data_30738 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the myristoylated feline immunodeficiency virus matrix protein ; _BMRB_accession_number 30738 _BMRB_flat_file_name bmr30738.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. . . 8 Nyaunu C. . . 9 Maxwell S. . . 10 Johnson T. . . 11 Moser M. . . 12 Ablan S. D. . 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" 486 "13C chemical shifts" 449 "15N chemical shifts" 114 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 myristoylated 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. . . 8 Nyaunu C. . . 9 Maxwell S. . . 10 Johnson T. . . 11 Moser M. . . 12 Ablan S. D. . 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 entity_2 $entity_MYR 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 13922.065 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; XGNGQGRDWKMAIKRCSNVA VGVGGKSKKFGEGNFRWAIR MANVSTGREPGDIPETLDQL RLVICDLQERREKFGSSKEI DMAIVTLKVFAVAGLLNMTV STAAAAENMYSQMGLDTRPH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 MYR 2 GLY 3 ASN 4 GLY 5 GLN 6 GLY 7 ARG 8 ASP 9 TRP 10 LYS 11 MET 12 ALA 13 ILE 14 LYS 15 ARG 16 CYS 17 SER 18 ASN 19 VAL 20 ALA 21 VAL 22 GLY 23 VAL 24 GLY 25 GLY 26 LYS 27 SER 28 LYS 29 LYS 30 PHE 31 GLY 32 GLU 33 GLY 34 ASN 35 PHE 36 ARG 37 TRP 38 ALA 39 ILE 40 ARG 41 MET 42 ALA 43 ASN 44 VAL 45 SER 46 THR 47 GLY 48 ARG 49 GLU 50 PRO 51 GLY 52 ASP 53 ILE 54 PRO 55 GLU 56 THR 57 LEU 58 ASP 59 GLN 60 LEU 61 ARG 62 LEU 63 VAL 64 ILE 65 CYS 66 ASP 67 LEU 68 GLN 69 GLU 70 ARG 71 ARG 72 GLU 73 LYS 74 PHE 75 GLY 76 SER 77 SER 78 LYS 79 GLU 80 ILE 81 ASP 82 MET 83 ALA 84 ILE 85 VAL 86 THR 87 LEU 88 LYS 89 VAL 90 PHE 91 ALA 92 VAL 93 ALA 94 GLY 95 LEU 96 LEU 97 ASN 98 MET 99 THR 100 VAL 101 SER 102 THR 103 ALA 104 ALA 105 ALA 106 ALA 107 GLU 108 ASN 109 MET 110 TYR 111 SER 112 GLN 113 MET 114 GLY 115 LEU 116 ASP 117 THR 118 ARG 119 PRO 120 HIS 121 HIS 122 HIS 123 HIS 124 HIS 125 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_MYR _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'MYRISTIC ACID' _BMRB_code MYR _PDB_code MYR _Standard_residue_derivative . _Molecular_mass 228.371 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C9 C10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C10 C11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C14 H143 ? ? stop_ save_ ############# # Ligands # ############# save_MYR _Saveframe_category ligand _Mol_type non-polymer _Name_common entity_MYR _Molecular_mass 228.371 _Details . _Mol_thiol_state . _Sequence_homology_query_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 glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-15N] Feline Immunodeficiency Virus Myristoylated 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_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L ammonium chloride, 300 uM [U-13C] Feline Immunodeficiency Virus Myristoylated Matrix Protein, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM '[U-98% 2H]' '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_3 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L ammonium chloride, 50 mg/L Myristoyl coenzyme A, 300 uM [U-13C] Feline Immunodeficiency Virus Myristoylated Matrix Protein, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM '[U-98% 2H]' '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] 'Myristoyl coenzyme A' 50 mg/L 'natural abundance' 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 [U-99% 13C] glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-13C; U-15N] Feline Immunodeficiency Virus Myristoylated 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_5 _Saveframe_category sample _Sample_type solution _Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 4 g/L glucose, 1 g/L ammonium chloride, 300 uM Feline Immunodeficiency Virus Myristoylated Matrix Protein, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 10 mM '[U-98% 2H]' 'sodium chloride' 5 mM 'natural abundance' glucose 4 g/L 'natural abundance' 'ammonium chloride' 1 g/L 'natural abundance' $entity_1 300 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_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 CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_5 _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_6 _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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _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_5 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_4 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_4 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_4 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_2 save_ save_4D_HMQC-NOESY-HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HMQC-NOESY-HMQC' _Sample_label $sample_2 save_ save_4D_HSQC-NOESY-HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HSQC-NOESY-HMQC' _Sample_label $sample_4 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_ #################### # 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 carbon' ppm 0.000 external indirect . . . 1.0 water H 1 protons ppm 4.7 internal direct . . . 1.0 urea N 15 nitrogen ppm 0.000 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' '2D 1H-13C HMQC' '4D HMQC-NOESY-HMQC' '4D HSQC-NOESY-HMQC' stop_ loop_ _Sample_label $sample_5 $sample_1 $sample_4 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _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 2 GLY H H 8.0901 0.0000 1 2 2 2 GLY HA2 H 3.9236 0.0000 2 3 2 2 GLY C C 167.8243 0.0000 1 4 2 2 GLY CA C 45.7657 0.0000 1 5 2 2 GLY N N 112.7472 0.0000 1 6 3 3 ASN H H 8.0693 0.0000 1 7 3 3 ASN HA H 4.6230 0.0000 1 8 3 3 ASN HB2 H 2.7935 0.0000 2 9 3 3 ASN C C 179.0533 0.0000 1 10 3 3 ASN CA C 55.3636 0.0000 1 11 3 3 ASN CB C 41.6497 0.0000 1 12 3 3 ASN N N 123.6238 0.0000 1 13 4 4 GLY C C 174.4905 0.0000 1 14 5 5 GLN H H 8.2857 0.0000 1 15 5 5 GLN HA H 3.9728 0.0000 1 16 5 5 GLN HB2 H 2.2426 0.0000 2 17 5 5 GLN HG2 H 2.0046 0.0000 2 18 5 5 GLN HE21 H 7.5488 0.0000 2 19 5 5 GLN HE22 H 6.8904 0.0000 2 20 5 5 GLN C C 177.1547 0.0000 1 21 5 5 GLN CA C 61.3074 0.0000 1 22 5 5 GLN CB C 32.4673 0.0000 1 23 5 5 GLN CG C 34.4413 0.0000 1 24 5 5 GLN N N 119.4843 0.0000 1 25 5 5 GLN NE2 N 112.3735 0.0000 1 26 6 6 GLY CA C 45.8930 0.0000 1 27 7 7 ARG H H 8.4645 0.0000 1 28 7 7 ARG HA H 4.1222 0.0000 1 29 7 7 ARG HB2 H 2.2090 0.0000 2 30 7 7 ARG C C 176.6866 0.0000 1 31 7 7 ARG CA C 60.2217 0.0000 1 32 7 7 ARG CB C 29.5973 0.0000 1 33 7 7 ARG N N 120.7485 0.0000 1 34 8 8 ASP H H 8.2115 0.0000 1 35 8 8 ASP HA H 4.1075 0.0000 1 36 8 8 ASP HB2 H 2.2600 0.0000 2 37 8 8 ASP HB3 H 1.4806 0.0000 2 38 8 8 ASP C C 175.1642 0.0000 1 39 8 8 ASP CA C 58.2522 0.0000 1 40 8 8 ASP CB C 41.9870 0.0000 1 41 8 8 ASP N N 121.0404 0.0000 1 42 9 9 TRP H H 8.1982 0.0000 1 43 9 9 TRP HA H 4.0625 0.0000 1 44 9 9 TRP HB2 H 3.5700 0.0000 2 45 9 9 TRP HD1 H 7.2503 0.0000 1 46 9 9 TRP HE1 H 10.3010 0.0000 1 47 9 9 TRP HE3 H 7.5717 0.0000 1 48 9 9 TRP HZ2 H 7.4330 0.0000 1 49 9 9 TRP HZ3 H 6.7149 0.0000 1 50 9 9 TRP HH2 H 7.1687 0.0000 1 51 9 9 TRP C C 175.7207 0.0000 1 52 9 9 TRP CA C 61.5371 0.0000 1 53 9 9 TRP CB C 29.9681 0.0000 1 54 9 9 TRP CD1 C 127.6089 0.0000 1 55 9 9 TRP CE3 C 121.1533 0.0000 1 56 9 9 TRP CZ2 C 115.4463 0.0000 1 57 9 9 TRP CZ3 C 122.3977 0.0000 1 58 9 9 TRP CH2 C 125.1761 0.0000 1 59 9 9 TRP N N 119.8248 0.0000 1 60 9 9 TRP NE1 N 128.9714 0.0000 1 61 10 10 LYS H H 7.3490 0.0000 1 62 10 10 LYS HA H 4.0776 0.0000 1 63 10 10 LYS HB2 H 1.9412 0.0000 2 64 10 10 LYS HG2 H 1.5417 0.0000 2 65 10 10 LYS HG3 H 0.8754 0.0000 2 66 10 10 LYS C C 174.8613 0.0000 1 67 10 10 LYS CA C 61.0086 0.0000 1 68 10 10 LYS CB C 30.1847 0.0000 1 69 10 10 LYS CG C 26.0958 0.0000 1 70 10 10 LYS N N 120.2468 0.0000 1 71 11 11 MET H H 7.8548 0.0000 1 72 11 11 MET HA H 4.0999 0.0000 1 73 11 11 MET HB2 H 2.2570 0.0000 2 74 11 11 MET HE H 2.0831 0.0000 1 75 11 11 MET C C 175.5634 0.0000 1 76 11 11 MET CA C 59.8934 0.0000 1 77 11 11 MET CB C 31.9697 0.0000 1 78 11 11 MET CE C 18.4386 0.0000 1 79 11 11 MET N N 117.4561 0.0000 1 80 12 12 ALA H H 7.9803 0.0000 1 81 12 12 ALA HA H 3.9771 0.0000 1 82 12 12 ALA HB H 1.1600 0.0000 1 83 12 12 ALA C C 182.6868 0.0000 1 84 12 12 ALA CA C 56.0635 0.0000 1 85 12 12 ALA CB C 19.2831 0.0000 1 86 12 12 ALA N N 122.6730 0.0000 1 87 13 13 ILE H H 8.4021 0.0000 1 88 13 13 ILE HA H 3.5141 0.0000 1 89 13 13 ILE HB H 2.1817 0.0000 1 90 13 13 ILE HG12 H 1.3476 0.0000 2 91 13 13 ILE HG2 H 1.1659 0.0000 1 92 13 13 ILE HD1 H 0.9349 0.0000 1 93 13 13 ILE C C 176.8478 0.0000 1 94 13 13 ILE CA C 65.2382 0.0000 1 95 13 13 ILE CB C 37.7414 0.0000 1 96 13 13 ILE CG1 C 29.8355 0.0000 1 97 13 13 ILE CG2 C 18.4184 0.0000 1 98 13 13 ILE CD1 C 13.4856 0.0000 1 99 13 13 ILE N N 117.6210 0.0000 1 100 14 14 LYS H H 8.1350 0.0000 1 101 14 14 LYS HA H 4.1780 0.0000 1 102 14 14 LYS HB2 H 2.1181 0.0000 2 103 14 14 LYS HG2 H 1.6233 0.0000 2 104 14 14 LYS HD2 H 1.8072 0.0000 2 105 14 14 LYS HE2 H 3.0462 0.0000 2 106 14 14 LYS C C 176.3535 0.0000 1 107 14 14 LYS CA C 60.7661 0.0000 1 108 14 14 LYS CB C 32.2776 0.0000 1 109 14 14 LYS CG C 25.4911 0.0000 1 110 14 14 LYS CD C 29.5841 0.0000 1 111 14 14 LYS CE C 42.3908 0.0000 1 112 14 14 LYS N N 122.1049 0.0000 1 113 15 15 ARG H H 8.1558 0.0000 1 114 15 15 ARG HA H 4.1400 0.0000 1 115 15 15 ARG HB2 H 1.9675 0.0000 2 116 15 15 ARG HG2 H 1.6164 0.0000 2 117 15 15 ARG HD2 H 3.2579 0.0000 2 118 15 15 ARG C C 176.8596 0.0000 1 119 15 15 ARG CA C 60.5562 0.0000 1 120 15 15 ARG CB C 31.7687 0.0000 1 121 15 15 ARG CG C 25.7673 0.0000 1 122 15 15 ARG CD C 44.4030 0.0000 1 123 15 15 ARG N N 119.4334 0.0000 1 124 16 16 CYS H H 7.7724 0.0000 1 125 16 16 CYS HA H 4.0906 0.0000 1 126 16 16 CYS HB2 H 3.1045 0.0000 2 127 16 16 CYS C C 172.8207 0.0000 1 128 16 16 CYS CA C 62.7722 0.0000 1 129 16 16 CYS CB C 29.2945 0.0000 1 130 16 16 CYS N N 115.9306 0.0000 1 131 17 17 SER H H 7.8990 0.0000 1 132 17 17 SER HA H 4.9493 0.0000 1 133 17 17 SER HB2 H 4.2470 0.0000 2 134 17 17 SER C C 170.8565 0.0000 1 135 17 17 SER CA C 61.1452 0.0000 1 136 17 17 SER CB C 63.6250 0.0000 1 137 17 17 SER N N 114.1757 0.0000 1 138 18 18 ASN H H 7.5972 0.0000 1 139 18 18 ASN HA H 5.0250 0.0000 1 140 18 18 ASN HB2 H 2.9405 0.0000 2 141 18 18 ASN HB3 H 2.7656 0.0000 2 142 18 18 ASN HD21 H 7.6300 0.0000 2 143 18 18 ASN C C 172.0811 0.0000 1 144 18 18 ASN CA C 53.5306 0.0000 1 145 18 18 ASN CB C 40.2364 0.0000 1 146 18 18 ASN N N 116.2742 0.0000 1 147 18 18 ASN ND2 N 113.8816 0.0000 1 148 19 19 VAL H H 7.9310 0.0000 1 149 19 19 VAL HA H 3.8534 0.0000 1 150 19 19 VAL HB H 2.4597 0.0000 1 151 19 19 VAL HG1 H 0.9791 0.0000 2 152 19 19 VAL C C 171.6916 0.0000 1 153 19 19 VAL CA C 63.6639 0.0000 1 154 19 19 VAL CB C 32.4537 0.0000 1 155 19 19 VAL CG1 C 21.8964 0.0000 2 156 19 19 VAL N N 122.2313 0.0000 1 157 20 20 ALA H H 8.1987 0.0000 1 158 20 20 ALA HA H 4.8228 0.0000 1 159 20 20 ALA HB H 1.5961 0.0000 1 160 20 20 ALA C C 174.6935 0.0000 1 161 20 20 ALA CA C 52.5129 0.0000 1 162 20 20 ALA CB C 20.5980 0.0000 1 163 20 20 ALA N N 129.1559 0.0000 1 164 21 21 VAL H H 8.3681 0.0000 1 165 21 21 VAL HA H 3.7670 0.0000 1 166 21 21 VAL HB H 1.6413 0.0000 1 167 21 21 VAL HG1 H 0.2255 0.0000 2 168 21 21 VAL HG2 H 0.2680 0.0000 2 169 21 21 VAL C C 173.5967 0.0000 1 170 21 21 VAL CA C 64.2547 0.0000 1 171 21 21 VAL CB C 32.3298 0.0000 1 172 21 21 VAL CG1 C 20.7685 0.0000 2 173 21 21 VAL N N 119.8919 0.0000 1 174 22 22 GLY H H 8.2348 0.0000 1 175 22 22 GLY HA2 H 4.2320 0.0000 2 176 22 22 GLY C C 170.6354 0.0000 1 177 22 22 GLY CA C 45.2316 0.0000 1 178 22 22 GLY N N 108.3831 0.0000 1 179 23 23 VAL HA H 4.2755 0.0000 1 180 23 23 VAL HB H 2.1159 0.0000 1 181 23 23 VAL HG1 H 0.9623 0.0000 2 182 23 23 VAL C C 177.0435 0.0000 1 183 23 23 VAL CA C 62.6215 0.0000 1 184 23 23 VAL CB C 34.2841 0.0000 1 185 23 23 VAL CG1 C 21.8147 0.0000 2 186 24 24 GLY H H 8.2509 0.0000 1 187 24 24 GLY HA2 H 4.0051 0.0000 2 188 24 24 GLY C C 171.6899 0.0000 1 189 24 24 GLY CA C 45.8123 0.0000 1 190 24 24 GLY N N 113.1729 0.0000 1 191 28 28 LYS HA H 4.6292 0.0000 1 192 28 28 LYS C C 172.9658 0.0000 1 193 28 28 LYS CA C 56.9379 0.0000 1 194 28 28 LYS CB C 34.0369 0.0000 1 195 29 29 LYS H H 8.4604 0.0000 1 196 29 29 LYS HA H 4.9679 0.0000 1 197 29 29 LYS HB2 H 2.3247 0.0000 2 198 29 29 LYS HB3 H 2.1929 0.0000 2 199 29 29 LYS HG2 H 1.4756 0.0000 2 200 29 29 LYS HD2 H 1.6812 0.0000 2 201 29 29 LYS C C 174.7849 0.0000 1 202 29 29 LYS CA C 55.0301 0.0000 1 203 29 29 LYS CB C 35.1074 0.0000 1 204 29 29 LYS CG C 25.8384 0.0000 1 205 29 29 LYS CD C 29.4531 0.0000 1 206 29 29 LYS N N 121.1803 0.0000 1 207 30 30 PHE H H 8.0612 0.0000 1 208 30 30 PHE HA H 3.9426 0.0000 1 209 30 30 PHE HB2 H 3.2340 0.0000 2 210 30 30 PHE HB3 H 3.2226 0.0000 2 211 30 30 PHE HD1 H 7.1086 0.0000 3 212 30 30 PHE HE1 H 7.1548 0.0000 3 213 30 30 PHE C C 172.9645 0.0000 1 214 30 30 PHE CA C 61.0326 0.0000 1 215 30 30 PHE CB C 42.5831 0.0000 1 216 30 30 PHE CD1 C 133.0021 0.0000 3 217 30 30 PHE CE1 C 129.4726 0.0000 3 218 30 30 PHE N N 119.1022 0.0000 1 219 31 31 GLY H H 8.4099 0.0000 1 220 31 31 GLY HA2 H 3.9535 0.0000 2 221 31 31 GLY C C 171.2130 0.0000 1 222 31 31 GLY CA C 45.2215 0.0000 1 223 31 31 GLY N N 107.0400 0.0000 1 224 32 32 GLU HA H 4.1550 0.0000 1 225 32 32 GLU HB2 H 2.1029 0.0000 2 226 32 32 GLU HG2 H 2.4067 0.0000 2 227 32 32 GLU CA C 59.7215 0.0000 1 228 32 32 GLU CB C 30.3076 0.0000 1 229 32 32 GLU CG C 37.4753 0.0000 1 230 33 33 GLY H H 6.9173 0.0000 1 231 33 33 GLY HA2 H 3.9804 0.0000 2 232 33 33 GLY C C 174.3973 0.0000 1 233 33 33 GLY CA C 47.8067 0.0000 1 234 33 33 GLY N N 104.5039 0.0000 1 235 34 34 ASN H H 7.9395 0.0000 1 236 34 34 ASN HA H 4.7061 0.0000 1 237 34 34 ASN HB2 H 2.9845 0.0000 2 238 34 34 ASN HB3 H 2.5423 0.0000 2 239 34 34 ASN HD22 H 6.9851 0.0000 2 240 34 34 ASN C C 174.3852 0.0000 1 241 34 34 ASN CA C 57.9808 0.0000 1 242 34 34 ASN CB C 39.6246 0.0000 1 243 34 34 ASN CG C 172.8467 0.0000 1 244 34 34 ASN N N 118.1171 0.0000 1 245 34 34 ASN ND2 N 112.0366 0.0000 1 246 35 35 PHE H H 7.2287 0.0000 1 247 35 35 PHE HA H 4.1473 0.0000 1 248 35 35 PHE HB2 H 3.0029 0.0000 2 249 35 35 PHE HD1 H 7.1008 0.0000 3 250 35 35 PHE HE1 H 7.4363 0.0000 3 251 35 35 PHE HZ H 8.0457 0.0000 1 252 35 35 PHE C C 174.0050 0.0000 1 253 35 35 PHE CA C 62.6494 0.0000 1 254 35 35 PHE CB C 39.9075 0.0000 1 255 35 35 PHE CD1 C 133.2012 0.0000 3 256 35 35 PHE CE1 C 131.9646 0.0000 3 257 35 35 PHE N N 117.4528 0.0000 1 258 36 36 ARG H H 8.2571 0.0000 1 259 36 36 ARG HA H 3.9840 0.0000 1 260 36 36 ARG HB2 H 1.9170 0.0000 2 261 36 36 ARG HG2 H 1.8003 0.0000 2 262 36 36 ARG HD2 H 3.2520 0.0000 2 263 36 36 ARG C C 175.8780 0.0000 1 264 36 36 ARG CA C 60.0845 0.0000 1 265 36 36 ARG CB C 30.3116 0.0000 1 266 36 36 ARG CG C 29.7741 0.0000 1 267 36 36 ARG CD C 43.5978 0.0000 1 268 36 36 ARG N N 117.9703 0.0000 1 269 37 37 TRP H H 8.1404 0.0000 1 270 37 37 TRP HA H 4.1566 0.0000 1 271 37 37 TRP HB2 H 3.5086 0.0000 2 272 37 37 TRP HD1 H 7.3616 0.0000 1 273 37 37 TRP HE1 H 10.3936 0.0000 1 274 37 37 TRP HE3 H 7.8423 0.0000 1 275 37 37 TRP HZ2 H 7.4544 0.0000 1 276 37 37 TRP HZ3 H 6.7384 0.0000 1 277 37 37 TRP HH2 H 7.6627 0.0000 1 278 37 37 TRP C C 174.7445 0.0000 1 279 37 37 TRP CA C 62.1675 0.0000 1 280 37 37 TRP CB C 29.0821 0.0000 1 281 37 37 TRP CD1 C 128.6001 0.0000 1 282 37 37 TRP CE3 C 121.7440 0.0000 1 283 37 37 TRP CZ3 C 120.3359 0.0000 1 284 37 37 TRP CH2 C 125.1632 0.0000 1 285 37 37 TRP N N 118.9876 0.0000 1 286 37 37 TRP NE1 N 130.7688 0.0000 1 287 38 38 ALA H H 8.3506 0.0000 1 288 38 38 ALA HA H 3.1327 0.0000 1 289 38 38 ALA HB H 1.6713 0.0000 1 290 38 38 ALA C C 176.4812 0.0000 1 291 38 38 ALA CA C 55.9761 0.0000 1 292 38 38 ALA CB C 20.0650 0.0000 1 293 38 38 ALA N N 120.0195 0.0000 1 294 39 39 ILE H H 8.1739 0.0000 1 295 39 39 ILE HA H 4.2920 0.0000 1 296 39 39 ILE HB H 1.6756 0.0000 1 297 39 39 ILE HG2 H 0.6583 0.0000 1 298 39 39 ILE HD1 H 0.9192 0.0000 1 299 39 39 ILE C C 172.5328 0.0000 1 300 39 39 ILE CA C 60.9832 0.0000 1 301 39 39 ILE CB C 38.4140 0.0000 1 302 39 39 ILE CG2 C 11.0706 0.0000 1 303 39 39 ILE CD1 C 14.4827 0.0000 1 304 39 39 ILE N N 115.4117 0.0000 1 305 40 40 ARG H H 7.0466 0.0000 1 306 40 40 ARG HA H 4.1591 0.0000 1 307 40 40 ARG HB2 H 1.7680 0.0000 2 308 40 40 ARG HG2 H 1.5572 0.0000 2 309 40 40 ARG HD2 H 3.0039 0.0000 2 310 40 40 ARG HD3 H 3.1795 0.0000 2 311 40 40 ARG C C 175.4902 0.0000 1 312 40 40 ARG CA C 61.0303 0.0000 1 313 40 40 ARG CB C 29.8157 0.0000 1 314 40 40 ARG CG C 25.8256 0.0000 1 315 40 40 ARG CD C 42.6199 0.0000 1 316 40 40 ARG N N 124.0331 0.0000 1 317 41 41 MET H H 7.8928 0.0000 1 318 41 41 MET HA H 4.0319 0.0000 1 319 41 41 MET HB2 H 1.1915 0.0000 2 320 41 41 MET HG2 H 2.1037 0.0000 2 321 41 41 MET HE H 1.7430 0.0000 1 322 41 41 MET C C 176.6342 0.0000 1 323 41 41 MET CA C 57.6038 0.0000 1 324 41 41 MET CB C 31.5002 0.0000 1 325 41 41 MET CG C 32.5118 0.0000 1 326 41 41 MET CE C 13.4844 0.0000 1 327 41 41 MET N N 117.6419 0.0000 1 328 42 42 ALA H H 8.6036 0.0000 1 329 42 42 ALA HA H 3.8109 0.0000 1 330 42 42 ALA HB H 1.3102 0.0000 1 331 42 42 ALA C C 176.7238 0.0000 1 332 42 42 ALA CA C 55.4940 0.0000 1 333 42 42 ALA CB C 20.4819 0.0000 1 334 42 42 ALA N N 123.3472 0.0000 1 335 43 43 ASN H H 8.5990 0.0000 1 336 43 43 ASN HA H 4.3149 0.0000 1 337 43 43 ASN HB2 H 2.9634 0.0000 2 338 43 43 ASN HB3 H 2.8776 0.0000 2 339 43 43 ASN HD21 H 7.1557 0.0000 2 340 43 43 ASN HD22 H 6.2868 0.0000 2 341 43 43 ASN C C 175.1786 0.0000 1 342 43 43 ASN CA C 56.1182 0.0000 1 343 43 43 ASN CB C 38.9349 0.0000 1 344 43 43 ASN N N 119.4313 0.0000 1 345 43 43 ASN ND2 N 108.5943 0.0000 1 346 44 44 VAL H H 8.4627 0.0000 1 347 44 44 VAL HA H 3.9489 0.0000 1 348 44 44 VAL HB H 2.1890 0.0000 1 349 44 44 VAL HG1 H 1.0871 0.0000 2 350 44 44 VAL C C 177.1582 0.0000 1 351 44 44 VAL CA C 66.5916 0.0000 1 352 44 44 VAL CB C 32.1900 0.0000 1 353 44 44 VAL CG1 C 22.1954 0.0000 2 354 44 44 VAL N N 118.3850 0.0000 1 355 45 45 SER H H 7.9932 0.0000 1 356 45 45 SER HA H 4.3706 0.0000 1 357 45 45 SER HB2 H 3.8676 0.0000 2 358 45 45 SER C C 171.3080 0.0000 1 359 45 45 SER CA C 61.7972 0.0000 1 360 45 45 SER CB C 64.2457 0.0000 1 361 45 45 SER N N 113.6901 0.0000 1 362 46 46 THR H H 7.5929 0.0000 1 363 46 46 THR HA H 4.6330 0.0000 1 364 46 46 THR HB H 4.5231 0.0000 1 365 46 46 THR HG2 H 1.1795 0.0000 1 366 46 46 THR C C 171.7893 0.0000 1 367 46 46 THR CA C 61.2088 0.0000 1 368 46 46 THR CB C 70.3005 0.0000 1 369 46 46 THR CG2 C 22.3895 0.0000 1 370 46 46 THR N N 106.5126 0.0000 1 371 47 47 GLY H H 7.5754 0.0000 1 372 47 47 GLY HA2 H 4.0914 0.0000 2 373 47 47 GLY HA3 H 3.8702 0.0000 2 374 47 47 GLY C C 171.7508 0.0000 1 375 47 47 GLY CA C 46.9143 0.0000 1 376 47 47 GLY N N 109.2609 0.0000 1 377 48 48 ARG H H 8.2613 0.0000 1 378 48 48 ARG HA H 4.3223 0.0000 1 379 48 48 ARG HB2 H 1.7480 0.0000 2 380 48 48 ARG HB3 H 1.2896 0.0000 2 381 48 48 ARG HG2 H 1.7119 0.0000 2 382 48 48 ARG HD2 H 3.2083 0.0000 2 383 48 48 ARG C C 173.1959 0.0000 1 384 48 48 ARG CA C 55.4683 0.0000 1 385 48 48 ARG CB C 32.7179 0.0000 1 386 48 48 ARG CG C 26.9811 0.0000 1 387 48 48 ARG CD C 44.5616 0.0000 1 388 48 48 ARG N N 120.6419 0.0000 1 389 49 49 GLU H H 8.7164 0.0000 1 390 49 49 GLU HA H 4.3835 0.0000 1 391 49 49 GLU HB2 H 1.8906 0.0000 2 392 49 49 GLU HG2 H 2.3505 0.0000 2 393 49 49 GLU C C 173.9894 0.0000 1 394 49 49 GLU CA C 55.5194 0.0000 1 395 49 49 GLU CB C 30.0935 0.0000 1 396 49 49 GLU CG C 38.1705 0.0000 1 397 49 49 GLU N N 122.5299 0.0000 1 398 50 50 PRO HA H 4.0079 0.0000 1 399 50 50 PRO HB2 H 1.9527 0.0000 2 400 50 50 PRO HG2 H 2.0554 0.0000 2 401 50 50 PRO HD2 H 3.8116 0.0000 2 402 50 50 PRO HD3 H 3.5811 0.0000 2 403 50 50 PRO C C 175.3821 0.0000 1 404 50 50 PRO CA C 66.4275 0.0000 1 405 50 50 PRO CB C 32.7665 0.0000 1 406 50 50 PRO CG C 28.5987 0.0000 1 407 50 50 PRO CD C 51.0829 0.0000 1 408 51 51 GLY H H 8.3743 0.0000 1 409 51 51 GLY HA2 H 4.0609 0.0000 2 410 51 51 GLY HA3 H 3.5341 0.0000 2 411 51 51 GLY C C 171.1129 0.0000 1 412 51 51 GLY CA C 45.5733 0.0000 1 413 51 51 GLY N N 102.4026 0.0000 1 414 52 52 ASP H H 7.2584 0.0000 1 415 52 52 ASP HA H 4.4233 0.0000 1 416 52 52 ASP HB2 H 2.6455 0.0000 2 417 52 52 ASP C C 173.0358 0.0000 1 418 52 52 ASP CA C 55.2461 0.0000 1 419 52 52 ASP CB C 41.6396 0.0000 1 420 52 52 ASP N N 120.8961 0.0000 1 421 53 53 ILE H H 8.2935 0.0000 1 422 53 53 ILE HA H 4.6110 0.0000 1 423 53 53 ILE HB H 1.9730 0.0000 1 424 53 53 ILE HG12 H 1.4070 0.0000 2 425 53 53 ILE HG2 H 0.9477 0.0000 1 426 53 53 ILE HD1 H 0.6910 0.0000 1 427 53 53 ILE C C 171.7300 0.0000 1 428 53 53 ILE CA C 57.4486 0.0000 1 429 53 53 ILE CB C 39.3327 0.0000 1 430 53 53 ILE CG1 C 27.3729 0.0000 1 431 53 53 ILE CG2 C 18.0507 0.0000 1 432 53 53 ILE CD1 C 11.7807 0.0000 1 433 53 53 ILE N N 127.7069 0.0000 1 434 54 54 PRO HA H 4.2827 0.0000 1 435 54 54 PRO HB2 H 2.0996 0.0000 2 436 54 54 PRO HG2 H 2.0402 0.0000 2 437 54 54 PRO HD2 H 3.7975 0.0000 2 438 54 54 PRO HD3 H 3.6604 0.0000 2 439 54 54 PRO C C 172.3932 0.0000 1 440 54 54 PRO CA C 63.6119 0.0000 1 441 54 54 PRO CB C 32.3039 0.0000 1 442 54 54 PRO CG C 28.4865 0.0000 1 443 54 54 PRO CD C 51.0998 0.0000 1 444 55 55 GLU H H 8.6392 0.0000 1 445 55 55 GLU HA H 4.5274 0.0000 1 446 55 55 GLU HB2 H 2.1650 0.0000 2 447 55 55 GLU HG2 H 2.4449 0.0000 2 448 55 55 GLU C C 173.9239 0.0000 1 449 55 55 GLU CA C 57.6931 0.0000 1 450 55 55 GLU CB C 32.9763 0.0000 1 451 55 55 GLU CG C 37.7881 0.0000 1 452 55 55 GLU N N 117.2341 0.0000 1 453 56 56 THR H H 7.3829 0.0000 1 454 56 56 THR HA H 4.5240 0.0000 1 455 56 56 THR HB H 2.5748 0.0000 1 456 56 56 THR HG2 H 1.2681 0.0000 1 457 56 56 THR C C 171.8773 0.0000 1 458 56 56 THR CA C 57.1802 0.0000 1 459 56 56 THR CB C 73.9018 0.0000 1 460 56 56 THR CG2 C 22.4781 0.0000 1 461 56 56 THR N N 104.7669 0.0000 1 462 57 57 LEU HA H 4.2796 0.0000 1 463 57 57 LEU HB2 H 2.6156 0.0000 2 464 57 57 LEU HG H 1.9655 0.0000 1 465 57 57 LEU HD1 H 0.9702 0.0000 2 466 57 57 LEU C C 175.4460 0.0000 1 467 57 57 LEU CA C 59.4071 0.0000 1 468 57 57 LEU CB C 41.3109 0.0000 1 469 57 57 LEU CG C 29.2599 0.0000 1 470 57 57 LEU CD1 C 25.8864 0.0000 2 471 58 58 ASP H H 8.6092 0.0000 1 472 58 58 ASP HA H 4.3478 0.0000 1 473 58 58 ASP HB2 H 2.7048 0.0000 2 474 58 58 ASP C C 175.6372 0.0000 1 475 58 58 ASP CA C 59.0527 0.0000 1 476 58 58 ASP CB C 41.2068 0.0000 1 477 58 58 ASP N N 118.7658 0.0000 1 478 59 59 GLN H H 7.8453 0.0000 1 479 59 59 GLN HA H 4.0712 0.0000 1 480 59 59 GLN HB2 H 2.2454 0.0000 2 481 59 59 GLN HG2 H 2.4505 0.0000 2 482 59 59 GLN HE21 H 7.2317 0.0000 2 483 59 59 GLN HE22 H 7.4905 0.0000 2 484 59 59 GLN C C 176.6331 0.0000 1 485 59 59 GLN CA C 59.5674 0.0000 1 486 59 59 GLN CB C 30.0396 0.0000 1 487 59 59 GLN CG C 34.7652 0.0000 1 488 59 59 GLN N N 117.5157 0.0000 1 489 59 59 GLN NE2 N 111.6403 0.0000 1 490 60 60 LEU H H 8.2097 0.0000 1 491 60 60 LEU HA H 4.1076 0.0000 1 492 60 60 LEU HB2 H 2.0091 0.0000 2 493 60 60 LEU HB3 H 1.5267 0.0000 2 494 60 60 LEU HG H 0.7878 0.0000 1 495 60 60 LEU HD1 H 1.0170 0.0000 2 496 60 60 LEU HD2 H 0.6153 0.0000 2 497 60 60 LEU C C 175.1337 0.0000 1 498 60 60 LEU CA C 57.6164 0.0000 1 499 60 60 LEU CB C 42.0887 0.0000 1 500 60 60 LEU CG C 26.4418 0.0000 1 501 60 60 LEU CD1 C 24.3266 0.0000 2 502 60 60 LEU CD2 C 22.8536 0.0000 2 503 60 60 LEU N N 121.8077 0.0000 1 504 61 61 ARG H H 9.1526 0.0000 1 505 61 61 ARG HA H 4.1285 0.0000 1 506 61 61 ARG HB2 H 2.0180 0.0000 2 507 61 61 ARG HG2 H 1.5633 0.0000 2 508 61 61 ARG HD2 H 3.2141 0.0000 2 509 61 61 ARG C C 176.4367 0.0000 1 510 61 61 ARG CA C 59.9453 0.0000 1 511 61 61 ARG CB C 32.2680 0.0000 1 512 61 61 ARG CG C 26.2606 0.0000 1 513 61 61 ARG CD C 44.0654 0.0000 1 514 61 61 ARG N N 118.1981 0.0000 1 515 62 62 LEU H H 7.7897 0.0000 1 516 62 62 LEU HA H 4.0222 0.0000 1 517 62 62 LEU HB2 H 1.9567 0.0000 2 518 62 62 LEU HB3 H 1.5841 0.0000 2 519 62 62 LEU HG H 1.7744 0.0000 1 520 62 62 LEU HD1 H 0.9340 0.0000 2 521 62 62 LEU C C 175.3543 0.0000 1 522 62 62 LEU CA C 59.8235 0.0000 1 523 62 62 LEU CB C 42.0872 0.0000 1 524 62 62 LEU CG C 27.1930 0.0000 1 525 62 62 LEU CD1 C 25.7572 0.0000 2 526 62 62 LEU N N 119.0092 0.0000 1 527 63 63 VAL H H 7.4249 0.0000 1 528 63 63 VAL HA H 3.6099 0.0000 1 529 63 63 VAL HB H 2.3164 0.0000 1 530 63 63 VAL HG1 H 1.1787 0.0000 2 531 63 63 VAL HG2 H 0.8038 0.0000 2 532 63 63 VAL C C 175.1427 0.0000 1 533 63 63 VAL CA C 66.9324 0.0000 1 534 63 63 VAL CB C 32.4692 0.0000 1 535 63 63 VAL CG1 C 22.9169 0.0000 2 536 63 63 VAL CG2 C 22.6758 0.0000 2 537 63 63 VAL N N 119.0664 0.0000 1 538 64 64 ILE H H 8.2171 0.0000 1 539 64 64 ILE HA H 4.1182 0.0000 1 540 64 64 ILE HB H 2.3484 0.0000 1 541 64 64 ILE HG12 H 0.9180 0.0000 2 542 64 64 ILE HG13 H 0.8792 0.0000 2 543 64 64 ILE HD1 H 0.9295 0.0000 1 544 64 64 ILE C C 175.4891 0.0000 1 545 64 64 ILE CA C 67.3866 0.0000 1 546 64 64 ILE CB C 37.5417 0.0000 1 547 64 64 ILE CG1 C 18.4852 0.0000 1 548 64 64 ILE CD1 C 14.4674 0.0000 1 549 64 64 ILE N N 119.4651 0.0000 1 550 65 65 CYS H H 9.0564 0.0000 1 551 65 65 CYS HA H 4.3544 0.0000 1 552 65 65 CYS HB2 H 3.0676 0.0000 2 553 65 65 CYS HB3 H 3.1756 0.0000 2 554 65 65 CYS C C 174.8516 0.0000 1 555 65 65 CYS CA C 64.2970 0.0000 1 556 65 65 CYS CB C 27.0368 0.0000 1 557 65 65 CYS N N 118.7421 0.0000 1 558 66 66 ASP H H 8.5383 0.0000 1 559 66 66 ASP HA H 4.3999 0.0000 1 560 66 66 ASP HB2 H 2.7940 0.0000 2 561 66 66 ASP HB3 H 2.7212 0.0000 2 562 66 66 ASP C C 176.6180 0.0000 1 563 66 66 ASP CA C 58.5137 0.0000 1 564 66 66 ASP CB C 40.9924 0.0000 1 565 66 66 ASP N N 120.9268 0.0000 1 566 67 67 LEU H H 8.6009 0.0000 1 567 67 67 LEU HA H 4.0358 0.0000 1 568 67 67 LEU HB2 H 1.7641 0.0000 2 569 67 67 LEU HB3 H 1.7855 0.0000 2 570 67 67 LEU HG H 0.9146 0.0000 1 571 67 67 LEU HD1 H 1.1182 0.0000 2 572 67 67 LEU HD2 H 0.5477 0.0000 2 573 67 67 LEU C C 175.8324 0.0000 1 574 67 67 LEU CA C 58.1050 0.0000 1 575 67 67 LEU CB C 42.7966 0.0000 1 576 67 67 LEU CG C 26.0964 0.0000 1 577 67 67 LEU CD1 C 22.2714 0.0000 2 578 67 67 LEU CD2 C 22.5934 0.0000 2 579 67 67 LEU N N 122.6452 0.0000 1 580 68 68 GLN H H 8.9866 0.0000 1 581 68 68 GLN HA H 4.0118 0.0000 1 582 68 68 GLN HB2 H 2.3462 0.0000 2 583 68 68 GLN HB3 H 1.7678 0.0000 2 584 68 68 GLN HG2 H 2.7664 0.0000 2 585 68 68 GLN HG3 H 2.3752 0.0000 2 586 68 68 GLN HE21 H 7.6437 0.0000 2 587 68 68 GLN HE22 H 7.6013 0.0000 2 588 68 68 GLN C C 176.0183 0.0000 1 589 68 68 GLN CA C 61.1319 0.0000 1 590 68 68 GLN CB C 28.8145 0.0000 1 591 68 68 GLN CG C 36.4908 0.0000 1 592 68 68 GLN N N 119.4960 0.0000 1 593 68 68 GLN NE2 N 111.5078 0.0000 1 594 69 69 GLU H H 8.4683 0.0000 1 595 69 69 GLU HA H 4.1956 0.0000 1 596 69 69 GLU HB2 H 2.1809 0.0000 2 597 69 69 GLU HG2 H 2.3794 0.0000 2 598 69 69 GLU C C 176.3475 0.0000 1 599 69 69 GLU CA C 61.0395 0.0000 1 600 69 69 GLU CB C 30.0537 0.0000 1 601 69 69 GLU CG C 37.3077 0.0000 1 602 69 69 GLU N N 120.3747 0.0000 1 603 70 70 ARG H H 7.9277 0.0000 1 604 70 70 ARG HA H 4.2522 0.0000 1 605 70 70 ARG HB2 H 2.1460 0.0000 2 606 70 70 ARG HG2 H 1.7835 0.0000 2 607 70 70 ARG HD2 H 3.2086 0.0000 2 608 70 70 ARG C C 175.7275 0.0000 1 609 70 70 ARG CA C 59.2265 0.0000 1 610 70 70 ARG CB C 29.6985 0.0000 1 611 70 70 ARG CG C 27.5106 0.0000 1 612 70 70 ARG CD C 44.4791 0.0000 1 613 70 70 ARG N N 119.5471 0.0000 1 614 71 71 ARG H H 8.2505 0.0000 1 615 71 71 ARG HA H 4.1833 0.0000 1 616 71 71 ARG HB2 H 2.0771 0.0000 2 617 71 71 ARG HB3 H 1.7628 0.0000 2 618 71 71 ARG HG2 H 1.7693 0.0000 2 619 71 71 ARG HD2 H 3.1925 0.0000 2 620 71 71 ARG C C 175.8818 0.0000 1 621 71 71 ARG CA C 59.6758 0.0000 1 622 71 71 ARG CB C 30.1375 0.0000 1 623 71 71 ARG CG C 27.5929 0.0000 1 624 71 71 ARG CD C 44.7533 0.0000 1 625 71 71 ARG N N 120.1262 0.0000 1 626 72 72 GLU H H 8.0148 0.0000 1 627 72 72 GLU HA H 4.0838 0.0000 1 628 72 72 GLU HB2 H 2.1639 0.0000 2 629 72 72 GLU HG2 H 2.3853 0.0000 2 630 72 72 GLU C C 175.2527 0.0000 1 631 72 72 GLU CA C 59.5792 0.0000 1 632 72 72 GLU CB C 29.8957 0.0000 1 633 72 72 GLU CG C 36.8688 0.0000 1 634 72 72 GLU N N 118.8859 0.0000 1 635 73 73 LYS H H 7.8435 0.0000 1 636 73 73 LYS HA H 4.0692 0.0000 1 637 73 73 LYS HB2 H 1.3259 0.0000 2 638 73 73 LYS HB3 H 1.2242 0.0000 2 639 73 73 LYS HG2 H 0.9783 0.0000 2 640 73 73 LYS HG3 H 0.9753 0.0000 2 641 73 73 LYS HD2 H 1.7467 0.0000 2 642 73 73 LYS HE2 H 3.2022 0.0000 2 643 73 73 LYS C C 175.2998 0.0000 1 644 73 73 LYS CA C 59.7657 0.0000 1 645 73 73 LYS CB C 34.2487 0.0000 1 646 73 73 LYS CG C 25.7716 0.0000 1 647 73 73 LYS CD C 27.6872 0.0000 1 648 73 73 LYS CE C 44.5260 0.0000 1 649 73 73 LYS N N 117.1377 0.0000 1 650 74 74 PHE H H 8.5331 0.0000 1 651 74 74 PHE HA H 4.0888 0.0000 1 652 74 74 PHE HB2 H 3.4457 0.0000 2 653 74 74 PHE HB3 H 2.9902 0.0000 2 654 74 74 PHE HD1 H 7.3800 0.0000 3 655 74 74 PHE C C 173.9096 0.0000 1 656 74 74 PHE CA C 59.1838 0.0000 1 657 74 74 PHE CB C 40.9755 0.0000 1 658 74 74 PHE CD1 C 132.5954 0.0000 3 659 74 74 PHE N N 114.9073 0.0000 1 660 75 75 GLY H H 7.7939 0.0000 1 661 75 75 GLY HA2 H 4.5664 0.0000 2 662 75 75 GLY HA3 H 3.9425 0.0000 2 663 75 75 GLY C C 170.3300 0.0000 1 664 75 75 GLY CA C 45.4308 0.0000 1 665 75 75 GLY N N 109.8880 0.0000 1 666 76 76 SER H H 8.4000 0.0000 1 667 76 76 SER C C 171.6910 0.0000 1 668 76 76 SER CA C 57.6835 0.0000 1 669 76 76 SER CB C 65.3699 0.0000 1 670 76 76 SER N N 113.1099 0.0000 1 671 77 77 SER H H 8.1565 0.0000 1 672 77 77 SER HA H 4.5737 0.0000 1 673 77 77 SER HB2 H 3.8987 0.0000 2 674 77 77 SER C C 172.5115 0.0000 1 675 77 77 SER CA C 57.6877 0.0000 1 676 77 77 SER CB C 65.5869 0.0000 1 677 77 77 SER N N 114.8708 0.0000 1 678 78 78 LYS HA H 4.0264 0.0000 1 679 78 78 LYS HB2 H 2.0119 0.0000 2 680 78 78 LYS C C 176.6330 0.0000 1 681 78 78 LYS CA C 60.3251 0.0000 1 682 78 78 LYS CB C 32.6842 0.0000 1 683 79 79 GLU H H 8.8162 0.0000 1 684 79 79 GLU HA H 4.3290 0.0000 1 685 79 79 GLU HB2 H 2.2070 0.0000 2 686 79 79 GLU HG2 H 2.3792 0.0000 2 687 79 79 GLU C C 175.7480 0.0000 1 688 79 79 GLU CA C 61.8798 0.0000 1 689 79 79 GLU CB C 30.1188 0.0000 1 690 79 79 GLU CG C 37.7175 0.0000 1 691 79 79 GLU N N 117.9162 0.0000 1 692 80 80 ILE H H 7.8753 0.0000 1 693 80 80 ILE HA H 3.7368 0.0000 1 694 80 80 ILE HB H 2.0056 0.0000 1 695 80 80 ILE HG2 H 1.0521 0.0000 1 696 80 80 ILE HD1 H 0.9249 0.0000 1 697 80 80 ILE C C 174.9253 0.0000 1 698 80 80 ILE CA C 65.7849 0.0000 1 699 80 80 ILE CB C 37.9288 0.0000 1 700 80 80 ILE CG2 C 18.4065 0.0000 1 701 80 80 ILE CD1 C 13.4523 0.0000 1 702 80 80 ILE N N 120.5974 0.0000 1 703 81 81 ASP H H 8.4149 0.0000 1 704 81 81 ASP HA H 4.2622 0.0000 1 705 81 81 ASP HB2 H 2.9056 0.0000 2 706 81 81 ASP C C 176.9146 0.0000 1 707 81 81 ASP CA C 60.1966 0.0000 1 708 81 81 ASP CB C 39.5895 0.0000 1 709 81 81 ASP N N 120.5396 0.0000 1 710 82 82 MET H H 8.2452 0.0000 1 711 82 82 MET HA H 4.6271 0.0000 1 712 82 82 MET HB2 H 2.4139 0.0000 2 713 82 82 MET HG2 H 2.9823 0.0000 2 714 82 82 MET HE H 2.0017 0.0000 1 715 82 82 MET C C 177.1098 0.0000 1 716 82 82 MET CA C 57.6012 0.0000 1 717 82 82 MET CB C 33.2849 0.0000 1 718 82 82 MET CG C 32.0184 0.0000 1 719 82 82 MET CE C 17.8891 0.0000 1 720 82 82 MET N N 118.6281 0.0000 1 721 83 83 ALA H H 9.0031 0.0000 1 722 83 83 ALA HA H 4.1446 0.0000 1 723 83 83 ALA HB H 1.3873 0.0000 1 724 83 83 ALA C C 175.9822 0.0000 1 725 83 83 ALA CA C 57.6020 0.0000 1 726 83 83 ALA CB C 17.9679 0.0000 1 727 83 83 ALA N N 127.4257 0.0000 1 728 84 84 ILE H H 8.4345 0.0000 1 729 84 84 ILE HA H 3.4005 0.0000 1 730 84 84 ILE HB H 2.4098 0.0000 1 731 84 84 ILE HG2 H 0.9693 0.0000 1 732 84 84 ILE HD1 H 0.9214 0.0000 1 733 84 84 ILE C C 174.8200 0.0000 1 734 84 84 ILE CA C 67.9215 0.0000 1 735 84 84 ILE CB C 37.6423 0.0000 1 736 84 84 ILE CG2 C 18.6899 0.0000 1 737 84 84 ILE CD1 C 14.1207 0.0000 1 738 84 84 ILE N N 116.2860 0.0000 1 739 85 85 VAL H H 7.8380 0.0000 1 740 85 85 VAL HA H 3.5929 0.0000 1 741 85 85 VAL HB H 2.2882 0.0000 1 742 85 85 VAL HG1 H 1.0904 0.0000 2 743 85 85 VAL HG2 H 0.7807 0.0000 2 744 85 85 VAL C C 174.5542 0.0000 1 745 85 85 VAL CA C 67.5471 0.0000 1 746 85 85 VAL CB C 32.4512 0.0000 1 747 85 85 VAL CG1 C 22.7801 0.0000 2 748 85 85 VAL CG2 C 22.6875 0.0000 2 749 85 85 VAL N N 117.6716 0.0000 1 750 86 86 THR H H 8.2551 0.0000 1 751 86 86 THR HA H 3.6742 0.0000 1 752 86 86 THR HB H 4.3797 0.0000 1 753 86 86 THR HG2 H 1.6552 0.0000 1 754 86 86 THR C C 176.3248 0.0000 1 755 86 86 THR CA C 68.3015 0.0000 1 756 86 86 THR CB C 69.3749 0.0000 1 757 86 86 THR CG2 C 20.0615 0.0000 1 758 86 86 THR N N 116.7376 0.0000 1 759 87 87 LEU H H 7.9705 0.0000 1 760 87 87 LEU HA H 4.1794 0.0000 1 761 87 87 LEU HB2 H 1.9686 0.0000 2 762 87 87 LEU HB3 H 1.5871 0.0000 2 763 87 87 LEU HG H 1.7644 0.0000 1 764 87 87 LEU HD1 H 0.7086 0.0000 2 765 87 87 LEU C C 175.9490 0.0000 1 766 87 87 LEU CA C 58.9101 0.0000 1 767 87 87 LEU CB C 42.2037 0.0000 1 768 87 87 LEU CG C 27.6275 0.0000 1 769 87 87 LEU CD1 C 22.6563 0.0000 2 770 87 87 LEU N N 119.8074 0.0000 1 771 88 88 LYS H H 8.0842 0.0000 1 772 88 88 LYS HA H 4.0976 0.0000 1 773 88 88 LYS HB2 H 1.9290 0.0000 2 774 88 88 LYS HG2 H 1.0279 0.0000 2 775 88 88 LYS C C 176.2940 0.0000 1 776 88 88 LYS CA C 59.8413 0.0000 1 777 88 88 LYS CB C 33.2311 0.0000 1 778 88 88 LYS CG C 24.3403 0.0000 1 779 88 88 LYS N N 120.4049 0.0000 1 780 89 89 VAL H H 8.3516 0.0000 1 781 89 89 VAL HA H 3.5574 0.0000 1 782 89 89 VAL HB H 2.2881 0.0000 1 783 89 89 VAL HG1 H 1.0229 0.0000 2 784 89 89 VAL HG2 H 0.9679 0.0000 2 785 89 89 VAL C C 174.4152 0.0000 1 786 89 89 VAL CA C 67.6667 0.0000 1 787 89 89 VAL CB C 32.7502 0.0000 1 788 89 89 VAL CG1 C 23.3398 0.0000 2 789 89 89 VAL N N 118.9826 0.0000 1 790 90 90 PHE H H 8.0367 0.0000 1 791 90 90 PHE HA H 3.9037 0.0000 1 792 90 90 PHE HB2 H 3.0728 0.0000 2 793 90 90 PHE HD1 H 6.2676 0.0000 3 794 90 90 PHE HE1 H 6.6197 0.0000 3 795 90 90 PHE HZ H 6.8823 0.0000 1 796 90 90 PHE C C 174.9044 0.0000 1 797 90 90 PHE CA C 62.8024 0.0000 1 798 90 90 PHE CB C 39.6025 0.0000 1 799 90 90 PHE CD1 C 131.7953 0.0000 3 800 90 90 PHE CE1 C 131.2674 0.0000 3 801 90 90 PHE CZ C 128.2200 0.0000 1 802 90 90 PHE N N 119.2618 0.0000 1 803 91 91 ALA H H 8.2700 0.0000 1 804 91 91 ALA HA H 3.8072 0.0000 1 805 91 91 ALA HB H 1.6793 0.0000 1 806 91 91 ALA C C 174.6671 0.0000 1 807 91 91 ALA CA C 56.6683 0.0000 1 808 91 91 ALA CB C 19.4905 0.0000 1 809 91 91 ALA N N 118.6148 0.0000 1 810 92 92 VAL H H 8.1899 0.0000 1 811 92 92 VAL HA H 3.5934 0.0000 1 812 92 92 VAL HB H 2.0094 0.0000 1 813 92 92 VAL HG1 H 1.1686 0.0000 2 814 92 92 VAL C C 172.6908 0.0000 1 815 92 92 VAL CA C 67.3015 0.0000 1 816 92 92 VAL CB C 33.7619 0.0000 1 817 92 92 VAL CG1 C 23.7703 0.0000 2 818 92 92 VAL N N 113.4637 0.0000 1 819 93 93 ALA H H 8.6059 0.0000 1 820 93 93 ALA HA H 4.7251 0.0000 1 821 93 93 ALA HB H 1.3396 0.0000 1 822 93 93 ALA C C 175.7353 0.0000 1 823 93 93 ALA CA C 53.5209 0.0000 1 824 93 93 ALA CB C 20.1467 0.0000 1 825 93 93 ALA N N 118.7767 0.0000 1 826 94 94 GLY H H 6.9694 0.0000 1 827 94 94 GLY HA2 H 3.8012 0.0000 2 828 94 94 GLY C C 171.4467 0.0000 1 829 94 94 GLY CA C 47.1858 0.0000 1 830 94 94 GLY N N 105.0795 0.0000 1 831 95 95 LEU H H 7.7642 0.0000 1 832 95 95 LEU HA H 4.1051 0.0000 1 833 95 95 LEU HB2 H 2.1109 0.0000 2 834 95 95 LEU HB3 H 1.5218 0.0000 2 835 95 95 LEU HG H 1.2493 0.0000 1 836 95 95 LEU HD1 H 0.5649 0.0000 2 837 95 95 LEU C C 176.5315 0.0000 1 838 95 95 LEU CA C 57.8772 0.0000 1 839 95 95 LEU CB C 41.9521 0.0000 1 840 95 95 LEU CG C 27.8511 0.0000 1 841 95 95 LEU CD1 C 22.8608 0.0000 2 842 95 95 LEU N N 120.7418 0.0000 1 843 96 96 LEU H H 7.7466 0.0000 1 844 96 96 LEU HA H 4.3585 0.0000 1 845 96 96 LEU HB2 H 1.5574 0.0000 2 846 96 96 LEU HG H 1.5849 0.0000 1 847 96 96 LEU HD1 H 0.9034 0.0000 2 848 96 96 LEU C C 174.0608 0.0000 1 849 96 96 LEU CA C 55.7615 0.0000 1 850 96 96 LEU CB C 42.5859 0.0000 1 851 96 96 LEU CG C 27.6529 0.0000 1 852 96 96 LEU CD1 C 23.3221 0.0000 2 853 96 96 LEU N N 115.7195 0.0000 1 854 97 97 ASN H H 6.7074 0.0000 1 855 97 97 ASN HA H 4.2765 0.0000 1 856 97 97 ASN HB2 H 3.1733 0.0000 2 857 97 97 ASN HB3 H 2.3437 0.0000 2 858 97 97 ASN HD21 H 7.3299 0.0000 2 859 97 97 ASN HD22 H 6.4703 0.0000 2 860 97 97 ASN C C 171.5298 0.0000 1 861 97 97 ASN CA C 54.8298 0.0000 1 862 97 97 ASN CB C 37.9889 0.0000 1 863 97 97 ASN N N 112.5459 0.0000 1 864 97 97 ASN ND2 N 108.6089 0.0000 1 865 98 98 MET H H 8.2009 0.0000 1 866 98 98 MET HA H 4.6180 0.0000 1 867 98 98 MET HE H 2.1578 0.0000 1 868 98 98 MET C C 173.9225 0.0000 1 869 98 98 MET CA C 55.3882 0.0000 1 870 98 98 MET CE C 18.2432 0.0000 1 871 98 98 MET N N 116.3011 0.0000 1 872 99 99 THR HA H 4.2517 0.0000 1 873 99 99 THR HB H 4.1072 0.0000 1 874 99 99 THR HG2 H 1.1811 0.0000 1 875 99 99 THR C C 171.5181 0.0000 1 876 99 99 THR CA C 63.2681 0.0000 1 877 99 99 THR CB C 69.3868 0.0000 1 878 99 99 THR CG2 C 22.2433 0.0000 1 879 100 100 VAL H H 7.9548 0.0000 1 880 100 100 VAL HA H 4.6361 0.0000 1 881 100 100 VAL HB H 2.1535 0.0000 1 882 100 100 VAL HG1 H 0.9368 0.0000 2 883 100 100 VAL HG2 H 0.9638 0.0000 2 884 100 100 VAL C C 172.5230 0.0000 1 885 100 100 VAL CA C 60.1525 0.0000 1 886 100 100 VAL CB C 35.5674 0.0000 1 887 100 100 VAL CG1 C 23.6938 0.0000 2 888 100 100 VAL CG2 C 20.8100 0.0000 2 889 100 100 VAL N N 121.1750 0.0000 1 890 101 101 SER H H 8.0635 0.0000 1 891 101 101 SER HA H 4.2870 0.0000 1 892 101 101 SER HB2 H 4.1198 0.0000 2 893 101 101 SER C C 173.1813 0.0000 1 894 101 101 SER CA C 59.1621 0.0000 1 895 101 101 SER CB C 60.2148 0.0000 1 896 102 102 THR H H 7.2798 0.0000 1 897 102 102 THR HA H 5.4863 0.0000 1 898 102 102 THR HB H 4.6558 0.0000 1 899 102 102 THR HG2 H 1.3101 0.0000 1 900 102 102 THR C C 172.0073 0.0000 1 901 102 102 THR CA C 60.3059 0.0000 1 902 102 102 THR CB C 74.6836 0.0000 1 903 102 102 THR CG2 C 22.7360 0.0000 1 904 102 102 THR N N 109.7245 0.0000 1 905 103 103 ALA H H 8.4682 0.0000 1 906 103 103 ALA HA H 4.0016 0.0000 1 907 103 103 ALA HB H 1.7389 0.0000 1 908 103 103 ALA C C 175.9079 0.0000 1 909 103 103 ALA CA C 55.6587 0.0000 1 910 103 103 ALA CB C 19.2074 0.0000 1 911 103 103 ALA N N 123.9939 0.0000 1 912 104 104 ALA H H 8.4964 0.0000 1 913 104 104 ALA HA H 4.3506 0.0000 1 914 104 104 ALA HB H 1.5137 0.0000 1 915 104 104 ALA C C 177.9654 0.0000 1 916 104 104 ALA CA C 56.3317 0.0000 1 917 104 104 ALA CB C 19.3215 0.0000 1 918 104 104 ALA N N 119.4878 0.0000 1 919 105 105 ALA H H 8.0662 0.0000 1 920 105 105 ALA HA H 4.3297 0.0000 1 921 105 105 ALA HB H 1.5744 0.0000 1 922 105 105 ALA C C 178.4076 0.0000 1 923 105 105 ALA CA C 55.5200 0.0000 1 924 105 105 ALA CB C 19.1421 0.0000 1 925 105 105 ALA N N 120.8562 0.0000 1 926 106 106 ALA H H 8.1073 0.0000 1 927 106 106 ALA HA H 4.0873 0.0000 1 928 106 106 ALA HB H 1.6193 0.0000 1 929 106 106 ALA C C 175.9854 0.0000 1 930 106 106 ALA CA C 56.7356 0.0000 1 931 106 106 ALA CB C 19.7431 0.0000 1 932 106 106 ALA N N 121.5012 0.0000 1 933 107 107 GLU H H 8.7279 0.0000 1 934 107 107 GLU HA H 3.7992 0.0000 1 935 107 107 GLU HB2 H 2.2644 0.0000 2 936 107 107 GLU HG2 H 2.2827 0.0000 2 937 107 107 GLU C C 176.2288 0.0000 1 938 107 107 GLU CA C 61.3714 0.0000 1 939 107 107 GLU CB C 31.3883 0.0000 1 940 107 107 GLU CG C 38.1880 0.0000 1 941 107 107 GLU N N 118.5072 0.0000 1 942 108 108 ASN H H 8.0543 0.0000 1 943 108 108 ASN HA H 4.3876 0.0000 1 944 108 108 ASN HB2 H 2.9430 0.0000 2 945 108 108 ASN HD21 H 7.7260 0.0000 2 946 108 108 ASN HD22 H 6.9862 0.0000 2 947 108 108 ASN C C 174.9319 0.0000 1 948 108 108 ASN CA C 57.3303 0.0000 1 949 108 108 ASN CB C 39.3480 0.0000 1 950 108 108 ASN CG C 172.8956 0.0000 1 951 108 108 ASN N N 118.2540 0.0000 1 952 108 108 ASN ND2 N 112.5490 0.0000 1 953 109 109 MET H H 8.4458 0.0000 1 954 109 109 MET HA H 4.1939 0.0000 1 955 109 109 MET HB2 H 2.1639 0.0000 2 956 109 109 MET HG2 H 2.3870 0.0000 2 957 109 109 MET HE H 1.0178 0.0000 1 958 109 109 MET C C 174.2374 0.0000 1 959 109 109 MET CA C 59.3009 0.0000 1 960 109 109 MET CB C 33.4719 0.0000 1 961 109 109 MET CG C 37.1832 0.0000 1 962 109 109 MET CE C 18.5345 0.0000 1 963 109 109 MET N N 120.2659 0.0000 1 964 110 110 TYR H H 8.6697 0.0000 1 965 110 110 TYR HA H 3.7149 0.0000 1 966 110 110 TYR HB2 H 3.3791 0.0000 2 967 110 110 TYR HB3 H 2.9955 0.0000 2 968 110 110 TYR HD1 H 7.0562 0.0000 3 969 110 110 TYR HE1 H 6.4356 0.0000 3 970 110 110 TYR C C 174.0183 0.0000 1 971 110 110 TYR CA C 63.6120 0.0000 1 972 110 110 TYR CB C 39.7059 0.0000 1 973 110 110 TYR CD1 C 134.0049 0.0000 3 974 110 110 TYR CE1 C 118.5518 0.0000 3 975 110 110 TYR N N 120.6417 0.0000 1 976 111 111 SER H H 7.4352 0.0000 1 977 111 111 SER HA H 4.5529 0.0000 1 978 111 111 SER HB2 H 4.1397 0.0000 2 979 111 111 SER C C 176.4401 0.0000 1 980 111 111 SER CA C 61.8567 0.0000 1 981 111 111 SER CB C 63.8781 0.0000 1 982 111 111 SER N N 110.6246 0.0000 1 983 112 112 GLN H H 8.8186 0.0000 1 984 112 112 GLN HA H 4.0512 0.0000 1 985 112 112 GLN HB2 H 2.1985 0.0000 2 986 112 112 GLN HG2 H 2.4239 0.0000 2 987 112 112 GLN HE21 H 7.4981 0.0000 2 988 112 112 GLN HE22 H 6.8045 0.0000 2 989 112 112 GLN C C 175.7049 0.0000 1 990 112 112 GLN CA C 60.1150 0.0000 1 991 112 112 GLN CB C 29.8294 0.0000 1 992 112 112 GLN CG C 34.7777 0.0000 1 993 112 112 GLN CD C 177.2162 0.0000 1 994 112 112 GLN N N 125.3371 0.0000 1 995 112 112 GLN NE2 N 111.3403 0.0000 1 996 113 113 MET H H 8.0813 0.0000 1 997 113 113 MET HA H 4.3164 0.0000 1 998 113 113 MET HB2 H 2.1349 0.0000 2 999 113 113 MET HG2 H 2.6142 0.0000 2 1000 113 113 MET HE H 2.1269 0.0000 1 1001 113 113 MET C C 173.2649 0.0000 1 1002 113 113 MET CA C 57.0732 0.0000 1 1003 113 113 MET CB C 34.3082 0.0000 1 1004 113 113 MET CG C 33.5281 0.0000 1 1005 113 113 MET CE C 17.8743 0.0000 1 1006 113 113 MET N N 114.5725 0.0000 1 1007 114 114 GLY H H 8.0158 0.0000 1 1008 114 114 GLY HA2 H 3.9912 0.0000 2 1009 114 114 GLY C C 173.2218 0.0000 1 1010 114 114 GLY CA C 46.5740 0.0000 1 1011 114 114 GLY N N 107.4227 0.0000 1 1012 115 115 LEU H H 7.5034 0.0000 1 1013 115 115 LEU HA H 3.9104 0.0000 1 1014 115 115 LEU HB2 H 0.5663 0.0000 2 1015 115 115 LEU HG H 0.9364 0.0000 1 1016 115 115 LEU HD1 H 0.5982 0.0000 2 1017 115 115 LEU C C 174.6154 0.0000 1 1018 115 115 LEU CA C 56.2467 0.0000 1 1019 115 115 LEU CB C 39.1539 0.0000 1 1020 115 115 LEU CG C 27.2280 0.0000 1 1021 115 115 LEU CD1 C 26.9984 0.0000 2 1022 115 115 LEU N N 115.0106 0.0000 1 1023 116 116 ASP H H 8.5368 0.0000 1 1024 116 116 ASP HA H 4.4342 0.0000 1 1025 116 116 ASP HB2 H 2.7064 0.0000 2 1026 116 116 ASP C C 173.0956 0.0000 1 1027 116 116 ASP CA C 55.8381 0.0000 1 1028 116 116 ASP CB C 41.1413 0.0000 1 1029 116 116 ASP N N 116.6312 0.0000 1 1030 117 117 THR H H 7.3011 0.0000 1 1031 117 117 THR HA H 4.2333 0.0000 1 1032 117 117 THR HB H 4.0575 0.0000 1 1033 117 117 THR HG2 H 1.1693 0.0000 1 1034 117 117 THR C C 170.9154 0.0000 1 1035 117 117 THR CA C 62.1966 0.0000 1 1036 117 117 THR CB C 70.8265 0.0000 1 1037 117 117 THR CG2 C 22.3006 0.0000 1 1038 117 117 THR N N 112.8356 0.0000 1 1039 118 118 ARG H H 8.7146 0.0000 1 1040 118 118 ARG HA H 4.5794 0.0000 1 1041 118 118 ARG HB2 H 1.6322 0.0000 2 1042 118 118 ARG HG2 H 0.9294 0.0000 2 1043 118 118 ARG HD2 H 2.8440 0.0000 2 1044 118 118 ARG C C 172.5346 0.0000 1 1045 118 118 ARG CA C 56.0960 0.0000 1 1046 118 118 ARG CB C 30.2838 0.0000 1 1047 118 118 ARG CG C 26.0827 0.0000 1 1048 118 118 ARG CD C 42.0131 0.0000 1 1049 118 118 ARG N N 125.4233 0.0000 1 stop_ save_