data_50513 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments for the Betacoronavirus SARS-CoV-2 non-structural protein Nsp9 ; _BMRB_accession_number 50513 _BMRB_flat_file_name bmr50513.str _Entry_type original _Submission_date 2020-10-15 _Accession_date 2020-10-15 _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 Buchko Garry W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 284 "13C chemical shifts" 327 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-10 original BMRB . stop_ _Original_release_date 2020-10-15 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone chemical shift assignments for the SARS-CoV-2 non-structural protein Nsp9: intermediate (ms - s) dynamics in the C-terminal helix at the dimer interface ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchko Garry W. . 2 Zhou Mowei . . 3 Craig Justin C. . 4 'Van Voorhis' Wesley C. . 5 Myler Peter J. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword SARS-CoV-2 SSGCID 'non-structural protein' 'protein dynamics' 'viral replication' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name homodimer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Nsp9, chain 1' $entity_1 'Nsp9, chain 2' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'May play a role in viral replication' 'Shown to bind oligonucleotides' 'non-structural protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MGSSHHHHHHSSGENLYFQG HMNNELSPVALRQMSCAAGT TQTACTDDNALAYYNTTKGG RFVLALLSDLQDLKWARFPK SDGTGTIYTELEPPCRFVTD TPKGPKVKYLYFIKGLNNLN RGMVLGSLAATVRLQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -21 MET 2 -20 GLY 3 -19 SER 4 -18 SER 5 -17 HIS 6 -16 HIS 7 -15 HIS 8 -14 HIS 9 -13 HIS 10 -12 HIS 11 -11 SER 12 -10 SER 13 -9 GLY 14 -8 GLU 15 -7 ASN 16 -6 LEU 17 -5 TYR 18 -4 PHE 19 -3 GLN 20 -2 GLY 21 -1 HIS 22 0 MET 23 1 ASN 24 2 ASN 25 3 GLU 26 4 LEU 27 5 SER 28 6 PRO 29 7 VAL 30 8 ALA 31 9 LEU 32 10 ARG 33 11 GLN 34 12 MET 35 13 SER 36 14 CYS 37 15 ALA 38 16 ALA 39 17 GLY 40 18 THR 41 19 THR 42 20 GLN 43 21 THR 44 22 ALA 45 23 CYS 46 24 THR 47 25 ASP 48 26 ASP 49 27 ASN 50 28 ALA 51 29 LEU 52 30 ALA 53 31 TYR 54 32 TYR 55 33 ASN 56 34 THR 57 35 THR 58 36 LYS 59 37 GLY 60 38 GLY 61 39 ARG 62 40 PHE 63 41 VAL 64 42 LEU 65 43 ALA 66 44 LEU 67 45 LEU 68 46 SER 69 47 ASP 70 48 LEU 71 49 GLN 72 50 ASP 73 51 LEU 74 52 LYS 75 53 TRP 76 54 ALA 77 55 ARG 78 56 PHE 79 57 PRO 80 58 LYS 81 59 SER 82 60 ASP 83 61 GLY 84 62 THR 85 63 GLY 86 64 THR 87 65 ILE 88 66 TYR 89 67 THR 90 68 GLU 91 69 LEU 92 70 GLU 93 71 PRO 94 72 PRO 95 73 CYS 96 74 ARG 97 75 PHE 98 76 VAL 99 77 THR 100 78 ASP 101 79 THR 102 80 PRO 103 81 LYS 104 82 GLY 105 83 PRO 106 84 LYS 107 85 VAL 108 86 LYS 109 87 TYR 110 88 LEU 111 89 TYR 112 90 PHE 113 91 ILE 114 92 LYS 115 93 GLY 116 94 LEU 117 95 ASN 118 96 ASN 119 97 LEU 120 98 ASN 121 99 ARG 122 100 GLY 123 101 MET 124 102 VAL 125 103 LEU 126 104 GLY 127 105 SER 128 106 LEU 129 107 ALA 130 108 ALA 131 109 THR 132 110 VAL 133 111 ARG 134 112 LEU 135 113 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 SARS-CoV-2 2697049 Viruses . Betacoronavirus SARS-CoV-2 Wuhan-Hu-1 Orf1a stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3)pLyS plasmid pET28a-TEV 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 $entity_1 0.5 mM '[U-98% 13C; U-98% 15N; U-70% 2H]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'The N-terminal tag was removed, leaving 3 scar residues at the N-terminus, GHM-' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-98% % 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY1.414 _Version . loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name FELIX _Version 2007 loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_15N_edited_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N edited NOESY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_13C-edited_NOESY_aliph_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY aliph' _Sample_label $sample_1 save_ save_3D_15N-edited_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_B-optimized_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB B-optimized' _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' 120 2 mM pH 7 0.1 pH pressure 1 . atm temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' '3D HNCACO' '3D CCH-TOCSY' '3D HCCH-TOCSY' '2D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Nsp9, 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 -6 16 LEU CA C 52.5 0.2 1 2 -6 16 LEU CB C 39.7 0.2 1 3 -5 17 TYR H H 7.91 0.02 1 4 -5 17 TYR CA C 50.7 0.2 1 5 -5 17 TYR CB C 36.0 0.2 1 6 -5 17 TYR N N 119.4 0.2 1 7 -4 18 PHE H H 7.99 0.02 1 8 -4 18 PHE CB C 39.6 0.2 1 9 -4 18 PHE N N 121.8 0.2 1 10 -2 20 GLY C C 174.2 0.2 1 11 -2 20 GLY CA C 43.0 0.2 1 12 -1 21 HIS H H 8.19 0.02 1 13 -1 21 HIS C C 176.1 0.2 1 14 -1 21 HIS CA C 53.4 0.2 1 15 -1 21 HIS CB C 27.6 0.2 1 16 -1 21 HIS N N 119.9 0.2 1 17 7 29 VAL C C 174.7 0.2 1 18 7 29 VAL CA C 59.9 0.2 1 19 7 29 VAL CB C 30.3 0.3 1 20 8 30 ALA H H 8.21 0.02 1 21 8 30 ALA HA H 4.31 0.02 1 22 8 30 ALA HB H 1.31 0.02 1 23 8 30 ALA C C 176.9 0.2 1 24 8 30 ALA CA C 49.5 0.2 1 25 8 30 ALA CB C 16.4 0.2 1 26 8 30 ALA N N 127.4 0.2 1 27 9 31 LEU H H 8.21 0.02 1 28 9 31 LEU HA H 4.49 0.02 1 29 9 31 LEU C C 176.6 0.2 1 30 9 31 LEU CA C 52.2 0.2 1 31 9 31 LEU CB C 40.0 0.2 1 32 9 31 LEU N N 121.7 0.2 1 33 10 32 ARG H H 8.23 0.02 1 34 10 32 ARG HA H 4.42 0.02 1 35 10 32 ARG C C 174.1 0.2 1 36 10 32 ARG CA C 51.7 0.2 1 37 10 32 ARG CB C 30.1 0.2 1 38 10 32 ARG CG C 24.8 0.2 1 39 10 32 ARG CD C 40.7 0.2 1 40 10 32 ARG N N 122.7 0.2 1 41 11 33 GLN H H 8.18 0.02 1 42 11 33 GLN HA H 5.74 0.02 1 43 11 33 GLN HB2 H 1.69 0.02 2 44 11 33 GLN HB3 H 1.69 0.02 2 45 11 33 GLN HG2 H 1.78 0.02 2 46 11 33 GLN HG3 H 1.70 0.02 2 47 11 33 GLN C C 176.2 0.2 1 48 11 33 GLN CA C 51.3 0.2 1 49 11 33 GLN CB C 30.1 0.2 1 50 11 33 GLN CG C 30.8 0.2 1 51 11 33 GLN N N 114.4 0.2 1 52 12 34 MET H H 9.04 0.02 1 53 12 34 MET HA H 4.98 0.02 1 54 12 34 MET C C 174.0 0.2 1 55 12 34 MET CA C 52.1 0.2 1 56 12 34 MET CB C 33.2 0.2 1 57 12 34 MET N N 118.3 0.2 1 58 13 35 SER H H 8.85 0.02 1 59 13 35 SER C C 174.2 0.2 1 60 13 35 SER CA C 56.7 0.2 1 61 13 35 SER CB C 61.6 0.2 1 62 13 35 SER N N 119.0 0.2 1 63 14 36 CYS H H 8.68 0.02 1 64 14 36 CYS HA H 4.98 0.02 1 65 14 36 CYS C C 170.6 0.2 1 66 14 36 CYS CA C 54.4 0.2 1 67 14 36 CYS CB C 29.6 0.2 1 68 14 36 CYS N N 118.6 0.2 1 69 15 37 ALA H H 7.74 0.02 1 70 15 37 ALA HA H 5.04 0.02 1 71 15 37 ALA HB H 1.12 0.02 1 72 15 37 ALA C C 175.5 0.2 1 73 15 37 ALA CA C 48.5 0.2 1 74 15 37 ALA CB C 18.7 0.2 1 75 15 37 ALA N N 121.9 0.2 1 76 16 38 ALA H H 8.91 0.02 1 77 16 38 ALA HA H 5.42 0.02 1 78 16 38 ALA HB H 1.28 0.02 1 79 16 38 ALA C C 177.6 0.5 1 80 16 38 ALA CA C 48.6 0.2 1 81 16 38 ALA CB C 21.8 0.2 1 82 16 38 ALA N N 123.7 0.2 1 83 17 39 GLY H H 8.81 0.02 1 84 17 39 GLY C C 174.5 0.2 1 85 17 39 GLY CA C 43.3 0.2 1 86 17 39 GLY N N 107.0 0.2 1 87 18 40 THR H H 9.28 0.02 1 88 18 40 THR C C 173.7 0.2 1 89 18 40 THR CA C 62.2 0.2 1 90 18 40 THR CB C 66.8 0.2 1 91 18 40 THR N N 116.1 0.2 1 92 19 41 THR H H 7.23 0.02 1 93 19 41 THR HA H 4.58 0.02 1 94 19 41 THR C C 174.5 0.2 1 95 19 41 THR CA C 56.9 0.2 1 96 19 41 THR CB C 69.6 0.2 1 97 19 41 THR CG2 C 19.6 0.2 1 98 19 41 THR N N 108.3 0.2 1 99 20 42 GLN C C 178.0 0.2 1 100 21 43 THR H H 7.46 0.02 1 101 21 43 THR C C 174.7 0.2 1 102 21 43 THR CA C 60.9 0.2 1 103 21 43 THR CB C 66.3 0.2 1 104 21 43 THR CG2 C 19.0 0.2 1 105 21 43 THR N N 107.7 0.2 1 106 22 44 ALA H H 7.26 0.02 1 107 22 44 ALA HA H 4.47 0.02 1 108 22 44 ALA HB H 1.40 0.02 1 109 22 44 ALA C C 177.2 0.2 1 110 22 44 ALA CA C 49.2 0.2 1 111 22 44 ALA CB C 16.8 0.2 1 112 22 44 ALA N N 122.6 0.2 1 113 23 45 CYS H H 7.35 0.02 1 114 23 45 CYS HA H 4.23 0.02 1 115 23 45 CYS HB2 H 3.14 0.02 2 116 23 45 CYS HB3 H 2.22 0.02 2 117 23 45 CYS C C 174.4 0.2 1 118 23 45 CYS CA C 57.2 0.2 1 119 23 45 CYS CB C 24.9 0.2 1 120 23 45 CYS N N 117.9 0.2 1 121 24 46 THR H H 8.33 0.02 1 122 24 46 THR HA H 4.34 0.02 1 123 24 46 THR HG2 H 1.12 0.2 1 124 24 46 THR C C 173.4 0.2 1 125 24 46 THR CA C 59.0 0.2 1 126 24 46 THR CB C 67.8 0.2 1 127 24 46 THR CG2 C 18.8 0.2 1 128 24 46 THR N N 118.0 0.2 1 129 25 47 ASP H H 8.26 0.02 1 130 25 47 ASP HA H 4.57 0.02 1 131 25 47 ASP HB2 H 2.57 0.02 2 132 25 47 ASP HB3 H 2.45 0.02 2 133 25 47 ASP C C 175.7 0.2 1 134 25 47 ASP CA C 52.1 0.2 1 135 25 47 ASP CB C 40.0 0.2 1 136 25 47 ASP N N 122.3 0.2 1 137 26 48 ASP H H 8.48 0.02 1 138 26 48 ASP HA H 4.34 0.02 1 139 26 48 ASP HB2 H 2.62 0.02 2 140 26 48 ASP HB3 H 2.62 0.02 2 141 26 48 ASP C C 176.3 0.2 1 142 26 48 ASP CA C 53.2 0.2 1 143 26 48 ASP CB C 36.9 0.2 1 144 26 48 ASP N N 119.9 0.2 1 145 27 49 ASN H H 8.54 0.02 1 146 27 49 ASN HA H 4.86 0.02 1 147 27 49 ASN HB2 H 2.72 0.02 2 148 27 49 ASN HB3 H 2.61 0.02 2 149 27 49 ASN C C 174.7 0.2 1 150 27 49 ASN CA C 50.0 0.2 1 151 27 49 ASN CB C 36.0 0.2 1 152 27 49 ASN N N 120.2 0.2 1 153 28 50 ALA H H 8.32 0.02 1 154 28 50 ALA HA H 4.84 0.02 1 155 28 50 ALA HB H 1.22 0.02 1 156 28 50 ALA C C 174.9 0.2 1 157 28 50 ALA CA C 48.9 0.2 1 158 28 50 ALA CB C 19.7 0.2 1 159 28 50 ALA N N 121.4 0.2 1 160 29 51 LEU H H 8.59 0.02 1 161 29 51 LEU HA H 4.95 0.02 1 162 29 51 LEU HB2 H 1.54 0.02 2 163 29 51 LEU HB3 H 1.35 0.02 2 164 29 51 LEU HD1 H 0.71 0.02 2 165 29 51 LEU HD2 H 0.71 0.02 2 166 29 51 LEU C C 175.0 0.2 1 167 29 51 LEU CA C 51.1 0.2 1 168 29 51 LEU CB C 42.4 0.2 1 169 29 51 LEU CG C 23.8 0.2 1 170 29 51 LEU CD1 C 21.6 0.2 2 171 29 51 LEU CD2 C 21.6 0.2 2 172 29 51 LEU N N 120.8 0.2 1 173 30 52 ALA H H 9.58 0.02 1 174 30 52 ALA HA H 5.39 0.02 1 175 30 52 ALA HB H 1.47 0.02 1 176 30 52 ALA C C 176.7 0.2 1 177 30 52 ALA CA C 47.9 0.2 1 178 30 52 ALA CB C 18.6 0.2 1 179 30 52 ALA N N 125.3 0.2 1 180 31 53 TYR H H 9.09 0.02 1 181 31 53 TYR HA H 5.47 0.02 1 182 31 53 TYR HD1 H 6.81 0.02 3 183 31 53 TYR HD2 H 6.81 0.02 3 184 31 53 TYR C C 176.1 0.2 1 185 31 53 TYR CA C 54.4 0.2 1 186 31 53 TYR CB C 38.3 0.2 1 187 31 53 TYR CD1 C 132.1 0.2 3 188 31 53 TYR CD2 C 132.1 0.2 3 189 31 53 TYR N N 120.2 0.2 1 190 32 54 TYR H H 9.25 0.02 1 191 32 54 TYR HA H 5.58 0.02 1 192 32 54 TYR HD1 H 6.72 0.02 3 193 32 54 TYR HD2 H 6.72 0.02 3 194 32 54 TYR C C 172.3 0.2 1 195 32 54 TYR CA C 52.8 0.2 1 196 32 54 TYR CB C 40.2 0.2 1 197 32 54 TYR CD1 C 133.4 0.2 3 198 32 54 TYR CD2 C 133.4 0.2 3 199 32 54 TYR N N 119.4 0.2 1 200 33 55 ASN H H 8.93 0.02 1 201 33 55 ASN HA H 5.18 0.02 1 202 33 55 ASN HB2 H 2.77 0.02 2 203 33 55 ASN HB3 H 2.77 0.02 2 204 33 55 ASN HD21 H 7.33 0.02 2 205 33 55 ASN HD22 H 6.71 0.02 2 206 33 55 ASN C C 175.0 0.2 1 207 33 55 ASN CA C 48.6 0.2 1 208 33 55 ASN CB C 39.2 0.2 1 209 33 55 ASN N N 117.7 0.2 1 210 33 55 ASN ND2 N 109.6 0.2 1 211 34 56 THR H H 8.42 0.02 1 212 34 56 THR HG2 H 1.24 0.2 1 213 34 56 THR C C 174.3 0.2 1 214 34 56 THR CA C 59.7 0.2 1 215 34 56 THR CB C 67.2 0.2 1 216 34 56 THR CG2 C 18.8 0.2 1 217 34 56 THR N N 116.5 0.2 1 218 35 57 THR H H 8.33 0.02 1 219 35 57 THR HA H 4.67 0.02 1 220 35 57 THR HB H 4.39 0.02 1 221 35 57 THR HG2 H 1.16 0.02 1 222 35 57 THR C C 175.2 0.2 1 223 35 57 THR CA C 58.2 0.2 1 224 35 57 THR CB C 68.9 0.2 1 225 35 57 THR N N 117.1 0.2 1 226 37 59 GLY H H 8.34 0.02 1 227 37 59 GLY HA2 H 4.07 0.02 2 228 37 59 GLY HA3 H 3.86 0.02 2 229 37 59 GLY C C 174.2 0.2 1 230 37 59 GLY CA C 42.6 0.2 1 231 37 59 GLY N N 106.5 0.2 1 232 38 60 GLY H H 7.68 0.02 1 233 38 60 GLY HA2 H 4.16 0.02 2 234 38 60 GLY HA3 H 3.90 0.02 2 235 38 60 GLY C C 172.6 0.2 1 236 38 60 GLY CA C 42.0 0.2 1 237 38 60 GLY N N 108.5 0.2 1 238 39 61 ARG H H 8.21 0.02 1 239 39 61 ARG HB2 H 1.58 0.02 2 240 39 61 ARG HB3 H 1.27 0.02 2 241 39 61 ARG HD2 H 2.40 0.02 2 242 39 61 ARG HD3 H 2.24 0.02 2 243 39 61 ARG C C 175.1 0.2 1 244 39 61 ARG CA C 53.5 0.2 1 245 39 61 ARG CB C 28.7 0.2 1 246 39 61 ARG CG C 24.0 0.2 1 247 39 61 ARG CD C 40.4 0.2 1 248 39 61 ARG N N 120.6 0.2 1 249 40 62 PHE H H 9.01 0.02 1 250 40 62 PHE HA H 4.83 0.02 1 251 40 62 PHE HB2 H 3.15 0.02 2 252 40 62 PHE HB3 H 2.88 0.02 2 253 40 62 PHE C C 174.2 0.2 1 254 40 62 PHE CA C 53.6 0.2 1 255 40 62 PHE CB C 37.9 0.2 1 256 40 62 PHE N N 126.0 0.2 1 257 41 63 VAL H H 8.08 0.02 1 258 41 63 VAL HA H 3.80 0.02 1 259 41 63 VAL HB H 1.36 0.02 1 260 41 63 VAL HG1 H 0.60 0.02 2 261 41 63 VAL HG2 H 0.06 0.02 2 262 41 63 VAL C C 174.3 0.2 1 263 41 63 VAL CA C 60.7 0.2 1 264 41 63 VAL CB C 28.9 0.2 1 265 41 63 VAL CG1 C 18.3 0.2 2 266 41 63 VAL CG2 C 18.3 0.2 2 267 41 63 VAL N N 126.4 0.2 1 268 42 64 LEU H H 8.68 0.02 1 269 42 64 LEU HA H 4.52 0.02 1 270 42 64 LEU HB2 H 1.47 0.02 2 271 42 64 LEU HB3 H 1.33 0.02 2 272 42 64 LEU C C 176.2 0.2 1 273 42 64 LEU CA C 53.6 0.2 1 274 42 64 LEU CB C 42.5 0.2 1 275 42 64 LEU CG C 23.9 0.2 1 276 42 64 LEU CD1 C 22.0 0.2 2 277 42 64 LEU CD2 C 22.0 0.2 2 278 42 64 LEU N N 123.2 0.2 1 279 43 65 ALA H H 7.44 0.02 1 280 43 65 ALA HA H 5.18 0.02 1 281 43 65 ALA HB H 1.22 0.02 1 282 43 65 ALA C C 174.6 0.2 1 283 43 65 ALA CA C 48.6 0.2 1 284 43 65 ALA CB C 21.7 0.2 1 285 43 65 ALA N N 114.5 0.2 1 286 44 66 LEU H H 9.46 0.02 1 287 44 66 LEU HA H 5.61 0.02 1 288 44 66 LEU HB2 H 1.48 0.02 2 289 44 66 LEU HB3 H 1.34 0.02 2 290 44 66 LEU HG H 0.58 0.02 1 291 44 66 LEU HD1 H 0.71 0.02 2 292 44 66 LEU HD2 H 0.71 0.02 2 293 44 66 LEU C C 175.2 0.2 1 294 44 66 LEU CA C 51.3 0.2 1 295 44 66 LEU CB C 44.1 0.2 1 296 44 66 LEU CG C 24.9 0.2 1 297 44 66 LEU CD1 C 21.0 0.2 2 298 44 66 LEU CD2 C 21.0 0.2 2 299 44 66 LEU N N 120.2 0.2 1 300 45 67 LEU H H 9.54 0.02 1 301 45 67 LEU HA H 5.69 0.02 1 302 45 67 LEU HB2 H 1.80 0.02 2 303 45 67 LEU HB3 H 1.50 0.02 2 304 45 67 LEU C C 177.2 0.2 1 305 45 67 LEU CA C 50.9 0.2 1 306 45 67 LEU CB C 44.1 0.2 1 307 45 67 LEU CD1 C 22.6 0.2 2 308 45 67 LEU CD2 C 22.6 0.02 2 309 45 67 LEU N N 122.1 0.2 1 310 46 68 SER H H 9.39 0.02 1 311 46 68 SER HA H 5.04 0.02 1 312 46 68 SER C C 172.9 0.2 1 313 46 68 SER CA C 54.5 0.2 1 314 46 68 SER CB C 63.6 0.2 1 315 46 68 SER N N 117.5 0.2 1 316 47 69 ASP H H 8.89 0.02 1 317 47 69 ASP HA H 4.99 0.02 1 318 47 69 ASP HB2 H 2.95 0.02 2 319 47 69 ASP HB3 H 2.69 0.02 2 320 47 69 ASP C C 176.6 0.2 1 321 47 69 ASP CA C 53.5 0.2 1 322 47 69 ASP CB C 38.7 0.2 1 323 47 69 ASP N N 123.8 0.2 1 324 48 70 LEU H H 8.45 0.02 1 325 48 70 LEU C C 178.2 0.2 1 326 48 70 LEU CA C 52.4 0.2 1 327 48 70 LEU CB C 39.8 0.2 1 328 48 70 LEU N N 119.4 0.2 1 329 49 71 GLN H H 8.48 0.02 1 330 49 71 GLN HA H 3.33 0.02 1 331 49 71 GLN C C 174.8 0.2 1 332 49 71 GLN CA C 53.5 0.2 1 333 49 71 GLN CB C 27.8 0.2 1 334 49 71 GLN CG C 30.6 0.2 1 335 49 71 GLN N N 119.5 0.2 1 336 50 72 ASP H H 7.95 0.02 1 337 50 72 ASP HA H 4.57 0.02 1 338 50 72 ASP HB2 H 2.86 0.02 2 339 50 72 ASP HB3 H 2.49 0.02 2 340 50 72 ASP C C 175.8 0.2 1 341 50 72 ASP CA C 50.9 0.2 1 342 50 72 ASP CB C 37.5 0.2 1 343 50 72 ASP N N 116.5 0.2 1 344 51 73 LEU H H 7.64 0.2 1 345 51 73 LEU HA H 3.57 0.02 1 346 51 73 LEU C C 176.0 0.2 1 347 51 73 LEU CA C 53.4 0.2 1 348 51 73 LEU CB C 38.0 0.2 1 349 51 73 LEU N N 116.9 0.2 1 350 52 74 LYS H H 7.97 0.02 1 351 52 74 LYS HA H 4.34 0.02 1 352 52 74 LYS C C 174.0 0.2 1 353 52 74 LYS N N 117.8 0.2 1 354 53 75 TRP H H 7.96 0.02 1 355 53 75 TRP HA H 5.21 0.02 1 356 53 75 TRP HB2 H 2.99 0.02 2 357 53 75 TRP HB3 H 2.26 0.02 2 358 53 75 TRP HD1 H 6.61 0.02 1 359 53 75 TRP HE1 H 10.13 0.02 1 360 53 75 TRP HZ2 H 7.43 0.02 1 361 53 75 TRP C C 173.9 0.2 1 362 53 75 TRP CA C 52.9 0.2 1 363 53 75 TRP CB C 32.4 0.2 1 364 53 75 TRP CD1 C 126.0 0.2 1 365 53 75 TRP CZ2 C 115.2 0.2 1 366 53 75 TRP N N 117.2 0.2 1 367 53 75 TRP NE1 N 128.1 0.2 1 368 54 76 ALA H H 8.99 0.02 1 369 54 76 ALA HA H 5.11 0.02 1 370 54 76 ALA HB H 1.22 0.02 1 371 54 76 ALA C C 174.6 0.2 1 372 54 76 ALA CA C 48.3 0.2 1 373 54 76 ALA CB C 21.5 0.2 1 374 54 76 ALA N N 120.5 0.2 1 375 55 77 ARG H H 8.23 0.02 1 376 55 77 ARG HA H 4.91 0.02 1 377 55 77 ARG HB2 H 1.50 0.02 2 378 55 77 ARG HB3 H 1.50 0.02 2 379 55 77 ARG HD2 H 2.97 0.02 2 380 55 77 ARG HD3 H 2.88 0.02 2 381 55 77 ARG C C 174.1 0.2 1 382 55 77 ARG CA C 51.4 0.2 1 383 55 77 ARG CB C 31.0 0.2 1 384 55 77 ARG CG C 23.6 0.2 1 385 55 77 ARG CD C 41.0 0.2 1 386 55 77 ARG N N 120.8 0.2 1 387 56 78 PHE H H 8.64 0.02 1 388 56 78 PHE HA H 5.02 0.02 1 389 56 78 PHE HB2 H 3.08 0.02 2 390 56 78 PHE HB3 H 2.62 0.02 2 391 56 78 PHE C C 172.7 0.2 1 392 56 78 PHE CA C 52.1 0.2 1 393 56 78 PHE CB C 38.4 0.2 1 394 56 78 PHE N N 122.5 0.2 1 395 58 80 LYS H H 8.29 0.02 1 396 58 80 LYS HA H 4.25 0.02 1 397 58 80 LYS N N 121.5 0.2 1 398 59 81 SER C C 174.6 0.2 1 399 59 81 SER CA C 58.3 0.2 1 400 59 81 SER CB C 60.5 0.2 1 401 60 82 ASP H H 7.71 0.02 1 402 60 82 ASP HA H 4.58 0.02 1 403 60 82 ASP HB2 H 3.00 0.02 2 404 60 82 ASP HB3 H 2.59 0.02 2 405 60 82 ASP C C 177.2 0.2 1 406 60 82 ASP CA C 50.8 0.2 1 407 60 82 ASP CB C 38.1 0.2 1 408 60 82 ASP N N 118.0 0.2 1 409 61 83 GLY H H 7.94 0.02 1 410 61 83 GLY HA2 H 4.14 0.02 2 411 61 83 GLY HA3 H 3.90 0.02 2 412 61 83 GLY C C 175.7 0.2 1 413 61 83 GLY CA C 43.4 0.2 1 414 61 83 GLY N N 106.3 0.2 1 415 62 84 THR H H 7.96 0.02 1 416 62 84 THR HA H 4.42 0.02 1 417 62 84 THR HG2 H 1.08 0.2 1 418 62 84 THR C C 174.8 0.2 1 419 62 84 THR CA C 59.8 0.2 1 420 62 84 THR CB C 67.8 0.2 1 421 62 84 THR CG2 C 18.1 0.2 1 422 62 84 THR N N 110.1 0.2 1 423 63 85 GLY H H 7.82 0.02 1 424 63 85 GLY HA2 H 4.32 0.02 2 425 63 85 GLY HA3 H 4.00 0.02 2 426 63 85 GLY C C 173.0 0.2 1 427 63 85 GLY CA C 42.5 0.2 1 428 63 85 GLY N N 107.9 0.2 1 429 64 86 THR H H 8.45 0.02 1 430 64 86 THR C C 172.9 0.2 1 431 64 86 THR CA C 59.1 0.2 1 432 64 86 THR CB C 69.4 0.2 1 433 64 86 THR CG2 C 19.2 0.2 1 434 64 86 THR N N 115.1 0.2 1 435 65 87 ILE H H 8.84 0.02 1 436 65 87 ILE HA H 4.40 0.02 1 437 65 87 ILE HB H 1.70 0.02 1 438 65 87 ILE HG12 H 1.39 0.02 2 439 65 87 ILE HG13 H 1.04 0.02 2 440 65 87 ILE HG2 H 0.84 0.02 1 441 65 87 ILE HD1 H 0.85 0.02 1 442 65 87 ILE C C 174.0 0.2 1 443 65 87 ILE CA C 57.3 0.2 1 444 65 87 ILE CB C 38.4 0.2 1 445 65 87 ILE CG1 C 24.3 0.2 1 446 65 87 ILE CG2 C 15.2 0.2 1 447 65 87 ILE CD1 C 10.8 0.2 1 448 65 87 ILE N N 122.6 0.2 1 449 66 88 TYR H H 8.42 0.02 1 450 66 88 TYR HA H 5.67 0.02 1 451 66 88 TYR HB2 H 3.03 0.02 2 452 66 88 TYR HB3 H 2.77 0.02 2 453 66 88 TYR C C 176.7 0.2 1 454 66 88 TYR CA C 54.4 0.2 1 455 66 88 TYR CB C 38.8 0.2 1 456 66 88 TYR N N 121.2 0.2 1 457 67 89 THR H H 9.41 0.02 1 458 67 89 THR HA H 4.84 0.02 1 459 67 89 THR HB H 3.90 0.02 1 460 67 89 THR C C 172.3 0.2 1 461 67 89 THR CA C 58.4 0.2 1 462 67 89 THR CB C 69.0 0.2 1 463 67 89 THR CG2 C 19.1 0.2 1 464 67 89 THR N N 117.5 0.2 1 465 68 90 GLU H H 8.82 0.02 1 466 68 90 GLU HA H 3.63 0.02 1 467 68 90 GLU HB2 H 1.47 0.02 2 468 68 90 GLU HB3 H 1.47 0.02 2 469 68 90 GLU HG2 H 1.43 0.02 2 470 68 90 GLU HG3 H 1.21 0.02 2 471 68 90 GLU C C 175.2 0.2 1 472 68 90 GLU CA C 53.6 0.2 1 473 68 90 GLU CB C 28.0 0.2 1 474 68 90 GLU CG C 33.9 0.3 1 475 68 90 GLU N N 129.1 0.2 1 476 69 91 LEU H H 7.32 0.02 1 477 69 91 LEU C C 177.5 0.2 1 478 69 91 LEU CA C 50.6 0.2 1 479 69 91 LEU CB C 40.7 0.2 1 480 69 91 LEU N N 121.4 0.2 1 481 70 92 GLU H H 8.55 0.02 1 482 70 92 GLU HA H 4.51 0.02 1 483 70 92 GLU C C 174.0 0.2 1 484 70 92 GLU CA C 52.9 0.2 1 485 70 92 GLU CB C 26.0 0.2 1 486 70 92 GLU N N 120.5 0.2 1 487 72 94 PRO C C 177.8 0.2 1 488 72 94 PRO CA C 59.9 0.2 1 489 72 94 PRO CB C 29.2 0.2 1 490 73 95 CYS H H 8.70 0.02 1 491 73 95 CYS HB2 H 2.81 0.02 2 492 73 95 CYS HB3 H 2.81 0.02 2 493 73 95 CYS C C 173.6 0.2 1 494 73 95 CYS CA C 54.1 0.2 1 495 73 95 CYS CB C 27.2 0.2 1 496 73 95 CYS N N 117.1 0.2 1 497 74 96 ARG H H 8.60 0.02 1 498 74 96 ARG HA H 4.48 0.02 1 499 74 96 ARG C C 175.0 0.2 1 500 74 96 ARG CA C 53.6 0.2 1 501 74 96 ARG CB C 29.3 0.2 1 502 74 96 ARG N N 125.1 0.2 1 503 75 97 PHE H H 8.81 0.02 1 504 75 97 PHE HA H 4.87 0.02 1 505 75 97 PHE C C 172.7 0.2 1 506 75 97 PHE CA C 53.9 0.2 1 507 75 97 PHE N N 124.6 0.2 1 508 76 98 VAL H H 8.45 0.02 1 509 76 98 VAL HA H 4.47 0.02 1 510 76 98 VAL HB H 1.82 0.02 1 511 76 98 VAL HG1 H 0.78 0.02 2 512 76 98 VAL HG2 H 0.78 0.02 2 513 76 98 VAL C C 175.4 0.2 1 514 76 98 VAL CA C 58.9 0.2 1 515 76 98 VAL CB C 30.5 0.2 1 516 76 98 VAL CG1 C 18.8 0.2 2 517 76 98 VAL CG2 C 18.8 0.2 2 518 76 98 VAL N N 122.5 0.2 1 519 77 99 THR H H 8.55 0.02 1 520 77 99 THR C C 172.9 0.2 1 521 77 99 THR CA C 57.0 0.2 1 522 77 99 THR CB C 68.9 0.2 1 523 77 99 THR CG2 C 18.2 0.2 1 524 77 99 THR N N 119.0 0.2 1 525 78 100 ASP H H 8.48 0.02 1 526 78 100 ASP HB2 H 2.56 0.02 2 527 78 100 ASP HB3 H 2.45 0.02 2 528 78 100 ASP C C 175.7 0.2 1 529 78 100 ASP CA C 52.4 0.2 1 530 78 100 ASP CB C 39.7 0.2 1 531 78 100 ASP N N 123.8 0.2 1 532 79 101 THR H H 7.52 0.02 1 533 79 101 THR HA H 5.10 0.02 1 534 79 101 THR HG2 H 1.18 0.02 1 535 79 101 THR C C 174.6 0.2 1 536 79 101 THR CA C 57.5 0.2 1 537 79 101 THR CB C 68.0 0.2 1 538 79 101 THR N N 114.2 0.2 1 539 80 102 PRO C C 177.2 0.2 1 540 80 102 PRO CA C 62.1 0.2 1 541 81 103 LYS H H 7.62 0.02 1 542 81 103 LYS HA H 4.51 0.02 1 543 81 103 LYS C C 175.8 0.2 1 544 81 103 LYS CA C 52.3 0.2 1 545 81 103 LYS CB C 29.7 0.2 1 546 81 103 LYS N N 113.9 0.2 1 547 82 104 GLY H H 7.70 0.02 1 548 82 104 GLY HA2 H 4.66 0.02 2 549 82 104 GLY HA3 H 3.93 0.02 2 550 82 104 GLY C C 172.1 0.2 1 551 82 104 GLY CA C 41.4 0.2 1 552 82 104 GLY N N 109.2 0.2 1 553 83 105 PRO C C 172.9 0.2 1 554 83 105 PRO CA C 60.7 0.2 1 555 83 105 PRO CB C 29.2 0.2 1 556 84 106 LYS H H 8.90 0.02 1 557 84 106 LYS HA H 4.99 0.02 1 558 84 106 LYS HB2 H 1.67 0.02 2 559 84 106 LYS HB3 H 1.53 0.02 2 560 84 106 LYS C C 175.0 0.2 1 561 84 106 LYS CA C 52.1 0.2 1 562 84 106 LYS CB C 32.6 0.2 1 563 84 106 LYS CE C 39.3 0.2 1 564 84 106 LYS N N 123.4 0.2 1 565 85 107 VAL H H 8.53 0.02 1 566 85 107 VAL HA H 4.15 0.02 1 567 85 107 VAL HB H 1.83 0.02 1 568 85 107 VAL HG1 H 0.82 0.02 2 569 85 107 VAL HG2 H 0.49 0.02 2 570 85 107 VAL C C 175.0 0.2 1 571 85 107 VAL CA C 60.2 0.2 1 572 85 107 VAL CB C 29.4 0.2 1 573 85 107 VAL CG1 C 18.5 0.2 2 574 85 107 VAL CG2 C 18.5 0.2 2 575 85 107 VAL N N 126.8 0.2 1 576 86 108 LYS H H 8.53 0.02 1 577 86 108 LYS HA H 4.46 0.02 1 578 86 108 LYS CA C 50.6 0.2 1 579 86 108 LYS N N 128.8 0.2 1 580 87 109 TYR H H 8.56 0.02 1 581 87 109 TYR HD1 H 6.65 0.02 3 582 87 109 TYR HD2 H 6.65 0.02 3 583 87 109 TYR C C 173.7 0.2 1 584 87 109 TYR CA C 55.1 0.2 1 585 87 109 TYR CB C 38.1 0.2 1 586 87 109 TYR CD1 C 133.1 0.2 3 587 87 109 TYR CD2 C 133.1 0.2 3 588 87 109 TYR N N 116.6 0.2 1 589 88 110 LEU H H 8.73 0.02 1 590 88 110 LEU HA H 5.15 0.02 1 591 88 110 LEU C C 175.0 0.2 1 592 88 110 LEU CA C 50.6 0.2 1 593 88 110 LEU CB C 37.9 0.2 1 594 88 110 LEU CG C 23.6 0.2 1 595 88 110 LEU CD1 C 20.8 0.2 2 596 88 110 LEU CD2 C 20.5 0.2 2 597 88 110 LEU N N 124.7 0.2 1 598 89 111 TYR H H 9.86 0.02 1 599 89 111 TYR HA H 4.66 0.02 1 600 89 111 TYR C C 175.9 0.2 1 601 89 111 TYR CA C 52.9 0.2 1 602 89 111 TYR CB C 38.1 0.2 1 603 89 111 TYR N N 127.0 0.2 1 604 90 112 PHE H H 8.87 0.02 1 605 90 112 PHE HA H 4.89 0.02 1 606 90 112 PHE C C 175.6 0.2 1 607 90 112 PHE CA C 56.3 0.2 1 608 90 112 PHE CB C 36.7 0.2 1 609 90 112 PHE N N 122.5 0.2 1 610 91 113 ILE H H 7.44 0.02 1 611 91 113 ILE HA H 4.18 0.02 1 612 91 113 ILE HB H 1.90 0.02 1 613 91 113 ILE HG12 H 1.37 0.02 2 614 91 113 ILE HG13 H 0.88 0.02 2 615 91 113 ILE HG2 H 0.87 0.02 1 616 91 113 ILE HD1 H 0.73 0.02 1 617 91 113 ILE C C 175.7 0.2 1 618 91 113 ILE CA C 58.6 0.2 1 619 91 113 ILE CB C 35.0 0.2 1 620 91 113 ILE CG1 C 24.5 0.2 1 621 91 113 ILE CG2 C 16.0 0.2 1 622 91 113 ILE CD1 C 10.0 0.2 1 623 91 113 ILE N N 118.9 0.2 1 624 92 114 LYS H H 8.03 0.02 1 625 92 114 LYS C C 178.1 0.2 1 626 92 114 LYS CA C 57.6 0.2 1 627 92 114 LYS N N 122.8 0.2 1 628 93 115 GLY H H 9.09 0.02 1 629 93 115 GLY HA2 H 4.14 0.02 2 630 93 115 GLY HA3 H 3.65 0.02 2 631 93 115 GLY C C 175.0 0.2 1 632 93 115 GLY CA C 42.5 0.2 1 633 93 115 GLY N N 113.8 0.2 1 634 94 116 LEU H H 7.67 0.02 1 635 94 116 LEU C C 177.8 0.2 1 636 94 116 LEU CA C 53.4 0.2 1 637 94 116 LEU CB C 39.4 0.2 1 638 94 116 LEU N N 122.1 0.2 1 639 95 117 ASN H H 8.85 0.02 1 640 95 117 ASN HA H 4.57 0.02 1 641 95 117 ASN C C 175.3 0.2 1 642 95 117 ASN CA C 50.3 0.2 1 643 95 117 ASN CB C 35.5 0.2 1 644 95 117 ASN N N 125.2 0.2 1 645 107 129 ALA H H 7.87 0.02 1 646 107 129 ALA HA H 4.15 0.02 1 647 107 129 ALA HB H 1.43 0.02 1 648 107 129 ALA C C 178.2 0.2 1 649 107 129 ALA CA C 51.6 0.2 1 650 107 129 ALA CB C 16.0 0.2 1 651 107 129 ALA N N 117.8 0.2 1 652 108 130 ALA H H 7.59 0.02 1 653 108 130 ALA HA H 4.35 0.02 1 654 108 130 ALA HB H 1.49 0.02 1 655 108 130 ALA C C 178.4 0.2 1 656 108 130 ALA CA C 50.9 0.2 1 657 108 130 ALA CB C 16.8 0.2 1 658 108 130 ALA N N 117.8 0.2 1 659 109 131 THR H H 7.82 0.02 1 660 109 131 THR HA H 4.41 0.02 1 661 109 131 THR C C 178.4 0.2 1 662 109 131 THR CA C 60.1 0.2 1 663 109 131 THR N N 109.6 0.2 1 664 110 132 VAL H H 7.90 0.02 1 665 110 132 VAL HA H 4.26 0.02 1 666 110 132 VAL HB H 2.07 0.02 1 667 110 132 VAL HG1 H 0.84 0.02 2 668 110 132 VAL HG2 H 0.84 0.02 2 669 110 132 VAL CA C 59.5 0.2 1 670 110 132 VAL CB C 30.2 0.2 1 671 110 132 VAL CG1 C 18.3 0.2 2 672 110 132 VAL CG2 C 18.3 0.2 2 673 110 132 VAL N N 120.9 0.2 1 674 111 133 ARG H H 8.23 0.02 1 675 111 133 ARG HB2 H 1.84 0.02 2 676 111 133 ARG HB3 H 1.76 0.02 2 677 111 133 ARG C C 175.8 0.2 1 678 111 133 ARG CA C 53.2 0.2 1 679 111 133 ARG CB C 27.7 0.2 1 680 111 133 ARG CG C 24.2 0.2 1 681 111 133 ARG CD C 40.8 0.2 1 682 111 133 ARG N N 123.0 0.2 1 683 112 134 LEU H H 8.29 0.02 1 684 112 134 LEU HA H 4.45 0.02 1 685 112 134 LEU HB2 H 1.62 0.02 2 686 112 134 LEU HB3 H 1.62 0.02 2 687 112 134 LEU C C 176.5 0.2 1 688 112 134 LEU CA C 52.8 0.2 1 689 112 134 LEU CB C 39.6 0.2 1 690 112 134 LEU CD1 C 20.7 0.2 2 691 112 134 LEU CD2 C 20.7 0.2 2 692 112 134 LEU N N 124.6 0.2 1 693 113 135 GLN H H 7.91 0.02 1 694 113 135 GLN HA H 4.15 0.02 1 695 113 135 GLN HB2 H 2.04 0.02 2 696 113 135 GLN HB3 H 1.87 0.02 2 697 113 135 GLN HG2 H 2.24 0.02 2 698 113 135 GLN HG3 H 2.24 0.02 2 699 113 135 GLN C C 180.3 0.2 1 700 113 135 GLN CA C 54.9 0.2 1 701 113 135 GLN CB C 28.0 0.2 1 702 113 135 GLN CG C 31.4 0.2 1 703 113 135 GLN N N 125.1 0.2 1 stop_ save_