data_30740 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the G4L/Q5K/G6S (NOS) Unmyristoylated Feline Immunodeficiency Virus Matrix Protein ; _BMRB_accession_number 30740 _BMRB_flat_file_name bmr30740.str _Entry_type original _Submission_date 2020-03-24 _Accession_date 2020-03-24 _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 Brown J. B. . 2 Summers H. R. . 3 Brown L. A. . 4 Marchant J. . . 5 Canova P. N. . 6 O'Hern C. T. . 7 Abbott S. T. . 8 Nyaunu C. . . 9 Maxwell S. . . 10 Johnson T. . . 11 Moser M. B. . 12 Ablan S. A. . 13 Carter H. . . 14 Freed E. O. . 15 Summers M. F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 334 "13C chemical shifts" 442 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-20 original BMRB . stop_ _Original_release_date 2020-04-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR Structure of the G4L/Q5K/G6S (NOS) Unmyristoylated Feline Immunodeficiency Virus Matrix Protein ; _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 Brown J. B. . 2 Summers H. R. . 3 Brown L. A. . 4 Marchant J. . . 5 Canova P. N. . 6 O'Hern C. T. . 7 Abbott S. T. . 8 Nyaunu C. . . 9 Maxwell S. . . 10 Johnson T. . . 11 Moser M. B. . 12 Ablan S. A. . 13 Carter H. . . 14 Freed E. O. . 15 Summers M. F. . 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_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Matrix protein' _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 14075.185 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GNLKSRDWKMAIKRCSNVAV GVGGKSKKFGEGNFRWAIRM ANVSTGREPGDIPETLDQLR LVICDLQERREKFGSSKEID MAIVTLKVFAVAGLLNMTVS TAAAAENMYSQMGLDTRPHH HHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ASN 3 4 LEU 4 5 LYS 5 6 SER 6 7 ARG 7 8 ASP 8 9 TRP 9 10 LYS 10 11 MET 11 12 ALA 12 13 ILE 13 14 LYS 14 15 ARG 15 16 CYS 16 17 SER 17 18 ASN 18 19 VAL 19 20 ALA 20 21 VAL 21 22 GLY 22 23 VAL 23 24 GLY 24 25 GLY 25 26 LYS 26 27 SER 27 28 LYS 28 29 LYS 29 30 PHE 30 31 GLY 31 32 GLU 32 33 GLY 33 34 ASN 34 35 PHE 35 36 ARG 36 37 TRP 37 38 ALA 38 39 ILE 39 40 ARG 40 41 MET 41 42 ALA 42 43 ASN 43 44 VAL 44 45 SER 45 46 THR 46 47 GLY 47 48 ARG 48 49 GLU 49 50 PRO 50 51 GLY 51 52 ASP 52 53 ILE 53 54 PRO 54 55 GLU 55 56 THR 56 57 LEU 57 58 ASP 58 59 GLN 59 60 LEU 60 61 ARG 61 62 LEU 62 63 VAL 63 64 ILE 64 65 CYS 65 66 ASP 66 67 LEU 67 68 GLN 68 69 GLU 69 70 ARG 70 71 ARG 71 72 GLU 72 73 LYS 73 74 PHE 74 75 GLY 75 76 SER 76 77 SER 77 78 LYS 78 79 GLU 79 80 ILE 80 81 ASP 81 82 MET 82 83 ALA 83 84 ILE 84 85 VAL 85 86 THR 86 87 LEU 87 88 LYS 88 89 VAL 89 90 PHE 90 91 ALA 91 92 VAL 92 93 ALA 93 94 GLY 94 95 LEU 95 96 LEU 96 97 ASN 97 98 MET 98 99 THR 99 100 VAL 100 101 SER 101 102 THR 102 103 ALA 103 104 ALA 104 105 ALA 105 106 ALA 106 107 GLU 107 108 ASN 108 109 MET 109 110 TYR 110 111 SER 111 112 GLN 112 113 MET 113 114 GLY 114 115 LEU 115 116 ASP 116 117 THR 117 118 ARG 118 119 PRO 119 120 HIS 120 121 HIS 121 122 HIS 122 123 HIS 123 124 HIS 124 125 HIS 125 126 HIS 126 127 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 _Gene_mnemonic $entity_1 FIV 11673 Viruses . Lentivirus FIV GAG stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L ammonium chloride, 300 uM [U-13C] Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 5 mM 'natural abundance' glucose 4 g/L '[U-99% 13C]' 'ammonium chloride' 1 g/L 'natural abundance' $entity_1 300 uM [U-13C] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 300 uM Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 5 mM 'natural abundance' $entity_1 300 uM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-13C; U-15N] Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 5 mM 'natural abundance' glucose 4 g/L '[U-99% 13C]' 'ammonium chloride' 1 g/L '[U-99% 15N]' $entity_1 300 uM '[U-13C; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-15N] Unmyristoylated G4L/Q5K/G6S (NOS) Feline Immunodeficiency Virus Matrix Protein, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 5 mM 'natural abundance' glucose 4 g/L 'natural abundance' 'ammonium chloride' 1 g/L '[U-99% 15N]' $entity_1 300 uM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRFx _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 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_4 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_4D_HSQC-NOESY-HMQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HSQC-NOESY-HMQC' _Sample_label $sample_3 save_ save_4D_HMQC-NOESY-HMQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HMQC-NOESY-HMQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HMQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HMQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_2 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' 5 . mM pH 8 . 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' 5 . mM pH 8 . pD pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 5 . pD 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 TMS C 13 'methyl carbons' ppm 0 external indirect . . . 1.0 water H 1 protons ppm 4.7 internal direct . . . 1.0 urea N 15 nitrogen ppm 0 external indirect . . . 1.0 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_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D 1H-15N NOESY' '4D HSQC-NOESY-HMQC' '4D HMQC-NOESY-HMQC' '2D 1H-13C HMQC' stop_ loop_ _Sample_label $sample_2 $sample_4 $sample_3 $sample_1 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 1 GLY H H 8.6778 0.0000 1 2 2 1 GLY N N 110.3802 0.0000 1 3 3 2 ASN H H 8.8106 0.0000 1 4 3 2 ASN HD21 H 6.9474 0.0000 2 5 3 2 ASN HD22 H 7.6962 0.0000 2 6 3 2 ASN C C 173.0510 0.0000 1 7 3 2 ASN CA C 53.3839 0.0000 1 8 3 2 ASN CB C 40.3620 0.0000 1 9 3 2 ASN N N 118.1673 0.0000 1 10 3 2 ASN ND2 N 112.9616 0.0000 1 11 4 3 LEU H H 8.2199 0.0000 1 12 4 3 LEU HA H 4.1303 0.0000 1 13 4 3 LEU HB2 H 1.7722 0.0000 2 14 4 3 LEU HG H 1.6448 0.0000 1 15 4 3 LEU C C 175.0054 0.0000 1 16 4 3 LEU CA C 56.5312 0.0000 1 17 4 3 LEU CB C 42.8017 0.0000 1 18 4 3 LEU CG C 27.6345 0.0000 1 19 4 3 LEU N N 122.1230 0.0000 1 20 5 4 LYS H H 8.6212 0.0000 1 21 5 4 LYS HA H 4.1212 0.0000 1 22 5 4 LYS C C 175.4204 0.0000 1 23 5 4 LYS CA C 57.0428 0.0000 1 24 5 4 LYS CB C 33.1513 0.0000 1 25 5 4 LYS N N 121.8326 0.0000 1 26 6 5 SER H H 8.3509 0.0000 1 27 6 5 SER HA H 4.3493 0.0000 1 28 6 5 SER HB2 H 4.0719 0.0000 2 29 6 5 SER C C 173.8043 0.0000 1 30 6 5 SER CA C 60.5587 0.0000 1 31 6 5 SER CB C 64.3428 0.0000 1 32 6 5 SER N N 116.9723 0.0000 1 33 7 6 ARG H H 8.7596 0.0000 1 34 7 6 ARG HA H 4.1258 0.0000 1 35 7 6 ARG HB2 H 1.9305 0.0000 2 36 7 6 ARG C C 175.8457 0.0000 1 37 7 6 ARG CA C 59.3599 0.0000 1 38 7 6 ARG CB C 30.6366 0.0000 1 39 7 6 ARG N N 122.0910 0.0000 1 40 8 7 ASP H H 8.0071 0.0000 1 41 8 7 ASP HA H 4.1560 0.0000 1 42 8 7 ASP C C 176.4173 0.0000 1 43 8 7 ASP CA C 57.1742 0.0000 1 44 8 7 ASP CB C 41.2490 0.0000 1 45 8 7 ASP N N 119.0422 0.0000 1 46 9 8 TRP H H 8.3120 0.0000 1 47 9 8 TRP HA H 4.4529 0.0000 1 48 9 8 TRP HD1 H 7.2212 0.0000 1 49 9 8 TRP HE1 H 10.4449 0.0000 1 50 9 8 TRP HE3 H 7.6350 0.0000 1 51 9 8 TRP HZ2 H 7.2613 0.0000 1 52 9 8 TRP HZ3 H 6.9988 0.0000 1 53 9 8 TRP HH2 H 6.7161 0.0000 1 54 9 8 TRP C C 174.6990 0.0000 1 55 9 8 TRP CA C 61.2612 0.0000 1 56 9 8 TRP CB C 29.8908 0.0000 1 57 9 8 TRP CD1 C 129.1751 0.0000 1 58 9 8 TRP CZ2 C 113.9422 0.0000 1 59 9 8 TRP CH2 C 123.6934 0.0000 1 60 9 8 TRP N N 122.8495 0.0000 1 61 9 8 TRP NE1 N 129.7833 0.0000 1 62 10 9 LYS H H 8.3089 0.0000 1 63 10 9 LYS HA H 3.8190 0.0000 1 64 10 9 LYS HB2 H 2.0129 0.0000 2 65 10 9 LYS HB3 H 1.8831 0.0000 2 66 10 9 LYS HG2 H 1.5589 0.0000 2 67 10 9 LYS C C 178.1221 0.0000 1 68 10 9 LYS CA C 60.6713 0.0000 1 69 10 9 LYS CB C 32.7857 0.0000 1 70 10 9 LYS CG C 26.2101 0.0000 1 71 10 9 LYS N N 116.7403 0.0000 1 72 11 10 MET H H 8.1611 0.0000 1 73 11 10 MET HA H 4.2662 0.0000 1 74 11 10 MET C C 176.0898 0.0000 1 75 11 10 MET CA C 58.5241 0.0000 1 76 11 10 MET CB C 32.5991 0.0000 1 77 11 10 MET CE C 17.8624 0.0000 1 78 11 10 MET N N 117.7056 0.0000 1 79 12 11 ALA H H 7.9156 0.0000 1 80 12 11 ALA HA H 3.8530 0.0000 1 81 12 11 ALA C C 177.6095 0.0000 1 82 12 11 ALA CA C 55.9283 0.0000 1 83 12 11 ALA CB C 18.5094 0.0000 1 84 12 11 ALA N N 122.3886 0.0000 1 85 13 12 ILE H H 8.2472 0.0000 1 86 13 12 ILE HA H 3.2619 0.0000 1 87 13 12 ILE HB H 1.9570 0.0000 1 88 13 12 ILE HG12 H 0.7322 0.0000 2 89 13 12 ILE C C 177.1811 0.0000 1 90 13 12 ILE CA C 63.5042 0.0000 1 91 13 12 ILE CB C 36.1887 0.0000 1 92 13 12 ILE CG1 C 27.3618 0.0000 1 93 13 12 ILE CG2 C 18.3459 0.0000 1 94 13 12 ILE CD1 C 11.1246 0.0000 1 95 13 12 ILE N N 117.3636 0.0000 1 96 14 13 LYS H H 7.8711 0.0000 1 97 14 13 LYS HA H 3.9815 0.0000 1 98 14 13 LYS C C 178.2808 0.0000 1 99 14 13 LYS CA C 60.5041 0.0000 1 100 14 13 LYS CB C 32.4437 0.0000 1 101 14 13 LYS CG C 26.0401 0.0000 1 102 14 13 LYS CD C 29.4808 0.0000 1 103 14 13 LYS CE C 42.3082 0.0000 1 104 14 13 LYS N N 122.1055 0.0000 1 105 15 14 ARG H H 7.8240 0.0000 1 106 15 14 ARG HA H 4.1120 0.0000 1 107 15 14 ARG HE H 7.1139 0.0000 1 108 15 14 ARG C C 177.5756 0.0000 1 109 15 14 ARG CA C 60.2371 0.0000 1 110 15 14 ARG CB C 32.0360 0.0000 1 111 15 14 ARG CG C 25.9896 0.0000 1 112 15 14 ARG CD C 44.2472 0.0000 1 113 15 14 ARG N N 118.7204 0.0000 1 114 16 15 CYS H H 7.7942 0.0000 1 115 16 15 CYS HA H 4.0621 0.0000 1 116 16 15 CYS C C 173.4688 0.0000 1 117 16 15 CYS CA C 62.7722 0.0000 1 118 16 15 CYS CB C 29.2067 0.0000 1 119 16 15 CYS N N 115.8294 0.0000 1 120 17 16 SER H H 7.7431 0.0000 1 121 17 16 SER HA H 4.8207 0.0000 1 122 17 16 SER C C 171.4244 0.0000 1 123 17 16 SER CA C 61.3478 0.0000 1 124 17 16 SER CB C 64.1061 0.0000 1 125 17 16 SER N N 113.4625 0.0000 1 126 18 17 ASN H H 7.5711 0.0000 1 127 18 17 ASN HA H 4.4416 0.0000 1 128 18 17 ASN HB2 H 3.0653 0.0000 2 129 18 17 ASN HB3 H 2.7334 0.0000 2 130 18 17 ASN HD21 H 7.0149 0.0000 2 131 18 17 ASN HD22 H 7.6313 0.0000 2 132 18 17 ASN C C 172.8542 0.0000 1 133 18 17 ASN CA C 53.6288 0.0000 1 134 18 17 ASN CB C 40.4420 0.0000 1 135 18 17 ASN N N 115.9748 0.0000 1 136 18 17 ASN ND2 N 113.9109 0.0000 1 137 19 18 VAL H H 7.9294 0.0000 1 138 19 18 VAL HA H 3.8846 0.0000 1 139 19 18 VAL HB H 2.4949 0.0000 1 140 19 18 VAL C C 172.4448 0.0000 1 141 19 18 VAL CA C 63.7556 0.0000 1 142 19 18 VAL CB C 32.5485 0.0000 1 143 19 18 VAL CG1 C 22.1127 0.0000 2 144 19 18 VAL CG2 C 21.3196 0.0000 2 145 19 18 VAL N N 122.2381 0.0000 1 146 20 19 ALA H H 8.2440 0.0000 1 147 20 19 ALA HA H 4.8375 0.0000 1 148 20 19 ALA C C 175.2961 0.0000 1 149 20 19 ALA CA C 52.6623 0.0000 1 150 20 19 ALA CB C 20.8832 0.0000 1 151 20 19 ALA N N 129.0820 0.0000 1 152 21 20 VAL H H 8.4013 0.0000 1 153 21 20 VAL HA H 3.7802 0.0000 1 154 21 20 VAL HB H 1.6605 0.0000 1 155 21 20 VAL C C 174.4095 0.0000 1 156 21 20 VAL CA C 64.2636 0.0000 1 157 21 20 VAL CB C 32.9092 0.0000 1 158 21 20 VAL CG1 C 20.5427 0.0000 2 159 21 20 VAL CG2 C 20.0595 0.0000 2 160 21 20 VAL N N 119.1201 0.0000 1 161 22 21 GLY H H 8.1769 0.0000 1 162 22 21 GLY C C 171.2576 0.0000 1 163 22 21 GLY CA C 45.2292 0.0000 1 164 22 21 GLY N N 108.4834 0.0000 1 165 23 22 VAL H H 8.0384 0.0000 1 166 23 22 VAL HA H 3.9647 0.0000 1 167 23 22 VAL HB H 2.1463 0.0000 1 168 23 22 VAL C C 175.0906 0.0000 1 169 23 22 VAL CA C 62.4735 0.0000 1 170 23 22 VAL CB C 33.6837 0.0000 1 171 23 22 VAL N N 117.0706 0.0000 1 172 24 23 GLY H H 8.6785 0.0000 1 173 24 23 GLY C C 173.2250 0.0000 1 174 24 23 GLY CA C 45.9774 0.0000 1 175 24 23 GLY N N 112.6301 0.0000 1 176 25 24 GLY H H 8.5866 0.0000 1 177 25 24 GLY C C 172.6585 0.0000 1 178 25 24 GLY CA C 46.3861 0.0000 1 179 25 24 GLY N N 109.4844 0.0000 1 180 26 25 LYS H H 8.2404 0.0000 1 181 26 25 LYS HA H 4.0529 0.0000 1 182 26 25 LYS C C 174.2930 0.0000 1 183 26 25 LYS CA C 56.5233 0.0000 1 184 26 25 LYS CB C 32.8870 0.0000 1 185 26 25 LYS N N 119.8783 0.0000 1 186 27 26 SER H H 7.8246 0.0000 1 187 27 26 SER HA H 4.5106 0.0000 1 188 27 26 SER C C 172.4712 0.0000 1 189 27 26 SER CA C 58.1090 0.0000 1 190 27 26 SER CB C 64.8031 0.0000 1 191 27 26 SER N N 114.3634 0.0000 1 192 28 27 LYS H H 8.3112 0.0000 1 193 28 27 LYS HA H 4.5622 0.0000 1 194 28 27 LYS C C 173.7045 0.0000 1 195 28 27 LYS CA C 56.9310 0.0000 1 196 28 27 LYS CB C 34.0551 0.0000 1 197 28 27 LYS N N 123.3261 0.0000 1 198 29 28 LYS H H 8.4939 0.0000 1 199 29 28 LYS HA H 4.1883 0.0000 1 200 29 28 LYS C C 175.8481 0.0000 1 201 29 28 LYS CA C 55.2084 0.0000 1 202 29 28 LYS CB C 34.9768 0.0000 1 203 29 28 LYS CG C 25.4002 0.0000 1 204 29 28 LYS CD C 29.3596 0.0000 1 205 29 28 LYS N N 120.8239 0.0000 1 206 30 29 PHE H H 8.1941 0.0000 1 207 30 29 PHE HA H 4.0288 0.0000 1 208 30 29 PHE HB2 H 3.1008 0.0000 2 209 30 29 PHE HB3 H 3.0351 0.0000 2 210 30 29 PHE HZ H 7.1740 0.0000 1 211 30 29 PHE C C 173.5880 0.0000 1 212 30 29 PHE CA C 61.3142 0.0000 1 213 30 29 PHE CB C 41.7354 0.0000 1 214 30 29 PHE N N 119.5387 0.0000 1 215 31 30 GLY H H 8.4332 0.0000 1 216 31 30 GLY C C 172.2888 0.0000 1 217 31 30 GLY CA C 44.0515 0.0000 1 218 31 30 GLY N N 106.9207 0.0000 1 219 32 31 GLU H H 9.1211 0.0000 1 220 32 31 GLU HA H 4.1084 0.0000 1 221 32 31 GLU C C 176.7873 0.0000 1 222 32 31 GLU CA C 61.6499 0.0000 1 223 32 31 GLU CB C 30.4301 0.0000 1 224 32 31 GLU N N 120.1209 0.0000 1 225 33 32 GLY H H 9.2722 0.0000 1 226 33 32 GLY C C 175.1606 0.0000 1 227 33 32 GLY N N 104.9595 0.0000 1 228 34 33 ASN H H 7.9818 0.0000 1 229 34 33 ASN HA H 4.1141 0.0000 1 230 34 33 ASN HD21 H 7.0748 0.0000 2 231 34 33 ASN HD22 H 7.9308 0.0000 2 232 34 33 ASN C C 175.0772 0.0000 1 233 34 33 ASN CA C 58.3720 0.0000 1 234 34 33 ASN CB C 39.5193 0.0000 1 235 34 33 ASN N N 118.2783 0.0000 1 236 34 33 ASN ND2 N 111.6375 0.0000 1 237 35 34 PHE H H 7.2902 0.0000 1 238 35 34 PHE HA H 3.7630 0.0000 1 239 35 34 PHE HB2 H 2.9259 0.0000 2 240 35 34 PHE HB3 H 2.8738 0.0000 2 241 35 34 PHE HZ H 6.6881 0.0000 1 242 35 34 PHE C C 175.1311 0.0000 1 243 35 34 PHE CA C 63.1326 0.0000 1 244 35 34 PHE CB C 39.6573 0.0000 1 245 35 34 PHE N N 117.3485 0.0000 1 246 36 35 ARG H H 8.5505 0.0000 1 247 36 35 ARG HA H 4.1236 0.0000 1 248 36 35 ARG HG2 H 1.9621 0.0000 2 249 36 35 ARG C C 176.9062 0.0000 1 250 36 35 ARG CA C 60.6649 0.0000 1 251 36 35 ARG CB C 30.6414 0.0000 1 252 36 35 ARG CG C 29.6192 0.0000 1 253 36 35 ARG CD C 43.8295 0.0000 1 254 36 35 ARG N N 117.8793 0.0000 1 255 37 36 TRP H H 8.1980 0.0000 1 256 37 36 TRP HA H 4.0543 0.0000 1 257 37 36 TRP HD1 H 7.3918 0.0000 1 258 37 36 TRP HE1 H 10.3847 0.0000 1 259 37 36 TRP HE3 H 7.8727 0.0000 1 260 37 36 TRP HZ2 H 7.4445 0.0000 1 261 37 36 TRP HZ3 H 6.7544 0.0000 1 262 37 36 TRP HH2 H 7.6235 0.0000 1 263 37 36 TRP C C 175.2021 0.0000 1 264 37 36 TRP CA C 62.3625 0.0000 1 265 37 36 TRP CB C 28.6077 0.0000 1 266 37 36 TRP CD1 C 128.2845 0.0000 1 267 37 36 TRP CE3 C 121.4363 0.0000 1 268 37 36 TRP CZ2 C 114.5625 0.0000 1 269 37 36 TRP CZ3 C 120.2175 0.0000 1 270 37 36 TRP CH2 C 124.7343 0.0000 1 271 37 36 TRP N N 118.7364 0.0000 1 272 37 36 TRP NE1 N 130.7332 0.0000 1 273 38 37 ALA H H 8.2812 0.0000 1 274 38 37 ALA HA H 3.3044 0.0000 1 275 38 37 ALA C C 176.8339 0.0000 1 276 38 37 ALA CA C 55.8500 0.0000 1 277 38 37 ALA CB C 19.8950 0.0000 1 278 38 37 ALA N N 120.5977 0.0000 1 279 39 38 ILE H H 8.2699 0.0000 1 280 39 38 ILE HA H 3.7050 0.0000 1 281 39 38 ILE HB H 1.7653 0.0000 1 282 39 38 ILE C C 174.3776 0.0000 1 283 39 38 ILE CA C 64.2119 0.0000 1 284 39 38 ILE CB C 38.8911 0.0000 1 285 39 38 ILE CG2 C 18.9067 0.0000 1 286 39 38 ILE CD1 C 13.8474 0.0000 1 287 39 38 ILE N N 116.2998 0.0000 1 288 40 39 ARG H H 7.3340 0.0000 1 289 40 39 ARG HA H 4.1069 0.0000 1 290 40 39 ARG HE H 7.1931 0.0000 1 291 40 39 ARG C C 176.2574 0.0000 1 292 40 39 ARG CA C 60.9264 0.0000 1 293 40 39 ARG CB C 30.1729 0.0000 1 294 40 39 ARG CG C 29.6315 0.0000 1 295 40 39 ARG CD C 43.9277 0.0000 1 296 40 39 ARG N N 119.9853 0.0000 1 297 41 40 MET H H 8.0635 0.0000 1 298 41 40 MET HA H 4.0082 0.0000 1 299 41 40 MET C C 177.3930 0.0000 1 300 41 40 MET CA C 58.2884 0.0000 1 301 41 40 MET CB C 31.5170 0.0000 1 302 41 40 MET CG C 32.4458 0.0000 1 303 41 40 MET CE C 19.0497 0.0000 1 304 41 40 MET N N 117.4977 0.0000 1 305 42 41 ALA H H 8.5070 0.0000 1 306 42 41 ALA HA H 3.7967 0.0000 1 307 42 41 ALA C C 177.6673 0.0000 1 308 42 41 ALA CA C 55.6562 0.0000 1 309 42 41 ALA CB C 20.2303 0.0000 1 310 42 41 ALA N N 123.6051 0.0000 1 311 43 42 ASN H H 8.5943 0.0000 1 312 43 42 ASN HA H 4.0995 0.0000 1 313 43 42 ASN HB2 H 2.7684 0.0000 2 314 43 42 ASN HB3 H 2.3835 0.0000 2 315 43 42 ASN HD21 H 6.2927 0.0000 2 316 43 42 ASN HD22 H 7.1288 0.0000 2 317 43 42 ASN C C 175.8984 0.0000 1 318 43 42 ASN CA C 56.8020 0.0000 1 319 43 42 ASN CB C 38.4598 0.0000 1 320 43 42 ASN N N 119.3672 0.0000 1 321 43 42 ASN ND2 N 109.8556 0.0000 1 322 44 43 VAL H H 8.5649 0.0000 1 323 44 43 VAL HA H 3.9686 0.0000 1 324 44 43 VAL HB H 2.2168 0.0000 1 325 44 43 VAL C C 177.9375 0.0000 1 326 44 43 VAL CA C 66.6545 0.0000 1 327 44 43 VAL CB C 32.0157 0.0000 1 328 44 43 VAL CG1 C 21.9312 0.0000 2 329 44 43 VAL CG2 C 21.6540 0.0000 2 330 44 43 VAL N N 118.5800 0.0000 1 331 45 44 SER H H 8.0604 0.0000 1 332 45 44 SER HA H 4.1698 0.0000 1 333 45 44 SER C C 172.1842 0.0000 1 334 45 44 SER CA C 62.0149 0.0000 1 335 45 44 SER CB C 64.6360 0.0000 1 336 45 44 SER N N 113.6107 0.0000 1 337 46 45 THR H H 7.5531 0.0000 1 338 46 45 THR HA H 4.3792 0.0000 1 339 46 45 THR HB H 4.0590 0.0000 1 340 46 45 THR HG2 H 1.1231 0.0000 1 341 46 45 THR C C 172.6003 0.0000 1 342 46 45 THR CA C 61.4385 0.0000 1 343 46 45 THR CB C 70.4234 0.0000 1 344 46 45 THR CG2 C 22.0353 0.0000 1 345 46 45 THR N N 106.2350 0.0000 1 346 47 46 GLY H H 7.5702 0.0000 1 347 47 46 GLY HA2 H 4.1308 0.0000 2 348 47 46 GLY HA3 H 3.9181 0.0000 2 349 47 46 GLY C C 172.5297 0.0000 1 350 47 46 GLY CA C 47.0973 0.0000 1 351 47 46 GLY N N 109.3933 0.0000 1 352 48 47 ARG H H 8.2805 0.0000 1 353 48 47 ARG HA H 4.4164 0.0000 1 354 48 47 ARG C C 173.8039 0.0000 1 355 48 47 ARG CA C 55.7820 0.0000 1 356 48 47 ARG CB C 32.8933 0.0000 1 357 48 47 ARG CG C 28.9092 0.0000 1 358 48 47 ARG CD C 43.8101 0.0000 1 359 48 47 ARG N N 120.5897 0.0000 1 360 49 48 GLU H H 8.6544 0.0000 1 361 49 48 GLU HA H 4.4141 0.0000 1 362 49 48 GLU HB2 H 2.1104 0.0000 2 363 49 48 GLU C C 176.6698 0.0000 1 364 49 48 GLU CA C 55.3443 0.0000 1 365 49 48 GLU CB C 29.0556 0.0000 1 366 49 48 GLU CG C 37.6704 0.0000 1 367 49 48 GLU N N 122.7793 0.0000 1 368 50 49 PRO C C 176.1826 0.0000 1 369 50 49 PRO CA C 66.4635 0.0000 1 370 50 49 PRO CB C 32.3526 0.0000 1 371 50 49 PRO CG C 29.4836 0.0000 1 372 51 50 GLY H H 8.3952 0.0000 1 373 51 50 GLY HA2 H 4.0740 0.0000 2 374 51 50 GLY HA3 H 3.5858 0.0000 2 375 51 50 GLY C C 171.8374 0.0000 1 376 51 50 GLY CA C 45.5300 0.0000 1 377 51 50 GLY N N 102.5652 0.0000 1 378 52 51 ASP H H 7.2119 0.0000 1 379 52 51 ASP HA H 4.4615 0.0000 1 380 52 51 ASP C C 173.7925 0.0000 1 381 52 51 ASP CA C 55.1330 0.0000 1 382 52 51 ASP CB C 40.2098 0.0000 1 383 52 51 ASP N N 120.5813 0.0000 1 384 53 52 ILE H H 8.1351 0.0000 1 385 53 52 ILE HA H 4.4617 0.0000 1 386 53 52 ILE HB H 1.7286 0.0000 1 387 53 52 ILE HD1 H 0.7307 0.0000 1 388 53 52 ILE C C 174.2950 0.0000 1 389 53 52 ILE CA C 57.6518 0.0000 1 390 53 52 ILE CB C 41.0237 0.0000 1 391 53 52 ILE CG1 C 27.0760 0.0000 1 392 53 52 ILE CG2 C 17.6773 0.0000 1 393 53 52 ILE CD1 C 13.6038 0.0000 1 394 53 52 ILE N N 127.3081 0.0000 1 395 54 53 PRO HA H 4.2876 0.0000 1 396 54 53 PRO HG2 H 2.0011 0.0000 2 397 54 53 PRO HD3 H 3.6288 0.0000 2 398 54 53 PRO C C 173.5127 0.0000 1 399 54 53 PRO CA C 63.5450 0.0000 1 400 54 53 PRO CB C 32.4139 0.0000 1 401 54 53 PRO CG C 28.2593 0.0000 1 402 54 53 PRO CD C 51.6768 0.0000 1 403 55 54 GLU H H 8.5758 0.0000 1 404 55 54 GLU HA H 4.3672 0.0000 1 405 55 54 GLU HG2 H 2.5524 0.0000 2 406 55 54 GLU C C 174.3553 0.0000 1 407 55 54 GLU CA C 57.5311 0.0000 1 408 55 54 GLU CB C 32.2608 0.0000 1 409 55 54 GLU CG C 37.6850 0.0000 1 410 55 54 GLU N N 119.3826 0.0000 1 411 56 55 THR H H 7.4678 0.0000 1 412 56 55 THR HA H 4.0974 0.0000 1 413 56 55 THR HB H 4.6464 0.0000 1 414 56 55 THR C C 172.5774 0.0000 1 415 56 55 THR CA C 63.6908 0.0000 1 416 56 55 THR CB C 73.4706 0.0000 1 417 56 55 THR CG2 C 22.4689 0.0000 1 418 56 55 THR N N 105.3716 0.0000 1 419 57 56 LEU H H 9.1847 0.0000 1 420 57 56 LEU HA H 4.0899 0.0000 1 421 57 56 LEU HG H 1.7414 0.0000 1 422 57 56 LEU C C 176.2958 0.0000 1 423 57 56 LEU CA C 58.7045 0.0000 1 424 57 56 LEU CB C 41.6128 0.0000 1 425 57 56 LEU CG C 27.7672 0.0000 1 426 57 56 LEU N N 122.8697 0.0000 1 427 58 57 ASP H H 8.6375 0.0000 1 428 58 57 ASP HA H 4.2948 0.0000 1 429 58 57 ASP C C 176.3385 0.0000 1 430 58 57 ASP CA C 58.9366 0.0000 1 431 58 57 ASP CB C 40.7315 0.0000 1 432 58 57 ASP N N 118.3059 0.0000 1 433 59 58 GLN H H 7.7020 0.0000 1 434 59 58 GLN HA H 4.1060 0.0000 1 435 59 58 GLN HE21 H 7.1700 0.0000 2 436 59 58 GLN HE22 H 7.5313 0.0000 2 437 59 58 GLN C C 177.2679 0.0000 1 438 59 58 GLN CA C 59.5426 0.0000 1 439 59 58 GLN CB C 29.4473 0.0000 1 440 59 58 GLN CG C 34.6190 0.0000 1 441 59 58 GLN N N 116.8135 0.0000 1 442 59 58 GLN NE2 N 111.7515 0.0000 1 443 60 59 LEU H H 8.1858 0.0000 1 444 60 59 LEU HA H 4.1270 0.0000 1 445 60 59 LEU HB2 H 2.2617 0.0000 2 446 60 59 LEU HB3 H 1.6055 0.0000 2 447 60 59 LEU HG H 2.0571 0.0000 1 448 60 59 LEU C C 175.9833 0.0000 1 449 60 59 LEU CA C 58.5093 0.0000 1 450 60 59 LEU CB C 42.6049 0.0000 1 451 60 59 LEU CG C 29.2264 0.0000 1 452 60 59 LEU CD1 C 24.6850 0.0000 2 453 60 59 LEU N N 121.0046 0.0000 1 454 61 60 ARG H H 9.2336 0.0000 1 455 61 60 ARG HA H 4.1456 0.0000 1 456 61 60 ARG HE H 6.9930 0.0000 1 457 61 60 ARG C C 177.1577 0.0000 1 458 61 60 ARG CA C 60.0164 0.0000 1 459 61 60 ARG CB C 35.6468 0.0000 1 460 61 60 ARG CG C 27.4201 0.0000 1 461 61 60 ARG CD C 44.3200 0.0000 1 462 61 60 ARG N N 118.1739 0.0000 1 463 62 61 LEU H H 7.7164 0.0000 1 464 62 61 LEU HA H 4.0140 0.0000 1 465 62 61 LEU C C 176.1553 0.0000 1 466 62 61 LEU CA C 59.4326 0.0000 1 467 62 61 LEU CB C 41.9410 0.0000 1 468 62 61 LEU CG C 27.6042 0.0000 1 469 62 61 LEU N N 118.3811 0.0000 1 470 63 62 VAL H H 7.4344 0.0000 1 471 63 62 VAL HA H 3.6566 0.0000 1 472 63 62 VAL HB H 2.3705 0.0000 1 473 63 62 VAL C C 175.8824 0.0000 1 474 63 62 VAL CA C 67.8018 0.0000 1 475 63 62 VAL CB C 32.1870 0.0000 1 476 63 62 VAL CG1 C 22.2295 0.0000 2 477 63 62 VAL N N 118.8789 0.0000 1 478 64 63 ILE H H 8.3083 0.0000 1 479 64 63 ILE HA H 3.4928 0.0000 1 480 64 63 ILE HB H 1.9754 0.0000 1 481 64 63 ILE C C 176.2978 0.0000 1 482 64 63 ILE CA C 67.9124 0.0000 1 483 64 63 ILE CB C 38.1371 0.0000 1 484 64 63 ILE CG2 C 18.3323 0.0000 1 485 64 63 ILE CD1 C 13.8941 0.0000 1 486 64 63 ILE N N 119.5671 0.0000 1 487 65 64 CYS H H 9.0200 0.0000 1 488 65 64 CYS HA H 4.2853 0.0000 1 489 65 64 CYS HB2 H 2.9613 0.0000 2 490 65 64 CYS HB3 H 3.1092 0.0000 2 491 65 64 CYS C C 175.6217 0.0000 1 492 65 64 CYS CA C 64.6932 0.0000 1 493 65 64 CYS CB C 27.0369 0.0000 1 494 65 64 CYS N N 118.4305 0.0000 1 495 66 65 ASP H H 8.4813 0.0000 1 496 66 65 ASP HA H 4.4583 0.0000 1 497 66 65 ASP HB2 H 3.0555 0.0000 2 498 66 65 ASP C C 177.4175 0.0000 1 499 66 65 ASP CA C 59.2735 0.0000 1 500 66 65 ASP CB C 41.1080 0.0000 1 501 66 65 ASP N N 120.7096 0.0000 1 502 67 66 LEU H H 8.6176 0.0000 1 503 67 66 LEU HA H 4.0691 0.0000 1 504 67 66 LEU HG H 1.6752 0.0000 1 505 67 66 LEU C C 176.7303 0.0000 1 506 67 66 LEU CA C 58.4813 0.0000 1 507 67 66 LEU CB C 43.1863 0.0000 1 508 67 66 LEU CG C 26.4551 0.0000 1 509 67 66 LEU CD1 C 26.1042 0.0000 2 510 67 66 LEU N N 122.4496 0.0000 1 511 68 67 GLN H H 9.0217 0.0000 1 512 68 67 GLN HA H 4.0284 0.0000 1 513 68 67 GLN HG2 H 2.7487 0.0000 2 514 68 67 GLN C C 176.8584 0.0000 1 515 68 67 GLN CA C 60.3241 0.0000 1 516 68 67 GLN CB C 28.4294 0.0000 1 517 68 67 GLN CG C 36.9059 0.0000 1 518 68 67 GLN N N 119.3602 0.0000 1 519 68 67 GLN NE2 N 111.2382 0.0000 1 520 69 68 GLU H H 8.4529 0.0000 1 521 69 68 GLU HA H 4.2311 0.0000 1 522 69 68 GLU C C 177.0620 0.0000 1 523 69 68 GLU CA C 60.3454 0.0000 1 524 69 68 GLU CB C 29.7781 0.0000 1 525 69 68 GLU CG C 37.5694 0.0000 1 526 69 68 GLU N N 120.2036 0.0000 1 527 70 69 ARG H H 7.9000 0.0000 1 528 70 69 ARG HA H 3.8806 0.0000 1 529 70 69 ARG HE H 7.5438 0.0000 1 530 70 69 ARG C C 176.3905 0.0000 1 531 70 69 ARG CA C 60.0106 0.0000 1 532 70 69 ARG CB C 29.9852 0.0000 1 533 70 69 ARG CG C 27.4978 0.0000 1 534 70 69 ARG CD C 43.9711 0.0000 1 535 70 69 ARG N N 119.5610 0.0000 1 536 71 70 ARG H H 8.2486 0.0000 1 537 71 70 ARG HA H 4.2473 0.0000 1 538 71 70 ARG HE H 7.9100 0.0000 1 539 71 70 ARG C C 176.5971 0.0000 1 540 71 70 ARG CA C 59.3384 0.0000 1 541 71 70 ARG CB C 30.6725 0.0000 1 542 71 70 ARG CG C 27.3281 0.0000 1 543 71 70 ARG CD C 44.0479 0.0000 1 544 71 70 ARG N N 120.2014 0.0000 1 545 72 71 GLU H H 8.0194 0.0000 1 546 72 71 GLU HA H 4.1078 0.0000 1 547 72 71 GLU C C 175.9009 0.0000 1 548 72 71 GLU CA C 59.3609 0.0000 1 549 72 71 GLU CB C 30.0495 0.0000 1 550 72 71 GLU CG C 36.8953 0.0000 1 551 72 71 GLU N N 118.6803 0.0000 1 552 73 72 LYS H H 7.8268 0.0000 1 553 73 72 LYS HA H 4.1007 0.0000 1 554 73 72 LYS HB2 H 1.5812 0.0000 2 555 73 72 LYS HB3 H 1.2807 0.0000 2 556 73 72 LYS C C 175.9293 0.0000 1 557 73 72 LYS CA C 59.0236 0.0000 1 558 73 72 LYS CB C 34.0008 0.0000 1 559 73 72 LYS CG C 24.0304 0.0000 1 560 73 72 LYS CD C 29.3940 0.0000 1 561 73 72 LYS CE C 42.6456 0.0000 1 562 73 72 LYS N N 117.1886 0.0000 1 563 74 73 PHE H H 8.5160 0.0000 1 564 74 73 PHE HA H 4.1588 0.0000 1 565 74 73 PHE HB2 H 3.4780 0.0000 2 566 74 73 PHE HB3 H 3.0392 0.0000 2 567 74 73 PHE C C 174.6447 0.0000 1 568 74 73 PHE CA C 58.6712 0.0000 1 569 74 73 PHE CB C 40.8743 0.0000 1 570 74 73 PHE N N 114.9575 0.0000 1 571 75 74 GLY H H 7.8082 0.0000 1 572 75 74 GLY HA2 H 4.5737 0.0000 2 573 75 74 GLY HA3 H 3.9116 0.0000 2 574 75 74 GLY C C 171.1349 0.0000 1 575 75 74 GLY CA C 45.1931 0.0000 1 576 75 74 GLY N N 109.7593 0.0000 1 577 76 75 SER H H 8.4025 0.0000 1 578 76 75 SER HA H 4.7417 0.0000 1 579 76 75 SER C C 172.4194 0.0000 1 580 76 75 SER CA C 58.1485 0.0000 1 581 76 75 SER CB C 65.4123 0.0000 1 582 76 75 SER N N 113.1625 0.0000 1 583 77 76 SER H H 8.0990 0.0000 1 584 77 76 SER HA H 4.6322 0.0000 1 585 77 76 SER C C 172.3777 0.0000 1 586 77 76 SER CA C 57.4690 0.0000 1 587 77 76 SER CB C 66.4058 0.0000 1 588 77 76 SER N N 115.0843 0.0000 1 589 78 77 LYS H H 9.0477 0.0000 1 590 78 77 LYS HA H 4.2279 0.0000 1 591 78 77 LYS C C 177.4128 0.0000 1 592 78 77 LYS CA C 60.4262 0.0000 1 593 78 77 LYS CB C 32.5377 0.0000 1 594 78 77 LYS N N 122.4285 0.0000 1 595 79 78 GLU H H 8.7508 0.0000 1 596 79 78 GLU HA H 4.3440 0.0000 1 597 79 78 GLU C C 176.4394 0.0000 1 598 79 78 GLU CA C 61.4091 0.0000 1 599 79 78 GLU CB C 30.2038 0.0000 1 600 79 78 GLU CG C 39.1495 0.0000 1 601 79 78 GLU N N 118.0357 0.0000 1 602 80 79 ILE H H 7.8883 0.0000 1 603 80 79 ILE HA H 3.8071 0.0000 1 604 80 79 ILE HB H 2.0184 0.0000 1 605 80 79 ILE C C 175.6103 0.0000 1 606 80 79 ILE CA C 65.6899 0.0000 1 607 80 79 ILE CB C 37.7122 0.0000 1 608 80 79 ILE CG1 C 29.7478 0.0000 1 609 80 79 ILE CG2 C 18.4561 0.0000 1 610 80 79 ILE CD1 C 13.1117 0.0000 1 611 80 79 ILE N N 120.4398 0.0000 1 612 81 80 ASP H H 8.3951 0.0000 1 613 81 80 ASP HA H 4.4651 0.0000 1 614 81 80 ASP C C 177.6100 0.0000 1 615 81 80 ASP CA C 58.6920 0.0000 1 616 81 80 ASP CB C 40.0844 0.0000 1 617 81 80 ASP N N 120.6782 0.0000 1 618 82 81 MET H H 8.2201 0.0000 1 619 82 81 MET HA H 4.1775 0.0000 1 620 82 81 MET C C 177.8286 0.0000 1 621 82 81 MET CA C 58.2799 0.0000 1 622 82 81 MET CB C 33.2547 0.0000 1 623 82 81 MET CG C 32.6553 0.0000 1 624 82 81 MET CE C 17.7258 0.0000 1 625 82 81 MET N N 118.6989 0.0000 1 626 83 82 ALA H H 9.0028 0.0000 1 627 83 82 ALA HA H 4.1555 0.0000 1 628 83 82 ALA C C 176.7796 0.0000 1 629 83 82 ALA CA C 57.1161 0.0000 1 630 83 82 ALA CB C 17.9751 0.0000 1 631 83 82 ALA N N 127.1453 0.0000 1 632 84 83 ILE H H 8.4751 0.0000 1 633 84 83 ILE HA H 3.4646 0.0000 1 634 84 83 ILE HB H 2.0572 0.0000 1 635 84 83 ILE C C 175.5363 0.0000 1 636 84 83 ILE CA C 67.8659 0.0000 1 637 84 83 ILE CB C 38.7754 0.0000 1 638 84 83 ILE CG2 C 18.5293 0.0000 1 639 84 83 ILE CD1 C 15.0328 0.0000 1 640 84 83 ILE N N 116.7500 0.0000 1 641 85 84 VAL H H 7.8457 0.0000 1 642 85 84 VAL HA H 3.6285 0.0000 1 643 85 84 VAL HB H 2.3594 0.0000 1 644 85 84 VAL C C 175.5494 0.0000 1 645 85 84 VAL CA C 67.8114 0.0000 1 646 85 84 VAL CB C 32.6363 0.0000 1 647 85 84 VAL CG1 C 22.6072 0.0000 2 648 85 84 VAL CG2 C 22.9364 0.0000 2 649 85 84 VAL N N 117.8248 0.0000 1 650 86 85 THR H H 8.2038 0.0000 1 651 86 85 THR HA H 3.6473 0.0000 1 652 86 85 THR HB H 3.6481 0.0000 1 653 86 85 THR HG2 H 1.5271 0.0000 1 654 86 85 THR C C 174.4728 0.0000 1 655 86 85 THR CA C 68.0427 0.0000 1 656 86 85 THR CB C 69.1966 0.0000 1 657 86 85 THR CG2 C 19.5955 0.0000 1 658 86 85 THR N N 116.2586 0.0000 1 659 87 86 LEU H H 8.2689 0.0000 1 660 87 86 LEU HA H 4.1517 0.0000 1 661 87 86 LEU HG H 2.1025 0.0000 1 662 87 86 LEU C C 176.7069 0.0000 1 663 87 86 LEU CA C 58.7324 0.0000 1 664 87 86 LEU CB C 41.4737 0.0000 1 665 87 86 LEU CG C 27.6645 0.0000 1 666 87 86 LEU CD1 C 24.0135 0.0000 2 667 87 86 LEU N N 120.3178 0.0000 1 668 88 87 LYS H H 8.0970 0.0000 1 669 88 87 LYS HA H 3.7304 0.0000 1 670 88 87 LYS C C 177.0097 0.0000 1 671 88 87 LYS CA C 61.3784 0.0000 1 672 88 87 LYS CB C 33.2307 0.0000 1 673 88 87 LYS CG C 23.7854 0.0000 1 674 88 87 LYS CD C 28.0390 0.0000 1 675 88 87 LYS CE C 44.2362 0.0000 1 676 88 87 LYS N N 120.4671 0.0000 1 677 89 88 VAL H H 8.2103 0.0000 1 678 89 88 VAL HA H 3.6853 0.0000 1 679 89 88 VAL HB H 2.3124 0.0000 1 680 89 88 VAL HG1 H 1.2760 0.0000 2 681 89 88 VAL C C 175.1883 0.0000 1 682 89 88 VAL CA C 68.2724 0.0000 1 683 89 88 VAL CB C 31.6713 0.0000 1 684 89 88 VAL CG1 C 22.8888 0.0000 2 685 89 88 VAL N N 119.4528 0.0000 1 686 90 89 PHE H H 8.2386 0.0000 1 687 90 89 PHE HA H 3.9253 0.0000 1 688 90 89 PHE C C 175.2380 0.0000 1 689 90 89 PHE CA C 62.2670 0.0000 1 690 90 89 PHE CB C 39.4244 0.0000 1 691 90 89 PHE N N 119.8845 0.0000 1 692 91 90 ALA H H 8.4262 0.0000 1 693 91 90 ALA HA H 3.7533 0.0000 1 694 91 90 ALA C C 175.3865 0.0000 1 695 91 90 ALA CA C 56.6218 0.0000 1 696 91 90 ALA CB C 19.6809 0.0000 1 697 91 90 ALA N N 118.6842 0.0000 1 698 92 91 VAL H H 8.1410 0.0000 1 699 92 91 VAL HA H 3.7098 0.0000 1 700 92 91 VAL HB H 2.1244 0.0000 1 701 92 91 VAL C C 173.5304 0.0000 1 702 92 91 VAL CA C 67.0976 0.0000 1 703 92 91 VAL CB C 34.3309 0.0000 1 704 92 91 VAL CG1 C 23.5119 0.0000 2 705 92 91 VAL N N 113.7842 0.0000 1 706 93 92 ALA H H 8.6169 0.0000 1 707 93 92 ALA HA H 4.2979 0.0000 1 708 93 92 ALA C C 176.5263 0.0000 1 709 93 92 ALA CA C 53.5543 0.0000 1 710 93 92 ALA CB C 19.8650 0.0000 1 711 93 92 ALA N N 118.7012 0.0000 1 712 94 93 GLY H H 6.8836 0.0000 1 713 94 93 GLY HA2 H 3.7830 0.0000 2 714 94 93 GLY HA3 H 3.1906 0.0000 2 715 94 93 GLY C C 172.2483 0.0000 1 716 94 93 GLY CA C 47.5955 0.0000 1 717 94 93 GLY N N 104.2263 0.0000 1 718 95 94 LEU H H 7.9509 0.0000 1 719 95 94 LEU HA H 4.1600 0.0000 1 720 95 94 LEU HB2 H 1.8397 0.0000 2 721 95 94 LEU HB3 H 1.5487 0.0000 2 722 95 94 LEU HG H 1.2033 0.0000 1 723 95 94 LEU C C 177.6119 0.0000 1 724 95 94 LEU CA C 58.1009 0.0000 1 725 95 94 LEU CB C 41.2026 0.0000 1 726 95 94 LEU CG C 26.1833 0.0000 1 727 95 94 LEU N N 121.1741 0.0000 1 728 96 95 LEU H H 7.8113 0.0000 1 729 96 95 LEU HA H 4.3400 0.0000 1 730 96 95 LEU HB2 H 2.3547 0.0000 2 731 96 95 LEU HB3 H 1.5743 0.0000 2 732 96 95 LEU HG H 1.0125 0.0000 1 733 96 95 LEU C C 174.9704 0.0000 1 734 96 95 LEU CA C 55.6801 0.0000 1 735 96 95 LEU CB C 42.8540 0.0000 1 736 96 95 LEU CG C 27.6344 0.0000 1 737 96 95 LEU N N 115.8423 0.0000 1 738 97 96 ASN H H 6.7383 0.0000 1 739 97 96 ASN HA H 4.3013 0.0000 1 740 97 96 ASN HB2 H 3.2401 0.0000 2 741 97 96 ASN HB3 H 2.4624 0.0000 2 742 97 96 ASN HD21 H 6.4803 0.0000 2 743 97 96 ASN HD22 H 7.3589 0.0000 2 744 97 96 ASN C C 172.3470 0.0000 1 745 97 96 ASN CA C 54.5153 0.0000 1 746 97 96 ASN CB C 37.8781 0.0000 1 747 97 96 ASN N N 112.9666 0.0000 1 748 97 96 ASN ND2 N 108.2122 0.0000 1 749 98 97 MET H H 8.2171 0.0000 1 750 98 97 MET HA H 4.3963 0.0000 1 751 98 97 MET HB2 H 2.5128 0.0000 2 752 98 97 MET HB3 H 1.7983 0.0000 2 753 98 97 MET C C 176.5791 0.0000 1 754 98 97 MET CA C 55.3925 0.0000 1 755 98 97 MET CB C 32.4509 0.0000 1 756 98 97 MET CG C 32.9574 0.0000 1 757 98 97 MET CE C 18.2430 0.0000 1 758 98 97 MET N N 116.2264 0.0000 1 759 99 98 THR H H 8.5508 0.0000 1 760 99 98 THR HA H 4.7538 0.0000 1 761 99 98 THR HB H 4.1286 0.0000 1 762 99 98 THR C C 173.4304 0.0000 1 763 99 98 THR CA C 63.5311 0.0000 1 764 99 98 THR CB C 69.0973 0.0000 1 765 99 98 THR CG2 C 22.1114 0.0000 1 766 99 98 THR N N 118.6309 0.0000 1 767 100 99 VAL H H 7.9602 0.0000 1 768 100 99 VAL HA H 4.2302 0.0000 1 769 100 99 VAL HB H 2.1416 0.0000 1 770 100 99 VAL C C 173.2878 0.0000 1 771 100 99 VAL CA C 60.4460 0.0000 1 772 100 99 VAL CB C 35.3505 0.0000 1 773 100 99 VAL CG1 C 22.2815 0.0000 2 774 100 99 VAL N N 121.3111 0.0000 1 775 101 100 SER H H 9.0267 0.0000 1 776 101 100 SER HA H 4.4160 0.0000 1 777 101 100 SER C C 173.9753 0.0000 1 778 101 100 SER CA C 60.4113 0.0000 1 779 101 100 SER CB C 64.9352 0.0000 1 780 101 100 SER N N 115.9556 0.0000 1 781 102 101 THR H H 7.2644 0.0000 1 782 102 101 THR HA H 5.5295 0.0000 1 783 102 101 THR HB H 4.6247 0.0000 1 784 102 101 THR C C 172.7536 0.0000 1 785 102 101 THR CA C 60.1328 0.0000 1 786 102 101 THR CB C 74.2489 0.0000 1 787 102 101 THR CG2 C 22.3924 0.0000 1 788 102 101 THR N N 109.6021 0.0000 1 789 103 102 ALA H H 8.4204 0.0000 1 790 103 102 ALA HA H 4.0408 0.0000 1 791 103 102 ALA C C 176.6709 0.0000 1 792 103 102 ALA CA C 55.7062 0.0000 1 793 103 102 ALA CB C 19.1386 0.0000 1 794 103 102 ALA N N 123.6338 0.0000 1 795 104 103 ALA H H 8.4927 0.0000 1 796 104 103 ALA HA H 4.2388 0.0000 1 797 104 103 ALA C C 178.6528 0.0000 1 798 104 103 ALA CA C 55.5534 0.0000 1 799 104 103 ALA CB C 18.9030 0.0000 1 800 104 103 ALA N N 119.4236 0.0000 1 801 105 104 ALA H H 8.0637 0.0000 1 802 105 104 ALA HA H 4.3351 0.0000 1 803 105 104 ALA C C 179.0599 0.0000 1 804 105 104 ALA CA C 55.4147 0.0000 1 805 105 104 ALA CB C 19.0326 0.0000 1 806 105 104 ALA N N 120.7565 0.0000 1 807 106 105 ALA H H 8.0740 0.0000 1 808 106 105 ALA HA H 4.1493 0.0000 1 809 106 105 ALA C C 176.7615 0.0000 1 810 106 105 ALA CA C 56.3700 0.0000 1 811 106 105 ALA CB C 19.5490 0.0000 1 812 106 105 ALA N N 121.3070 0.0000 1 813 107 106 GLU H H 8.7347 0.0000 1 814 107 106 GLU HA H 3.7928 0.0000 1 815 107 106 GLU C C 176.9624 0.0000 1 816 107 106 GLU CA C 61.1910 0.0000 1 817 107 106 GLU CB C 30.4413 0.0000 1 818 107 106 GLU CG C 37.6639 0.0000 1 819 107 106 GLU N N 118.1648 0.0000 1 820 108 107 ASN H H 8.1035 0.0000 1 821 108 107 ASN HA H 4.3287 0.0000 1 822 108 107 ASN HD21 H 6.9864 0.0000 2 823 108 107 ASN HD22 H 7.7199 0.0000 2 824 108 107 ASN C C 177.5881 0.0000 1 825 108 107 ASN CA C 57.0756 0.0000 1 826 108 107 ASN CB C 39.2335 0.0000 1 827 108 107 ASN N N 118.1087 0.0000 1 828 108 107 ASN ND2 N 112.3429 0.0000 1 829 109 108 MET H H 8.4595 0.0000 1 830 109 108 MET HA H 4.2292 0.0000 1 831 109 108 MET C C 174.9955 0.0000 1 832 109 108 MET CA C 59.1871 0.0000 1 833 109 108 MET CB C 39.3968 0.0000 1 834 109 108 MET CG C 32.9980 0.0000 1 835 109 108 MET CE C 17.7982 0.0000 1 836 109 108 MET N N 120.2074 0.0000 1 837 110 109 TYR H H 8.6582 0.0000 1 838 110 109 TYR HA H 3.6322 0.0000 1 839 110 109 TYR HB2 H 3.4040 0.0000 2 840 110 109 TYR HB3 H 3.0384 0.0000 2 841 110 109 TYR C C 174.8076 0.0000 1 842 110 109 TYR CA C 63.2137 0.0000 1 843 110 109 TYR CB C 39.5567 0.0000 1 844 110 109 TYR N N 120.4384 0.0000 1 845 111 110 SER H H 7.4760 0.0000 1 846 111 110 SER HA H 4.1288 0.0000 1 847 111 110 SER C C 177.2047 0.0000 1 848 111 110 SER CA C 61.9095 0.0000 1 849 111 110 SER CB C 63.9571 0.0000 1 850 111 110 SER N N 110.4464 0.0000 1 851 112 111 GLN H H 8.8393 0.0000 1 852 112 111 GLN HA H 4.1918 0.0000 1 853 112 111 GLN HE21 H 6.7901 0.0000 2 854 112 111 GLN HE22 H 7.4974 0.0000 2 855 112 111 GLN C C 176.4358 0.0000 1 856 112 111 GLN CA C 60.0463 0.0000 1 857 112 111 GLN CB C 29.0010 0.0000 1 858 112 111 GLN CG C 34.5271 0.0000 1 859 112 111 GLN N N 125.2119 0.0000 1 860 112 111 GLN NE2 N 111.2123 0.0000 1 861 113 112 MET H H 8.0910 0.0000 1 862 113 112 MET HA H 4.2770 0.0000 1 863 113 112 MET C C 173.9572 0.0000 1 864 113 112 MET CA C 57.1288 0.0000 1 865 113 112 MET CB C 34.5381 0.0000 1 866 113 112 MET CG C 33.4589 0.0000 1 867 113 112 MET CE C 17.8014 0.0000 1 868 113 112 MET N N 114.6621 0.0000 1 869 114 113 GLY H H 8.0220 0.0000 1 870 114 113 GLY C C 173.9753 0.0000 1 871 114 113 GLY CA C 46.6347 0.0000 1 872 114 113 GLY N N 107.4225 0.0000 1 873 115 114 LEU H H 7.4557 0.0000 1 874 115 114 LEU HA H 4.0069 0.0000 1 875 115 114 LEU HB2 H 0.5524 0.0000 2 876 115 114 LEU HG H 1.2831 0.0000 1 877 115 114 LEU C C 175.2780 0.0000 1 878 115 114 LEU CA C 56.0460 0.0000 1 879 115 114 LEU CB C 39.1098 0.0000 1 880 115 114 LEU CG C 26.2526 0.0000 1 881 115 114 LEU CD1 C 25.7674 0.0000 2 882 115 114 LEU N N 114.6115 0.0000 1 883 116 115 ASP H H 8.4992 0.0000 1 884 116 115 ASP C C 173.8487 0.0000 1 885 116 115 ASP CA C 55.7397 0.0000 1 886 116 115 ASP CB C 40.8149 0.0000 1 887 116 115 ASP N N 116.7401 0.0000 1 888 117 116 THR H H 7.3524 0.0000 1 889 117 116 THR HA H 4.2810 0.0000 1 890 117 116 THR HB H 4.0809 0.0000 1 891 117 116 THR C C 171.7218 0.0000 1 892 117 116 THR CA C 62.1193 0.0000 1 893 117 116 THR CB C 70.9240 0.0000 1 894 117 116 THR CG2 C 22.0502 0.0000 1 895 117 116 THR N N 112.0079 0.0000 1 896 118 117 ARG H H 8.6935 0.0000 1 897 118 117 ARG C C 175.0627 0.0000 1 898 118 117 ARG CA C 55.7716 0.0000 1 899 118 117 ARG CB C 30.6252 0.0000 1 900 118 117 ARG CG C 25.4615 0.0000 1 901 118 117 ARG CD C 42.4405 0.0000 1 902 118 117 ARG N N 125.2351 0.0000 1 stop_ save_