 SER HB2 H 3.930 0.020 2 517 67 74 SER C C 174.090 0.100 1 518 67 74 SER CA C 59.690 0.100 1 519 67 74 SER N N 116.326 0.100 1 520 68 75 PRO HA H 4.420 0.020 1 521 68 75 PRO HB2 H 1.890 0.020 2 522 68 75 PRO HB3 H 2.280 0.020 2 523 68 75 PRO C C 176.290 0.100 1 524 68 75 PRO CA C 64.480 0.100 1 525 68 75 PRO CB C 33.120 0.100 1 526 69 76 ILE H H 8.260 0.020 1 527 69 76 ILE HA H 4.110 0.020 1 528 69 76 ILE HB H 1.760 0.020 1 529 69 76 ILE C C 175.990 0.100 1 530 69 76 ILE CA C 62.450 0.100 1 531 69 76 ILE CB C 39.450 0.100 1 532 69 76 ILE N N 120.600 0.100 1 533 70 77 THR H H 8.080 0.020 1 534 70 77 THR HA H 4.560 0.020 1 535 70 77 THR HB H 4.210 0.020 1 536 70 77 THR C C 173.790 0.100 1 537 70 77 THR CA C 62.690 0.100 1 538 70 77 THR CB C 71.090 0.100 1 539 70 77 THR N N 117.400 0.100 1 540 71 78 TRP H H 8.179 0.020 1 541 71 78 TRP HA H 4.700 0.020 1 542 71 78 TRP HB2 H 3.260 0.020 2 543 71 78 TRP C C 175.790 0.100 1 544 71 78 TRP CA C 58.490 0.100 1 545 71 78 TRP CB C 30.690 0.100 1 546 71 78 TRP N N 122.800 0.100 1 547 72 79 GLU H H 8.383 0.020 1 548 72 79 GLU HA H 4.180 0.020 1 549 72 79 GLU HB2 H 1.820 0.020 2 550 72 79 GLU HB3 H 1.960 0.020 2 551 72 79 GLU C C 176.090 0.100 1 552 72 79 GLU CA C 57.940 0.100 1 553 72 79 GLU CB C 31.230 0.100 1 554 72 79 GLU N N 121.700 0.100 1 555 73 80 HIS H H 8.310 0.020 1 556 73 80 HIS HA H 4.440 0.020 1 557 73 80 HIS HB2 H 3.080 0.020 2 558 73 80 HIS C C 174.318 0.100 1 559 73 80 HIS CA C 57.290 0.100 1 560 73 80 HIS CB C 31.310 0.100 1 561 73 80 HIS N N 119.100 0.100 1 562 74 81 GLN H H 8.480 0.020 1 563 74 81 GLN HA H 4.350 0.020 1 564 74 81 GLN HB2 H 2.020 0.020 2 565 74 81 GLN HB3 H 2.420 0.020 2 566 74 81 GLN C C 176.050 0.100 1 567 74 81 GLN CA C 57.590 0.100 1 568 74 81 GLN CB C 31.630 0.100 1 569 74 81 GLN N N 120.253 0.100 1 570 75 82 SER H H 8.440 0.020 1 571 75 82 SER N N 116.865 0.100 1 572 76 83 PRO HA H 4.400 0.020 1 573 76 83 PRO HB2 H 2.260 0.020 2 574 76 83 PRO C C 175.290 0.100 1 575 76 83 PRO CA C 64.540 0.100 1 576 76 83 PRO CB C 33.090 0.100 1 577 77 84 LEU H H 8.197 0.020 1 578 77 84 LEU HA H 4.390 0.020 1 579 77 84 LEU C C 177.190 0.100 1 580 77 84 LEU CA C 56.590 0.100 1 581 77 84 LEU CB C 43.040 0.100 1 582 77 84 LEU N N 115.600 0.100 1 583 78 85 SER H H 8.152 0.020 1 584 78 85 SER HA H 4.430 0.020 1 585 78 85 SER HB2 H 3.910 0.020 2 586 78 85 SER C C 174.090 0.100 1 587 78 85 SER CA C 59.740 0.100 1 588 78 85 SER CB C 65.020 0.100 1 589 78 85 SER N N 115.500 0.100 1 590 79 86 ARG H H 8.311 0.020 1 591 79 86 ARG HA H 4.200 0.020 1 592 79 86 ARG HB2 H 1.840 0.020 2 593 79 86 ARG C C 178.190 0.100 1 594 79 86 ARG CA C 57.450 0.100 1 595 79 86 ARG CB C 31.310 0.100 1 596 79 86 ARG N N 122.700 0.100 1 597 80 87 VAL H H 8.120 0.020 1 598 80 87 VAL HA H 4.100 0.020 1 599 80 87 VAL HB H 1.760 0.020 1 600 80 87 VAL C C 175.290 0.100 1 601 80 87 VAL CA C 66.290 0.100 1 602 80 87 VAL CB C 31.290 0.100 1 603 80 87 VAL N N 120.600 0.100 1 604 81 88 TYR H H 8.415 0.020 1 605 81 88 TYR HA H 2.990 0.020 1 606 81 88 TYR HB2 H 2.990 0.020 2 607 81 88 TYR C C 174.790 0.100 1 608 81 88 TYR CA C 59.430 0.100 1 609 81 88 TYR CB C 40.110 0.100 1 610 81 88 TYR N N 124.600 0.100 1 611 82 89 ARG H H 8.165 0.020 1 612 82 89 ARG HA H 4.350 0.020 1 613 82 89 ARG HB2 H 1.700 0.020 2 614 82 89 ARG C C 174.790 0.100 1 615 82 89 ARG CA C 56.420 0.100 1 616 82 89 ARG N N 124.000 0.100 1 617 83 90 SER H H 8.447 0.020 1 618 83 90 SER HA H 4.670 0.020 1 619 83 90 SER HB2 H 3.890 0.020 2 620 83 90 SER C C 176.190 0.100 1 621 83 90 SER CA C 57.710 0.100 1 622 83 90 SER N N 119.000 0.100 1 623 84 91 PRO HA H 4.820 0.020 1 624 84 91 PRO HB2 H 2.130 0.020 2 625 84 91 PRO HB3 H 2.420 0.020 2 626 84 91 PRO C C 175.490 0.100 1 627 84 91 PRO CA C 63.620 0.100 1 628 84 91 PRO CB C 35.330 0.100 1 629 85 92 SER H H 8.710 0.020 1 630 85 92 SER HA H 4.750 0.020 1 631 85 92 SER HB2 H 3.950 0.020 2 632 85 92 SER C C 172.990 0.100 1 633 85 92 SER CA C 57.680 0.100 1 634 85 92 SER N N 117.500 0.100 1 635 86 93 PRO HA H 4.820 0.020 1 636 86 93 PRO HB2 H 2.120 0.020 2 637 86 93 PRO C C 175.590 0.100 1 638 86 93 PRO CA C 63.930 0.100 1 639 86 93 PRO CB C 35.440 0.100 1 640 87 94 MET H H 8.859 0.020 1 641 87 94 MET HA H 4.560 0.020 1 642 87 94 MET HB2 H 2.030 0.020 2 643 87 94 MET HB3 H 2.400 0.020 2 644 87 94 MET C C 174.190 0.100 1 645 87 94 MET CA C 56.010 0.100 1 646 87 94 MET N N 123.400 0.100 1 647 88 95 ARG HB2 H 1.690 0.020 2 648 88 95 ARG C C 176.390 0.100 1 649 88 95 ARG CA C 57.290 0.100 1 650 88 95 ARG CB C 31.490 0.100 1 651 89 96 PHE H H 8.401 0.020 1 652 89 96 PHE HA H 4.690 0.020 1 653 89 96 PHE HB2 H 3.040 0.020 2 654 89 96 PHE HB3 H 3.220 0.020 2 655 89 96 PHE C C 175.790 0.100 1 656 89 96 PHE CA C 58.880 0.100 1 657 89 96 PHE CB C 40.730 0.100 1 658 89 96 PHE N N 120.710 0.100 1 659 90 97 GLY H H 8.436 0.020 1 660 90 97 GLY HA2 H 3.990 0.020 1 661 90 97 GLY HA3 H 3.990 0.020 2 662 90 97 GLY C C 173.390 0.100 1 663 90 97 GLY CA C 46.640 0.100 1 664 90 97 GLY N N 109.800 0.100 1 665 91 98 LYS H H 8.192 0.020 1 666 91 98 LYS HA H 4.410 0.020 1 667 91 98 LYS HB2 H 1.810 0.020 2 668 91 98 LYS C C 175.679 0.100 1 669 91 98 LYS CA C 57.290 0.100 1 670 91 98 LYS CB C 32.010 0.100 1 671 91 98 LYS N N 119.400 0.100 1 672 92 99 ARG H H 8.488 0.020 1 673 92 99 ARG C C 172.190 0.100 1 674 92 99 ARG CA C 57.640 0.100 1 675 92 99 ARG N N 118.534 0.100 1 676 93 100 PRO HA H 4.820 0.020 1 677 93 100 PRO HB2 H 2.130 0.020 2 678 93 100 PRO C C 175.590 0.100 1 679 93 100 PRO CA C 64.000 0.100 1 680 93 100 PRO CB C 35.490 0.100 1 681 94 101 ARG H H 8.728 0.020 1 682 94 101 ARG HA H 4.340 0.020 1 683 94 101 ARG HB2 H 1.820 0.020 2 684 94 101 ARG C C 175.890 0.100 1 685 94 101 ARG CA C 57.510 0.100 1 686 94 101 ARG CB C 31.810 0.100 1 687 94 101 ARG N N 121.500 0.100 1 688 95 102 ILE H H 8.381 0.020 1 689 95 102 ILE HA H 4.310 0.020 1 690 95 102 ILE HB H 1.910 0.020 1 691 95 102 ILE C C 175.890 0.100 1 692 95 102 ILE CA C 62.050 0.100 1 693 95 102 ILE CB C 40.460 0.100 1 694 95 102 ILE N N 122.700 0.100 1 695 96 103 SER H H 8.649 0.020 1 696 96 103 SER HA H 4.500 0.020 1 697 96 103 SER HB2 H 3.890 0.020 2 698 96 103 SER C C 174.040 0.100 1 699 96 103 SER CA C 59.440 0.100 1 700 96 103 SER CB C 65.100 0.100 1 701 96 103 SER N N 120.200 0.100 1 702 97 104 SER H H 8.315 0.020 1 703 97 104 SER HA H 4.480 0.020 1 704 97 104 SER HB2 H 3.940 0.020 2 705 97 104 SER C C 175.790 0.100 1 706 97 104 SER CA C 59.390 0.100 1 707 97 104 SER CB C 65.000 0.100 1 708 97 104 SER N N 118.300 0.100 1 709 98 105 ASN H H 8.595 0.020 1 710 98 105 ASN HA H 4.820 0.020 1 711 98 105 ASN HB2 H 2.870 0.020 2 712 98 105 ASN C C 175.042 0.100 1 713 98 105 ASN CA C 54.610 0.100 1 714 98 105 ASN CB C 39.900 0.100 1 715 98 105 ASN N N 120.600 0.100 1 716 99 106 SER H H 8.409 0.020 1 717 99 106 SER HA H 4.540 0.020 1 718 99 106 SER HB2 H 3.940 0.020 2 719 99 106 SER C C 174.636 0.100 1 720 99 106 SER CA C 60.070 0.100 1 721 99 106 SER CB C 64.900 0.100 1 722 99 106 SER N N 115.975 0.100 1 723 100 107 THR H H 8.325 0.020 1 724 100 107 THR HA H 4.360 0.020 1 725 100 107 THR HB H 4.200 0.020 1 726 100 107 THR C C 174.469 0.100 1 727 100 107 THR CA C 63.690 0.100 1 728 100 107 THR CB C 70.890 0.100 1 729 100 107 THR N N 115.409 0.100 1 730 101 108 SER H H 8.388 0.020 1 731 101 108 SER HA H 4.500 0.020 1 732 101 108 SER HB2 H 3.930 0.020 2 733 101 108 SER C C 174.341 0.100 1 734 101 108 SER CA C 59.800 0.100 1 735 101 108 SER CB C 64.860 0.100 1 736 101 108 SER N N 117.997 0.100 1 737 102 109 ARG H H 8.492 0.020 1 738 102 109 ARG HA H 4.350 0.020 1 739 102 109 ARG HB2 H 1.830 0.020 2 740 102 109 ARG HB3 H 1.860 0.020 2 741 102 109 ARG C C 176.040 0.100 1 742 102 109 ARG CA C 57.660 0.100 1 743 102 109 ARG CB C 33.070 0.100 1 744 102 109 ARG N N 122.905 0.100 1 745 103 110 SER H H 8.510 0.020 1 746 103 110 SER HA H 4.480 0.020 1 747 103 110 SER HB2 H 3.930 0.020 2 748 103 110 SER C C 173.935 0.100 1 749 103 110 SER CA C 59.690 0.100 1 750 103 110 SER CB C 64.980 0.100 1 751 103 110 SER N N 117.400 0.100 1 752 104 111 CYS H H 8.586 0.020 1 753 104 111 CYS HA H 4.560 0.020 1 754 104 111 CYS HB2 H 2.990 0.020 2 755 104 111 CYS C C 174.260 0.100 1 756 104 111 CYS CA C 59.720 0.100 1 757 104 111 CYS CB C 29.090 0.100 1 758 104 111 CYS N N 120.596 0.100 1 759 105 112 LYS H H 8.563 0.020 1 760 105 112 LYS HA H 4.390 0.020 1 761 105 112 LYS HB2 H 1.800 0.020 2 762 105 112 LYS HB3 H 1.910 0.020 2 763 105 112 LYS C C 176.390 0.100 1 764 105 112 LYS CA C 57.860 0.100 1 765 105 112 LYS CB C 33.890 0.100 1 766 105 112 LYS N N 123.702 0.100 1 767 106 113 THR H H 8.228 0.020 1 768 106 113 THR HA H 4.190 0.020 1 769 106 113 THR HB H 3.990 0.020 1 770 106 113 THR C C 174.190 0.100 1 771 106 113 THR CA C 63.290 0.100 1 772 106 113 THR CB C 71.090 0.100 1 773 106 113 THR N N 115.200 0.100 1 774 107 114 SER H H 8.750 0.020 1 775 107 114 SER HA H 4.530 0.020 1 776 107 114 SER HB2 H 3.920 0.020 2 777 107 114 SER C C 174.590 0.100 1 778 107 114 SER CA C 59.510 0.100 1 779 107 114 SER CB C 65.570 0.100 1 780 107 114 SER N N 119.500 0.100 1 781 108 115 TRP H H 8.682 0.020 1 782 108 115 TRP HA H 4.520 0.020 1 783 108 115 TRP HB2 H 3.360 0.020 2 784 108 115 TRP C C 176.490 0.100 1 785 108 115 TRP CA C 60.450 0.100 1 786 108 115 TRP CB C 30.130 0.100 1 787 108 115 TRP N N 123.800 0.100 1 788 109 116 ALA H H 8.187 0.020 1 789 109 116 ALA HA H 4.010 0.020 1 790 109 116 ALA HB H 1.300 0.020 1 791 109 116 ALA C C 178.190 0.100 1 792 109 116 ALA CA C 54.970 0.100 1 793 109 116 ALA CB C 19.690 0.100 1 794 109 116 ALA N N 122.200 0.100 1 795 110 117 ASP H H 7.950 0.020 1 796 110 117 ASP HA H 4.510 0.020 1 797 110 117 ASP HB2 H 2.740 0.020 2 798 110 117 ASP C C 176.490 0.100 1 799 110 117 ASP CA C 56.610 0.100 1 800 110 117 ASP CB C 42.060 0.100 1 801 110 117 ASP N N 118.100 0.100 1 802 111 118 ARG H H 8.000 0.020 1 803 111 118 ARG HA H 4.200 0.020 1 804 111 118 ARG HB2 H 1.840 0.020 2 805 111 118 ARG C C 177.190 0.100 1 806 111 118 ARG CA C 58.590 0.100 1 807 111 118 ARG CB C 31.340 0.100 1 808 111 118 ARG N N 120.600 0.100 1 809 112 119 VAL H H 8.090 0.020 1 810 112 119 VAL HA H 3.870 0.020 1 811 112 119 VAL HB H 2.020 0.020 1 812 112 119 VAL C C 176.790 0.100 1 813 112 119 VAL CA C 65.170 0.100 1 814 112 119 VAL CB C 33.070 0.100 1 815 112 119 VAL N N 120.500 0.100 1 816 113 120 ARG H H 8.119 0.020 1 817 113 120 ARG HA H 4.220 0.020 1 818 113 120 ARG HB2 H 1.890 0.020 2 819 113 120 ARG C C 178.090 0.100 1 820 113 120 ARG CA C 58.490 0.100 1 821 113 120 ARG CB C 31.390 0.100 1 822 113 120 ARG N N 123.100 0.100 1 823 114 121 GLU H H 8.390 0.020 1 824 114 121 GLU HA H 4.180 0.020 1 825 114 121 GLU HB2 H 2.040 0.020 2 826 114 121 GLU C C 176.690 0.100 1 827 114 121 GLU CA C 58.570 0.100 1 828 114 121 GLU CB C 31.070 0.100 1 829 114 121 GLU N N 120.824 0.100 1 830 115 122 ALA H H 8.223 0.020 1 831 115 122 ALA HA H 4.250 0.020 1 832 115 122 ALA HB H 1.480 0.020 1 833 115 122 ALA C C 179.090 0.100 1 834 115 122 ALA CA C 55.210 0.100 1 835 115 122 ALA CB C 19.290 0.100 1 836 115 122 ALA N N 123.700 0.100 1 837 116 123 ALA H H 8.080 0.020 1 838 116 123 ALA HA H 4.240 0.020 1 839 116 123 ALA HB H 1.500 0.020 1 840 116 123 ALA C C 178.890 0.100 1 841 116 123 ALA CA C 55.200 0.100 1 842 116 123 ALA CB C 19.340 0.100 1 843 116 123 ALA N N 121.200 0.100 1 844 117 124 ALA H H 8.033 0.020 1 845 117 124 ALA HA H 4.230 0.020 1 846 117 124 ALA HB H 1.500 0.020 1 847 117 124 ALA C C 178.890 0.100 1 848 117 124 ALA CA C 55.100 0.100 1 849 117 124 ALA CB C 19.490 0.100 1 850 117 124 ALA N N 121.500 0.100 1 851 118 125 GLN H H 8.101 0.020 1 852 118 125 GLN HA H 4.200 0.020 1 853 118 125 GLN HB2 H 2.150 0.020 2 854 118 125 GLN C C 176.897 0.100 1 855 118 125 GLN CA C 58.590 0.100 1 856 118 125 GLN CB C 29.790 0.100 1 857 118 125 GLN N N 117.900 0.100 1 858 119 126 ARG H H 8.075 0.020 1 859 119 126 ARG HA H 4.270 0.020 1 860 119 126 ARG HB2 H 1.880 0.020 2 861 119 126 ARG C C 176.890 0.100 1 862 119 126 ARG N N 120.197 0.100 1 863 120 127 ARG HA H 4.240 0.020 1 864 120 127 ARG HB2 H 1.900 0.020 2 865 120 127 ARG C C 176.515 0.100 1 866 120 127 ARG CA C 58.440 0.100 1 867 120 127 ARG CB C 31.460 0.100 1 868 121 128 LEU H H 8.062 0.020 1 869 121 128 LEU C C 177.090 0.100 1 870 121 128 LEU CA C 57.290 0.100 1 871 121 128 LEU N N 121.616 0.100 1 stop_ save_ save_Free_ORF57_303k _Saveframe_category assigned_chemical_shifts _Details 'The file contains assignments for ORF57 8-120 free form at 303k' loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' 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 8.349 0.020 1 6 0 7 GLY N N 108.768 0.100 1 7 1 8 GLN H H 8.341 0.020 1 8 1 8 GLN N N 119.881 0.100 1 9 2 9 GLN H H 8.536 0.020 1 10 2 9 GLN N N 121.532 0.100 1 11 3 10 MET H H 8.458 0.020 1 12 3 10 MET N N 121.735 0.100 1 13 4 11 GLY H H 8.467 0.020 1 14 4 11 GLY N N 110.211 0.100 1 15 5 12 ARG H H 8.135 0.020 1 16 5 12 ARG N N 120.384 0.100 1 17 6 13 ASP H H 8.467 0.020 1 18 6 13 ASP N N 123.823 0.100 1 19 8 15 GLY H H 8.598 0.020 1 20 8 15 GLY N N 108.553 0.100 1 21 9 16 ILE H H 7.829 0.020 1 22 9 16 ILE N N 119.644 0.100 1 23 10 17 SER H H 8.459 0.020 1 24 10 17 SER N N 120.102 0.100 1 25 11 18 SER H H 8.465 0.020 1 26 11 18 SER N N 118.255 0.100 1 27 12 19 ASP H H 8.428 0.020 1 28 12 19 ASP N N 122.433 0.100 1 29 13 20 ASP H H 8.191 0.020 1 30 13 20 ASP N N 120.159 0.100 1 31 14 21 ASP H H 8.18 0.020 1 32 14 21 ASP N N 120.298 0.100 1 33 15 22 PHE H H 8.096 0.020 1 34 15 22 PHE N N 120.482 0.100 1 35 16 23 ASP H H 8.334 0.020 1 36 16 23 ASP N N 122.267 0.100 1 37 17 24 SER H H 8.262 0.020 1 38 17 24 SER N N 117.189 0.100 1 39 18 25 SER H H 8.435 0.020 1 40 18 25 SER N N 118.108 0.100 1 41 19 26 ASP H H 8.361 0.020 1 42 19 26 ASP N N 122.313 0.100 1 43 20 27 SER H H 8.293 0.020 1 44 20 27 SER N N 116.490 0.100 1 45 21 28 SER H H 8.446 0.020 1 46 21 28 SER N N 118.151 0.100 1 47 22 29 SER H H 8.395 0.020 1 48 22 29 SER N N 117.708 0.100 1 49 23 30 ASP H H 8.393 0.020 1 50 23 30 ASP N N 122.585 0.100 1 51 24 31 GLU H H 8.322 0.020 1 52 24 31 GLU N N 120.787 0.100 1 53 25 32 GLU H H 8.4 0.020 1 54 25 32 GLU N N 121.792 0.100 1 55 26 33 GLU H H 8.479 0.020 1 56 26 33 GLU N N 122.304 0.100 1 57 27 34 SER H H 8.383 0.020 1 58 27 34 SER N N 117.037 0.100 1 59 28 35 ASP H H 8.429 0.020 1 60 28 35 ASP N N 122.475 0.100 1 61 29 36 THR H H 8.142 0.020 1 62 29 36 THR N N 113.747 0.100 1 63 30 37 SER H H 8.328 0.020 1 64 30 37 SER N N 119.766 0.100 1 65 32 39 GLN H H 8.451 0.020 1 66 32 39 GLN N N 120.309 0.100 1 67 33 40 ILE H H 8.12 0.020 1 68 33 40 ILE N N 121.995 0.100 1 69 34 41 MET H H 8.443 0.020 1 70 34 41 MET N N 124.587 0.100 1 71 35 42 LYS H H 8.368 0.020 1 72 35 42 LYS N N 123.317 0.100 1 73 36 43 SER H H 8.356 0.020 1 74 36 43 SER N N 116.973 0.100 1 75 37 44 ASP H H 8.504 0.020 1 76 37 44 ASP N N 122.604 0.100 1 77 38 45 VAL H H 8.099 0.020 1 78 38 45 VAL N N 119.680 0.100 1 79 39 46 THR H H 8.286 0.020 1 80 39 46 THR N N 117.502 0.100 1 81 40 47 MET H H 8.287 0.020 1 82 40 47 MET N N 122.862 0.100 1 83 41 48 ALA H H 8.277 0.020 1 84 41 48 ALA N N 125.441 0.100 1 85 42 49 SER H H 8.28 0.020 1 86 42 49 SER N N 116.655 0.100 1 87 45 52 SER H H 8.436 0.020 1 88 45 52 SER N N 116.184 0.100 1 89 46 53 THR H H 8.183 0.020 1 90 46 53 THR N N 118.022 0.100 1 91 48 55 GLU H H 8.463 0.020 1 92 48 55 GLU N N 122.734 0.100 1 93 50 57 SER H H 8.464 0.020 1 94 50 57 SER N N 117.612 0.100 1 95 52 59 ASP H H 8.372 0.020 1 96 52 59 ASP N N 120.001 0.100 1 97 53 60 VAL H H 8.072 0.020 1 98 53 60 VAL N N 120.283 0.100 1 99 54 61 SER H H 8.39 0.020 1 100 54 61 SER N N 118.811 0.100 1 101 55 62 ALA H H 8.287 0.020 1 102 55 62 ALA N N 125.757 0.100 1 103 56 63 SER H H 8.273 0.020 1 104 56 63 SER N N 114.520 0.100 1 105 57 64 THR H H 8.14 0.020 1 106 57 64 THR N N 115.187 0.100 1 107 58 65 SER H H 8.272 0.020 1 108 58 65 SER N N 117.639 0.100 1 109 59 66 ASN H H 8.453 0.020 1 110 59 66 ASN N N 120.681 0.100 1 111 60 67 LEU H H 8.084 0.020 1 112 60 67 LEU N N 121.856 0.100 1 113 61 68 LYS H H 8.225 0.020 1 114 61 68 LYS N N 121.490 0.100 1 115 62 69 ARG H H 8.229 0.020 1 116 62 69 ARG N N 121.749 0.100 1 117 63 70 GLU H H 8.385 0.020 1 118 63 70 GLU N N 121.280 0.100 1 119 64 71 ARG H H 8.402 0.020 1 120 64 71 ARG N N 122.481 0.100 1 121 65 72 GLN H H 8.456 0.020 1 122 65 72 GLN N N 121.744 0.100 1 123 66 73 ARG H H 8.368 0.020 1 124 66 73 ARG N N 121.745 0.100 1 125 67 74 SER H H 8.341 0.020 1 126 67 74 SER N N 116.355 0.100 1 127 69 76 ILE H H 8.144 0.020 1 128 69 76 ILE N N 120.480 0.100 1 129 70 77 THR H H 7.98 0.020 1 130 70 77 THR N N 117.214 0.100 1 131 71 78 TRP H H 8.078 0.020 1 132 71 78 TRP N N 122.933 0.100 1 133 72 79 GLU H H 8.313 0.020 1 134 72 79 GLU N N 121.813 0.100 1 135 73 80 HIS H H 8.267 0.020 1 136 73 80 HIS N N 119.117 0.100 1 137 74 81 GLN H H 8.185 0.020 1 138 74 81 GLN N N 121.832 0.100 1 139 78 85 SER H H 8.078 0.020 1 140 78 85 SER N N 115.623 0.100 1 141 79 86 ARG H H 8.219 0.020 1 142 79 86 ARG N N 122.566 0.100 1 143 80 87 VAL H H 7.96 0.020 1 144 80 87 VAL N N 120.114 0.100 1 145 81 88 TYR H H 8.267 0.020 1 146 81 88 TYR N N 124.295 0.100 1 147 82 89 ARG H H 8.094 0.020 1 148 82 89 ARG N N 123.623 0.100 1 149 83 90 SER H H 8.315 0.020 1 150 83 90 SER N N 118.777 0.100 1 151 85 92 SER H H 8.447 0.020 1 152 85 92 SER N N 118.487 0.100 1 153 87 94 MET H H 8.318 0.020 1 154 87 94 MET N N 119.964 0.100 1 155 88 95 ARG H H 8.184 0.020 1 156 88 95 ARG N N 120.460 0.100 1 157 89 96 PHE H H 8.27 0.020 1 158 89 96 PHE N N 120.639 0.100 1 159 90 97 GLY H H 8.335 0.020 1 160 90 97 GLY N N 109.937 0.100 1 161 91 98 LYS H H 8.19 0.020 1 162 91 98 LYS N N 120.706 0.100 1 163 92 99 ARG H H 8.459 0.020 1 164 92 99 ARG N N 123.873 0.100 1 165 94 101 ARG H H 8.473 0.020 1 166 94 101 ARG N N 121.785 0.100 1 167 95 102 ILE H H 8.238 0.020 1 168 95 102 ILE N N 122.345 0.100 1 169 96 103 SER H H 8.461 0.020 1 170 96 103 SER N N 120.216 0.100 1 171 97 104 SER H H 8.377 0.020 1 172 97 104 SER N N 118.487 0.100 1 173 98 105 ASN H H 8.508 0.020 1 174 98 105 ASN N N 120.733 0.100 1 175 99 106 SER H H 8.347 0.020 1 176 99 106 SER N N 116.458 0.100 1 177 100 107 THR H H 8.247 0.020 1 178 100 107 THR N N 115.495 0.100 1 179 101 108 SER H H 8.319 0.020 1 180 101 108 SER N N 118.148 0.100 1 181 102 109 ARG H H 8.4 0.020 1 182 102 109 ARG N N 123.269 0.100 1 183 103 110 SER H H 8.371 0.020 1 184 103 110 SER N N 117.426 0.100 1 185 104 111 CYS H H 8.305 0.020 1 186 104 111 CYS N N 121.046 0.100 1 187 105 112 LYS H H 8.409 0.020 1 188 105 112 LYS N N 123.467 0.100 1 189 106 113 THR H H 8.118 0.020 1 190 106 113 THR N N 115.060 0.100 1 191 107 114 SER H H 8.544 0.020 1 192 107 114 SER N N 118.992 0.100 1 193 108 115 TRP H H 8.492 0.020 1 194 108 115 TRP N N 123.804 0.100 1 195 109 116 ALA H H 8.128 0.020 1 196 109 116 ALA N N 122.432 0.100 1 197 110 117 ASP H H 7.972 0.020 1 198 110 117 ASP N N 118.298 0.100 1 199 111 118 ARG H H 8.011 0.020 1 200 111 118 ARG N N 120.743 0.100 1 201 112 119 VAL H H 8.036 0.020 1 202 112 119 VAL N N 120.355 0.100 1 203 113 120 ARG H H 8.045 0.020 1 204 113 120 ARG N N 122.719 0.100 1 205 114 121 GLU H H 8.289 0.020 1 206 114 121 GLU N N 120.913 0.100 1 207 115 122 ALA H H 8.167 0.020 1 208 115 122 ALA N N 123.517 0.100 1 209 116 123 ALA H H 8.094 0.020 1 210 116 123 ALA N N 121.663 0.100 1 211 117 124 ALA H H 8.015 0.020 1 212 117 124 ALA N N 121.707 0.100 1 213 118 125 GLN H H 8.077 0.020 1 214 118 125 GLN N N 118.114 0.100 1 215 119 126 ARG H H 8.083 0.020 1 216 119 126 ARG N N 120.534 0.100 1 217 120 127 ARG H H 8.087 0.020 1 218 120 127 ARG N N 122.176 0.100 1 219 122 129 GLU H H 8.116 0.020 1 220 122 129 GLU N N 120.656 0.100 1 stop_ save_