data_16177 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain chemical shift assignments for E73 from SSV-RH ; _BMRB_accession_number 16177 _BMRB_flat_file_name bmr16177.str _Entry_type original _Submission_date 2009-02-18 _Accession_date 2009-02-18 _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 Schlenker Casey J. . 2 Menon Smita K. . 3 Lawrence 'C. Martin' . . 4 Copie Valerie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 386 "13C chemical shifts" 227 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-22 update BMRB 'add related entry loop' 2009-11-13 update BMRB 'complete entry citation' 2009-08-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17069 'Backbone dynamics of E73 from SSV-RH' stop_ save_ ############################# # Citation for this entry # ############################# save_E73_citations _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, (15)N backbone and side chain NMR resonance assignments for E73 from Sulfolobus spindle-shaped virus ragged hills, a hyperthermophilic crenarchaeal virus from Yellowstone National Park.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888695 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schlenker Casey . . 2 Menon Smita . . 3 Lawrence 'C. Martin' . . 4 Copie Valerie . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 219 _Page_last 222 _Year 2009 _Details . loop_ _Keyword Archaea 'Sulfolobus Spindle Virus' 'Sulfolobus sulfataricus' Thermophilic stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E73 Homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E73, chain 1' $E73 'E73, chain 2' $E73 stop_ _System_molecular_weight 19150 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'E73 is a non-covalently assembled homodimer.' save_ ######################## # Monomeric polymers # ######################## save_E73 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E73 _Molecular_mass 9578.2 _Mol_thiol_state 'not present' _Details 'This Molecule exists as a homodimer under NMR conditions.' ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; MHHHHHHMVESKKIAKKKTT LAFDEDVYHTLKLVSVYLNR DMTEIIEEAVVMWLIQNKEK LPNELKPKIDEISKRFFPAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 MET 2 -5 HIS 3 -4 HIS 4 -3 HIS 5 -2 HIS 6 -1 HIS 7 0 HIS 8 1 MET 9 2 VAL 10 3 GLU 11 4 SER 12 5 LYS 13 6 LYS 14 7 ILE 15 8 ALA 16 9 LYS 17 10 LYS 18 11 LYS 19 12 THR 20 13 THR 21 14 LEU 22 15 ALA 23 16 PHE 24 17 ASP 25 18 GLU 26 19 ASP 27 20 VAL 28 21 TYR 29 22 HIS 30 23 THR 31 24 LEU 32 25 LYS 33 26 LEU 34 27 VAL 35 28 SER 36 29 VAL 37 30 TYR 38 31 LEU 39 32 ASN 40 33 ARG 41 34 ASP 42 35 MET 43 36 THR 44 37 GLU 45 38 ILE 46 39 ILE 47 40 GLU 48 41 GLU 49 42 ALA 50 43 VAL 51 44 VAL 52 45 MET 53 46 TRP 54 47 LEU 55 48 ILE 56 49 GLN 57 50 ASN 58 51 LYS 59 52 GLU 60 53 LYS 61 54 LEU 62 55 PRO 63 56 ASN 64 57 GLU 65 58 LEU 66 59 LYS 67 60 PRO 68 61 LYS 69 62 ILE 70 63 ASP 71 64 GLU 72 65 ILE 73 66 SER 74 67 LYS 75 68 ARG 76 69 PHE 77 70 PHE 78 71 PRO 79 72 ALA 80 73 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-05 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 BMRB 17069 E73 100.00 80 100.00 100.00 2.00e-49 BMRB 18132 ORF_E73 91.25 73 100.00 100.00 1.15e-43 PDB 4AAI "Thermostable Protein From Hyperthermophilic Virus Ssv-rh" 88.75 73 100.00 100.00 3.31e-42 GB AAR27912 "ORF E73 [Sulfolobus virus Ragged Hills]" 91.25 73 100.00 100.00 1.15e-43 REF NP_963940 "ORF E73 [Sulfolobus virus Ragged Hills]" 91.25 73 100.00 100.00 1.15e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $E73 'Sulfolobus spindle Virus' 256994 Virus . Sulfolobus "spindle-shaped Virus" 'Ragged Hills' E73 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 $E73 'recombinant technology' . Escherichia coli BL21(DE3) pET14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_E73_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM KPO4, pH 5.0, 10% D20, 1 mM PMSF, 0.01% Na Azide,' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $E73 15 mM '[U-100% 13C; U-100% 15N]' PMSF 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' D2O 10 % 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' ; Bruker BioSpin Corporation 15 Fortune Drive Billerica, MA 01821-3991 ; http://www.bruker-biospin.com/home.html stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; Frank Delaglio, Ph.D. Software Science Consultant 13840 Grey Colt Drive North Potomac MD 20878 USA ; http://www.nmrscience.com/nmrpipe.html stop_ loop_ _Task processing stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Wishart, D.S. and B.D. Sykes' 'University of Alberta' http://www.bionmr.ualberta.ca/bds/software/csi/latest/csi.html stop_ loop_ _Task 'Secondary Structure Information' stop_ _Details 'CSI is used to infer secondary structural elements from chemical shifts' save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address 'T. D. Goddard and D. G. Kneller' 'University of California, San Francisco' http://www.cgl.ucsf.edu/home/sparky/ stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'Sparky is used for NMR chemical shift assignment.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $E73_sample_1 save_ save_3D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $E73_sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $E73_sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $E73_sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $E73_sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $E73_sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $E73_sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $E73_sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $E73_sample_1 save_ ####################### # Sample conditions # ####################### save_E73_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 5.0 . pH pressure 1 . atm temperature 312 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'All chemical shifts were referenced to DSS' 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 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 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_E73_CS_Assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '2D 1H-13C HSQC' '3D HNCA' '3D H(CCO)NH' '3D C(CO)NH' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $E73_sample_1 stop_ _Sample_conditions_label $E73_sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'E73, chain 1' _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 1 8 MET HA H 4.343 0.013 . 2 1 8 MET HB2 H 1.900 0.008 . 3 1 8 MET HG2 H 2.364 0.016 . 4 1 8 MET CA C 55.976 0.084 . 5 1 8 MET CB C 33.446 0.064 . 6 1 8 MET CG C 32.504 0.3 . 7 2 9 VAL H H 8.021 0.014 . 8 2 9 VAL HA H 3.975 0.009 . 9 2 9 VAL HB H 1.938 0.007 . 10 2 9 VAL HG1 H 0.803 0.009 . 11 2 9 VAL CA C 62.802 0.102 . 12 2 9 VAL CB C 33.192 0.076 . 13 2 9 VAL CG1 C 21.239 0.072 . 14 2 9 VAL CG2 C 21.351 0.034 . 15 2 9 VAL N N 121.358 0.127 . 16 3 10 GLU H H 8.353 0.006 . 17 3 10 GLU HA H 4.195 0.016 . 18 3 10 GLU HB2 H 1.888 0.012 . 19 3 10 GLU HG2 H 2.132 0.005 . 20 3 10 GLU CA C 56.968 0.063 . 21 3 10 GLU CB C 30.819 0.106 . 22 3 10 GLU CG C 36.677 0.029 . 23 3 10 GLU N N 124.728 0.114 . 24 4 11 SER H H 8.189 0.009 . 25 4 11 SER HA H 4.284 0.007 . 26 4 11 SER HB2 H 3.741 0.005 . 27 4 11 SER HB3 H 3.742 0.01 . 28 4 11 SER CA C 58.859 0.101 . 29 4 11 SER CB C 64.084 0.337 . 30 4 11 SER N N 117.206 0.056 . 31 5 12 LYS H H 8.119 0.006 . 32 5 12 LYS HA H 3.986 0.01 . 33 5 12 LYS HB2 H 1.679 0.004 . 34 5 12 LYS HD2 H 1.579 0.01 . 35 5 12 LYS HG2 H 1.307 0.01 . 36 5 12 LYS CA C 56.674 0.3 . 37 5 12 LYS CB C 33.415 0.3 . 38 5 12 LYS CD C 29.567 0.094 . 39 5 12 LYS CE C 42.519 0.3 . 40 5 12 LYS CG C 25.121 0.3 . 41 5 12 LYS N N 122.777 0.086 . 42 6 13 LYS H H 8.111 0.007 . 43 6 13 LYS HA H 4.212 0.009 . 44 6 13 LYS HB2 H 1.652 0.002 . 45 6 13 LYS HB3 H 1.830 0.01 . 46 6 13 LYS HD2 H 1.724 0.002 . 47 6 13 LYS HD3 H 1.624 0.005 . 48 6 13 LYS HE2 H 2.863 0.008 . 49 6 13 LYS HG2 H 1.567 0.011 . 50 6 13 LYS HG3 H 1.306 0.007 . 51 6 13 LYS CA C 56.531 0.050 . 52 6 13 LYS CB C 33.430 0.082 . 53 6 13 LYS CD C 29.357 0.007 . 54 6 13 LYS CE C 42.954 0.420 . 55 6 13 LYS CG C 25.166 0.030 . 56 6 13 LYS N N 122.547 0.083 . 57 7 14 ILE H H 7.975 0.004 . 58 7 14 ILE HA H 4.043 0.008 . 59 7 14 ILE HB H 1.704 0.005 . 60 7 14 ILE HD1 H 0.224 0.01 . 61 7 14 ILE HD1 H 0.727 0.008 . 62 7 14 ILE HG12 H 1.386 0.009 . 63 7 14 ILE HG13 H 1.122 0.007 . 64 7 14 ILE HG2 H 0.933 0.008 . 65 7 14 ILE CA C 61.045 0.165 . 66 7 14 ILE CB C 39.221 0.154 . 67 7 14 ILE CD1 C 12.913 0.056 . 68 7 14 ILE CG2 C 18.148 0.081 . 69 7 14 ILE N N 123.836 0.062 . 70 8 15 ALA H H 8.442 0.006 . 71 8 15 ALA HA H 4.264 0.007 . 72 8 15 ALA HB H 1.367 0.004 . 73 8 15 ALA HB H 1.299 0.008 . 74 8 15 ALA CA C 52.668 0.226 . 75 8 15 ALA CB C 20.027 0.102 . 76 8 15 ALA N N 130.325 0.085 . 77 9 16 LYS H H 8.068 0.013 . 78 9 16 LYS HA H 4.779 0.022 . 79 9 16 LYS HB2 H 1.235 0.009 . 80 9 16 LYS HB3 H 1.560 0.010 . 81 9 16 LYS HD2 H 1.458 0.020 . 82 9 16 LYS HE2 H 2.778 0.010 . 83 9 16 LYS HG2 H 1.295 0.005 . 84 9 16 LYS HG3 H 1.059 0.014 . 85 9 16 LYS CA C 54.572 0.073 . 86 9 16 LYS CB C 35.552 0.140 . 87 9 16 LYS CD C 29.479 0.154 . 88 9 16 LYS CE C 42.791 0.3 . 89 9 16 LYS CG C 25.021 0.116 . 90 9 16 LYS N N 117.661 0.042 . 91 10 17 LYS H H 9.150 0.005 . 92 10 17 LYS HA H 4.327 0.014 . 93 10 17 LYS HB2 H 1.173 0.004 . 94 10 17 LYS HB3 H 1.289 0.002 . 95 10 17 LYS HD2 H 1.279 0.002 . 96 10 17 LYS HD3 H 1.165 0.004 . 97 10 17 LYS HE2 H 2.587 0.009 . 98 10 17 LYS HE3 H 2.467 0.01 . 99 10 17 LYS HG2 H 0.595 0.010 . 100 10 17 LYS HG3 H 0.842 0.006 . 101 10 17 LYS CA C 54.457 0.173 . 102 10 17 LYS CB C 34.941 0.096 . 103 10 17 LYS CD C 28.606 0.092 . 104 10 17 LYS CE C 42.348 0.151 . 105 10 17 LYS CG C 24.337 0.065 . 106 10 17 LYS N N 123.396 0.059 . 107 11 18 LYS H H 8.381 0.015 . 108 11 18 LYS HA H 4.771 0.015 . 109 11 18 LYS HB2 H 1.535 0.007 . 110 11 18 LYS HB3 H 1.454 0.006 . 111 11 18 LYS HD2 H 1.238 0.001 . 112 11 18 LYS HD3 H 1.261 0.003 . 113 11 18 LYS HE2 H 2.764 0.007 . 114 11 18 LYS HG2 H 1.091 0.004 . 115 11 18 LYS CA C 56.473 0.078 . 116 11 18 LYS CB C 33.807 0.089 . 117 11 18 LYS CD C 29.303 0.227 . 118 11 18 LYS CE C 42.319 0.060 . 119 11 18 LYS CG C 25.675 0.022 . 120 11 18 LYS N N 125.807 0.180 . 121 12 19 THR H H 8.716 0.022 . 122 12 19 THR HA H 4.491 0.010 . 123 12 19 THR HB H 3.760 0.006 . 124 12 19 THR HG2 H 0.976 0.007 . 125 12 19 THR CA C 61.408 0.135 . 126 12 19 THR CB C 70.848 0.253 . 127 12 19 THR N N 119.245 0.182 . 128 13 20 THR H H 8.187 0.009 . 129 13 20 THR HA H 4.912 0.012 . 130 13 20 THR HB H 3.784 0.012 . 131 13 20 THR HG2 H 0.937 0.015 . 132 13 20 THR CA C 62.590 0.107 . 133 13 20 THR CB C 70.610 0.146 . 134 13 20 THR CG2 C 22.172 0.089 . 135 13 20 THR N N 122.630 0.142 . 136 14 21 LEU H H 8.707 0.005 . 137 14 21 LEU HA H 4.429 0.007 . 138 14 21 LEU HB2 H 1.230 0.009 . 139 14 21 LEU HB3 H 1.284 0.010 . 140 14 21 LEU HD1 H 0.731 0.01 . 141 14 21 LEU HD2 H 0.667 0.007 . 142 14 21 LEU HG H 1.389 0.003 . 143 14 21 LEU CA C 53.835 0.158 . 144 14 21 LEU CB C 45.299 0.186 . 145 14 21 LEU CD1 C 24.946 0.048 . 146 14 21 LEU CG C 27.505 0.222 . 147 14 21 LEU N N 126.794 0.085 . 148 15 22 ALA H H 7.768 0.020 . 149 15 22 ALA HA H 4.834 0.014 . 150 15 22 ALA HB H 0.980 0.008 . 151 15 22 ALA CA C 50.828 0.051 . 152 15 22 ALA CB C 20.869 0.143 . 153 15 22 ALA N N 122.460 0.081 . 154 16 23 PHE H H 8.267 0.008 . 155 16 23 PHE HA H 4.835 0.01 . 156 16 23 PHE HB2 H 3.202 0.003 . 157 16 23 PHE HB3 H 2.639 0.008 . 158 16 23 PHE CA C 55.964 0.054 . 159 16 23 PHE CB C 44.260 0.155 . 160 16 23 PHE N N 120.500 0.054 . 161 17 24 ASP H H 9.562 0.017 . 162 17 24 ASP HA H 4.568 0.018 . 163 17 24 ASP HB2 H 2.791 0.01 . 164 17 24 ASP HB3 H 2.581 0.006 . 165 17 24 ASP CA C 56.474 0.057 . 166 17 24 ASP CB C 42.236 0.131 . 167 17 24 ASP N N 124.606 0.096 . 168 18 25 GLU H H 8.990 0.023 . 169 18 25 GLU HA H 3.742 0.015 . 170 18 25 GLU HB2 H 1.901 0.014 . 171 18 25 GLU HB3 H 1.835 0.008 . 172 18 25 GLU HG2 H 2.221 0.009 . 173 18 25 GLU HG3 H 2.120 0.01 . 174 18 25 GLU CA C 60.959 0.204 . 175 18 25 GLU CB C 30.287 0.139 . 176 18 25 GLU CG C 36.589 0.084 . 177 18 25 GLU N N 123.565 0.067 . 178 19 26 ASP H H 8.334 0.008 . 179 19 26 ASP HA H 4.527 0.011 . 180 19 26 ASP HB2 H 2.694 0.008 . 181 19 26 ASP HB3 H 2.372 0.020 . 182 19 26 ASP CA C 56.926 0.113 . 183 19 26 ASP CB C 39.231 0.085 . 184 19 26 ASP N N 118.092 0.101 . 185 20 27 VAL H H 8.026 0.005 . 186 20 27 VAL HA H 3.275 0.004 . 187 20 27 VAL HB H 2.301 0.001 . 188 20 27 VAL HG1 H 0.947 0.006 . 189 20 27 VAL HG2 H 0.653 0.006 . 190 20 27 VAL CA C 67.607 0.170 . 191 20 27 VAL CB C 32.260 0.073 . 192 20 27 VAL CG1 C 23.800 0.101 . 193 20 27 VAL N N 126.938 0.052 . 194 21 28 TYR H H 8.367 0.008 . 195 21 28 TYR HA H 3.554 0.008 . 196 21 28 TYR HB2 H 2.965 0.003 . 197 21 28 TYR HB3 H 2.736 0.004 . 198 21 28 TYR CA C 63.011 0.166 . 199 21 28 TYR CB C 38.985 0.167 . 200 21 28 TYR N N 118.599 0.076 . 201 22 29 HIS H H 8.851 0.040 . 202 22 29 HIS HA H 4.050 0.011 . 203 22 29 HIS HB2 H 3.369 0.028 . 204 22 29 HIS HB3 H 3.189 0.029 . 205 22 29 HIS CA C 60.312 0.142 . 206 22 29 HIS CB C 30.311 0.094 . 207 22 29 HIS N N 116.358 0.090 . 208 23 30 THR H H 7.870 0.006 . 209 23 30 THR HA H 4.125 0.007 . 210 23 30 THR HB H 3.649 0.027 . 211 23 30 THR CA C 68.442 0.121 . 212 23 30 THR CG2 C 22.108 0.3 . 213 23 30 THR N N 115.251 0.093 . 214 24 31 LEU H H 8.260 0.020 . 215 24 31 LEU HA H 3.734 0.009 . 216 24 31 LEU HB2 H 1.384 0.005 . 217 24 31 LEU HB3 H 1.410 0.010 . 218 24 31 LEU HD1 H 0.768 0.004 . 219 24 31 LEU HD2 H 0.474 0.010 . 220 24 31 LEU CA C 58.398 0.071 . 221 24 31 LEU CB C 42.398 0.052 . 222 24 31 LEU CD1 C 24.419 0.001 . 223 24 31 LEU CG C 24.981 0.3 . 224 24 31 LEU N N 121.640 0.110 . 225 25 32 LYS H H 8.224 0.005 . 226 25 32 LYS HA H 3.742 0.004 . 227 25 32 LYS HB2 H 1.436 0.009 . 228 25 32 LYS HB3 H 1.729 0.008 . 229 25 32 LYS HD2 H 1.479 0.014 . 230 25 32 LYS HE2 H 2.816 0.008 . 231 25 32 LYS HG2 H 1.158 0.008 . 232 25 32 LYS CA C 60.037 0.096 . 233 25 32 LYS CB C 31.717 0.090 . 234 25 32 LYS CD C 29.458 0.022 . 235 25 32 LYS CE C 42.444 0.3 . 236 25 32 LYS CG C 25.034 0.088 . 237 25 32 LYS N N 120.687 0.084 . 238 26 33 LEU H H 7.607 0.009 . 239 26 33 LEU HA H 3.936 0.009 . 240 26 33 LEU HB2 H 1.898 0.012 . 241 26 33 LEU HB3 H 1.373 0.011 . 242 26 33 LEU HD1 H 0.756 0.005 . 243 26 33 LEU HG H 1.598 0.012 . 244 26 33 LEU CA C 58.553 0.137 . 245 26 33 LEU CB C 42.463 0.057 . 246 26 33 LEU CD1 C 23.062 0.040 . 247 26 33 LEU CG C 25.773 0.031 . 248 26 33 LEU N N 119.051 0.051 . 249 27 34 VAL H H 8.411 0.017 . 250 27 34 VAL HA H 3.461 0.009 . 251 27 34 VAL HB H 2.250 0.007 . 252 27 34 VAL HG1 H 1.048 0.005 . 253 27 34 VAL HG2 H 1.069 0.004 . 254 27 34 VAL CA C 67.719 0.094 . 255 27 34 VAL CB C 32.060 0.054 . 256 27 34 VAL CG1 C 23.109 0.088 . 257 27 34 VAL CG2 C 23.071 0.032 . 258 27 34 VAL N N 120.057 0.041 . 259 28 35 SER H H 8.443 0.005 . 260 28 35 SER HA H 3.973 0.008 . 261 28 35 SER CA C 63.069 0.165 . 262 28 35 SER N N 115.928 0.044 . 263 29 36 VAL H H 7.521 0.010 . 264 29 36 VAL HA H 3.748 0.006 . 265 29 36 VAL HB H 2.048 0.011 . 266 29 36 VAL HG1 H 1.017 0.012 . 267 29 36 VAL HG2 H 0.873 0.009 . 268 29 36 VAL CA C 66.369 0.111 . 269 29 36 VAL CB C 32.336 0.066 . 270 29 36 VAL CG1 C 22.837 0.054 . 271 29 36 VAL N N 120.712 0.028 . 272 30 37 TYR H H 7.968 0.006 . 273 30 37 TYR HA H 4.157 0.008 . 274 30 37 TYR HB2 H 3.149 0.008 . 275 30 37 TYR HB3 H 2.943 0.013 . 276 30 37 TYR CA C 62.036 0.059 . 277 30 37 TYR CB C 38.921 0.100 . 278 30 37 TYR N N 121.113 0.069 . 279 31 38 LEU H H 8.417 0.006 . 280 31 38 LEU HA H 4.051 0.004 . 281 31 38 LEU HB2 H 1.610 0.008 . 282 31 38 LEU HB3 H 1.504 0.009 . 283 31 38 LEU HD1 H 0.989 0.003 . 284 31 38 LEU HD2 H 0.908 0.004 . 285 31 38 LEU HG H 1.961 0.008 . 286 31 38 LEU CA C 55.028 0.125 . 287 31 38 LEU CB C 42.674 0.105 . 288 31 38 LEU CD1 C 22.484 0.042 . 289 31 38 LEU CG C 27.174 0.133 . 290 31 38 LEU N N 114.228 0.040 . 291 32 39 ASN H H 7.822 0.005 . 292 32 39 ASN HA H 4.220 0.007 . 293 32 39 ASN HB2 H 3.112 0.007 . 294 32 39 ASN HB3 H 2.519 0.007 . 295 32 39 ASN CA C 54.292 0.087 . 296 32 39 ASN CB C 37.677 0.080 . 297 32 39 ASN N N 117.898 0.081 . 298 33 40 ARG H H 7.944 0.004 . 299 33 40 ARG HA H 4.525 0.006 . 300 33 40 ARG HB2 H 1.669 0.005 . 301 33 40 ARG HB3 H 1.179 0.004 . 302 33 40 ARG HD2 H 3.256 0.005 . 303 33 40 ARG HD3 H 2.769 0.010 . 304 33 40 ARG HG2 H 1.498 0.003 . 305 33 40 ARG HG3 H 1.660 0.006 . 306 33 40 ARG CA C 54.725 0.078 . 307 33 40 ARG CB C 35.662 0.084 . 308 33 40 ARG CD C 44.183 0.021 . 309 33 40 ARG CG C 27.074 0.164 . 310 33 40 ARG N N 116.306 0.049 . 311 34 41 ASP H H 8.481 0.013 . 312 34 41 ASP HA H 4.311 0.004 . 313 34 41 ASP HB2 H 2.493 0.007 . 314 34 41 ASP HB3 H 2.572 0.008 . 315 34 41 ASP CA C 54.939 0.072 . 316 34 41 ASP CB C 43.261 0.075 . 317 34 41 ASP N N 122.875 0.075 . 318 35 42 MET H H 8.745 0.004 . 319 35 42 MET HA H 3.591 0.010 . 320 35 42 MET HB2 H 1.937 0.007 . 321 35 42 MET HG2 H 2.189 0.005 . 322 35 42 MET CA C 60.618 0.089 . 323 35 42 MET CB C 34.191 0.102 . 324 35 42 MET CG C 32.443 0.039 . 325 35 42 MET N N 125.065 0.058 . 326 36 43 THR H H 8.314 0.003 . 327 36 43 THR HA H 3.590 0.012 . 328 36 43 THR HB H 4.141 0.008 . 329 36 43 THR HG2 H 1.141 0.014 . 330 36 43 THR HG2 H 1.156 0.006 . 331 36 43 THR CA C 67.160 0.178 . 332 36 43 THR CB C 68.463 0.112 . 333 36 43 THR CG2 C 23.005 0.045 . 334 36 43 THR N N 112.506 0.126 . 335 37 44 GLU H H 7.312 0.039 . 336 37 44 GLU HA H 4.089 0.007 . 337 37 44 GLU HB2 H 2.123 0.005 . 338 37 44 GLU HB3 H 2.255 0.01 . 339 37 44 GLU HG2 H 2.260 0.01 . 340 37 44 GLU HG3 H 2.300 0.004 . 341 37 44 GLU CA C 59.658 0.067 . 342 37 44 GLU CB C 30.167 0.213 . 343 37 44 GLU CG C 37.355 0.015 . 344 37 44 GLU N N 121.383 0.088 . 345 38 45 ILE H H 7.207 0.017 . 346 38 45 ILE HA H 2.982 0.009 . 347 38 45 ILE HB H 1.302 0.008 . 348 38 45 ILE HD1 H 0.428 0.001 . 349 38 45 ILE HG12 H 1.275 0.004 . 350 38 45 ILE HG2 H 0.443 0.005 . 351 38 45 ILE CA C 65.725 0.140 . 352 38 45 ILE CB C 37.747 0.062 . 353 38 45 ILE CG2 C 14.264 0.067 . 354 38 45 ILE N N 118.923 0.084 . 355 39 46 ILE H H 7.756 0.012 . 356 39 46 ILE HA H 3.089 0.009 . 357 39 46 ILE HB H 1.655 0.010 . 358 39 46 ILE HD1 H 0.599 0.006 . 359 39 46 ILE HD1 H 0.504 0.015 . 360 39 46 ILE HG13 H 0.721 0.005 . 361 39 46 ILE HG2 H 0.674 0.067 . 362 39 46 ILE CA C 66.580 0.068 . 363 39 46 ILE CB C 37.923 0.084 . 364 39 46 ILE CG2 C 18.243 0.225 . 365 39 46 ILE N N 117.749 0.060 . 366 40 47 GLU H H 8.164 0.009 . 367 40 47 GLU HA H 3.628 0.015 . 368 40 47 GLU HB2 H 2.097 0.01 . 369 40 47 GLU HB3 H 1.964 0.013 . 370 40 47 GLU HG2 H 2.281 0.01 . 371 40 47 GLU HG3 H 2.240 0.013 . 372 40 47 GLU CA C 61.668 0.107 . 373 40 47 GLU CB C 29.922 0.096 . 374 40 47 GLU CG C 38.746 0.259 . 375 40 47 GLU N N 117.948 0.137 . 376 41 48 GLU H H 7.952 0.017 . 377 41 48 GLU HA H 3.538 0.006 . 378 41 48 GLU HB2 H 2.146 0.005 . 379 41 48 GLU HG2 H 2.368 0.010 . 380 41 48 GLU HG3 H 2.433 0.01 . 381 41 48 GLU CA C 61.253 0.172 . 382 41 48 GLU CB C 30.458 0.094 . 383 41 48 GLU CG C 38.972 0.081 . 384 41 48 GLU N N 119.281 0.063 . 385 42 49 ALA H H 8.458 0.023 . 386 42 49 ALA HA H 4.038 0.009 . 387 42 49 ALA HB H 1.246 0.008 . 388 42 49 ALA CA C 55.889 0.050 . 389 42 49 ALA CB C 17.733 0.047 . 390 42 49 ALA N N 120.358 0.053 . 391 43 50 VAL H H 8.474 0.007 . 392 43 50 VAL HA H 3.449 0.011 . 393 43 50 VAL HB H 2.168 0.023 . 394 43 50 VAL HG1 H 0.906 0.010 . 395 43 50 VAL HG2 H 0.671 0.003 . 396 43 50 VAL CA C 67.362 0.103 . 397 43 50 VAL CB C 31.916 0.055 . 398 43 50 VAL CG1 C 22.717 0.015 . 399 43 50 VAL CG2 C 22.727 0.122 . 400 43 50 VAL N N 119.540 0.049 . 401 44 51 VAL H H 8.361 0.015 . 402 44 51 VAL HA H 3.402 0.012 . 403 44 51 VAL HB H 1.833 0.005 . 404 44 51 VAL HG1 H 0.742 0.002 . 405 44 51 VAL HG2 H 0.155 0.002 . 406 44 51 VAL CA C 68.759 0.080 . 407 44 51 VAL CB C 31.462 0.121 . 408 44 51 VAL N N 121.473 0.044 . 409 45 52 MET H H 8.681 0.022 . 410 45 52 MET HA H 4.063 0.006 . 411 45 52 MET HB2 H 2.273 0.006 . 412 45 52 MET HB3 H 2.265 0.009 . 413 45 52 MET HG2 H 2.821 0.009 . 414 45 52 MET HG3 H 2.549 0.008 . 415 45 52 MET CA C 59.733 0.089 . 416 45 52 MET CB C 33.079 0.123 . 417 45 52 MET CG C 33.166 0.036 . 418 45 52 MET N N 117.866 0.124 . 419 46 53 TRP H H 8.302 0.004 . 420 46 53 TRP HA H 3.929 0.009 . 421 46 53 TRP HB2 H 3.652 0.016 . 422 46 53 TRP HB3 H 3.213 0.012 . 423 46 53 TRP CA C 63.129 0.113 . 424 46 53 TRP CB C 30.767 0.038 . 425 46 53 TRP N N 121.939 0.043 . 426 47 54 LEU H H 8.779 0.015 . 427 47 54 LEU HA H 3.767 0.009 . 428 47 54 LEU HB2 H 2.331 0.010 . 429 47 54 LEU HB3 H 1.234 0.005 . 430 47 54 LEU HD1 H 0.753 0.011 . 431 47 54 LEU HD2 H 0.930 0.008 . 432 47 54 LEU HG H 2.290 0.008 . 433 47 54 LEU CA C 59.240 0.105 . 434 47 54 LEU CB C 42.369 0.053 . 435 47 54 LEU CD1 C 24.008 0.091 . 436 47 54 LEU CG C 26.524 0.3 . 437 47 54 LEU N N 121.457 0.032 . 438 48 55 ILE H H 8.124 0.008 . 439 48 55 ILE HA H 3.353 0.011 . 440 48 55 ILE HB H 1.827 0.008 . 441 48 55 ILE HD1 H 0.771 0.007 . 442 48 55 ILE HD1 H 0.854 0.003 . 443 48 55 ILE HG12 H 0.936 0.002 . 444 48 55 ILE HG13 H 0.829 0.008 . 445 48 55 ILE CA C 66.242 0.154 . 446 48 55 ILE CB C 39.123 0.053 . 447 48 55 ILE CD1 C 15.675 0.173 . 448 48 55 ILE CG2 C 18.016 0.099 . 449 48 55 ILE N N 117.076 0.099 . 450 49 56 GLN H H 8.152 0.013 . 451 49 56 GLN HA H 3.876 0.010 . 452 49 56 GLN HB2 H 1.843 0.012 . 453 49 56 GLN HG2 H 2.315 0.004 . 454 49 56 GLN HG3 H 2.199 0.004 . 455 49 56 GLN CA C 58.623 0.111 . 456 49 56 GLN CB C 28.723 0.067 . 457 49 56 GLN CG C 34.570 0.049 . 458 49 56 GLN N N 118.099 0.079 . 459 50 57 ASN H H 7.377 0.007 . 460 50 57 ASN HA H 4.381 0.008 . 461 50 57 ASN HB2 H 2.048 0.008 . 462 50 57 ASN CA C 54.239 0.077 . 463 50 57 ASN CB C 39.477 0.169 . 464 50 57 ASN N N 114.992 0.041 . 465 51 58 LYS H H 7.125 0.005 . 466 51 58 LYS HA H 3.543 0.007 . 467 51 58 LYS HB2 H 1.771 0.008 . 468 51 58 LYS HB3 H 1.993 0.009 . 469 51 58 LYS HD2 H 1.669 0.004 . 470 51 58 LYS HE2 H 2.806 0.009 . 471 51 58 LYS HG2 H 1.693 0.01 . 472 51 58 LYS HG3 H 1.260 0.007 . 473 51 58 LYS CA C 61.414 0.147 . 474 51 58 LYS CB C 33.948 0.075 . 475 51 58 LYS CD C 29.930 0.131 . 476 51 58 LYS CE C 42.039 0.061 . 477 51 58 LYS CG C 25.736 0.3 . 478 51 58 LYS N N 121.572 0.055 . 479 52 59 GLU H H 8.283 0.005 . 480 52 59 GLU HA H 4.051 0.013 . 481 52 59 GLU HB2 H 2.040 0.011 . 482 52 59 GLU HB3 H 1.716 0.203 . 483 52 59 GLU HG2 H 2.192 0.005 . 484 52 59 GLU CA C 58.361 0.066 . 485 52 59 GLU CB C 29.149 0.081 . 486 52 59 GLU CG C 36.757 0.104 . 487 52 59 GLU N N 112.893 0.152 . 488 53 60 LYS H H 7.716 0.005 . 489 53 60 LYS HA H 4.313 0.008 . 490 53 60 LYS HB2 H 1.959 0.011 . 491 53 60 LYS HB3 H 1.719 0.003 . 492 53 60 LYS HD2 H 1.584 0.008 . 493 53 60 LYS HE2 H 3.213 0.461 . 494 53 60 LYS HG2 H 1.313 0.006 . 495 53 60 LYS CA C 56.329 0.080 . 496 53 60 LYS CB C 33.508 0.086 . 497 53 60 LYS CD C 29.755 0.3 . 498 53 60 LYS CE C 42.619 0.3 . 499 53 60 LYS CG C 25.441 0.130 . 500 53 60 LYS N N 117.009 0.054 . 501 54 61 LEU H H 7.149 0.004 . 502 54 61 LEU HA H 4.396 0.005 . 503 54 61 LEU HB2 H 1.849 0.006 . 504 54 61 LEU HB3 H 1.626 0.006 . 505 54 61 LEU HD1 H 0.812 0.006 . 506 54 61 LEU HD1 H 0.781 0.003 . 507 54 61 LEU HD2 H 0.693 0.007 . 508 54 61 LEU HG H 1.104 0.015 . 509 54 61 LEU CA C 52.830 0.071 . 510 54 61 LEU CB C 41.113 0.086 . 511 54 61 LEU N N 119.051 0.044 . 512 55 62 PRO HA H 4.158 0.004 . 513 55 62 PRO HB2 H 2.125 0.008 . 514 55 62 PRO HB3 H 1.602 0.004 . 515 55 62 PRO HG2 H 1.350 0.011 . 516 55 62 PRO HG3 H 1.139 0.001 . 517 55 62 PRO CA C 63.124 0.102 . 518 55 62 PRO CB C 32.547 0.082 . 519 56 63 ASN H H 8.753 0.005 . 520 56 63 ASN HA H 4.084 0.007 . 521 56 63 ASN HB2 H 2.685 0.010 . 522 56 63 ASN CA C 57.183 0.153 . 523 56 63 ASN CB C 38.593 0.076 . 524 56 63 ASN N N 121.680 0.121 . 525 57 64 GLU H H 9.374 0.020 . 526 57 64 GLU HA H 4.043 0.009 . 527 57 64 GLU HB2 H 1.929 0.008 . 528 57 64 GLU HG2 H 2.176 0.007 . 529 57 64 GLU CA C 59.489 0.116 . 530 57 64 GLU CB C 29.166 0.182 . 531 57 64 GLU CG C 36.699 0.028 . 532 57 64 GLU N N 117.088 0.044 . 533 58 65 LEU H H 7.558 0.006 . 534 58 65 LEU HA H 4.343 0.008 . 535 58 65 LEU HB2 H 1.385 0.005 . 536 58 65 LEU HB3 H 1.549 0.007 . 537 58 65 LEU HD1 H 0.798 0.009 . 538 58 65 LEU HD2 H 0.784 0.013 . 539 58 65 LEU HG H 1.530 0.001 . 540 58 65 LEU CA C 55.236 0.150 . 541 58 65 LEU CB C 43.696 0.068 . 542 58 65 LEU CD1 C 24.279 0.067 . 543 58 65 LEU CD2 C 26.074 0.046 . 544 58 65 LEU CG C 28.079 0.074 . 545 58 65 LEU N N 116.502 0.047 . 546 59 66 LYS H H 7.333 0.004 . 547 59 66 LYS HA H 4.183 0.01 . 548 59 66 LYS HB2 H 1.927 0.005 . 549 59 66 LYS HB3 H 1.842 0.004 . 550 59 66 LYS HE2 H 3.005 0.01 . 551 59 66 LYS CA C 63.055 0.3 . 552 59 66 LYS CB C 30.862 0.149 . 553 59 66 LYS N N 119.570 0.053 . 554 60 67 PRO HA H 4.343 0.006 . 555 60 67 PRO HB2 H 2.297 0.005 . 556 60 67 PRO HB3 H 1.750 0.013 . 557 60 67 PRO HD2 H 3.702 0.049 . 558 60 67 PRO HD3 H 3.523 0.006 . 559 60 67 PRO HG2 H 1.917 0.005 . 560 60 67 PRO CA C 66.115 0.065 . 561 60 67 PRO CB C 31.444 0.034 . 562 60 67 PRO CD C 50.918 0.058 . 563 60 67 PRO CG C 28.800 0.040 . 564 61 68 LYS H H 6.932 0.009 . 565 61 68 LYS HA H 4.123 0.005 . 566 61 68 LYS HB2 H 1.922 0.007 . 567 61 68 LYS HD2 H 1.690 0.001 . 568 61 68 LYS HD3 H 1.639 0.008 . 569 61 68 LYS HE2 H 2.877 0.007 . 570 61 68 LYS HG2 H 1.485 0.014 . 571 61 68 LYS HG3 H 1.462 0.002 . 572 61 68 LYS CA C 58.256 0.154 . 573 61 68 LYS CB C 31.608 0.089 . 574 61 68 LYS CD C 28.420 0.107 . 575 61 68 LYS CE C 42.334 0.085 . 576 61 68 LYS CG C 25.116 0.125 . 577 61 68 LYS N N 116.496 0.065 . 578 62 69 ILE H H 7.730 0.004 . 579 62 69 ILE HA H 3.493 0.005 . 580 62 69 ILE HB H 1.900 0.004 . 581 62 69 ILE HD1 H 0.640 0.005 . 582 62 69 ILE HG12 H 0.726 0.007 . 583 62 69 ILE HG2 H 0.712 0.011 . 584 62 69 ILE CA C 65.690 0.115 . 585 62 69 ILE CB C 37.689 0.167 . 586 62 69 ILE CD1 C 14.102 0.073 . 587 62 69 ILE CG2 C 18.060 0.067 . 588 62 69 ILE N N 119.618 0.053 . 589 63 70 ASP H H 7.953 0.009 . 590 63 70 ASP HA H 4.295 0.010 . 591 63 70 ASP HB2 H 2.645 0.016 . 592 63 70 ASP HB3 H 2.566 0.007 . 593 63 70 ASP CA C 58.157 0.082 . 594 63 70 ASP CB C 40.509 0.129 . 595 63 70 ASP N N 120.861 0.061 . 596 64 71 GLU H H 7.754 0.005 . 597 64 71 GLU HA H 3.933 0.059 . 598 64 71 GLU HB2 H 2.125 0.007 . 599 64 71 GLU HB3 H 2.224 0.009 . 600 64 71 GLU HG2 H 2.312 0.007 . 601 64 71 GLU HG3 H 2.161 0.005 . 602 64 71 GLU CA C 60.149 0.058 . 603 64 71 GLU CB C 30.228 0.079 . 604 64 71 GLU CG C 36.439 0.079 . 605 64 71 GLU N N 120.017 0.072 . 606 65 72 ILE H H 8.011 0.008 . 607 65 72 ILE HA H 3.735 0.010 . 608 65 72 ILE HB H 1.865 0.010 . 609 65 72 ILE HD1 H 0.657 0.009 . 610 65 72 ILE HG12 H 1.009 0.009 . 611 65 72 ILE HG13 H 0.858 0.01 . 612 65 72 ILE HG2 H 0.856 0.01 . 613 65 72 ILE CA C 65.984 0.142 . 614 65 72 ILE CB C 39.280 0.147 . 615 65 72 ILE CD1 C 14.770 0.060 . 616 65 72 ILE N N 119.194 0.102 . 617 66 73 SER H H 8.647 0.019 . 618 66 73 SER HA H 4.022 0.006 . 619 66 73 SER HB2 H 3.855 0.01 . 620 66 73 SER CA C 63.017 0.205 . 621 66 73 SER CB C 63.493 0.3 . 622 66 73 SER N N 114.894 0.031 . 623 67 74 LYS H H 7.459 0.010 . 624 67 74 LYS HA H 4.025 0.012 . 625 67 74 LYS HB2 H 1.830 0.011 . 626 67 74 LYS HB3 H 1.921 0.002 . 627 67 74 LYS HD2 H 1.607 0.001 . 628 67 74 LYS HE2 H 2.886 0.004 . 629 67 74 LYS HG2 H 1.601 0.002 . 630 67 74 LYS HG3 H 1.613 0.001 . 631 67 74 LYS CA C 59.185 0.287 . 632 67 74 LYS CB C 32.981 0.048 . 633 67 74 LYS CD C 29.742 0.082 . 634 67 74 LYS CE C 42.767 0.3 . 635 67 74 LYS CG C 25.661 0.3 . 636 67 74 LYS N N 119.071 0.057 . 637 68 75 ARG H H 7.436 0.006 . 638 68 75 ARG HA H 4.071 0.009 . 639 68 75 ARG HB2 H 1.788 0.008 . 640 68 75 ARG HB3 H 1.762 0.01 . 641 68 75 ARG HD2 H 3.000 0.003 . 642 68 75 ARG HD3 H 3.106 0.011 . 643 68 75 ARG HG3 H 1.314 0.014 . 644 68 75 ARG CA C 58.494 0.061 . 645 68 75 ARG CB C 31.226 0.054 . 646 68 75 ARG CD C 44.305 0.040 . 647 68 75 ARG CG C 28.201 0.3 . 648 68 75 ARG N N 115.607 0.125 . 649 69 76 PHE H H 7.604 0.006 . 650 69 76 PHE HA H 3.911 0.016 . 651 69 76 PHE HB2 H 2.421 0.005 . 652 69 76 PHE HB3 H 2.178 0.01 . 653 69 76 PHE CA C 60.829 0.137 . 654 69 76 PHE CB C 41.653 0.111 . 655 69 76 PHE N N 116.463 0.067 . 656 70 77 PHE H H 8.161 0.009 . 657 70 77 PHE HA H 5.047 0.007 . 658 70 77 PHE HB2 H 3.086 0.008 . 659 70 77 PHE HB3 H 2.896 0.009 . 660 70 77 PHE CA C 55.257 0.103 . 661 70 77 PHE CB C 39.633 0.074 . 662 70 77 PHE N N 117.192 0.115 . 663 71 78 PRO HA H 4.417 0.006 . 664 71 78 PRO HB2 H 2.251 0.006 . 665 71 78 PRO HB3 H 1.859 0.006 . 666 71 78 PRO HD2 H 3.275 0.010 . 667 71 78 PRO HD3 H 3.496 0.009 . 668 71 78 PRO HG2 H 0.842 0.01 . 669 71 78 PRO CA C 63.937 0.053 . 670 71 78 PRO CB C 32.547 0.061 . 671 71 78 PRO CD C 50.747 0.054 . 672 71 78 PRO CG C 27.658 0.3 . 673 72 79 ALA H H 8.223 0.006 . 674 72 79 ALA HA H 4.280 0.004 . 675 72 79 ALA HB H 1.324 0.002 . 676 72 79 ALA CA C 52.807 0.036 . 677 72 79 ALA CB C 19.768 0.038 . 678 72 79 ALA N N 123.839 0.049 . 679 73 80 LYS H H 7.689 0.006 . 680 73 80 LYS CA C 58.129 0.3 . 681 73 80 LYS CB C 34.404 0.3 . 682 73 80 LYS N N 125.559 0.041 . stop_ save_