data_30043 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of Mayaro virus macro domain ; _BMRB_accession_number 30043 _BMRB_flat_file_name bmr30043.str _Entry_type original _Submission_date 2016-03-10 _Accession_date 2016-03-10 _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 Melekis E. . . 2 Tsika A. C. . 3 Bentrop D. . . 4 Papageorgiou N. . . 5 Coutard B. . . 6 Spyroulias G. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 731 "13C chemical shifts" 441 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-12-13 original BMRB . stop_ _Original_release_date 2016-12-08 save_ ############################# # Citation for this entry # ############################# save_citation_4 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR solution structure of Mayaro virus macro domain ; _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 Melekis E. . . 2 Tsika A. C. . 3 Bentrop D. . . 4 Papageorgiou N. . . 5 Coutard B. . . 6 Spyroulias G. A. . 7 Melekis E. . . 8 Tsika A. C. . 9 Lichiere J. . . 10 Chasapis C. T. . 11 Margiolaki I. . . 12 Papageorgiou N. . . 13 Coutard B. . . 14 Bentrop D. . . 15 Spyroulias G. A. . 16 Makrynitsa G. I. . 17 Ntonti D. . . 18 Marousis K. D. . 19 Tsika A. C. . 20 Lichiere J. . . 21 Papageorgiou N. . . 22 Coutard B. . . 23 Bentrop D. . . 24 Spyroulias G. A. . 25 Papageorgiou N. . . 26 Watier Y. . . 27 Saunders L. . . 28 Coutard B. . . 29 Lantez V. . . 30 Gould E. A. . 31 Fitch A. N. . 32 Wright J. P. . 33 Canard B. . . 34 Margiolaki I. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; NMR study of non-structural proteins--part I: (1)H, (13)C, (15)N backbone and side-chain resonance assignment of macro domain from Mayaro virus (MAYV). ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25217003 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Melekis E. . . 2 Tsika A. C. . 3 Lichiere J. . . 4 Chasapis C. T. . 5 Margiolaki I. . . 6 Papageorgiou N. . . 7 Coutard B. . . 8 Bentrop D. . . 9 Spyroulias G. A. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full . _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 191 _Page_last 195 _Year 2015 _Details . save_ save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; NMR study of non-structural proteins--part II: (1)H, (13)C, (15)N backbone and side-chain resonance assignment of macro domain from Venezuelan equine encephalitis virus (VEEV). ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25291978 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Papageorgiou Nicolas . . 2 Watier Yves . . 3 Saunders Lucy . . 4 Coutard Bruno . . 5 Lantez Violaine . . 6 Gould Ernest A. . 7 Fitch Andrew N. . 8 Wright Jonathan P. . 9 Canard Bruno . . 10 Margiolaki Irene . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full . _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 247 _Page_last 251 _Year 2015 _Details . save_ save_citation_3 _Saveframe_category citation _Citation_full . _Citation_title ; Preliminary insights into the non structural protein 3 macro domain of the Mayaro virus by powder diffraction ; _Citation_status published _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 Melekis E. . . 2 Tsika A. C. . 3 Bentrop D. . . 4 Papageorgiou N. . . 5 Coutard B. . . stop_ _Journal_abbreviation 'Zeitschfrift fur Kristallographie' _Journal_name_full . _Journal_volume 225 _Journal_issue . _Journal_CSD 0005 _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 576 _Page_last 580 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Macro domain (E.C.2.1.1.-,2.7.7.-,3.1.3.33,3.4.22.-,3.6.1.15,3.6.4.13,2.7.7.48)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 18147.494 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MAPAYTVKRADIATAIEDAV VNAANHRGQVGDGVCRAVAR KWPQAFRNAATPVGTAKTVK CDETYIIHAVGPNFNNTSEA EGDRDLAAAYRAVAAEINRL SISSVAIPLLSTGIFSAGKD RVHQSLSHLLAAMDTTEARV TIYCRDKTWEQKIKTVLQNR HHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ALA 3 2 PRO 4 3 ALA 5 4 TYR 6 5 THR 7 6 VAL 8 7 LYS 9 8 ARG 10 9 ALA 11 10 ASP 12 11 ILE 13 12 ALA 14 13 THR 15 14 ALA 16 15 ILE 17 16 GLU 18 17 ASP 19 18 ALA 20 19 VAL 21 20 VAL 22 21 ASN 23 22 ALA 24 23 ALA 25 24 ASN 26 25 HIS 27 26 ARG 28 27 GLY 29 28 GLN 30 29 VAL 31 30 GLY 32 31 ASP 33 32 GLY 34 33 VAL 35 34 CYS 36 35 ARG 37 36 ALA 38 37 VAL 39 38 ALA 40 39 ARG 41 40 LYS 42 41 TRP 43 42 PRO 44 43 GLN 45 44 ALA 46 45 PHE 47 46 ARG 48 47 ASN 49 48 ALA 50 49 ALA 51 50 THR 52 51 PRO 53 52 VAL 54 53 GLY 55 54 THR 56 55 ALA 57 56 LYS 58 57 THR 59 58 VAL 60 59 LYS 61 60 CYS 62 61 ASP 63 62 GLU 64 63 THR 65 64 TYR 66 65 ILE 67 66 ILE 68 67 HIS 69 68 ALA 70 69 VAL 71 70 GLY 72 71 PRO 73 72 ASN 74 73 PHE 75 74 ASN 76 75 ASN 77 76 THR 78 77 SER 79 78 GLU 80 79 ALA 81 80 GLU 82 81 GLY 83 82 ASP 84 83 ARG 85 84 ASP 86 85 LEU 87 86 ALA 88 87 ALA 89 88 ALA 90 89 TYR 91 90 ARG 92 91 ALA 93 92 VAL 94 93 ALA 95 94 ALA 96 95 GLU 97 96 ILE 98 97 ASN 99 98 ARG 100 99 LEU 101 100 SER 102 101 ILE 103 102 SER 104 103 SER 105 104 VAL 106 105 ALA 107 106 ILE 108 107 PRO 109 108 LEU 110 109 LEU 111 110 SER 112 111 THR 113 112 GLY 114 113 ILE 115 114 PHE 116 115 SER 117 116 ALA 118 117 GLY 119 118 LYS 120 119 ASP 121 120 ARG 122 121 VAL 123 122 HIS 124 123 GLN 125 124 SER 126 125 LEU 127 126 SER 128 127 HIS 129 128 LEU 130 129 LEU 131 130 ALA 132 131 ALA 133 132 MET 134 133 ASP 135 134 THR 136 135 THR 137 136 GLU 138 137 ALA 139 138 ARG 140 139 VAL 141 140 THR 142 141 ILE 143 142 TYR 144 143 CYS 145 144 ARG 146 145 ASP 147 146 LYS 148 147 THR 149 148 TRP 150 149 GLU 151 150 GLN 152 151 LYS 153 152 ILE 154 153 LYS 155 154 THR 156 155 VAL 157 156 LEU 158 157 GLN 159 158 ASN 160 159 ARG 161 160 HIS 162 161 HIS 163 162 HIS 164 163 HIS 165 164 HIS 166 165 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 MAYV 374990 Viruses . Alphavirus 'Mayaro virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . 'Rosetta 2, pLysS, DL39' plasmid pDest14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details "0.4 mM Mayaro virus' macro domain, 90% H2O/10% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details "0.4 mM [U-99% 15N] Mayaro virus' macro domain, 90% H2O/10% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-99% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details "0.4 mM [U-99% 13C; U-99% 15N] Mayaro virus' macro domain, 90% H2O/10% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details "0.4 mM [U-15N]-Ala-Leu-Val Mayaro virus' macro domain, 90% H2O/10% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM [U-15N]-Ala-Leu-Val stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details "0.4 mM [U-14N]-Arg Mayaro virus' macro domain, 90% H2O/10% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM [U-14N]-Arg stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details "0.4 mM [U-14N]-Asn-Cys Mayaro virus' macro domain, 90% H2O/10% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM [U-14N]-Asn-Cys stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details "0.4 mM [U-100% 13C; U-100% 15N; U-80% 2H] Mayaro virus' macro domain, 90% H2O/10% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details "0.5 mM Mayaro virus' macro domain, 90% H2O/10% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Bruker Avance' _Field_strength 600 _Details 'equipped with a cryogenically cooled pulsed-field gradient triple-resonance probe (TXI)' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Bruker Avance III High-Definition four-channel' _Field_strength 700 _Details 'equipped with a cryogenically cooled 5 mm 1H/13C/15N/D Z-gradient probe (TCI)' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_7 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 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' 20 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7 . pH pressure 1 . atm temperature 298 . 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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_3 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNCA' '3D HNCO' '2D 1H-15N HSQC TROSY' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HNHA' '3D HN(CA)CO' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_3 $sample_4 $sample_5 $sample_7 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 2 3 PRO HA H 4.278 0.02 1 2 2 3 PRO HB2 H 1.852 0.02 2 3 2 3 PRO HB3 H 0.947 0.02 2 4 2 3 PRO HG2 H 2.136 0.02 2 5 2 3 PRO HG3 H 1.51 0.02 2 6 2 3 PRO HD2 H 4.265 0.02 2 7 2 3 PRO HD3 H 3.898 0.02 2 8 2 3 PRO CA C 62.56 0.3 1 9 2 3 PRO CB C 32.775 0.3 1 10 2 3 PRO CG C 26.716 0.3 1 11 2 3 PRO CD C 49.819 0.3 1 12 3 4 ALA H H 7.458 0.02 1 13 3 4 ALA HA H 4.562 0.02 1 14 3 4 ALA HB H 1.184 0.02 1 15 3 4 ALA CA C 50.436 0.3 1 16 3 4 ALA CB C 20.857 0.3 1 17 3 4 ALA N N 122.382 0.3 1 18 4 5 TYR H H 8.667 0.02 1 19 4 5 TYR HA H 5.561 0.02 1 20 4 5 TYR HB2 H 2.658 0.02 1 21 4 5 TYR HB3 H 2.658 0.02 1 22 4 5 TYR CA C 57.588 0.3 1 23 4 5 TYR CB C 42.709 0.3 1 24 4 5 TYR N N 122.144 0.3 1 25 5 6 THR H H 8.886 0.02 1 26 5 6 THR HA H 4.468 0.02 1 27 5 6 THR HB H 4.04 0.02 1 28 5 6 THR CA C 60.435 0.3 1 29 5 6 THR CB C 72.148 0.3 1 30 5 6 THR N N 116.136 0.3 1 31 6 7 VAL H H 8.451 0.02 1 32 6 7 VAL HA H 5.184 0.02 1 33 6 7 VAL HB H 1.755 0.02 1 34 6 7 VAL HG1 H 0.85 0.02 1 35 6 7 VAL HG2 H 0.803 0.02 1 36 6 7 VAL CA C 59.1 0.3 1 37 6 7 VAL CB C 34.349 0.3 1 38 6 7 VAL CG1 C 20.566 0.3 1 39 6 7 VAL CG2 C 23.035 0.3 1 40 6 7 VAL N N 121.038 0.3 1 41 7 8 LYS H H 8.989 0.02 1 42 7 8 LYS HA H 4.28 0.02 1 43 7 8 LYS HB2 H 0.77 0.02 2 44 7 8 LYS HB3 H 0.659 0.02 2 45 7 8 LYS HG2 H 0.848 0.02 1 46 7 8 LYS HG3 H 0.848 0.02 1 47 7 8 LYS HD2 H 1.326 0.02 1 48 7 8 LYS HD3 H 1.326 0.02 1 49 7 8 LYS HE2 H 2.866 0.02 2 50 7 8 LYS HE3 H 2.706 0.02 2 51 7 8 LYS CA C 54.548 0.3 1 52 7 8 LYS CB C 35.973 0.3 1 53 7 8 LYS CG C 24.748 0.3 1 54 7 8 LYS CD C 28.973 0.3 1 55 7 8 LYS CE C 41.695 0.3 1 56 7 8 LYS N N 129.646 0.3 1 57 8 9 ARG H H 8.51 0.02 1 58 8 9 ARG HA H 5.135 0.02 1 59 8 9 ARG HB2 H 1.85 0.02 2 60 8 9 ARG HB3 H 0.994 0.02 2 61 8 9 ARG HG2 H 1.276 0.02 2 62 8 9 ARG HG3 H 1.089 0.02 2 63 8 9 ARG HD2 H 2.993 0.02 2 64 8 9 ARG HD3 H 2.833 0.02 2 65 8 9 ARG CA C 53.312 0.3 1 66 8 9 ARG CB C 29.328 0.3 1 67 8 9 ARG CG C 27.222 0.3 1 68 8 9 ARG CD C 42.956 0.3 1 69 8 9 ARG N N 128.377 0.3 1 70 9 10 ALA H H 8.196 0.02 1 71 9 10 ALA HA H 4.419 0.02 1 72 9 10 ALA HB H 1.279 0.02 1 73 9 10 ALA CA C 50.887 0.3 1 74 9 10 ALA CB C 21.89 0.3 1 75 9 10 ALA N N 127.353 0.3 1 76 10 11 ASP H H 8.619 0.02 1 77 10 11 ASP HA H 4.707 0.02 1 78 10 11 ASP HB2 H 2.704 0.02 2 79 10 11 ASP HB3 H 2.564 0.02 2 80 10 11 ASP CA C 53.584 0.3 1 81 10 11 ASP CB C 41.765 0.3 1 82 10 11 ASP N N 119.635 0.3 1 83 11 12 ILE H H 8.627 0.02 1 84 11 12 ILE HB H 1.95 0.02 1 85 11 12 ILE HG12 H 1.404 0.02 2 86 11 12 ILE HG13 H 1.265 0.02 2 87 11 12 ILE HG2 H 0.95 0.02 1 88 11 12 ILE HD1 H 0.803 0.02 1 89 11 12 ILE CA C 64.192 0.3 1 90 11 12 ILE CB C 37.745 0.3 1 91 11 12 ILE CG1 C 27.745 0.3 1 92 11 12 ILE CG2 C 17.736 0.3 1 93 11 12 ILE CD1 C 13.64 0.3 1 94 11 12 ILE N N 134.024 0.3 1 95 12 13 ALA H H 8.27 0.02 1 96 12 13 ALA HA H 4.192 0.02 1 97 12 13 ALA HB H 1.184 0.02 1 98 12 13 ALA CA C 53.548 0.3 1 99 12 13 ALA CB C 18.225 0.3 1 100 12 13 ALA N N 123.017 0.3 1 101 13 14 THR H H 7.984 0.02 1 102 13 14 THR HA H 4.279 0.02 1 103 13 14 THR HB H 4.42 0.02 1 104 13 14 THR HG2 H 1.139 0.02 1 105 13 14 THR CA C 60.96 0.3 1 106 13 14 THR CB C 69.726 0.3 1 107 13 14 THR CG2 C 21.367 0.3 1 108 13 14 THR N N 107.766 0.3 1 109 14 15 ALA H H 7.656 0.02 1 110 14 15 ALA HA H 4.373 0.02 1 111 14 15 ALA HB H 1.375 0.02 1 112 14 15 ALA CA C 53.875 0.3 1 113 14 15 ALA CB C 19.919 0.3 1 114 14 15 ALA N N 126.267 0.3 1 115 15 16 ILE H H 6.891 0.02 1 116 15 16 ILE HA H 4.405 0.02 1 117 15 16 ILE HB H 2.086 0.02 1 118 15 16 ILE HG12 H 1.091 0.02 1 119 15 16 ILE HG13 H 1.091 0.02 1 120 15 16 ILE HG2 H 0.9 0.02 1 121 15 16 ILE HD1 H 0.756 0.02 1 122 15 16 ILE CA C 59.931 0.3 1 123 15 16 ILE CB C 38.542 0.3 1 124 15 16 ILE CG1 C 25.745 0.3 1 125 15 16 ILE CG2 C 18.287 0.3 1 126 15 16 ILE CD1 C 13.936 0.3 1 127 15 16 ILE N N 113.289 0.3 1 128 16 17 GLU H H 8.339 0.02 1 129 16 17 GLU HA H 3.94 0.02 1 130 16 17 GLU HB2 H 2.044 0.02 1 131 16 17 GLU HB3 H 2.044 0.02 1 132 16 17 GLU HG2 H 2.516 0.02 2 133 16 17 GLU HG3 H 2.231 0.02 2 134 16 17 GLU CA C 58.602 0.3 1 135 16 17 GLU CB C 29.714 0.3 1 136 16 17 GLU CG C 38.901 0.3 1 137 16 17 GLU N N 124.547 0.3 1 138 17 18 ASP H H 7.848 0.02 1 139 17 18 ASP HA H 4.325 0.02 1 140 17 18 ASP CA C 56.879 0.3 1 141 17 18 ASP CB C 41.488 0.3 1 142 17 18 ASP N N 119.442 0.3 1 143 18 19 ALA H H 7.635 0.02 1 144 18 19 ALA HA H 5.562 0.02 1 145 18 19 ALA HB H 1.233 0.02 1 146 18 19 ALA C C 174.636 0.3 1 147 18 19 ALA CA C 48.792 0.3 1 148 18 19 ALA CB C 23.812 0.3 1 149 18 19 ALA N N 117.708 0.3 1 150 19 20 VAL H H 8.656 0.02 1 151 19 20 VAL HA H 4.327 0.02 1 152 19 20 VAL HB H 1.199 0.02 1 153 19 20 VAL HG1 H 0.424 0.02 1 154 19 20 VAL HG2 H 0.424 0.02 1 155 19 20 VAL CA C 60.642 0.3 1 156 19 20 VAL CB C 34.865 0.3 1 157 19 20 VAL CG1 C 20.052 0.3 1 158 19 20 VAL CG2 C 20.624 0.3 1 159 19 20 VAL N N 122.554 0.3 1 160 20 21 VAL H H 8.681 0.02 1 161 20 21 VAL HA H 4.611 0.02 1 162 20 21 VAL HB H 1.193 0.02 1 163 20 21 VAL CA C 60.221 0.3 1 164 20 21 VAL CB C 31.527 0.3 1 165 20 21 VAL N N 128.107 0.3 1 166 21 22 ASN H H 8.652 0.02 1 167 21 22 ASN HA H 4.6 0.02 1 168 21 22 ASN HB2 H 2.424 0.02 2 169 21 22 ASN HB3 H 1.95 0.02 2 170 21 22 ASN CA C 50.701 0.3 1 171 21 22 ASN CB C 41.046 0.3 1 172 21 22 ASN N N 121.77 0.3 1 173 22 23 ALA HA H 4.514 0.02 1 174 22 23 ALA HB H 1.327 0.02 1 175 22 23 ALA CA C 50.648 0.3 1 176 22 23 ALA CB C 16.816 0.3 1 177 23 24 ALA H H 7.646 0.02 1 178 23 24 ALA HA H 4.505 0.02 1 179 23 24 ALA HB H 1.423 0.02 1 180 23 24 ALA CA C 51.413 0.3 1 181 23 24 ALA CB C 22.505 0.3 1 182 23 24 ALA N N 128.116 0.3 1 183 24 25 ASN H H 8.955 0.02 1 184 24 25 ASN HA H 4.492 0.02 1 185 24 25 ASN CA C 51.163 0.3 1 186 24 25 ASN N N 113.902 0.3 1 187 25 26 HIS H H 9.315 0.02 1 188 25 26 HIS HA H 5.039 0.02 1 189 25 26 HIS HB2 H 3.327 0.02 2 190 25 26 HIS HB3 H 2.892 0.02 2 191 25 26 HIS CA C 57.973 0.3 1 192 25 26 HIS CB C 30.13 0.3 1 193 25 26 HIS N N 119.658 0.3 1 194 26 27 ARG H H 7.108 0.02 1 195 26 27 ARG HA H 4.085 0.02 1 196 26 27 ARG HB2 H 1.662 0.02 1 197 26 27 ARG HB3 H 1.662 0.02 1 198 26 27 ARG HG2 H 0.945 0.02 2 199 26 27 ARG HG3 H 0.708 0.02 2 200 26 27 ARG HD2 H 2.942 0.02 1 201 26 27 ARG HD3 H 2.942 0.02 1 202 26 27 ARG CA C 55.025 0.3 1 203 26 27 ARG CB C 29.792 0.3 1 204 26 27 ARG CG C 26.772 0.3 1 205 26 27 ARG CD C 42.489 0.3 1 206 26 27 ARG N N 117.607 0.3 1 207 27 28 GLY H H 7.721 0.02 1 208 27 28 GLY HA2 H 3.801 0.02 2 209 27 28 GLY HA3 H 3.468 0.02 2 210 27 28 GLY CA C 45.62 0.3 1 211 27 28 GLY N N 109.402 0.3 1 212 28 29 GLN H H 7.683 0.02 1 213 28 29 GLN HA H 4.467 0.02 1 214 28 29 GLN HB2 H 1.945 0.02 2 215 28 29 GLN HB3 H 1.67 0.02 2 216 28 29 GLN HG2 H 2.184 0.02 2 217 28 29 GLN HG3 H 2.088 0.02 2 218 28 29 GLN CA C 53.192 0.3 1 219 28 29 GLN CB C 30.482 0.3 1 220 28 29 GLN CG C 33.585 0.3 1 221 28 29 GLN N N 116.64 0.3 1 222 29 30 VAL H H 8.611 0.02 1 223 29 30 VAL HA H 3.516 0.02 1 224 29 30 VAL HB H 1.661 0.02 1 225 29 30 VAL HG1 H 0.569 0.02 1 226 29 30 VAL HG2 H 0.531 0.02 1 227 29 30 VAL CA C 64.023 0.3 1 228 29 30 VAL CB C 30.557 0.3 1 229 29 30 VAL CG1 C 21.14 0.3 1 230 29 30 VAL CG2 C 20.214 0.3 1 231 29 30 VAL N N 124.011 0.3 1 232 30 31 GLY HA2 H 3.692 0.02 2 233 30 31 GLY HA3 H 4.197 0.02 2 234 30 31 GLY CA C 45.358 0.3 1 235 32 33 GLY H H 8.377 0.02 1 236 32 33 GLY HA2 H 3.849 0.02 1 237 32 33 GLY HA3 H 3.849 0.02 1 238 32 33 GLY CA C 45.119 0.3 1 239 32 33 GLY N N 109.725 0.3 1 240 33 34 VAL H H 7.876 0.02 1 241 33 34 VAL HA H 3.993 0.02 1 242 33 34 VAL HB H 1.943 0.02 1 243 33 34 VAL HG1 H 0.819 0.02 1 244 33 34 VAL CA C 62.217 0.3 1 245 33 34 VAL CB C 32.608 0.3 1 246 33 34 VAL CG1 C 20.704 0.3 1 247 33 34 VAL CG2 C 20.359 0.3 1 248 33 34 VAL N N 120.45 0.3 1 249 35 36 ARG HA H 3.853 0.02 1 250 35 36 ARG HB2 H 1.989 0.02 2 251 35 36 ARG HB3 H 1.768 0.02 2 252 35 36 ARG HG2 H 1.458 0.02 1 253 35 36 ARG HG3 H 1.458 0.02 1 254 35 36 ARG HD2 H 3.228 0.02 1 255 35 36 ARG HD3 H 3.228 0.02 1 256 35 36 ARG CA C 60.459 0.3 1 257 35 36 ARG CB C 29.746 0.3 1 258 35 36 ARG CG C 28.54 0.3 1 259 35 36 ARG CD C 43.247 0.3 1 260 36 37 ALA HA H 4.039 0.02 1 261 36 37 ALA HB H 1.565 0.02 1 262 36 37 ALA CA C 54.706 0.3 1 263 36 37 ALA CB C 18.691 0.3 1 264 37 38 VAL H H 8.345 0.02 1 265 37 38 VAL HA H 3.846 0.02 1 266 37 38 VAL HB H 2.326 0.02 1 267 37 38 VAL HG1 H 0.995 0.02 1 268 37 38 VAL HG2 H 0.976 0.02 1 269 37 38 VAL CA C 66.271 0.3 1 270 37 38 VAL CB C 31.642 0.3 1 271 37 38 VAL CG1 C 21.052 0.3 1 272 37 38 VAL CG2 C 23.342 0.3 1 273 37 38 VAL N N 120.044 0.3 1 274 38 39 ALA HA H 3.895 0.02 1 275 38 39 ALA HB H 0.854 0.02 1 276 38 39 ALA CA C 54.371 0.3 1 277 38 39 ALA CB C 18.996 0.3 1 278 39 40 ARG H H 7.433 0.02 1 279 39 40 ARG HA H 3.862 0.02 1 280 39 40 ARG HB2 H 1.761 0.02 1 281 39 40 ARG HB3 H 1.761 0.02 1 282 39 40 ARG HG2 H 1.599 0.02 2 283 39 40 ARG HG3 H 1.423 0.02 2 284 39 40 ARG HD2 H 3.086 0.02 1 285 39 40 ARG HD3 H 3.086 0.02 1 286 39 40 ARG CA C 57.982 0.3 1 287 39 40 ARG CB C 29.954 0.3 1 288 39 40 ARG CG C 27.285 0.3 1 289 39 40 ARG CD C 43.152 0.3 1 290 39 40 ARG N N 116.437 0.3 1 291 40 41 LYS H H 7.026 0.02 1 292 40 41 LYS HA H 3.891 0.02 1 293 40 41 LYS HB2 H 1.135 0.02 2 294 40 41 LYS HB3 H 1.046 0.02 2 295 40 41 LYS HG2 H -0.148 0.02 2 296 40 41 LYS HG3 H -0.46 0.02 2 297 40 41 LYS HD2 H 0.85 0.02 1 298 40 41 LYS HD3 H 0.85 0.02 1 299 40 41 LYS HE2 H 2.474 0.02 2 300 40 41 LYS HE3 H 2.348 0.02 2 301 40 41 LYS CA C 56.529 0.3 1 302 40 41 LYS CB C 32.884 0.3 1 303 40 41 LYS CG C 22.257 0.3 1 304 40 41 LYS CD C 27.433 0.3 1 305 40 41 LYS CE C 41.994 0.3 1 306 40 41 LYS N N 119.8 0.3 1 307 41 42 TRP H H 8.602 0.02 1 308 41 42 TRP HA H 5.129 0.02 1 309 41 42 TRP HB2 H 3.136 0.02 1 310 41 42 TRP HB3 H 3.136 0.02 1 311 41 42 TRP HE1 H 10.013 0.02 1 312 41 42 TRP CA C 60.568 0.3 1 313 41 42 TRP CB C 28.387 0.3 1 314 41 42 TRP N N 117.84 0.3 1 315 42 43 PRO HA H 4.514 0.02 1 316 42 43 PRO HB2 H 2.379 0.02 2 317 42 43 PRO HB3 H 1.9 0.02 2 318 42 43 PRO HG2 H 1.991 0.02 2 319 42 43 PRO HG3 H 1.946 0.02 2 320 42 43 PRO HD2 H 3.611 0.02 1 321 42 43 PRO HD3 H 3.611 0.02 1 322 42 43 PRO CA C 65.573 0.3 1 323 42 43 PRO CB C 31.049 0.3 1 324 42 43 PRO CG C 27.132 0.3 1 325 42 43 PRO CD C 49.766 0.3 1 326 43 44 GLN H H 9.304 0.02 1 327 43 44 GLN HA H 4.277 0.02 1 328 43 44 GLN HB2 H 2.187 0.02 2 329 43 44 GLN HB3 H 2.137 0.02 2 330 43 44 GLN HG2 H 2.423 0.02 2 331 43 44 GLN HG3 H 2.375 0.02 2 332 43 44 GLN CA C 57.113 0.3 1 333 43 44 GLN CB C 26.82 0.3 1 334 43 44 GLN CG C 33.645 0.3 1 335 43 44 GLN N N 117.655 0.3 1 336 44 45 ALA H H 8.367 0.02 1 337 44 45 ALA HA H 3.991 0.02 1 338 44 45 ALA HB H 1.327 0.02 1 339 44 45 ALA CA C 52.917 0.3 1 340 44 45 ALA CB C 18.362 0.3 1 341 44 45 ALA N N 122.097 0.3 1 342 45 46 PHE H H 7.611 0.02 1 343 45 46 PHE HA H 3.946 0.02 1 344 45 46 PHE HB2 H 2.337 0.02 2 345 45 46 PHE HB3 H 1.818 0.02 2 346 45 46 PHE CA C 57.944 0.3 1 347 45 46 PHE CB C 36.267 0.3 1 348 45 46 PHE N N 117.78 0.3 1 349 46 47 ARG H H 6.876 0.02 1 350 46 47 ARG HA H 4.183 0.02 1 351 46 47 ARG HB2 H 1.706 0.02 1 352 46 47 ARG HB3 H 1.706 0.02 1 353 46 47 ARG HG2 H 1.563 0.02 1 354 46 47 ARG HG3 H 1.563 0.02 1 355 46 47 ARG HD2 H 3.186 0.02 1 356 46 47 ARG HD3 H 3.186 0.02 1 357 46 47 ARG CA C 56.413 0.3 1 358 46 47 ARG CB C 30.175 0.3 1 359 46 47 ARG CG C 26.832 0.3 1 360 46 47 ARG CD C 43.097 0.3 1 361 46 47 ARG N N 122.225 0.3 1 362 47 48 ASN HA H 4.467 0.02 1 363 47 48 ASN HB2 H 2.849 0.02 2 364 47 48 ASN HB3 H 2.611 0.02 2 365 47 48 ASN CA C 53.299 0.3 1 366 47 48 ASN CB C 37.435 0.3 1 367 48 49 ALA H H 7.94 0.02 1 368 48 49 ALA HA H 3.804 0.02 1 369 48 49 ALA HB H 0.52 0.02 1 370 48 49 ALA CA C 52.139 0.3 1 371 48 49 ALA CB C 18.742 0.3 1 372 48 49 ALA N N 120.968 0.3 1 373 49 50 ALA H H 7.702 0.02 1 374 49 50 ALA HA H 3.375 0.02 1 375 49 50 ALA HB H 1.089 0.02 1 376 49 50 ALA CA C 54.084 0.3 1 377 49 50 ALA CB C 18.307 0.3 1 378 49 50 ALA N N 122.299 0.3 1 379 50 51 THR H H 7.224 0.02 1 380 50 51 THR HA H 4.7 0.02 1 381 50 51 THR HB H 3.753 0.02 1 382 50 51 THR HG2 H 0.85 0.02 1 383 50 51 THR CA C 59.454 0.3 1 384 50 51 THR CB C 70.545 0.3 1 385 50 51 THR CG2 C 19.323 0.3 1 386 50 51 THR N N 119.283 0.3 1 387 51 52 PRO HA H 4.372 0.02 1 388 51 52 PRO HB2 H 2.231 0.02 2 389 51 52 PRO HB3 H 1.661 0.02 2 390 51 52 PRO HG2 H 1.896 0.02 2 391 51 52 PRO HG3 H 1.69 0.02 2 392 51 52 PRO HD2 H 3.707 0.02 2 393 51 52 PRO HD3 H 3.497 0.02 2 394 51 52 PRO CA C 62.618 0.3 1 395 51 52 PRO CB C 32.733 0.3 1 396 51 52 PRO CG C 27.373 0.3 1 397 51 52 PRO CD C 51.908 0.3 1 398 52 53 VAL H H 8.316 0.02 1 399 52 53 VAL HA H 3.464 0.02 1 400 52 53 VAL HB H 1.661 0.02 1 401 52 53 VAL HG1 H 0.564 0.02 1 402 52 53 VAL HG2 H 0.803 0.02 1 403 52 53 VAL CA C 63.976 0.3 1 404 52 53 VAL CB C 30.949 0.3 1 405 52 53 VAL CG1 C 20.28 0.3 1 406 52 53 VAL CG2 C 21.649 0.3 1 407 52 53 VAL N N 121.012 0.3 1 408 53 54 GLY H H 9.234 0.02 1 409 53 54 GLY HA2 H 3.612 0.02 2 410 53 54 GLY HA3 H 4.108 0.02 2 411 53 54 GLY CA C 44.124 0.3 1 412 53 54 GLY N N 114.067 0.3 1 413 54 55 THR H H 7.437 0.02 1 414 54 55 THR HA H 4.468 0.02 1 415 54 55 THR HB H 4.181 0.02 1 416 54 55 THR HG2 H 0.899 0.02 1 417 54 55 THR CA C 59.59 0.3 1 418 54 55 THR CB C 72.123 0.3 1 419 54 55 THR CG2 C 20.909 0.3 1 420 54 55 THR N N 108.503 0.3 1 421 55 56 ALA H H 7.767 0.02 1 422 55 56 ALA HA H 5.707 0.02 1 423 55 56 ALA HB H 0.852 0.02 1 424 55 56 ALA CA C 49.58 0.3 1 425 55 56 ALA CB C 22.441 0.3 1 426 55 56 ALA N N 116.919 0.3 1 427 56 57 LYS H H 8.562 0.02 1 428 56 57 LYS HA H 4.516 0.02 1 429 56 57 LYS HB2 H 1.609 0.02 2 430 56 57 LYS HB3 H 1.518 0.02 2 431 56 57 LYS HG2 H 1.233 0.02 2 432 56 57 LYS HG3 H 1.178 0.02 2 433 56 57 LYS HD2 H 1.512 0.02 2 434 56 57 LYS HD3 H 1.439 0.02 2 435 56 57 LYS HE2 H 2.904 0.02 2 436 56 57 LYS HE3 H 2.704 0.02 2 437 56 57 LYS CA C 54.972 0.3 1 438 56 57 LYS CB C 36.005 0.3 1 439 56 57 LYS CG C 24.837 0.3 1 440 56 57 LYS CD C 29.017 0.3 1 441 56 57 LYS CE C 42.136 0.3 1 442 56 57 LYS N N 122.068 0.3 1 443 57 58 THR H H 8.727 0.02 1 444 57 58 THR HA H 4.943 0.02 1 445 57 58 THR HB H 3.614 0.02 1 446 57 58 THR HG2 H 0.851 0.02 1 447 57 58 THR CA C 62.926 0.3 1 448 57 58 THR CB C 67.622 0.3 1 449 57 58 THR CG2 C 23.84 0.3 1 450 57 58 THR N N 127.206 0.3 1 451 58 59 VAL H H 9.508 0.02 1 452 58 59 VAL HA H 4.231 0.02 1 453 58 59 VAL HB H 1.901 0.02 1 454 58 59 VAL HG1 H 0.852 0.02 1 455 58 59 VAL HG2 H 0.899 0.02 1 456 58 59 VAL CA C 60.471 0.3 1 457 58 59 VAL CB C 34.84 0.3 1 458 58 59 VAL CG1 C 20.997 0.3 1 459 58 59 VAL CG2 C 19.818 0.3 1 460 58 59 VAL N N 128.657 0.3 1 461 59 60 LYS H H 8.791 0.02 1 462 59 60 LYS HA H 4.231 0.02 1 463 59 60 LYS HB2 H 1.707 0.02 1 464 59 60 LYS HB3 H 1.707 0.02 1 465 59 60 LYS HG2 H 0.899 0.02 2 466 59 60 LYS HG3 H 0.161 0.02 2 467 59 60 LYS HD2 H 1.232 0.02 2 468 59 60 LYS HD3 H 1.181 0.02 2 469 59 60 LYS HE2 H 2.563 0.02 2 470 59 60 LYS HE3 H 2.304 0.02 2 471 59 60 LYS CA C 56.147 0.3 1 472 59 60 LYS CB C 33.273 0.3 1 473 59 60 LYS CG C 24.852 0.3 1 474 59 60 LYS CD C 28.957 0.3 1 475 59 60 LYS CE C 41.789 0.3 1 476 59 60 LYS N N 129.449 0.3 1 477 60 61 CYS H H 8.806 0.02 1 478 60 61 CYS HA H 4.469 0.02 1 479 60 61 CYS HB2 H 2.849 0.02 2 480 60 61 CYS HB3 H 2.421 0.02 2 481 60 61 CYS CA C 57.673 0.3 1 482 60 61 CYS CB C 28.531 0.3 1 483 60 61 CYS N N 129.1 0.3 1 484 61 62 ASP H H 8.852 0.02 1 485 61 62 ASP HA H 3.992 0.02 1 486 61 62 ASP HB2 H 3.039 0.02 2 487 61 62 ASP HB3 H 2.85 0.02 2 488 61 62 ASP CA C 56.82 0.3 1 489 61 62 ASP CB C 38.986 0.3 1 490 61 62 ASP N N 124.845 0.3 1 491 62 63 GLU H H 8.455 0.02 1 492 62 63 GLU HA H 4.182 0.02 1 493 62 63 GLU HB2 H 2.232 0.02 2 494 62 63 GLU HB3 H 1.757 0.02 2 495 62 63 GLU HG2 H 2.213 0.02 2 496 62 63 GLU HG3 H 2.143 0.02 2 497 62 63 GLU CA C 56.394 0.3 1 498 62 63 GLU CB C 29.179 0.3 1 499 62 63 GLU CG C 35.892 0.3 1 500 62 63 GLU N N 121.184 0.3 1 501 63 64 THR H H 7.834 0.02 1 502 63 64 THR HA H 4.325 0.02 1 503 63 64 THR HB H 3.465 0.02 1 504 63 64 THR HG2 H 0.661 0.02 1 505 63 64 THR CA C 62.393 0.3 1 506 63 64 THR CB C 71.146 0.3 1 507 63 64 THR CG2 C 21.118 0.3 1 508 63 64 THR N N 119.318 0.3 1 509 64 65 TYR H H 8.223 0.02 1 510 64 65 TYR HA H 4.372 0.02 1 511 64 65 TYR HB2 H 2.373 0.02 2 512 64 65 TYR HB3 H 2.613 0.02 2 513 64 65 TYR CA C 58.211 0.3 1 514 64 65 TYR CB C 38.837 0.3 1 515 64 65 TYR N N 124.979 0.3 1 516 65 66 ILE H H 8.627 0.02 1 517 65 66 ILE HA H 4.608 0.02 1 518 65 66 ILE HB H 1.661 0.02 1 519 65 66 ILE HG12 H 0.854 0.02 2 520 65 66 ILE HG13 H 0.565 0.02 2 521 65 66 ILE HG2 H -0.578 0.02 1 522 65 66 ILE HD1 H -0.242 0.02 1 523 65 66 ILE CA C 57.241 0.3 1 524 65 66 ILE CB C 35.343 0.3 1 525 65 66 ILE CG1 C 27.61 0.3 1 526 65 66 ILE CD1 C 15.87 0.3 1 527 65 66 ILE N N 126.31 0.3 1 528 66 67 ILE H H 8.68 0.02 1 529 66 67 ILE HA H 4.181 0.02 1 530 66 67 ILE HB H 1.614 0.02 1 531 66 67 ILE HG12 H 1.135 0.02 1 532 66 67 ILE HG13 H 1.135 0.02 1 533 66 67 ILE HG2 H 0.567 0.02 1 534 66 67 ILE HD1 H 0.423 0.02 1 535 66 67 ILE CA C 59.424 0.3 1 536 66 67 ILE CB C 38.722 0.3 1 537 66 67 ILE CG1 C 25.083 0.3 1 538 66 67 ILE CG2 C 17.461 0.3 1 539 66 67 ILE CD1 C 13.413 0.3 1 540 66 67 ILE N N 127.422 0.3 1 541 67 68 HIS H H 9.104 0.02 1 542 67 68 HIS HA H 4.371 0.02 1 543 67 68 HIS HB2 H 3.181 0.02 2 544 67 68 HIS HB3 H 2.566 0.02 2 545 67 68 HIS CA C 56.191 0.3 1 546 67 68 HIS CB C 30.114 0.3 1 547 67 68 HIS N N 129.253 0.3 1 548 68 69 ALA H H 8.334 0.02 1 549 68 69 ALA HA H 4.896 0.02 1 550 68 69 ALA HB H 0.993 0.02 1 551 68 69 ALA CA C 49.993 0.3 1 552 68 69 ALA CB C 22.096 0.3 1 553 68 69 ALA N N 128.419 0.3 1 554 69 70 VAL H H 7.97 0.02 1 555 69 70 VAL HA H 4.184 0.02 1 556 69 70 VAL HB H 2.084 0.02 1 557 69 70 VAL HG1 H 0.472 0.02 1 558 69 70 VAL HG2 H 0.9 0.02 1 559 69 70 VAL CA C 60.853 0.3 1 560 69 70 VAL CB C 29.958 0.3 1 561 69 70 VAL CG1 C 21.878 0.3 1 562 69 70 VAL CG2 C 22.983 0.3 1 563 69 70 VAL N N 125.759 0.3 1 564 70 71 GLY H H 8.872 0.02 1 565 70 71 GLY HA2 H 4.036 0.02 2 566 70 71 GLY HA3 H 3.376 0.02 2 567 70 71 GLY CA C 42.636 0.3 1 568 70 71 GLY N N 114.451 0.3 1 569 71 72 PRO HA H 3.897 0.02 1 570 71 72 PRO HB2 H 1.802 0.02 2 571 71 72 PRO HB3 H 0.757 0.02 2 572 71 72 PRO HG2 H 2.421 0.02 2 573 71 72 PRO HG3 H 1.425 0.02 2 574 71 72 PRO HD2 H 3.611 0.02 2 575 71 72 PRO HD3 H 2.658 0.02 2 576 71 72 PRO CA C 61.735 0.3 1 577 71 72 PRO CB C 31.989 0.3 1 578 71 72 PRO CG C 26 0.3 1 579 71 72 PRO CD C 48.299 0.3 1 580 72 73 ASN H H 8.191 0.02 1 581 72 73 ASN HA H 4.421 0.02 1 582 72 73 ASN HB2 H 2.802 0.02 2 583 72 73 ASN HB3 H 1.327 0.02 2 584 72 73 ASN CA C 50.69 0.3 1 585 72 73 ASN CB C 37.137 0.3 1 586 72 73 ASN N N 117.117 0.3 1 587 73 74 PHE H H 9.327 0.02 1 588 73 74 PHE HA H 4.085 0.02 1 589 73 74 PHE HB2 H 3.09 0.02 2 590 73 74 PHE HB3 H 2.898 0.02 2 591 73 74 PHE CA C 61.744 0.3 1 592 73 74 PHE CB C 38.492 0.3 1 593 73 74 PHE N N 123.391 0.3 1 594 74 75 ASN H H 8.182 0.02 1 595 74 75 ASN HA H 4.419 0.02 1 596 74 75 ASN HB2 H 2.562 0.02 2 597 74 75 ASN HB3 H 2.518 0.02 2 598 74 75 ASN CA C 56.123 0.3 1 599 74 75 ASN CB C 39.034 0.3 1 600 74 75 ASN N N 116.223 0.3 1 601 75 76 ASN H H 7.901 0.02 1 602 75 76 ASN HA H 4.896 0.02 1 603 75 76 ASN HB2 H 2.802 0.02 2 604 75 76 ASN HB3 H 2.547 0.02 2 605 75 76 ASN CA C 52.143 0.3 1 606 75 76 ASN CB C 39.938 0.3 1 607 75 76 ASN N N 114.81 0.3 1 608 76 77 THR H H 7.059 0.02 1 609 76 77 THR HA H 4.562 0.02 1 610 76 77 THR HB H 3.611 0.02 1 611 76 77 THR HG2 H 0.758 0.02 1 612 76 77 THR CA C 59.83 0.3 1 613 76 77 THR CB C 70.033 0.3 1 614 76 77 THR N N 114.894 0.3 1 615 77 78 SER H H 8.135 0.02 1 616 77 78 SER HA H 4.609 0.02 1 617 77 78 SER HB2 H 4.326 0.02 1 618 77 78 SER HB3 H 4.326 0.02 1 619 77 78 SER CA C 57.107 0.3 1 620 77 78 SER CB C 64.975 0.3 1 621 77 78 SER N N 118.528 0.3 1 622 78 79 GLU H H 8.962 0.02 1 623 78 79 GLU HA H 4.237 0.02 1 624 78 79 GLU HB2 H 2.136 0.02 1 625 78 79 GLU HB3 H 2.136 0.02 1 626 78 79 GLU HG2 H 2.492 0.02 2 627 78 79 GLU HG3 H 2.422 0.02 2 628 78 79 GLU CA C 59.595 0.3 1 629 78 79 GLU CB C 28.336 0.3 1 630 78 79 GLU CG C 35.212 0.3 1 631 78 79 GLU N N 121.323 0.3 1 632 79 80 ALA H H 8.765 0.02 1 633 79 80 ALA HA H 4.182 0.02 1 634 79 80 ALA HB H 1.375 0.02 1 635 79 80 ALA CA C 55.227 0.3 1 636 79 80 ALA CB C 18.328 0.3 1 637 79 80 ALA N N 122.422 0.3 1 638 80 81 GLU H H 7.759 0.02 1 639 80 81 GLU HA H 3.752 0.02 1 640 80 81 GLU HB2 H 1.944 0.02 2 641 80 81 GLU HB3 H 1.877 0.02 2 642 80 81 GLU HG2 H 2.134 0.02 2 643 80 81 GLU HG3 H 2.042 0.02 2 644 80 81 GLU CA C 59.035 0.3 1 645 80 81 GLU CB C 29.561 0.3 1 646 80 81 GLU CG C 37.106 0.3 1 647 80 81 GLU N N 119.564 0.3 1 648 81 82 GLY H H 8.702 0.02 1 649 81 82 GLY HA2 H 3.328 0.02 2 650 81 82 GLY HA3 H 3.288 0.02 2 651 81 82 GLY CA C 46.993 0.3 1 652 81 82 GLY N N 106.784 0.3 1 653 82 83 ASP H H 8.377 0.02 1 654 82 83 ASP HA H 4.42 0.02 1 655 82 83 ASP HB2 H 2.662 0.02 2 656 82 83 ASP HB3 H 2.802 0.02 2 657 82 83 ASP CA C 59.424 0.3 1 658 82 83 ASP CB C 42.455 0.3 1 659 82 83 ASP N N 122.465 0.3 1 660 83 84 ARG H H 7.063 0.02 1 661 83 84 ARG HA H 3.945 0.02 1 662 83 84 ARG HB2 H 2.038 0.02 1 663 83 84 ARG HB3 H 2.038 0.02 1 664 83 84 ARG HG2 H 1.899 0.02 1 665 83 84 ARG HG3 H 1.899 0.02 1 666 83 84 ARG HD2 H 3.132 0.02 1 667 83 84 ARG HD3 H 3.132 0.02 1 668 83 84 ARG CA C 58.726 0.3 1 669 83 84 ARG CB C 29.468 0.3 1 670 83 84 ARG CG C 26.438 0.3 1 671 83 84 ARG CD C 43.088 0.3 1 672 83 84 ARG N N 117.099 0.3 1 673 84 85 ASP H H 8.189 0.02 1 674 84 85 ASP HA H 4.464 0.02 1 675 84 85 ASP HB2 H 2.326 0.02 2 676 84 85 ASP HB3 H 2.086 0.02 2 677 84 85 ASP CA C 56.996 0.3 1 678 84 85 ASP CB C 40.134 0.3 1 679 84 85 ASP N N 121.983 0.3 1 680 85 86 LEU H H 8.606 0.02 1 681 85 86 LEU HA H 3.896 0.02 1 682 85 86 LEU HB2 H 2.138 0.02 2 683 85 86 LEU HB3 H 1.426 0.02 2 684 85 86 LEU HG H 1.181 0.02 1 685 85 86 LEU HD1 H 1.046 0.02 1 686 85 86 LEU HD2 H 1.046 0.02 1 687 85 86 LEU CA C 57.05 0.3 1 688 85 86 LEU CB C 41.461 0.3 1 689 85 86 LEU CG C 26.193 0.3 1 690 85 86 LEU CD1 C 23.391 0.3 1 691 85 86 LEU N N 124.607 0.3 1 692 86 87 ALA H H 7.357 0.02 1 693 86 87 ALA HA H 3.778 0.02 1 694 86 87 ALA HB H 1.04 0.02 1 695 86 87 ALA CA C 55.495 0.3 1 696 86 87 ALA CB C 17.557 0.3 1 697 86 87 ALA N N 121.24 0.3 1 698 87 88 ALA H H 7.973 0.02 1 699 87 88 ALA HA H 3.847 0.02 1 700 87 88 ALA HB H 1.562 0.02 1 701 87 88 ALA CA C 55.077 0.3 1 702 87 88 ALA CB C 18.22 0.3 1 703 87 88 ALA N N 120.081 0.3 1 704 88 89 ALA H H 8.25 0.02 1 705 88 89 ALA HA H 3.515 0.02 1 706 88 89 ALA HB H 1.041 0.02 1 707 88 89 ALA CA C 54.933 0.3 1 708 88 89 ALA CB C 17.044 0.3 1 709 88 89 ALA N N 122.83 0.3 1 710 89 90 TYR H H 7.361 0.02 1 711 89 90 TYR HA H 4.087 0.02 1 712 89 90 TYR HB2 H 2.898 0.02 2 713 89 90 TYR HB3 H 2.566 0.02 2 714 89 90 TYR CA C 62.719 0.3 1 715 89 90 TYR CB C 38.698 0.3 1 716 89 90 TYR N N 113.396 0.3 1 717 90 91 ARG H H 8.205 0.02 1 718 90 91 ARG HA H 3.851 0.02 1 719 90 91 ARG HB2 H 1.993 0.02 2 720 90 91 ARG HB3 H 1.902 0.02 2 721 90 91 ARG HG2 H 1.803 0.02 1 722 90 91 ARG HG3 H 1.803 0.02 1 723 90 91 ARG HD2 H 3.089 0.02 1 724 90 91 ARG HD3 H 3.089 0.02 1 725 90 91 ARG CA C 60.667 0.3 1 726 90 91 ARG CB C 29.429 0.3 1 727 90 91 ARG CG C 26.68 0.3 1 728 90 91 ARG CD C 43.071 0.3 1 729 90 91 ARG N N 120.914 0.3 1 730 91 92 ALA H H 8.489 0.02 1 731 91 92 ALA HA H 4.178 0.02 1 732 91 92 ALA HB H 1.517 0.02 1 733 91 92 ALA CA C 54.313 0.3 1 734 91 92 ALA CB C 17.641 0.3 1 735 91 92 ALA N N 124.75 0.3 1 736 92 93 VAL H H 7.614 0.02 1 737 92 93 VAL HA H 3.135 0.02 1 738 92 93 VAL HB H 2.469 0.02 1 739 92 93 VAL HG1 H 0.899 0.02 1 740 92 93 VAL HG2 H 0.852 0.02 1 741 92 93 VAL CA C 66.897 0.3 1 742 92 93 VAL CB C 31.168 0.3 1 743 92 93 VAL CG1 C 23.916 0.3 1 744 92 93 VAL CG2 C 21.978 0.3 1 745 92 93 VAL N N 120.251 0.3 1 746 93 94 ALA H H 8.038 0.02 1 747 93 94 ALA HA H 3.614 0.02 1 748 93 94 ALA HB H 1.233 0.02 1 749 93 94 ALA CA C 55.299 0.3 1 750 93 94 ALA CB C 18.122 0.3 1 751 93 94 ALA N N 122.224 0.3 1 752 94 95 ALA H H 8.009 0.02 1 753 94 95 ALA HA H 4.088 0.02 1 754 94 95 ALA HB H 1.47 0.02 1 755 94 95 ALA CA C 54.811 0.3 1 756 94 95 ALA CB C 17.63 0.3 1 757 94 95 ALA N N 118.751 0.3 1 758 95 96 GLU H H 7.523 0.02 1 759 95 96 GLU HA H 4.04 0.02 1 760 95 96 GLU HB2 H 2.134 0.02 2 761 95 96 GLU HB3 H 1.993 0.02 2 762 95 96 GLU HG2 H 2.374 0.02 1 763 95 96 GLU HG3 H 2.374 0.02 1 764 95 96 GLU CA C 57.797 0.3 1 765 95 96 GLU CB C 28.494 0.3 1 766 95 96 GLU CG C 33.877 0.3 1 767 95 96 GLU N N 119.726 0.3 1 768 96 97 ILE H H 7.976 0.02 1 769 96 97 ILE HA H 3.279 0.02 1 770 96 97 ILE HB H 1.996 0.02 1 771 96 97 ILE HG12 H 1.279 0.02 1 772 96 97 ILE HG13 H 1.279 0.02 1 773 96 97 ILE HG2 H 0.757 0.02 1 774 96 97 ILE HD1 H 0.519 0.02 1 775 96 97 ILE CA C 63.747 0.3 1 776 96 97 ILE CB C 36.656 0.3 1 777 96 97 ILE CG1 C 28.508 0.3 1 778 96 97 ILE CG2 C 16.975 0.3 1 779 96 97 ILE CD1 C 13.892 0.3 1 780 96 97 ILE N N 119.816 0.3 1 781 97 98 ASN H H 8.147 0.02 1 782 97 98 ASN HA H 4.418 0.02 1 783 97 98 ASN HB2 H 2.755 0.02 2 784 97 98 ASN HB3 H 2.66 0.02 2 785 97 98 ASN CA C 54.963 0.3 1 786 97 98 ASN CB C 37.341 0.3 1 787 97 98 ASN N N 116.714 0.3 1 788 98 99 ARG H H 8.315 0.02 1 789 98 99 ARG HA H 3.993 0.02 1 790 98 99 ARG HB2 H 1.851 0.02 1 791 98 99 ARG HB3 H 1.851 0.02 1 792 98 99 ARG HG2 H 1.515 0.02 2 793 98 99 ARG HG3 H 1.372 0.02 2 794 98 99 ARG HD2 H 2.696 0.02 1 795 98 99 ARG HD3 H 2.696 0.02 1 796 98 99 ARG CA C 59.193 0.3 1 797 98 99 ARG CB C 30.578 0.3 1 798 98 99 ARG CG C 27.843 0.3 1 799 98 99 ARG CD C 43.127 0.3 1 800 98 99 ARG N N 122.789 0.3 1 801 99 100 LEU H H 7.644 0.02 1 802 99 100 LEU HA H 4.135 0.02 1 803 99 100 LEU HB2 H 1.369 0.02 2 804 99 100 LEU HB3 H 1.041 0.02 2 805 99 100 LEU HG H 0.28 0.02 1 806 99 100 LEU HD1 H 1.269 0.02 1 807 99 100 LEU HD2 H 0.661 0.02 1 808 99 100 LEU CA C 54.219 0.3 1 809 99 100 LEU CB C 41.899 0.3 1 810 99 100 LEU CG C 25.329 0.3 1 811 99 100 LEU CD1 C 26.86 0.3 1 812 99 100 LEU CD2 C 21.773 0.3 1 813 99 100 LEU N N 117.553 0.3 1 814 100 101 SER H H 7.596 0.02 1 815 100 101 SER HA H 3.903 0.02 1 816 100 101 SER HB2 H 3.945 0.02 2 817 100 101 SER HB3 H 3.847 0.02 2 818 100 101 SER CA C 58.169 0.3 1 819 100 101 SER CB C 60.999 0.3 1 820 100 101 SER N N 115.659 0.3 1 821 101 102 ILE H H 7.587 0.02 1 822 101 102 ILE HA H 3.897 0.02 1 823 101 102 ILE HG12 H 0.804 0.02 1 824 101 102 ILE HG13 H 0.804 0.02 1 825 101 102 ILE HG2 H 0.755 0.02 1 826 101 102 ILE HD1 H 0.232 0.02 1 827 101 102 ILE CA C 61.246 0.3 1 828 101 102 ILE CB C 38.603 0.3 1 829 101 102 ILE CG1 C 19.573 0.3 1 830 101 102 ILE CG2 C 16.246 0.3 1 831 101 102 ILE CD1 C 13.508 0.3 1 832 101 102 ILE N N 120.659 0.3 1 833 102 103 SER H H 9.193 0.02 1 834 102 103 SER HA H 4.324 0.02 1 835 102 103 SER HB2 H 3.926 0.02 2 836 102 103 SER HB3 H 3.838 0.02 2 837 102 103 SER CA C 60.399 0.3 1 838 102 103 SER CB C 64.021 0.3 1 839 102 103 SER N N 122.596 0.3 1 840 103 104 SER H H 7.429 0.02 1 841 103 104 SER HA H 5.609 0.02 1 842 103 104 SER HB2 H 3.922 0.02 2 843 103 104 SER HB3 H 3.823 0.02 2 844 103 104 SER CA C 56.048 0.3 1 845 103 104 SER CB C 65.944 0.3 1 846 103 104 SER N N 114.775 0.3 1 847 104 105 VAL H H 8.664 0.02 1 848 104 105 VAL HA H 5.131 0.02 1 849 104 105 VAL HB H 1.661 0.02 1 850 104 105 VAL HG1 H 0.756 0.02 1 851 104 105 VAL HG2 H 0.657 0.02 1 852 104 105 VAL CA C 58.337 0.3 1 853 104 105 VAL CB C 35.271 0.3 1 854 104 105 VAL CG1 C 20.037 0.3 1 855 104 105 VAL CG2 C 21.993 0.3 1 856 104 105 VAL N N 118.723 0.3 1 857 105 106 ALA H H 8.886 0.02 1 858 105 106 ALA HA H 5.468 0.02 1 859 105 106 ALA HB H 1.423 0.02 1 860 105 106 ALA CA C 49.629 0.3 1 861 105 106 ALA CB C 22.49 0.3 1 862 105 106 ALA N N 133.041 0.3 1 863 106 107 ILE H H 9.414 0.02 1 864 106 107 ILE HA H 5.089 0.02 1 865 106 107 ILE HB H 1.612 0.02 1 866 106 107 ILE HG2 H 1.088 0.02 1 867 106 107 ILE HD1 H 0.993 0.02 1 868 106 107 ILE CA C 56.823 0.3 1 869 106 107 ILE CB C 44.391 0.3 1 870 106 107 ILE CG1 C 27.375 0.3 1 871 106 107 ILE CG2 C 16.02 0.3 1 872 106 107 ILE CD1 C 15.116 0.3 1 873 106 107 ILE N N 123.16 0.3 1 874 107 108 PRO HA H 5.516 0.02 1 875 107 108 PRO HB2 H 2.154 0.02 2 876 107 108 PRO HB3 H 1.994 0.02 2 877 107 108 PRO HG2 H 2.1 0.02 2 878 107 108 PRO HG3 H 1.702 0.02 2 879 107 108 PRO HD2 H 4.039 0.02 2 880 107 108 PRO HD3 H 3.609 0.02 2 881 107 108 PRO CA C 60.834 0.3 1 882 107 108 PRO CB C 31.984 0.3 1 883 107 108 PRO CG C 25.423 0.3 1 884 107 108 PRO CD C 50.474 0.3 1 885 108 109 LEU H H 8.791 0.02 1 886 108 109 LEU HA H 4.683 0.02 1 887 108 109 LEU HB2 H 2.041 0.02 2 888 108 109 LEU HB3 H 1.132 0.02 2 889 108 109 LEU HG H 0.9 0.02 1 890 108 109 LEU HD1 H 0.755 0.02 1 891 108 109 LEU HD2 H 0.755 0.02 1 892 108 109 LEU CA C 53.824 0.3 1 893 108 109 LEU CB C 41.019 0.3 1 894 108 109 LEU CG C 27.902 0.3 1 895 108 109 LEU CD1 C 24.017 0.3 1 896 108 109 LEU CD2 C 23.694 0.3 1 897 108 109 LEU N N 113.563 0.3 1 898 109 110 LEU H H 8.213 0.02 1 899 109 110 LEU HA H 4.186 0.02 1 900 109 110 LEU HB2 H 1.47 0.02 2 901 109 110 LEU HB3 H 0.999 0.02 2 902 109 110 LEU HG H 1.425 0.02 1 903 109 110 LEU HD1 H -0.148 0.02 1 904 109 110 LEU HD2 H 0.659 0.02 1 905 109 110 LEU CA C 54.753 0.3 1 906 109 110 LEU CB C 41.988 0.3 1 907 109 110 LEU CG C 28.414 0.3 1 908 109 110 LEU CD1 C 24.923 0.3 1 909 109 110 LEU CD2 C 24.638 0.3 1 910 109 110 LEU N N 128.269 0.3 1 911 110 111 SER H H 10.047 0.02 1 912 110 111 SER CA C 61.827 0.3 1 913 110 111 SER CB C 59.101 0.3 1 914 110 111 SER N N 113.573 0.3 1 915 111 112 THR H H 7.064 0.02 1 916 111 112 THR CA C 60.668 0.3 1 917 111 112 THR CB C 70.211 0.3 1 918 111 112 THR N N 131.51 0.3 1 919 112 113 GLY HA2 H 4.358 0.02 1 920 112 113 GLY CA C 45.326 0.3 1 921 114 115 PHE HA H 4.942 0.02 1 922 114 115 PHE HB2 H 4.23 0.02 2 923 114 115 PHE HB3 H 3.397 0.02 2 924 114 115 PHE CA C 55.221 0.3 1 925 114 115 PHE CB C 37.655 0.3 1 926 115 116 SER H H 8.408 0.02 1 927 115 116 SER HA H 4.23 0.02 1 928 115 116 SER HB2 H 4.468 0.02 2 929 115 116 SER HB3 H 4.043 0.02 2 930 115 116 SER CA C 61.277 0.3 1 931 115 116 SER CB C 65.208 0.3 1 932 115 116 SER N N 115.312 0.3 1 933 116 117 ALA H H 8.201 0.02 1 934 116 117 ALA HA H 4.217 0.02 1 935 116 117 ALA HB H 1.231 0.02 1 936 116 117 ALA CA C 52.095 0.3 1 937 116 117 ALA CB C 16.95 0.3 1 938 116 117 ALA N N 123.823 0.3 1 939 117 118 GLY H H 8.204 0.02 1 940 117 118 GLY HA2 H 4.041 0.02 2 941 117 118 GLY HA3 H 3.659 0.02 2 942 117 118 GLY CA C 45.585 0.3 1 943 117 118 GLY N N 106.186 0.3 1 944 118 119 LYS H H 6.782 0.02 1 945 118 119 LYS HA H 4.422 0.02 1 946 118 119 LYS HB2 H 1.564 0.02 2 947 118 119 LYS HB3 H 1.417 0.02 2 948 118 119 LYS HG2 H 1.325 0.02 2 949 118 119 LYS HG3 H 1.23 0.02 2 950 118 119 LYS HD2 H 1.517 0.02 1 951 118 119 LYS HD3 H 1.517 0.02 1 952 118 119 LYS HE2 H 2.85 0.02 1 953 118 119 LYS HE3 H 2.85 0.02 1 954 118 119 LYS CA C 53.96 0.3 1 955 118 119 LYS CB C 34.298 0.3 1 956 118 119 LYS CG C 25.03 0.3 1 957 118 119 LYS CD C 28.542 0.3 1 958 118 119 LYS CE C 42.025 0.3 1 959 118 119 LYS N N 119.726 0.3 1 960 121 122 VAL H H 7.739 0.02 1 961 121 122 VAL HA H 2.851 0.02 1 962 121 122 VAL HB H 1.374 0.02 1 963 121 122 VAL HG1 H 0.184 0.02 1 964 121 122 VAL HG2 H -0.529 0.02 1 965 121 122 VAL CA C 67.598 0.3 1 966 121 122 VAL CB C 30.021 0.3 1 967 121 122 VAL CG1 C 18.928 0.3 1 968 121 122 VAL CG2 C 20.582 0.3 1 969 121 122 VAL N N 122.474 0.3 1 970 122 123 HIS H H 8.547 0.02 1 971 122 123 HIS HA H 3.904 0.02 1 972 122 123 HIS HB2 H 2.854 0.02 2 973 122 123 HIS HB3 H 2.756 0.02 2 974 122 123 HIS CA C 60.626 0.3 1 975 122 123 HIS CB C 29.321 0.3 1 976 122 123 HIS N N 117.853 0.3 1 977 123 124 GLN H H 8.145 0.02 1 978 123 124 GLN HA H 3.801 0.02 1 979 123 124 GLN HB2 H 1.948 0.02 1 980 123 124 GLN HB3 H 1.948 0.02 1 981 123 124 GLN HG2 H 2.426 0.02 2 982 123 124 GLN HG3 H 2.468 0.02 2 983 123 124 GLN CA C 58.329 0.3 1 984 123 124 GLN CB C 28.067 0.3 1 985 123 124 GLN CG C 32.064 0.3 1 986 123 124 GLN N N 122.773 0.3 1 987 124 125 SER H H 8.735 0.02 1 988 124 125 SER HA H 4.23 0.02 1 989 124 125 SER HB2 H 3.943 0.02 1 990 124 125 SER HB3 H 3.943 0.02 1 991 124 125 SER CA C 61.586 0.3 1 992 124 125 SER CB C 64.385 0.3 1 993 124 125 SER N N 111.903 0.3 1 994 125 126 LEU H H 8.688 0.02 1 995 125 126 LEU HA H 3.9 0.02 1 996 125 126 LEU HB2 H 1.851 0.02 1 997 125 126 LEU HB3 H 1.851 0.02 1 998 125 126 LEU HG H 0.757 0.02 1 999 125 126 LEU HD1 H 0.723 0.02 1 1000 125 126 LEU HD2 H 0.723 0.02 1 1001 125 126 LEU CA C 56.958 0.3 1 1002 125 126 LEU CB C 41.816 0.3 1 1003 125 126 LEU CG C 27.464 0.3 1 1004 125 126 LEU CD1 C 23.854 0.3 1 1005 125 126 LEU CD2 C 23.534 0.3 1 1006 125 126 LEU N N 118.712 0.3 1 1007 126 127 SER H H 8.176 0.02 1 1008 126 127 SER HA H 3.799 0.02 1 1009 126 127 SER HB2 H 1.842 0.02 1 1010 126 127 SER HB3 H 1.842 0.02 1 1011 126 127 SER CA C 62.086 0.3 1 1012 126 127 SER N N 114.389 0.3 1 1013 127 128 HIS H H 6.942 0.02 1 1014 127 128 HIS HA H 4.706 0.02 1 1015 127 128 HIS HB2 H 3.088 0.02 1 1016 127 128 HIS HB3 H 3.088 0.02 1 1017 127 128 HIS CA C 57.837 0.3 1 1018 127 128 HIS CB C 32.114 0.3 1 1019 127 128 HIS N N 120.408 0.3 1 1020 128 129 LEU H H 7.708 0.02 1 1021 128 129 LEU HA H 2.611 0.02 1 1022 128 129 LEU HB2 H 1.137 0.02 1 1023 128 129 LEU HB3 H 1.137 0.02 1 1024 128 129 LEU HG H 0.899 0.02 1 1025 128 129 LEU HD1 H 0.664 0.02 1 1026 128 129 LEU CA C 59.474 0.3 1 1027 128 129 LEU CB C 41.475 0.3 1 1028 128 129 LEU CG C 28.249 0.3 1 1029 128 129 LEU CD1 C 23.952 0.3 1 1030 128 129 LEU N N 127.559 0.3 1 1031 129 130 LEU H H 8.301 0.02 1 1032 129 130 LEU HA H 3.802 0.02 1 1033 129 130 LEU HB2 H 1.471 0.02 2 1034 129 130 LEU HB3 H 1.042 0.02 2 1035 129 130 LEU HG H 0.329 0.02 1 1036 129 130 LEU HD1 H -0.194 0.02 1 1037 129 130 LEU CA C 56.591 0.3 1 1038 129 130 LEU CB C 40.901 0.3 1 1039 129 130 LEU CG C 25.41 0.3 1 1040 129 130 LEU CD1 C 21.392 0.3 1 1041 129 130 LEU N N 120.814 0.3 1 1042 130 131 ALA H H 7.342 0.02 1 1043 130 131 ALA HA H 3.944 0.02 1 1044 130 131 ALA HB H 1.423 0.02 1 1045 130 131 ALA CA C 54.564 0.3 1 1046 130 131 ALA CB C 18.256 0.3 1 1047 130 131 ALA N N 118.294 0.3 1 1048 131 132 ALA H H 7.213 0.02 1 1049 131 132 ALA HA H 4.228 0.02 1 1050 131 132 ALA HB H 1.423 0.02 1 1051 131 132 ALA CA C 53.617 0.3 1 1052 131 132 ALA CB C 19.841 0.3 1 1053 131 132 ALA N N 116.399 0.3 1 1054 132 133 MET H H 9.415 0.02 1 1055 132 133 MET HA H 4.513 0.02 1 1056 132 133 MET HB2 H 1.945 0.02 1 1057 132 133 MET HB3 H 1.945 0.02 1 1058 132 133 MET CA C 55.968 0.3 1 1059 132 133 MET CB C 30.626 0.3 1 1060 132 133 MET N N 119.685 0.3 1 1061 133 134 ASP H H 8.501 0.02 1 1062 133 134 ASP HA H 4.543 0.02 1 1063 133 134 ASP HB2 H 2.706 0.02 2 1064 133 134 ASP HB3 H 2.8 0.02 2 1065 133 134 ASP CA C 56.182 0.3 1 1066 133 134 ASP CB C 40.173 0.3 1 1067 133 134 ASP N N 121.429 0.3 1 1068 134 135 THR H H 7.589 0.02 1 1069 134 135 THR HA H 4.531 0.02 1 1070 134 135 THR HB H 4.483 0.02 1 1071 134 135 THR HG2 H 1.278 0.02 1 1072 134 135 THR CA C 62.061 0.3 1 1073 134 135 THR CB C 69.234 0.3 1 1074 134 135 THR CG2 C 20.922 0.3 1 1075 134 135 THR N N 109.298 0.3 1 1076 135 136 THR H H 7.807 0.02 1 1077 135 136 THR HA H 5.134 0.02 1 1078 135 136 THR HB H 4.134 0.02 1 1079 135 136 THR HG2 H 1.137 0.02 1 1080 135 136 THR CA C 59.848 0.3 1 1081 135 136 THR CB C 72.141 0.3 1 1082 135 136 THR CG2 C 21.839 0.3 1 1083 135 136 THR N N 115.857 0.3 1 1084 136 137 GLU H H 8.647 0.02 1 1085 136 137 GLU HA H 4.374 0.02 1 1086 136 137 GLU HB2 H 2.281 0.02 1 1087 136 137 GLU HB3 H 2.281 0.02 1 1088 136 137 GLU HG2 H 2.185 0.02 2 1089 136 137 GLU HG3 H 1.994 0.02 2 1090 136 137 GLU CA C 52.961 0.3 1 1091 136 137 GLU CB C 29.204 0.3 1 1092 136 137 GLU CG C 34.663 0.3 1 1093 136 137 GLU N N 116.421 0.3 1 1094 137 138 ALA H H 7.108 0.02 1 1095 137 138 ALA HA H 4.04 0.02 1 1096 137 138 ALA HB H 0.946 0.02 1 1097 137 138 ALA CA C 51.811 0.3 1 1098 137 138 ALA CB C 19.013 0.3 1 1099 137 138 ALA N N 123.121 0.3 1 1100 138 139 ARG H H 7.944 0.02 1 1101 138 139 ARG HA H 4.423 0.02 1 1102 138 139 ARG HB2 H 1.511 0.02 1 1103 138 139 ARG HB3 H 1.511 0.02 1 1104 138 139 ARG HG2 H 1.3 0.02 2 1105 138 139 ARG HG3 H 1.184 0.02 2 1106 138 139 ARG HD2 H 2.864 0.02 1 1107 138 139 ARG HD3 H 2.864 0.02 1 1108 138 139 ARG CA C 56.111 0.3 1 1109 138 139 ARG CB C 28.507 0.3 1 1110 138 139 ARG CG C 24.942 0.3 1 1111 138 139 ARG CD C 41.962 0.3 1 1112 138 139 ARG N N 118.546 0.3 1 1113 139 140 VAL H H 8.654 0.02 1 1114 139 140 VAL HA H 4.373 0.02 1 1115 139 140 VAL HB H 1.851 0.02 1 1116 139 140 VAL HG1 H 0.47 0.02 1 1117 139 140 VAL HG2 H 0.423 0.02 1 1118 139 140 VAL CA C 61.096 0.3 1 1119 139 140 VAL CB C 32.93 0.3 1 1120 139 140 VAL CG1 C 20.376 0.3 1 1121 139 140 VAL CG2 C 21.56 0.3 1 1122 139 140 VAL N N 129.511 0.3 1 1123 140 141 THR H H 9.428 0.02 1 1124 140 141 THR HA H 4.801 0.02 1 1125 140 141 THR HB H 4.038 0.02 1 1126 140 141 THR HG2 H 0.66 0.02 1 1127 140 141 THR CA C 59.883 0.3 1 1128 140 141 THR CB C 69.354 0.3 1 1129 140 141 THR CG2 C 24.176 0.3 1 1130 140 141 THR N N 127.009 0.3 1 1131 141 142 ILE H H 9.214 0.02 1 1132 141 142 ILE HA H 5.086 0.02 1 1133 141 142 ILE HB H 1.706 0.02 1 1134 141 142 ILE HG12 H 1.803 0.02 1 1135 141 142 ILE HG13 H 1.803 0.02 1 1136 141 142 ILE HG2 H 0.851 0.02 1 1137 141 142 ILE HD1 H 0.662 0.02 1 1138 141 142 ILE CA C 60.156 0.3 1 1139 141 142 ILE CB C 39.142 0.3 1 1140 141 142 ILE CG1 C 28.087 0.3 1 1141 141 142 ILE CG2 C 17.143 0.3 1 1142 141 142 ILE CD1 C 14.593 0.3 1 1143 141 142 ILE N N 130.332 0.3 1 1144 142 143 TYR H H 8.648 0.02 1 1145 142 143 TYR HA H 4.42 0.02 1 1146 142 143 TYR HB2 H 2.567 0.02 2 1147 142 143 TYR HB3 H 2.526 0.02 2 1148 142 143 TYR CA C 56.096 0.3 1 1149 142 143 TYR CB C 38.951 0.3 1 1150 142 143 TYR N N 129.223 0.3 1 1151 145 146 ASP HA H 5.467 0.02 1 1152 145 146 ASP HB2 H 2.755 0.02 2 1153 145 146 ASP HB3 H 2.564 0.02 2 1154 145 146 ASP CA C 56.903 0.3 1 1155 145 146 ASP CB C 40.753 0.3 1 1156 146 147 LYS H H 8.793 0.02 1 1157 146 147 LYS HA H 5.128 0.02 1 1158 146 147 LYS HB2 H 1.414 0.02 1 1159 146 147 LYS HB3 H 1.414 0.02 1 1160 146 147 LYS HG2 H 1.281 0.02 1 1161 146 147 LYS HG3 H 1.281 0.02 1 1162 146 147 LYS HD2 H 1.473 0.02 1 1163 146 147 LYS HD3 H 1.473 0.02 1 1164 146 147 LYS HE2 H 2.993 0.02 1 1165 146 147 LYS HE3 H 2.993 0.02 1 1166 146 147 LYS CA C 55.435 0.3 1 1167 146 147 LYS CB C 31.161 0.3 1 1168 146 147 LYS CG C 26.48 0.3 1 1169 146 147 LYS CD C 26.729 0.3 1 1170 146 147 LYS CE C 42.848 0.3 1 1171 146 147 LYS N N 116.089 0.3 1 1172 147 148 THR HA H 4.181 0.02 1 1173 147 148 THR HB H 4.359 0.02 1 1174 147 148 THR HG2 H 1.279 0.02 1 1175 147 148 THR CA C 65.346 0.3 1 1176 147 148 THR CB C 68.057 0.3 1 1177 147 148 THR CG2 C 22.049 0.3 1 1178 148 149 TRP H H 8.266 0.02 1 1179 148 149 TRP HB2 H 3.373 0.02 2 1180 148 149 TRP HB3 H 3.137 0.02 2 1181 148 149 TRP HE1 H 10.124 0.02 1 1182 148 149 TRP CA C 59.349 0.3 1 1183 148 149 TRP CB C 28.461 0.3 1 1184 148 149 TRP N N 124.42 0.3 1 1185 149 150 GLU H H 8.108 0.02 1 1186 149 150 GLU HA H 3.707 0.02 1 1187 149 150 GLU HB2 H 2.374 0.02 1 1188 149 150 GLU HB3 H 2.374 0.02 1 1189 149 150 GLU HG2 H 1.944 0.02 1 1190 149 150 GLU HG3 H 1.944 0.02 1 1191 149 150 GLU CA C 59.914 0.3 1 1192 149 150 GLU CB C 29.948 0.3 1 1193 149 150 GLU CG C 35.073 0.3 1 1194 149 150 GLU N N 120.755 0.3 1 1195 150 151 GLN H H 7.651 0.02 1 1196 150 151 GLN HA H 3.948 0.02 1 1197 150 151 GLN HB2 H 2.135 0.02 1 1198 150 151 GLN HB3 H 2.135 0.02 1 1199 150 151 GLN HG2 H 2.421 0.02 1 1200 150 151 GLN HG3 H 2.421 0.02 1 1201 150 151 GLN CA C 58.457 0.3 1 1202 150 151 GLN CB C 28.053 0.3 1 1203 150 151 GLN CG C 33.335 0.3 1 1204 150 151 GLN N N 116.687 0.3 1 1205 151 152 LYS H H 7.868 0.02 1 1206 151 152 LYS HA H 3.992 0.02 1 1207 151 152 LYS HB2 H 1.848 0.02 2 1208 151 152 LYS HB3 H 1.612 0.02 2 1209 151 152 LYS HG2 H 1.422 0.02 2 1210 151 152 LYS HG3 H 1.375 0.02 2 1211 151 152 LYS HD2 H 1.594 0.02 2 1212 151 152 LYS HD3 H 1.347 0.02 2 1213 151 152 LYS HE2 H 2.866 0.02 2 1214 151 152 LYS HE3 H 2.751 0.02 2 1215 151 152 LYS CA C 59.599 0.3 1 1216 151 152 LYS CB C 32.707 0.3 1 1217 151 152 LYS CG C 25.214 0.3 1 1218 151 152 LYS CD C 29.286 0.3 1 1219 151 152 LYS CE C 41.734 0.3 1 1220 151 152 LYS N N 121.385 0.3 1 1221 152 153 ILE H H 8.68 0.02 1 1222 152 153 ILE HA H 3.362 0.02 1 1223 152 153 ILE HB H 1.737 0.02 1 1224 152 153 ILE HG12 H 1.788 0.02 2 1225 152 153 ILE HG13 H 0.757 0.02 2 1226 152 153 ILE HG2 H 0.733 0.02 1 1227 152 153 ILE HD1 H 0.851 0.02 1 1228 152 153 ILE CA C 64.814 0.3 1 1229 152 153 ILE CB C 38.569 0.3 1 1230 152 153 ILE CG1 C 27.377 0.3 1 1231 152 153 ILE CG2 C 18.218 0.3 1 1232 152 153 ILE CD1 C 14.255 0.3 1 1233 152 153 ILE N N 119.528 0.3 1 1234 153 154 LYS H H 8.386 0.02 1 1235 153 154 LYS HA H 3.659 0.02 1 1236 153 154 LYS HB2 H 1.802 0.02 1 1237 153 154 LYS HB3 H 1.802 0.02 1 1238 153 154 LYS HG2 H 1.611 0.02 2 1239 153 154 LYS HG3 H 1.28 0.02 2 1240 153 154 LYS HD2 H 1.537 0.02 1 1241 153 154 LYS HD3 H 1.537 0.02 1 1242 153 154 LYS HE2 H 2.778 0.02 1 1243 153 154 LYS HE3 H 2.778 0.02 1 1244 153 154 LYS CA C 60.56 0.3 1 1245 153 154 LYS CB C 32.072 0.3 1 1246 153 154 LYS CG C 26.055 0.3 1 1247 153 154 LYS CD C 29.28 0.3 1 1248 153 154 LYS CE C 41.726 0.3 1 1249 153 154 LYS N N 119.1 0.3 1 1250 154 155 THR H H 7.955 0.02 1 1251 154 155 THR HA H 4.181 0.02 1 1252 154 155 THR HB H 3.801 0.02 1 1253 154 155 THR HG2 H 1.136 0.02 1 1254 154 155 THR CA C 68.623 0.3 1 1255 154 155 THR CB C 66.935 0.3 1 1256 154 155 THR CG2 C 21.178 0.3 1 1257 154 155 THR N N 115.942 0.3 1 1258 155 156 VAL H H 7.316 0.02 1 1259 155 156 VAL HA H 3.56 0.02 1 1260 155 156 VAL HB H 1.992 0.02 1 1261 155 156 VAL HG1 H 0.944 0.02 1 1262 155 156 VAL HG2 H 0.614 0.02 1 1263 155 156 VAL CA C 66.251 0.3 1 1264 155 156 VAL CB C 31.207 0.3 1 1265 155 156 VAL CG1 C 22.398 0.3 1 1266 155 156 VAL CG2 C 20.751 0.3 1 1267 155 156 VAL N N 122.675 0.3 1 1268 156 157 LEU H H 8.124 0.02 1 1269 156 157 LEU HA H 3.66 0.02 1 1270 156 157 LEU HB2 H 1.804 0.02 1 1271 156 157 LEU HB3 H 1.357 0.02 1 1272 156 157 LEU HG H 0.569 0.02 1 1273 156 157 LEU HD1 H 0.329 0.02 1 1274 156 157 LEU CA C 57.587 0.3 1 1275 156 157 LEU CB C 40.767 0.3 1 1276 156 157 LEU CG C 25.607 0.3 1 1277 156 157 LEU CD1 C 22.14 0.3 1 1278 156 157 LEU N N 117.918 0.3 1 1279 157 158 GLN H H 8.149 0.02 1 1280 157 158 GLN HA H 4.039 0.02 1 1281 157 158 GLN HB2 H 2.087 0.02 2 1282 157 158 GLN HB3 H 2.051 0.02 2 1283 157 158 GLN HG2 H 2.421 0.02 2 1284 157 158 GLN HG3 H 2.377 0.02 2 1285 157 158 GLN CA C 57.552 0.3 1 1286 157 158 GLN CB C 28.415 0.3 1 1287 157 158 GLN CG C 33.869 0.3 1 1288 157 158 GLN N N 117.808 0.3 1 1289 158 159 ASN H H 7.613 0.02 1 1290 158 159 ASN HA H 4.658 0.02 1 1291 158 159 ASN HB2 H 2.748 0.02 2 1292 158 159 ASN HB3 H 2.666 0.02 1 1293 158 159 ASN CA C 53.459 0.3 1 1294 158 159 ASN CB C 38.884 0.3 1 1295 158 159 ASN N N 116.926 0.3 1 1296 159 160 ARG H H 7.535 0.02 1 1297 159 160 ARG HA H 4.088 0.02 1 1298 159 160 ARG HB2 H 1.706 0.02 1 1299 159 160 ARG HB3 H 1.706 0.02 1 1300 159 160 ARG HG2 H 1.47 0.02 1 1301 159 160 ARG HG3 H 1.47 0.02 1 1302 159 160 ARG HD2 H 2.898 0.02 2 1303 159 160 ARG HD3 H 2.801 0.02 2 1304 159 160 ARG CA C 57.077 0.3 1 1305 159 160 ARG CB C 29.913 0.3 1 1306 159 160 ARG CG C 26.944 0.3 1 1307 159 160 ARG CD C 43.425 0.3 1 1308 159 160 ARG N N 120.032 0.3 1 stop_ save_