data_30478 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of wild type hFABP1 in the presence of GW7647 ; _BMRB_accession_number 30478 _BMRB_flat_file_name bmr30478.str _Entry_type original _Submission_date 2018-06-11 _Accession_date 2018-06-11 _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 Scanlon M. J. . 2 Mohanty B. . . 3 Doak B. C. . 4 Patil R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 772 "13C chemical shifts" 449 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-26 update BMRB 'update entry citation' 2019-01-02 original author 'original release' stop_ _Original_release_date 2018-06-29 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30598509 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Patil Rahul . . 2 Mohanty Biswaranjan . . 3 Liu Bonan . . 4 Chandrashekaran Indu R. . 5 Headey Stephen J. . 6 Williams Martin L. . 7 Clements Craig S. . 8 Ilyichova Olga . . 9 Doak Bradley C. . 10 Genissel Patrick . . 11 Weaver Richard J. . 12 Vuillard Laurent . . 13 Halls Michelle L. . 14 Porter Christopher . . 15 Scanlon Martin J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 294 _Journal_issue 10 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3720 _Page_last 3734 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fatty acid-binding protein, liver' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2VN 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 15225.457 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; HHHHHHVAMSFSGKYQLQSQ ENFEAFMKAIGLPEELIQKG KDIKGVSEIVQNGKHFKFTI TAGSKVIQNEFTVGEECELE TMTGEKVKTVVQLEGDNKLV TTFKNIKSVTELNGDIITNT MTLGDIVFKRISKRI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 HIS 2 -6 HIS 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 VAL 8 0 ALA 9 1 MET 10 2 SER 11 3 PHE 12 4 SER 13 5 GLY 14 6 LYS 15 7 TYR 16 8 GLN 17 9 LEU 18 10 GLN 19 11 SER 20 12 GLN 21 13 GLU 22 14 ASN 23 15 PHE 24 16 GLU 25 17 ALA 26 18 PHE 27 19 MET 28 20 LYS 29 21 ALA 30 22 ILE 31 23 GLY 32 24 LEU 33 25 PRO 34 26 GLU 35 27 GLU 36 28 LEU 37 29 ILE 38 30 GLN 39 31 LYS 40 32 GLY 41 33 LYS 42 34 ASP 43 35 ILE 44 36 LYS 45 37 GLY 46 38 VAL 47 39 SER 48 40 GLU 49 41 ILE 50 42 VAL 51 43 GLN 52 44 ASN 53 45 GLY 54 46 LYS 55 47 HIS 56 48 PHE 57 49 LYS 58 50 PHE 59 51 THR 60 52 ILE 61 53 THR 62 54 ALA 63 55 GLY 64 56 SER 65 57 LYS 66 58 VAL 67 59 ILE 68 60 GLN 69 61 ASN 70 62 GLU 71 63 PHE 72 64 THR 73 65 VAL 74 66 GLY 75 67 GLU 76 68 GLU 77 69 CYS 78 70 GLU 79 71 LEU 80 72 GLU 81 73 THR 82 74 MET 83 75 THR 84 76 GLY 85 77 GLU 86 78 LYS 87 79 VAL 88 80 LYS 89 81 THR 90 82 VAL 91 83 VAL 92 84 GLN 93 85 LEU 94 86 GLU 95 87 GLY 96 88 ASP 97 89 ASN 98 90 LYS 99 91 LEU 100 92 VAL 101 93 THR 102 94 THR 103 95 PHE 104 96 LYS 105 97 ASN 106 98 ILE 107 99 LYS 108 100 SER 109 101 VAL 110 102 THR 111 103 GLU 112 104 LEU 113 105 ASN 114 106 GLY 115 107 ASP 116 108 ILE 117 109 ILE 118 110 THR 119 111 ASN 120 112 THR 121 113 MET 122 114 THR 123 115 LEU 124 116 GLY 125 117 ASP 126 118 ILE 127 119 VAL 128 120 PHE 129 121 LYS 130 122 ARG 131 123 ILE 132 124 SER 133 125 LYS 134 126 ARG 135 127 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_2VN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_2VN (2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid)" _BMRB_code 2VN _PDB_code 2VN _Molecular_mass 502.752 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C26 C26 C . 0 . ? C1 C1 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C2 C2 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C24 C24 C . 0 . ? C25 C25 C . 0 . ? C27 C27 C . 0 . ? C28 C28 C . 0 . ? C29 C29 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C55 C55 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? N2 N2 N . 0 . ? N1 N1 N . 0 . ? O2 O2 O . 0 . ? O1 O1 O . 0 . ? O3 O3 O . 0 . ? S1 S1 S . 0 . ? H2 H2 H . 0 . ? H1 H1 H . 0 . ? H18 H18 H . 0 . ? H17 H17 H . 0 . ? H20 H20 H . 0 . ? H19 H19 H . 0 . ? H22 H22 H . 0 . ? H21 H21 H . 0 . ? H23 H23 H . 0 . ? H24 H24 H . 0 . ? H25 H25 H . 0 . ? H26 H26 H . 0 . ? H27 H27 H . 0 . ? H28 H28 H . 0 . ? H29 H29 H . 0 . ? H31 H31 H . 0 . ? H30 H30 H . 0 . ? H32 H32 H . 0 . ? H33 H33 H . 0 . ? H35 H35 H . 0 . ? H34 H34 H . 0 . ? H3 H3 H . 0 . ? HK6 HK6 H . 0 . ? HL7 HL7 H . 0 . ? HL8 HL8 H . 0 . ? HK9 HK9 H . 0 . ? HJ2 HJ2 H . 0 . ? HJ1 HJ1 H . 0 . ? HJ0 HJ0 H . 0 . ? HJ4 HJ4 H . 0 . ? HJ5 HJ5 H . 0 . ? HJ3 HJ3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H7 H7 H . 0 . ? H6 H6 H . 0 . ? H9 H9 H . 0 . ? H8 H8 H . 0 . ? H11 H11 H . 0 . ? H10 H10 H . 0 . ? H14 H14 H . 0 . ? H13 H13 H . 0 . ? H16 H16 H . 0 . ? H15 H15 H . 0 . ? H12 H12 H . 0 . ? H36 H36 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 SING C10 C9 ? ? SING C10 C11 ? ? SING C14 C15 ? ? SING C14 C13 ? ? SING N1 C2 ? ? SING N1 C7 ? ? SING C9 N2 ? ? DOUB O3 C27 ? ? SING C3 C2 ? ? SING C3 C4 ? ? SING C11 C12 ? ? SING C15 C16 ? ? SING C2 C1 ? ? SING O2 C27 ? ? SING C27 C26 ? ? SING C13 C12 ? ? SING C13 C18 ? ? DOUB C7 O1 ? ? SING C7 N2 ? ? SING C29 C26 ? ? SING C28 C26 ? ? SING N2 C8 ? ? SING C26 S1 ? ? SING C4 C55 ? ? SING C16 C17 ? ? SING C18 C17 ? ? SING C1 C6 ? ? SING C8 C19 ? ? SING C55 C6 ? ? SING S1 C23 ? ? DOUB C22 C23 ? ? SING C22 C21 ? ? SING C23 C24 ? ? DOUB C21 C20 ? ? DOUB C24 C25 ? ? SING C20 C25 ? ? SING C20 C19 ? ? SING C1 H2 ? ? SING C1 H1 ? ? SING C10 H18 ? ? SING C10 H17 ? ? SING C11 H20 ? ? SING C11 H19 ? ? SING C12 H22 ? ? SING C12 H21 ? ? SING C13 H23 ? ? SING C14 H24 ? ? SING C14 H25 ? ? SING C15 H26 ? ? SING C15 H27 ? ? SING C16 H28 ? ? SING C16 H29 ? ? SING C17 H31 ? ? SING C17 H30 ? ? SING C18 H32 ? ? SING C18 H33 ? ? SING C19 H35 ? ? SING C19 H34 ? ? SING C2 H3 ? ? SING C21 HK6 ? ? SING C22 HL7 ? ? SING C24 HL8 ? ? SING C25 HK9 ? ? SING C28 HJ2 ? ? SING C28 HJ1 ? ? SING C28 HJ0 ? ? SING C29 HJ4 ? ? SING C29 HJ5 ? ? SING C29 HJ3 ? ? SING C3 H4 ? ? SING C3 H5 ? ? SING C4 H7 ? ? SING C4 H6 ? ? SING C55 H9 ? ? SING C55 H8 ? ? SING C6 H11 ? ? SING C6 H10 ? ? SING C8 H14 ? ? SING C8 H13 ? ? SING C9 H16 ? ? SING C9 H15 ? ? SING N1 H12 ? ? SING O2 H36 ? ? stop_ _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 Human 9606 Eukaryota Metazoa Homo sapiens 'FABP1, FABPL' 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 . 'pET-45b (+)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.5 mM [U-15N13C] hFABP1 wild type, 0.5 mM unlabelled GW7647, 20 mM sodium phosphate, 50 mM sodium chloride, 1 % D6 DMSO, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM [U-15N13C] GW7647 0.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DMSO 1 % D6 stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-2H,15N13C] hFABP1 wild type, 1 mM unlabelled GW7647, 50 mM sodium chloride, 20 mM sodium phosphate, 1 % D6 DMSO, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM [U-2H,15N13C] GW7647 1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DMSO 1 % D6 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 processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Prime _Version . loop_ _Vendor _Address _Electronic_address 'Prime, Schrodinger, LLC, New York, NY, 2018' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_5 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Koradi et al, 2000' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_15N-resolved_[1H,1H]-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13Cali_resolved_[1H,1H]-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13Cali resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13Caro_resolved_[1H,1H]-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13Caro resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_2D_F1-edited,_F2-13C,15N-filtered_[1H,1H]_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1-edited, F2-13C,15N-filtered [1H,1H] NOESY' _Sample_label $sample_1 save_ save_3D_F1-13C,15N-filtered,_F2-13Cali_edited_[1H,1H]_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1-13C,15N-filtered, F2-13Cali edited [1H,1H] NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_F1,_F2-13C,15N-filtered_[1H,1H]_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1, F2-13C,15N-filtered [1H,1H] NOESY' _Sample_label $sample_2 save_ save_2D_F1-edited,_F2-13C,15N-filtered_[1H,1H]_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1-edited, F2-13C,15N-filtered [1H,1H] NOESY' _Sample_label $sample_2 save_ save_3D_F1-13C,15N-filtered,_F2-15N_edited_[1H,1H]_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1-13C,15N-filtered, F2-15N edited [1H,1H] NOESY' _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' 70 . mM pH 5.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 15N-resolved [1H,1H]-NOESY' '3D 13Cali resolved [1H,1H]-NOESY' '3D 13Caro resolved [1H,1H]-NOESY' '2D F1-edited, F2-13C,15N-filtered [1H,1H] NOESY' '3D F1-13C,15N-filtered, F2-13Cali edited [1H,1H] NOESY' '2D F1, F2-13C,15N-filtered [1H,1H] NOESY' '3D F1-13C,15N-filtered, F2-15N edited [1H,1H] NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -2 6 HIS CA C 55.872 0.000 . 2 -1 7 VAL CA C 61.648 0.000 . 3 -1 7 VAL CB C 33.377 0.000 . 4 0 8 ALA H H 8.394 0.000 . 5 0 8 ALA HA H 4.292 0.000 . 6 0 8 ALA HB H 1.384 0.000 . 7 0 8 ALA CA C 52.3 0.000 . 8 0 8 ALA CB C 19.44 0.000 . 9 0 8 ALA N N 125.628 0.000 . 10 1 9 MET H H 8.346 0.000 . 11 1 9 MET HA H 4.423 0.000 . 12 1 9 MET HB2 H 1.962 0.000 . 13 1 9 MET HB3 H 1.962 0.000 . 14 1 9 MET HG2 H 2.48 0.000 . 15 1 9 MET HG3 H 2.48 0.000 . 16 1 9 MET HE H 1.969 0.000 . 17 1 9 MET CA C 54.99 0.000 . 18 1 9 MET CB C 33.299 0.000 . 19 1 9 MET CG C 32.013 0.000 . 20 1 9 MET CE C 17.24 0.000 . 21 1 9 MET N N 117.695 0.000 . 22 2 10 SER H H 8.096 0.000 . 23 2 10 SER HA H 4.728 0.000 . 24 2 10 SER HB2 H 3.873 0.000 . 25 2 10 SER HB3 H 3.721 0.000 . 26 2 10 SER CA C 57.028 0.000 . 27 2 10 SER CB C 64.209 0.000 . 28 2 10 SER N N 113.698 0.000 . 29 3 11 PHE H H 9.568 0.000 . 30 3 11 PHE HA H 4.284 0.000 . 31 3 11 PHE HB2 H 3.111 0.000 . 32 3 11 PHE HB3 H 3.175 0.000 . 33 3 11 PHE HD1 H 7.391 0.000 . 34 3 11 PHE HD2 H 7.391 0.000 . 35 3 11 PHE HE1 H 7.103 0.000 . 36 3 11 PHE HE2 H 7.103 0.000 . 37 3 11 PHE HZ H 6.929 0.000 . 38 3 11 PHE CA C 59.773 0.000 . 39 3 11 PHE CB C 41.038 0.000 . 40 3 11 PHE CD1 C 131.825 0.000 . 41 3 11 PHE CD2 C 131.82 0.000 . 42 3 11 PHE CE1 C 131.21 0.000 . 43 3 11 PHE CE2 C 131.206 0.000 . 44 3 11 PHE CZ C 129.605 0.000 . 45 3 11 PHE N N 119.284 0.000 . 46 4 12 SER H H 8.349 0.000 . 47 4 12 SER HA H 4.312 0.000 . 48 4 12 SER HB2 H 3.972 0.000 . 49 4 12 SER HB3 H 3.857 0.000 . 50 4 12 SER CA C 59.769 0.000 . 51 4 12 SER CB C 63.768 0.000 . 52 4 12 SER N N 113.771 0.000 . 53 5 13 GLY H H 9.002 0.000 . 54 5 13 GLY HA2 H 3.802 0.000 . 55 5 13 GLY HA3 H 3.882 0.000 . 56 5 13 GLY CA C 45.054 0.000 . 57 5 13 GLY N N 108.574 0.000 . 58 6 14 LYS H H 8.227 0.000 . 59 6 14 LYS HA H 5.102 0.000 . 60 6 14 LYS HB2 H 1.549 0.000 . 61 6 14 LYS HB3 H 1.549 0.000 . 62 6 14 LYS HG2 H 1.19 0.000 . 63 6 14 LYS HG3 H 1.43 0.000 . 64 6 14 LYS HD2 H 1.578 0.000 . 65 6 14 LYS HD3 H 1.578 0.000 . 66 6 14 LYS HE2 H 2.842 0.000 . 67 6 14 LYS HE3 H 2.842 0.000 . 68 6 14 LYS CA C 54.974 0.000 . 69 6 14 LYS CB C 34.811 0.000 . 70 6 14 LYS CG C 25.817 0.000 . 71 6 14 LYS CD C 29.466 0.000 . 72 6 14 LYS CE C 41.919 0.000 . 73 6 14 LYS N N 117.295 0.000 . 74 7 15 TYR H H 9.108 0.000 . 75 7 15 TYR HA H 5.062 0.000 . 76 7 15 TYR HB2 H 2.526 0.000 . 77 7 15 TYR HB3 H 2.526 0.000 . 78 7 15 TYR HD1 H 6.592 0.000 . 79 7 15 TYR HD2 H 6.592 0.000 . 80 7 15 TYR HE1 H 6.412 0.000 . 81 7 15 TYR HE2 H 6.412 0.000 . 82 7 15 TYR CA C 56.478 0.000 . 83 7 15 TYR CB C 42.364 0.000 . 84 7 15 TYR CD1 C 132.959 0.000 . 85 7 15 TYR CD2 C 132.96 0.000 . 86 7 15 TYR CE1 C 117.498 0.000 . 87 7 15 TYR CE2 C 117.397 0.000 . 88 7 15 TYR N N 116.869 0.000 . 89 8 16 GLN H H 9.068 0.000 . 90 8 16 GLN HA H 5.019 0.000 . 91 8 16 GLN HB2 H 1.985 0.000 . 92 8 16 GLN HB3 H 1.985 0.000 . 93 8 16 GLN HG2 H 2.278 0.000 . 94 8 16 GLN HG3 H 2.278 0.000 . 95 8 16 GLN HE21 H 7.43 0.000 . 96 8 16 GLN HE22 H 6.701 0.000 . 97 8 16 GLN CA C 53.736 0.000 . 98 8 16 GLN CB C 32.278 0.000 . 99 8 16 GLN CG C 33.893 0.000 . 100 8 16 GLN N N 119.308 0.000 . 101 8 16 GLN NE2 N 109.075 0.000 . 102 9 17 LEU H H 8.429 0.000 . 103 9 17 LEU HA H 4.596 0.000 . 104 9 17 LEU HB2 H 1.714 0.000 . 105 9 17 LEU HB3 H 1.549 0.000 . 106 9 17 LEU HG H 1.707 0.000 . 107 9 17 LEU HD1 H 0.818 0.000 . 108 9 17 LEU HD2 H 0.838 0.000 . 109 9 17 LEU CA C 56.919 0.000 . 110 9 17 LEU CB C 42.589 0.000 . 111 9 17 LEU CG C 31.116 0.000 . 112 9 17 LEU CD1 C 23.726 0.000 . 113 9 17 LEU CD2 C 26.638 0.000 . 114 9 17 LEU N N 130.159 0.000 . 115 10 18 GLN H H 10.005 0.000 . 116 10 18 GLN HA H 4.488 0.000 . 117 10 18 GLN HB2 H 2.137 0.000 . 118 10 18 GLN HB3 H 1.924 0.000 . 119 10 18 GLN HG2 H 2.395 0.000 . 120 10 18 GLN HG3 H 2.324 0.000 . 121 10 18 GLN HE21 H 7.006 0.000 . 122 10 18 GLN HE22 H 7.085 0.000 . 123 10 18 GLN CA C 56.133 0.000 . 124 10 18 GLN CB C 31.555 0.000 . 125 10 18 GLN CG C 34.59 0.000 . 126 10 18 GLN N N 123.204 0.000 . 127 10 18 GLN NE2 N 110.59 0.000 . 128 11 19 SER H H 8.032 0.000 . 129 11 19 SER HA H 4.613 0.000 . 130 11 19 SER HB2 H 3.805 0.000 . 131 11 19 SER HB3 H 3.805 0.000 . 132 11 19 SER CA C 57.539 0.000 . 133 11 19 SER CB C 64.802 0.000 . 134 11 19 SER N N 107.925 0.000 . 135 12 20 GLN H H 8.44 0.000 . 136 12 20 GLN HA H 5.398 0.000 . 137 12 20 GLN HB2 H 2.192 0.000 . 138 12 20 GLN HB3 H 2.192 0.000 . 139 12 20 GLN HG2 H 2.426 0.000 . 140 12 20 GLN HG3 H 2.31 0.000 . 141 12 20 GLN HE21 H 5.631 0.000 . 142 12 20 GLN HE22 H 6.966 0.000 . 143 12 20 GLN CA C 54.455 0.000 . 144 12 20 GLN CB C 33.253 0.000 . 145 12 20 GLN CG C 34.742 0.000 . 146 12 20 GLN N N 115.016 0.000 . 147 12 20 GLN NE2 N 105.229 0.000 . 148 13 21 GLU H H 9.25 0.000 . 149 13 21 GLU HA H 4.778 0.000 . 150 13 21 GLU HB2 H 2.086 0.000 . 151 13 21 GLU HB3 H 1.88 0.000 . 152 13 21 GLU HG2 H 2.218 0.000 . 153 13 21 GLU HG3 H 2.218 0.000 . 154 13 21 GLU CA C 55.142 0.000 . 155 13 21 GLU CB C 33.319 0.000 . 156 13 21 GLU CG C 35.864 0.000 . 157 13 21 GLU N N 119.919 0.000 . 158 14 22 ASN H H 9.263 0.000 . 159 14 22 ASN HA H 4.775 0.000 . 160 14 22 ASN HB2 H 3.268 0.000 . 161 14 22 ASN HB3 H 3.451 0.000 . 162 14 22 ASN HD21 H 7.92 0.000 . 163 14 22 ASN HD22 H 7.071 0.000 . 164 14 22 ASN CA C 54.11 0.000 . 165 14 22 ASN CB C 36.872 0.000 . 166 14 22 ASN N N 115.422 0.000 . 167 14 22 ASN ND2 N 111.595 0.000 . 168 15 23 PHE H H 8.323 0.000 . 169 15 23 PHE HA H 3.457 0.000 . 170 15 23 PHE HB2 H 2.922 0.000 . 171 15 23 PHE HB3 H 2.922 0.000 . 172 15 23 PHE HD1 H 6.854 0.000 . 173 15 23 PHE HD2 H 6.854 0.000 . 174 15 23 PHE HE1 H 7.323 0.000 . 175 15 23 PHE HE2 H 7.323 0.000 . 176 15 23 PHE HZ H 7.083 0.000 . 177 15 23 PHE CA C 61.764 0.000 . 178 15 23 PHE CB C 40.047 0.000 . 179 15 23 PHE CD1 C 131.546 0.000 . 180 15 23 PHE CD2 C 131.55 0.000 . 181 15 23 PHE CE1 C 131.446 0.000 . 182 15 23 PHE CE2 C 131.45 0.000 . 183 15 23 PHE CZ C 128.873 0.000 . 184 15 23 PHE N N 115.658 0.000 . 185 16 24 GLU H H 9.294 0.000 . 186 16 24 GLU HA H 3.428 0.000 . 187 16 24 GLU HB2 H 1.979 0.000 . 188 16 24 GLU HB3 H 2.059 0.000 . 189 16 24 GLU HG2 H 2.331 0.000 . 190 16 24 GLU HG3 H 2.216 0.000 . 191 16 24 GLU CA C 60.997 0.000 . 192 16 24 GLU CB C 28.69 0.000 . 193 16 24 GLU CG C 37.646 0.000 . 194 16 24 GLU N N 115.757 0.000 . 195 17 25 ALA H H 8.245 0.000 . 196 17 25 ALA HA H 3.918 0.000 . 197 17 25 ALA HB H 1.355 0.000 . 198 17 25 ALA CA C 54.678 0.000 . 199 17 25 ALA CB C 18.394 0.000 . 200 17 25 ALA N N 117.054 0.000 . 201 18 26 PHE H H 7.787 0.000 . 202 18 26 PHE HA H 3.854 0.000 . 203 18 26 PHE HB2 H 2.923 0.000 . 204 18 26 PHE HB3 H 2.702 0.000 . 205 18 26 PHE HD1 H 6.804 0.000 . 206 18 26 PHE HD2 H 6.804 0.000 . 207 18 26 PHE HE1 H 7.016 0.000 . 208 18 26 PHE HE2 H 7.016 0.000 . 209 18 26 PHE CA C 61.777 0.000 . 210 18 26 PHE CB C 40.231 0.000 . 211 18 26 PHE CD1 C 132.244 0.000 . 212 18 26 PHE CD2 C 132.27 0.000 . 213 18 26 PHE CE1 C 130.54 0.000 . 214 18 26 PHE CE2 C 130.538 0.000 . 215 18 26 PHE N N 115.906 0.000 . 216 19 27 MET H H 8.104 0.000 . 217 19 27 MET HA H 4.026 0.000 . 218 19 27 MET HB2 H 1.574 0.000 . 219 19 27 MET HB3 H 1.424 0.000 . 220 19 27 MET HG2 H 1.509 0.000 . 221 19 27 MET HG3 H 1.803 0.000 . 222 19 27 MET HE H 1.56 0.000 . 223 19 27 MET CA C 56.134 0.000 . 224 19 27 MET CB C 31.425 0.000 . 225 19 27 MET CG C 32.542 0.000 . 226 19 27 MET CE C 18.907 0.000 . 227 19 27 MET N N 111.937 0.000 . 228 20 28 LYS H H 8.184 0.000 . 229 20 28 LYS HA H 3.944 0.000 . 230 20 28 LYS HB2 H 1.732 0.000 . 231 20 28 LYS HB3 H 1.732 0.000 . 232 20 28 LYS HG2 H 1.308 0.000 . 233 20 28 LYS HG3 H 1.468 0.000 . 234 20 28 LYS HD2 H 1.582 0.000 . 235 20 28 LYS HD3 H 1.582 0.000 . 236 20 28 LYS HE2 H 2.875 0.000 . 237 20 28 LYS HE3 H 2.875 0.000 . 238 20 28 LYS CA C 58.878 0.000 . 239 20 28 LYS CB C 32.297 0.000 . 240 20 28 LYS CG C 25.636 0.000 . 241 20 28 LYS CD C 29.254 0.000 . 242 20 28 LYS CE C 42.098 0.000 . 243 20 28 LYS N N 116.591 0.000 . 244 21 29 ALA H H 7.475 0.000 . 245 21 29 ALA HA H 3.983 0.000 . 246 21 29 ALA HB H 1.303 0.000 . 247 21 29 ALA CA C 54.642 0.000 . 248 21 29 ALA CB C 18.198 0.000 . 249 21 29 ALA N N 120.317 0.000 . 250 22 30 ILE H H 7.268 0.000 . 251 22 30 ILE HA H 4.059 0.000 . 252 22 30 ILE HB H 1.875 0.000 . 253 22 30 ILE HG12 H 1.092 0.000 . 254 22 30 ILE HG13 H 1.183 0.000 . 255 22 30 ILE HG2 H 0.519 0.000 . 256 22 30 ILE HD1 H 0.636 0.000 . 257 22 30 ILE CA C 60.714 0.000 . 258 22 30 ILE CB C 37.808 0.000 . 259 22 30 ILE CG1 C 27.216 0.000 . 260 22 30 ILE CG2 C 18.375 0.000 . 261 22 30 ILE CD1 C 14.498 0.000 . 262 22 30 ILE N N 108.816 0.000 . 263 23 31 GLY H H 7.473 0.000 . 264 23 31 GLY HA2 H 3.638 0.000 . 265 23 31 GLY HA3 H 4.045 0.000 . 266 23 31 GLY CA C 45.65 0.000 . 267 23 31 GLY N N 106.056 0.000 . 268 24 32 LEU H H 7.628 0.000 . 269 24 32 LEU HA H 4.406 0.000 . 270 24 32 LEU HB2 H 1.337 0.000 . 271 24 32 LEU HB3 H 1.209 0.000 . 272 24 32 LEU HG H 1.616 0.000 . 273 24 32 LEU HD1 H 0.836 0.000 . 274 24 32 LEU HD2 H 0.752 0.000 . 275 24 32 LEU CA C 53.248 0.000 . 276 24 32 LEU CB C 42.187 0.000 . 277 24 32 LEU CG C 27.178 0.000 . 278 24 32 LEU CD1 C 25.507 0.000 . 279 24 32 LEU CD2 C 24.002 0.000 . 280 24 32 LEU N N 120.976 0.000 . 281 25 33 PRO HA H 4.379 0.000 . 282 25 33 PRO HB2 H 2.428 0.000 . 283 25 33 PRO HB3 H 1.898 0.000 . 284 25 33 PRO HG2 H 2.073 0.000 . 285 25 33 PRO HG3 H 2.045 0.000 . 286 25 33 PRO HD2 H 3.474 0.000 . 287 25 33 PRO HD3 H 3.959 0.000 . 288 25 33 PRO CA C 62.607 0.000 . 289 25 33 PRO CB C 32.744 0.000 . 290 25 33 PRO CG C 27.832 0.000 . 291 25 33 PRO CD C 50.599 0.000 . 292 26 34 GLU H H 8.706 0.000 . 293 26 34 GLU HA H 3.809 0.000 . 294 26 34 GLU HB2 H 1.971 0.000 . 295 26 34 GLU HB3 H 2.05 0.000 . 296 26 34 GLU HG2 H 2.279 0.000 . 297 26 34 GLU HG3 H 2.279 0.000 . 298 26 34 GLU CA C 59.799 0.000 . 299 26 34 GLU CB C 29.582 0.000 . 300 26 34 GLU CG C 35.921 0.000 . 301 26 34 GLU N N 121.108 0.000 . 302 27 35 GLU H H 9.215 0.000 . 303 27 35 GLU HA H 4.071 0.000 . 304 27 35 GLU HB2 H 2.028 0.000 . 305 27 35 GLU HB3 H 1.929 0.000 . 306 27 35 GLU HG2 H 2.224 0.000 . 307 27 35 GLU HG3 H 2.273 0.000 . 308 27 35 GLU CA C 59.345 0.000 . 309 27 35 GLU CB C 29.084 0.000 . 310 27 35 GLU CG C 36.067 0.000 . 311 27 35 GLU N N 114.694 0.000 . 312 28 36 LEU H H 7.186 0.000 . 313 28 36 LEU HA H 4.211 0.000 . 314 28 36 LEU HB2 H 1.763 0.000 . 315 28 36 LEU HB3 H 1.553 0.000 . 316 28 36 LEU HG H 1.663 0.000 . 317 28 36 LEU HD1 H 0.856 0.000 . 318 28 36 LEU HD2 H 0.932 0.000 . 319 28 36 LEU CA C 56.58 0.000 . 320 28 36 LEU CB C 41.849 0.000 . 321 28 36 LEU CG C 27.588 0.000 . 322 28 36 LEU CD1 C 23.444 0.000 . 323 28 36 LEU CD2 C 25.098 0.000 . 324 28 36 LEU N N 115.131 0.000 . 325 29 37 ILE H H 7.703 0.000 . 326 29 37 ILE HA H 3.595 0.000 . 327 29 37 ILE HB H 2.001 0.000 . 328 29 37 ILE HG12 H 0.656 0.000 . 329 29 37 ILE HG13 H 0.455 0.000 . 330 29 37 ILE HG2 H 0.858 0.000 . 331 29 37 ILE HD1 H 0.656 0.000 . 332 29 37 ILE CA C 65.332 0.000 . 333 29 37 ILE CB C 37.864 0.000 . 334 29 37 ILE CG1 C 29.313 0.000 . 335 29 37 ILE CG2 C 17.818 0.000 . 336 29 37 ILE CD1 C 13.329 0.000 . 337 29 37 ILE N N 119.357 0.000 . 338 30 38 GLN H H 8.151 0.000 . 339 30 38 GLN HA H 3.932 0.000 . 340 30 38 GLN HB2 H 2.055 0.000 . 341 30 38 GLN HB3 H 2.111 0.000 . 342 30 38 GLN HG2 H 2.439 0.000 . 343 30 38 GLN HG3 H 2.439 0.000 . 344 30 38 GLN HE21 H 6.838 0.000 . 345 30 38 GLN HE22 H 7.543 0.000 . 346 30 38 GLN CA C 58.123 0.000 . 347 30 38 GLN CB C 28.249 0.000 . 348 30 38 GLN CG C 33.526 0.000 . 349 30 38 GLN N N 114.353 0.000 . 350 30 38 GLN NE2 N 110.029 0.000 . 351 31 39 LYS H H 7.52 0.000 . 352 31 39 LYS HA H 4.179 0.000 . 353 31 39 LYS HB2 H 1.855 0.000 . 354 31 39 LYS HB3 H 1.855 0.000 . 355 31 39 LYS HG2 H 1.491 0.000 . 356 31 39 LYS HG3 H 1.623 0.000 . 357 31 39 LYS HD2 H 1.633 0.000 . 358 31 39 LYS HD3 H 1.633 0.000 . 359 31 39 LYS HE2 H 2.949 0.000 . 360 31 39 LYS HE3 H 2.949 0.000 . 361 31 39 LYS CA C 57.876 0.000 . 362 31 39 LYS CB C 33.029 0.000 . 363 31 39 LYS CG C 25.441 0.000 . 364 31 39 LYS CD C 29.163 0.000 . 365 31 39 LYS CE C 42.237 0.000 . 366 31 39 LYS N N 114.114 0.000 . 367 32 40 GLY H H 7.904 0.000 . 368 32 40 GLY HA2 H 3.704 0.000 . 369 32 40 GLY HA3 H 4.066 0.000 . 370 32 40 GLY CA C 46.036 0.000 . 371 32 40 GLY N N 103.309 0.000 . 372 33 41 LYS H H 7.447 0.000 . 373 33 41 LYS HA H 3.338 0.000 . 374 33 41 LYS HB2 H 1.754 0.000 . 375 33 41 LYS HB3 H 1.754 0.000 . 376 33 41 LYS HG2 H 1.417 0.000 . 377 33 41 LYS HG3 H 1.351 0.000 . 378 33 41 LYS HD2 H 1.624 0.000 . 379 33 41 LYS HD3 H 1.624 0.000 . 380 33 41 LYS HE2 H 2.982 0.000 . 381 33 41 LYS HE3 H 2.982 0.000 . 382 33 41 LYS CA C 57.912 0.000 . 383 33 41 LYS CB C 32.438 0.000 . 384 33 41 LYS CG C 24.163 0.000 . 385 33 41 LYS CD C 29.923 0.000 . 386 33 41 LYS CE C 42.23 0.000 . 387 33 41 LYS N N 116.249 0.000 . 388 34 42 ASP H H 7.672 0.000 . 389 34 42 ASP HA H 4.65 0.000 . 390 34 42 ASP HB2 H 2.713 0.000 . 391 34 42 ASP HB3 H 2.481 0.000 . 392 34 42 ASP CA C 54.045 0.000 . 393 34 42 ASP CB C 41.491 0.000 . 394 34 42 ASP N N 115.704 0.000 . 395 35 43 ILE H H 7.394 0.000 . 396 35 43 ILE HA H 3.98 0.000 . 397 35 43 ILE HB H 1.858 0.000 . 398 35 43 ILE HG12 H 1.199 0.000 . 399 35 43 ILE HG13 H 1.478 0.000 . 400 35 43 ILE HG2 H 0.777 0.000 . 401 35 43 ILE HD1 H 0.789 0.000 . 402 35 43 ILE CA C 60.796 0.000 . 403 35 43 ILE CB C 37.596 0.000 . 404 35 43 ILE CG1 C 27.236 0.000 . 405 35 43 ILE CG2 C 17.558 0.000 . 406 35 43 ILE CD1 C 12.586 0.000 . 407 35 43 ILE N N 117.65 0.000 . 408 36 44 LYS H H 8.254 0.000 . 409 36 44 LYS HA H 4.503 0.000 . 410 36 44 LYS HB2 H 1.845 0.000 . 411 36 44 LYS HB3 H 1.783 0.000 . 412 36 44 LYS HG2 H 1.345 0.000 . 413 36 44 LYS HG3 H 1.272 0.000 . 414 36 44 LYS HD2 H 1.648 0.000 . 415 36 44 LYS HD3 H 1.648 0.000 . 416 36 44 LYS CA C 55.474 0.000 . 417 36 44 LYS CB C 33.036 0.000 . 418 36 44 LYS CG C 24.535 0.000 . 419 36 44 LYS CD C 29.048 0.000 . 420 36 44 LYS N N 124.158 0.000 . 421 37 45 GLY H H 8.017 0.000 . 422 37 45 GLY HA2 H 4.081 0.000 . 423 37 45 GLY HA3 H 4.261 0.000 . 424 37 45 GLY CA C 45.481 0.000 . 425 37 45 GLY N N 107.972 0.000 . 426 38 46 VAL H H 7.924 0.000 . 427 38 46 VAL HA H 5.029 0.000 . 428 38 46 VAL HB H 2.011 0.000 . 429 38 46 VAL HG1 H 0.93 0.000 . 430 38 46 VAL HG2 H 0.93 0.000 . 431 38 46 VAL CA C 60.806 0.000 . 432 38 46 VAL CB C 35.083 0.000 . 433 38 46 VAL CG1 C 21.146 0.000 . 434 38 46 VAL CG2 C 21.144 0.000 . 435 38 46 VAL N N 116.834 0.000 . 436 39 47 SER H H 9.088 0.000 . 437 39 47 SER HA H 5.518 0.000 . 438 39 47 SER HB2 H 4.097 0.000 . 439 39 47 SER HB3 H 3.959 0.000 . 440 39 47 SER CA C 56.777 0.000 . 441 39 47 SER CB C 66.689 0.000 . 442 39 47 SER N N 120.879 0.000 . 443 40 48 GLU H H 9.375 0.000 . 444 40 48 GLU HA H 5.376 0.000 . 445 40 48 GLU HB2 H 2.013 0.000 . 446 40 48 GLU HB3 H 1.877 0.000 . 447 40 48 GLU HG2 H 1.969 0.000 . 448 40 48 GLU HG3 H 2.176 0.000 . 449 40 48 GLU CA C 54.78 0.000 . 450 40 48 GLU CB C 33.385 0.000 . 451 40 48 GLU CG C 36.883 0.000 . 452 40 48 GLU N N 120.786 0.000 . 453 41 49 ILE H H 9.307 0.000 . 454 41 49 ILE HA H 4.718 0.000 . 455 41 49 ILE HB H 1.934 0.000 . 456 41 49 ILE HG12 H 1.327 0.000 . 457 41 49 ILE HG13 H -0.123 0.000 . 458 41 49 ILE HG2 H 0.259 0.000 . 459 41 49 ILE HD1 H 0.62 0.000 . 460 41 49 ILE CA C 59.873 0.000 . 461 41 49 ILE CB C 39.954 0.000 . 462 41 49 ILE CG1 C 25.536 0.000 . 463 41 49 ILE CG2 C 17.205 0.000 . 464 41 49 ILE CD1 C 15.135 0.000 . 465 41 49 ILE N N 122.38 0.000 . 466 42 50 VAL H H 9.047 0.000 . 467 42 50 VAL HA H 4.112 0.000 . 468 42 50 VAL HB H 1.88 0.000 . 469 42 50 VAL HG1 H 0.774 0.000 . 470 42 50 VAL HG2 H 0.865 0.000 . 471 42 50 VAL CA C 62.241 0.000 . 472 42 50 VAL CB C 34.264 0.000 . 473 42 50 VAL CG1 C 21.071 0.000 . 474 42 50 VAL CG2 C 20.55 0.000 . 475 42 50 VAL N N 125.628 0.000 . 476 43 51 GLN H H 8.629 0.000 . 477 43 51 GLN HA H 4.347 0.000 . 478 43 51 GLN HB2 H 1.872 0.000 . 479 43 51 GLN HB3 H 1.136 0.000 . 480 43 51 GLN HG2 H 1.81 0.000 . 481 43 51 GLN HG3 H 0.826 0.000 . 482 43 51 GLN HE21 H 7.293 0.000 . 483 43 51 GLN HE22 H 7.004 0.000 . 484 43 51 GLN CA C 53.562 0.000 . 485 43 51 GLN CB C 30.1 0.000 . 486 43 51 GLN CG C 32.232 0.000 . 487 43 51 GLN N N 128.479 0.000 . 488 43 51 GLN NE2 N 104.136 0.000 . 489 44 52 ASN H H 8.841 0.000 . 490 44 52 ASN HA H 4.761 0.000 . 491 44 52 ASN HB2 H 2.479 0.000 . 492 44 52 ASN HB3 H 2.713 0.000 . 493 44 52 ASN HD21 H 6.688 0.000 . 494 44 52 ASN HD22 H 7.492 0.000 . 495 44 52 ASN CA C 52.001 0.000 . 496 44 52 ASN CB C 39.732 0.000 . 497 44 52 ASN N N 124.193 0.000 . 498 44 52 ASN ND2 N 109.498 0.000 . 499 45 53 GLY H H 9.071 0.000 . 500 45 53 GLY HA2 H 3.978 0.000 . 501 45 53 GLY HA3 H 3.595 0.000 . 502 45 53 GLY CA C 47.574 0.000 . 503 45 53 GLY N N 113.396 0.000 . 504 46 54 LYS H H 8.704 0.000 . 505 46 54 LYS HA H 4.318 0.000 . 506 46 54 LYS HB2 H 2.25 0.000 . 507 46 54 LYS HB3 H 1.772 0.000 . 508 46 54 LYS HG2 H 1.62 0.000 . 509 46 54 LYS HG3 H 1.381 0.000 . 510 46 54 LYS HD2 H 1.713 0.000 . 511 46 54 LYS HD3 H 1.713 0.000 . 512 46 54 LYS HE2 H 3.005 0.000 . 513 46 54 LYS HE3 H 3.005 0.000 . 514 46 54 LYS CA C 56.348 0.000 . 515 46 54 LYS CB C 33.479 0.000 . 516 46 54 LYS CG C 25.807 0.000 . 517 46 54 LYS CD C 29.3 0.000 . 518 46 54 LYS CE C 42.168 0.000 . 519 46 54 LYS N N 123.29 0.000 . 520 47 55 HIS H H 8.081 0.000 . 521 47 55 HIS HA H 5.144 0.000 . 522 47 55 HIS HB2 H 3.303 0.000 . 523 47 55 HIS HB3 H 3.112 0.000 . 524 47 55 HIS HD2 H 7.181 0.000 . 525 47 55 HIS HE1 H 8.436 0.000 . 526 47 55 HIS CA C 55.155 0.000 . 527 47 55 HIS CB C 30.367 0.000 . 528 47 55 HIS CD2 C 120.2 0.000 . 529 47 55 HIS CE1 C 136.5 0.000 . 530 47 55 HIS N N 117.074 0.000 . 531 48 56 PHE H H 8.679 0.000 . 532 48 56 PHE HA H 4.812 0.000 . 533 48 56 PHE HB2 H 1.391 0.000 . 534 48 56 PHE HB3 H 2.158 0.000 . 535 48 56 PHE HD1 H 7.139 0.000 . 536 48 56 PHE HD2 H 7.139 0.000 . 537 48 56 PHE HE1 H 6.68 0.000 . 538 48 56 PHE HE2 H 6.68 0.000 . 539 48 56 PHE HZ H 6.71 0.000 . 540 48 56 PHE CA C 56.694 0.000 . 541 48 56 PHE CB C 44.275 0.000 . 542 48 56 PHE CD1 C 132.087 0.000 . 543 48 56 PHE CD2 C 132.09 0.000 . 544 48 56 PHE CE1 C 130.971 0.000 . 545 48 56 PHE CE2 C 130.97 0.000 . 546 48 56 PHE CZ C 128.946 0.000 . 547 48 56 PHE N N 122.011 0.000 . 548 49 57 LYS H H 8.388 0.000 . 549 49 57 LYS HA H 5.012 0.000 . 550 49 57 LYS HB2 H 1.782 0.000 . 551 49 57 LYS HB3 H 1.546 0.000 . 552 49 57 LYS HG2 H 1.287 0.000 . 553 49 57 LYS HG3 H 1.287 0.000 . 554 49 57 LYS CA C 55.383 0.000 . 555 49 57 LYS CB C 35.968 0.000 . 556 49 57 LYS CG C 25.168 0.000 . 557 49 57 LYS N N 116.458 0.000 . 558 50 58 PHE H H 9.44 0.000 . 559 50 58 PHE HA H 5.28 0.000 . 560 50 58 PHE HB2 H 2.929 0.000 . 561 50 58 PHE HB3 H 2.666 0.000 . 562 50 58 PHE HD1 H 7.046 0.000 . 563 50 58 PHE HD2 H 7.046 0.000 . 564 50 58 PHE CA C 56.692 0.000 . 565 50 58 PHE CB C 43.859 0.000 . 566 50 58 PHE CD1 C 131.02 0.000 . 567 50 58 PHE CD2 C 131.02 0.000 . 568 50 58 PHE N N 123.885 0.000 . 569 51 59 THR H H 9.444 0.000 . 570 51 59 THR HA H 5.034 0.000 . 571 51 59 THR HB H 4.054 0.000 . 572 51 59 THR HG2 H 1.123 0.000 . 573 51 59 THR CA C 62.43 0.000 . 574 51 59 THR CB C 69.969 0.000 . 575 51 59 THR CG2 C 21.93 0.000 . 576 51 59 THR N N 119.252 0.000 . 577 52 60 ILE H H 9.098 0.000 . 578 52 60 ILE HA H 4.718 0.000 . 579 52 60 ILE HB H 1.666 0.000 . 580 52 60 ILE HG12 H 1.302 0.000 . 581 52 60 ILE HG13 H 1.45 0.000 . 582 52 60 ILE HG2 H 0.905 0.000 . 583 52 60 ILE HD1 H 0.363 0.000 . 584 52 60 ILE CA C 60.202 0.000 . 585 52 60 ILE CB C 42.39 0.000 . 586 52 60 ILE CG1 C 26.869 0.000 . 587 52 60 ILE CG2 C 17.031 0.000 . 588 52 60 ILE CD1 C 15.14 0.000 . 589 52 60 ILE N N 124.494 0.000 . 590 53 61 THR H H 8.673 0.000 . 591 53 61 THR HA H 4.818 0.000 . 592 53 61 THR HB H 4.129 0.000 . 593 53 61 THR HG2 H 1.171 0.000 . 594 53 61 THR CA C 62.154 0.000 . 595 53 61 THR CB C 69.325 0.000 . 596 53 61 THR CG2 C 21.548 0.000 . 597 53 61 THR N N 119.329 0.000 . 598 54 62 ALA H H 8.714 0.000 . 599 54 62 ALA HA H 4.607 0.000 . 600 54 62 ALA HB H 1.269 0.000 . 601 54 62 ALA CA C 50.334 0.000 . 602 54 62 ALA CB C 19.707 0.000 . 603 54 62 ALA N N 127.989 0.000 . 604 55 63 GLY H H 8.771 0.000 . 605 55 63 GLY HA2 H 4.046 0.000 . 606 55 63 GLY HA3 H 3.629 0.000 . 607 55 63 GLY CA C 47.159 0.000 . 608 55 63 GLY N N 111.274 0.000 . 609 56 64 SER H H 8.676 0.000 . 610 56 64 SER HA H 4.359 0.000 . 611 56 64 SER HB2 H 3.859 0.000 . 612 56 64 SER HB3 H 3.992 0.000 . 613 56 64 SER CA C 58.597 0.000 . 614 56 64 SER CB C 63.399 0.000 . 615 56 64 SER N N 118.016 0.000 . 616 57 65 LYS H H 7.734 0.000 . 617 57 65 LYS HA H 4.518 0.000 . 618 57 65 LYS HB2 H 1.804 0.000 . 619 57 65 LYS HB3 H 1.879 0.000 . 620 57 65 LYS HG2 H 1.347 0.000 . 621 57 65 LYS HG3 H 1.347 0.000 . 622 57 65 LYS HD2 H 1.647 0.000 . 623 57 65 LYS HD3 H 1.647 0.000 . 624 57 65 LYS HE2 H 2.891 0.000 . 625 57 65 LYS HE3 H 2.891 0.000 . 626 57 65 LYS CA C 55.231 0.000 . 627 57 65 LYS CB C 34.482 0.000 . 628 57 65 LYS CG C 24.476 0.000 . 629 57 65 LYS CD C 29.233 0.000 . 630 57 65 LYS CE C 42.11 0.000 . 631 57 65 LYS N N 119.866 0.000 . 632 58 66 VAL H H 8.252 0.000 . 633 58 66 VAL HA H 4.699 0.000 . 634 58 66 VAL HB H 1.859 0.000 . 635 58 66 VAL HG1 H 0.762 0.000 . 636 58 66 VAL HG2 H 0.887 0.000 . 637 58 66 VAL CA C 61.419 0.000 . 638 58 66 VAL CB C 33.215 0.000 . 639 58 66 VAL CG1 C 21.338 0.000 . 640 58 66 VAL CG2 C 21.23 0.000 . 641 58 66 VAL N N 121.18 0.000 . 642 59 67 ILE H H 9.138 0.000 . 643 59 67 ILE HA H 4.296 0.000 . 644 59 67 ILE HB H 1.575 0.000 . 645 59 67 ILE HG12 H 0.936 0.000 . 646 59 67 ILE HG13 H 1.369 0.000 . 647 59 67 ILE HG2 H 0.605 0.000 . 648 59 67 ILE HD1 H 0.636 0.000 . 649 59 67 ILE CA C 60.178 0.000 . 650 59 67 ILE CB C 40.67 0.000 . 651 59 67 ILE CG1 C 27.35 0.000 . 652 59 67 ILE CG2 C 17.98 0.000 . 653 59 67 ILE CD1 C 14.557 0.000 . 654 59 67 ILE N N 124.709 0.000 . 655 60 68 GLN H H 8.919 0.000 . 656 60 68 GLN HA H 5.408 0.000 . 657 60 68 GLN HB2 H 1.91 0.000 . 658 60 68 GLN HB3 H 2.014 0.000 . 659 60 68 GLN HG2 H 2.271 0.000 . 660 60 68 GLN HG3 H 2.271 0.000 . 661 60 68 GLN HE21 H 7.502 0.000 . 662 60 68 GLN HE22 H 6.757 0.000 . 663 60 68 GLN CA C 54.33 0.000 . 664 60 68 GLN CB C 31.677 0.000 . 665 60 68 GLN CG C 34.274 0.000 . 666 60 68 GLN N N 125.427 0.000 . 667 60 68 GLN NE2 N 109.254 0.000 . 668 61 69 ASN H H 8.834 0.000 . 669 61 69 ASN HA H 5.341 0.000 . 670 61 69 ASN HB2 H 2.289 0.000 . 671 61 69 ASN HB3 H 2.438 0.000 . 672 61 69 ASN HD21 H 6.479 0.000 . 673 61 69 ASN HD22 H 8.374 0.000 . 674 61 69 ASN CA C 52.669 0.000 . 675 61 69 ASN CB C 45.57 0.000 . 676 61 69 ASN N N 118.036 0.000 . 677 61 69 ASN ND2 N 112.109 0.000 . 678 62 70 GLU H H 8.938 0.000 . 679 62 70 GLU HA H 5.4 0.000 . 680 62 70 GLU HB2 H 2.04 0.000 . 681 62 70 GLU HB3 H 2.04 0.000 . 682 62 70 GLU HG2 H 2.261 0.000 . 683 62 70 GLU HG3 H 2.29 0.000 . 684 62 70 GLU CA C 54.718 0.000 . 685 62 70 GLU CB C 33.537 0.000 . 686 62 70 GLU CG C 36.187 0.000 . 687 62 70 GLU N N 118.688 0.000 . 688 63 71 PHE H H 8.174 0.000 . 689 63 71 PHE HA H 5.01 0.000 . 690 63 71 PHE HB2 H 3.076 0.000 . 691 63 71 PHE HB3 H 3.272 0.000 . 692 63 71 PHE HD1 H 6.529 0.000 . 693 63 71 PHE HD2 H 6.529 0.000 . 694 63 71 PHE HE1 H 6.527 0.000 . 695 63 71 PHE HE2 H 6.527 0.000 . 696 63 71 PHE HZ H 6.408 0.000 . 697 63 71 PHE CA C 56.428 0.000 . 698 63 71 PHE CB C 41.529 0.000 . 699 63 71 PHE CD1 C 131.956 0.000 . 700 63 71 PHE CD2 C 131.96 0.000 . 701 63 71 PHE CE1 C 129.89 0.000 . 702 63 71 PHE CE2 C 129.86 0.000 . 703 63 71 PHE CZ C 128.802 0.000 . 704 63 71 PHE N N 113.606 0.000 . 705 64 72 THR H H 9.152 0.000 . 706 64 72 THR HA H 5.258 0.000 . 707 64 72 THR HB H 3.974 0.000 . 708 64 72 THR HG2 H 1.294 0.000 . 709 64 72 THR CA C 60.923 0.000 . 710 64 72 THR CB C 70.514 0.000 . 711 64 72 THR CG2 C 22.064 0.000 . 712 64 72 THR N N 115.866 0.000 . 713 65 73 VAL H H 9.038 0.000 . 714 65 73 VAL HA H 4.161 0.000 . 715 65 73 VAL HB H 2.33 0.000 . 716 65 73 VAL HG1 H 1.308 0.000 . 717 65 73 VAL HG2 H 1.113 0.000 . 718 65 73 VAL CA C 64.181 0.000 . 719 65 73 VAL CB C 32.094 0.000 . 720 65 73 VAL CG1 C 21.112 0.000 . 721 65 73 VAL CG2 C 23.154 0.000 . 722 65 73 VAL N N 122.978 0.000 . 723 66 74 GLY H H 8.85 0.000 . 724 66 74 GLY HA2 H 4.326 0.000 . 725 66 74 GLY HA3 H 3.484 0.000 . 726 66 74 GLY CA C 45.518 0.000 . 727 66 74 GLY N N 107.413 0.000 . 728 67 75 GLU H H 7.709 0.000 . 729 67 75 GLU HA H 4.727 0.000 . 730 67 75 GLU HB2 H 1.987 0.000 . 731 67 75 GLU HB3 H 2.143 0.000 . 732 67 75 GLU HG2 H 2.212 0.000 . 733 67 75 GLU HG3 H 2.212 0.000 . 734 67 75 GLU CA C 54.073 0.000 . 735 67 75 GLU CB C 31.779 0.000 . 736 67 75 GLU CG C 35.827 0.000 . 737 67 75 GLU N N 116.605 0.000 . 738 68 76 GLU H H 8.915 0.000 . 739 68 76 GLU HA H 4.327 0.000 . 740 68 76 GLU HB2 H 1.936 0.000 . 741 68 76 GLU HB3 H 1.936 0.000 . 742 68 76 GLU HG2 H 2.108 0.000 . 743 68 76 GLU HG3 H 2.171 0.000 . 744 68 76 GLU CA C 57.754 0.000 . 745 68 76 GLU CB C 29.892 0.000 . 746 68 76 GLU CG C 36.954 0.000 . 747 68 76 GLU N N 123.346 0.000 . 748 69 77 CYS H H 9.119 0.000 . 749 69 77 CYS HA H 5.107 0.000 . 750 69 77 CYS HB2 H 2.985 0.000 . 751 69 77 CYS HB3 H 3.366 0.000 . 752 69 77 CYS CA C 55.149 0.000 . 753 69 77 CYS CB C 31.867 0.000 . 754 69 77 CYS N N 118.731 0.000 . 755 70 78 GLU H H 8.345 0.000 . 756 70 78 GLU HA H 4.982 0.000 . 757 70 78 GLU HB2 H 1.774 0.000 . 758 70 78 GLU HB3 H 1.942 0.000 . 759 70 78 GLU HG2 H 1.887 0.000 . 760 70 78 GLU HG3 H 1.991 0.000 . 761 70 78 GLU CA C 54.844 0.000 . 762 70 78 GLU CB C 31.755 0.000 . 763 70 78 GLU CG C 37.79 0.000 . 764 70 78 GLU N N 117.575 0.000 . 765 71 79 LEU H H 8.818 0.000 . 766 71 79 LEU HA H 4.611 0.000 . 767 71 79 LEU HB2 H 1.322 0.000 . 768 71 79 LEU HB3 H 0.794 0.000 . 769 71 79 LEU HG H 1.403 0.000 . 770 71 79 LEU HD1 H 0.204 0.000 . 771 71 79 LEU HD2 H 0.521 0.000 . 772 71 79 LEU CA C 52.564 0.000 . 773 71 79 LEU CB C 44.395 0.000 . 774 71 79 LEU CG C 26.024 0.000 . 775 71 79 LEU CD1 C 26.076 0.000 . 776 71 79 LEU CD2 C 23.307 0.000 . 777 71 79 LEU N N 123.097 0.000 . 778 72 80 GLU H H 9.476 0.000 . 779 72 80 GLU HA H 4.687 0.000 . 780 72 80 GLU HB2 H 1.847 0.000 . 781 72 80 GLU HB3 H 1.792 0.000 . 782 72 80 GLU HG2 H 2.299 0.000 . 783 72 80 GLU HG3 H 2.011 0.000 . 784 72 80 GLU CA C 55.41 0.000 . 785 72 80 GLU CB C 30.855 0.000 . 786 72 80 GLU CG C 36.33 0.000 . 787 72 80 GLU N N 121.312 0.000 . 788 73 81 THR H H 8.154 0.000 . 789 73 81 THR HA H 4.554 0.000 . 790 73 81 THR HB H 4.428 0.000 . 791 73 81 THR HG2 H 0.761 0.000 . 792 73 81 THR CA C 60.138 0.000 . 793 73 81 THR CB C 72.149 0.000 . 794 73 81 THR CG2 C 21.206 0.000 . 795 73 81 THR N N 110.184 0.000 . 796 74 82 MET H H 9.574 0.000 . 797 74 82 MET HA H 3.941 0.000 . 798 74 82 MET HB2 H 1.808 0.000 . 799 74 82 MET HB3 H 2.186 0.000 . 800 74 82 MET HG2 H 2.304 0.000 . 801 74 82 MET HG3 H 2.56 0.000 . 802 74 82 MET HE H 2.16 0.000 . 803 74 82 MET CA C 58.29 0.000 . 804 74 82 MET CB C 34.352 0.000 . 805 74 82 MET CG C 32.515 0.000 . 806 74 82 MET CE C 17.111 0.000 . 807 74 82 MET N N 113.94 0.000 . 808 75 83 THR H H 7.406 0.000 . 809 75 83 THR HA H 4.255 0.000 . 810 75 83 THR HB H 4.478 0.000 . 811 75 83 THR HG2 H 1.065 0.000 . 812 75 83 THR CA C 61.228 0.000 . 813 75 83 THR CB C 68.399 0.000 . 814 75 83 THR CG2 C 22.898 0.000 . 815 75 83 THR N N 101.644 0.000 . 816 76 84 GLY H H 7.817 0.000 . 817 76 84 GLY HA2 H 4.27 0.000 . 818 76 84 GLY HA3 H 3.876 0.000 . 819 76 84 GLY CA C 45.248 0.000 . 820 76 84 GLY N N 107.945 0.000 . 821 77 85 GLU H H 7.295 0.000 . 822 77 85 GLU HA H 4.242 0.000 . 823 77 85 GLU HB2 H 1.71 0.000 . 824 77 85 GLU HB3 H 1.743 0.000 . 825 77 85 GLU HG2 H 2.022 0.000 . 826 77 85 GLU HG3 H 2.106 0.000 . 827 77 85 GLU CA C 55.582 0.000 . 828 77 85 GLU CB C 31.163 0.000 . 829 77 85 GLU CG C 36.344 0.000 . 830 77 85 GLU N N 117.798 0.000 . 831 78 86 LYS H H 8.45 0.000 . 832 78 86 LYS HA H 5.314 0.000 . 833 78 86 LYS HB2 H 1.674 0.000 . 834 78 86 LYS HB3 H 1.48 0.000 . 835 78 86 LYS HG2 H 1.419 0.000 . 836 78 86 LYS HG3 H 1.189 0.000 . 837 78 86 LYS HD2 H 1.552 0.000 . 838 78 86 LYS HD3 H 1.589 0.000 . 839 78 86 LYS HE2 H 2.89 0.000 . 840 78 86 LYS HE3 H 2.89 0.000 . 841 78 86 LYS CA C 54.601 0.000 . 842 78 86 LYS CB C 33.535 0.000 . 843 78 86 LYS CG C 25.224 0.000 . 844 78 86 LYS CD C 29.051 0.000 . 845 78 86 LYS CE C 41.895 0.000 . 846 78 86 LYS N N 120.829 0.000 . 847 79 87 VAL H H 8.961 0.000 . 848 79 87 VAL HA H 4.447 0.000 . 849 79 87 VAL HB H 1.869 0.000 . 850 79 87 VAL HG1 H 0.761 0.000 . 851 79 87 VAL HG2 H 0.598 0.000 . 852 79 87 VAL CA C 59.566 0.000 . 853 79 87 VAL CB C 35.041 0.000 . 854 79 87 VAL CG1 C 21.322 0.000 . 855 79 87 VAL CG2 C 20.011 0.000 . 856 79 87 VAL N N 117.929 0.000 . 857 80 88 LYS H H 8.417 0.000 . 858 80 88 LYS HA H 5.248 0.000 . 859 80 88 LYS HB2 H 1.672 0.000 . 860 80 88 LYS HB3 H 1.728 0.000 . 861 80 88 LYS HG2 H 1.247 0.000 . 862 80 88 LYS HG3 H 1.422 0.000 . 863 80 88 LYS HD2 H 1.609 0.000 . 864 80 88 LYS HD3 H 1.609 0.000 . 865 80 88 LYS CA C 55.099 0.000 . 866 80 88 LYS CB C 33.032 0.000 . 867 80 88 LYS CG C 25.204 0.000 . 868 80 88 LYS CD C 29.251 0.000 . 869 80 88 LYS N N 123.096 0.000 . 870 81 89 THR H H 8.733 0.000 . 871 81 89 THR HA H 4.666 0.000 . 872 81 89 THR HB H 4.072 0.000 . 873 81 89 THR HG2 H 0.643 0.000 . 874 81 89 THR CA C 58.791 0.000 . 875 81 89 THR CB C 68.978 0.000 . 876 81 89 THR CG2 C 19.184 0.000 . 877 81 89 THR N N 117.673 0.000 . 878 82 90 VAL H H 8.059 0.000 . 879 82 90 VAL HA H 4.217 0.000 . 880 82 90 VAL HB H 1.79 0.000 . 881 82 90 VAL HG1 H 0.659 0.000 . 882 82 90 VAL HG2 H 0.659 0.000 . 883 82 90 VAL CA C 61.174 0.000 . 884 82 90 VAL CB C 35.6 0.000 . 885 82 90 VAL CG1 C 20.63 0.000 . 886 82 90 VAL CG2 C 20.635 0.000 . 887 82 90 VAL N N 116.694 0.000 . 888 83 91 VAL H H 9.712 0.000 . 889 83 91 VAL HA H 4.162 0.000 . 890 83 91 VAL HB H 1.373 0.000 . 891 83 91 VAL HG1 H -0.282 0.000 . 892 83 91 VAL HG2 H 0.364 0.000 . 893 83 91 VAL CA C 60.977 0.000 . 894 83 91 VAL CB C 32.137 0.000 . 895 83 91 VAL CG1 C 19.36 0.000 . 896 83 91 VAL CG2 C 22.395 0.000 . 897 83 91 VAL N N 130.932 0.000 . 898 84 92 GLN H H 8.858 0.000 . 899 84 92 GLN HA H 4.904 0.000 . 900 84 92 GLN HB2 H 1.698 0.000 . 901 84 92 GLN HB3 H 2.061 0.000 . 902 84 92 GLN HG2 H 2.194 0.000 . 903 84 92 GLN HG3 H 2.35 0.000 . 904 84 92 GLN HE21 H 6.748 0.000 . 905 84 92 GLN HE22 H 7.311 0.000 . 906 84 92 GLN CA C 53.608 0.000 . 907 84 92 GLN CB C 31.184 0.000 . 908 84 92 GLN CG C 32.488 0.000 . 909 84 92 GLN N N 122.123 0.000 . 910 84 92 GLN NE2 N 107.455 0.000 . 911 85 93 LEU H H 8.401 0.000 . 912 85 93 LEU HA H 5.263 0.000 . 913 85 93 LEU HB2 H 1.412 0.000 . 914 85 93 LEU HB3 H 1.923 0.000 . 915 85 93 LEU HG H 1.69 0.000 . 916 85 93 LEU HD1 H 1.036 0.000 . 917 85 93 LEU HD2 H 0.996 0.000 . 918 85 93 LEU CA C 53.961 0.000 . 919 85 93 LEU CB C 44.5 0.000 . 920 85 93 LEU CG C 27.449 0.000 . 921 85 93 LEU CD1 C 25.583 0.000 . 922 85 93 LEU CD2 C 24.561 0.000 . 923 85 93 LEU N N 120.97 0.000 . 924 86 94 GLU H H 9.036 0.000 . 925 86 94 GLU HA H 4.566 0.000 . 926 86 94 GLU HB2 H 1.729 0.000 . 927 86 94 GLU HB3 H 1.905 0.000 . 928 86 94 GLU HG2 H 2.124 0.000 . 929 86 94 GLU HG3 H 2.06 0.000 . 930 86 94 GLU CA C 55.161 0.000 . 931 86 94 GLU CB C 31.607 0.000 . 932 86 94 GLU CG C 36.397 0.000 . 933 86 94 GLU N N 125.629 0.000 . 934 87 95 GLY H H 8.346 0.000 . 935 87 95 GLY HA2 H 3.741 0.000 . 936 87 95 GLY HA3 H 4.107 0.000 . 937 87 95 GLY CA C 45.999 0.000 . 938 87 95 GLY N N 109.938 0.000 . 939 88 96 ASP H H 8.44 0.000 . 940 88 96 ASP HA H 4.785 0.000 . 941 88 96 ASP HB2 H 2.797 0.000 . 942 88 96 ASP HB3 H 2.73 0.000 . 943 88 96 ASP CA C 54.776 0.000 . 944 88 96 ASP CB C 41.897 0.000 . 945 88 96 ASP N N 115.221 0.000 . 946 89 97 ASN H H 8.171 0.000 . 947 89 97 ASN HA H 4.879 0.000 . 948 89 97 ASN HB2 H 3.455 0.000 . 949 89 97 ASN HB3 H 2.645 0.000 . 950 89 97 ASN HD21 H 6.891 0.000 . 951 89 97 ASN HD22 H 7.366 0.000 . 952 89 97 ASN CA C 53.187 0.000 . 953 89 97 ASN CB C 39.854 0.000 . 954 89 97 ASN N N 111.833 0.000 . 955 89 97 ASN ND2 N 109.791 0.000 . 956 90 98 LYS H H 7.448 0.000 . 957 90 98 LYS HA H 5.727 0.000 . 958 90 98 LYS HB2 H 1.931 0.000 . 959 90 98 LYS HB3 H 1.661 0.000 . 960 90 98 LYS HG2 H 1.344 0.000 . 961 90 98 LYS HG3 H 1.107 0.000 . 962 90 98 LYS HD2 H 1.566 0.000 . 963 90 98 LYS HD3 H 1.566 0.000 . 964 90 98 LYS CA C 55.132 0.000 . 965 90 98 LYS CB C 36.251 0.000 . 966 90 98 LYS CG C 25.197 0.000 . 967 90 98 LYS CD C 29.362 0.000 . 968 90 98 LYS N N 115.959 0.000 . 969 91 99 LEU H H 9.025 0.000 . 970 91 99 LEU HA H 5.201 0.000 . 971 91 99 LEU HB2 H 1.437 0.000 . 972 91 99 LEU HB3 H 0.772 0.000 . 973 91 99 LEU HG H 1.082 0.000 . 974 91 99 LEU HD1 H -0.059 0.000 . 975 91 99 LEU HD2 H 0.165 0.000 . 976 91 99 LEU CA C 52.764 0.000 . 977 91 99 LEU CB C 44.46 0.000 . 978 91 99 LEU CG C 25.626 0.000 . 979 91 99 LEU CD1 C 25.595 0.000 . 980 91 99 LEU CD2 C 23.788 0.000 . 981 91 99 LEU N N 121.545 0.000 . 982 92 100 VAL H H 9.193 0.000 . 983 92 100 VAL HA H 5.045 0.000 . 984 92 100 VAL HB H 1.823 0.000 . 985 92 100 VAL HG1 H 0.861 0.000 . 986 92 100 VAL HG2 H 0.861 0.000 . 987 92 100 VAL CA C 60.409 0.000 . 988 92 100 VAL CB C 35.391 0.000 . 989 92 100 VAL CG1 C 21.23 0.000 . 990 92 100 VAL CG2 C 21.229 0.000 . 991 92 100 VAL N N 119.853 0.000 . 992 93 101 THR H H 8.764 0.000 . 993 93 101 THR HA H 4.59 0.000 . 994 93 101 THR HB H 3.818 0.000 . 995 93 101 THR HG2 H 0.507 0.000 . 996 93 101 THR CA C 60.538 0.000 . 997 93 101 THR CB C 69.058 0.000 . 998 93 101 THR CG2 C 18.639 0.000 . 999 93 101 THR N N 117.87 0.000 . 1000 94 102 THR H H 7.937 0.000 . 1001 94 102 THR HA H 5.063 0.000 . 1002 94 102 THR HB H 3.816 0.000 . 1003 94 102 THR HG2 H 0.976 0.000 . 1004 94 102 THR CA C 59.469 0.000 . 1005 94 102 THR CB C 71.43 0.000 . 1006 94 102 THR CG2 C 21.286 0.000 . 1007 94 102 THR N N 112.563 0.000 . 1008 95 103 PHE H H 8.59 0.000 . 1009 95 103 PHE HA H 4.681 0.000 . 1010 95 103 PHE HB2 H 2.843 0.000 . 1011 95 103 PHE HB3 H 2.914 0.000 . 1012 95 103 PHE HD1 H 6.802 0.000 . 1013 95 103 PHE HD2 H 6.802 0.000 . 1014 95 103 PHE HE1 H 7.01 0.000 . 1015 95 103 PHE HE2 H 7.01 0.000 . 1016 95 103 PHE HZ H 7.173 0.000 . 1017 95 103 PHE CA C 55.629 0.000 . 1018 95 103 PHE CB C 40.196 0.000 . 1019 95 103 PHE CD1 C 131.914 0.000 . 1020 95 103 PHE CD2 C 131.921 0.000 . 1021 95 103 PHE CE1 C 130.791 0.000 . 1022 95 103 PHE CE2 C 130.79 0.000 . 1023 95 103 PHE CZ C 128.901 0.000 . 1024 95 103 PHE N N 118.742 0.000 . 1025 96 104 LYS H H 9.156 0.000 . 1026 96 104 LYS HA H 3.741 0.000 . 1027 96 104 LYS HB2 H 1.942 0.000 . 1028 96 104 LYS HB3 H 2.021 0.000 . 1029 96 104 LYS HG2 H 1.427 0.000 . 1030 96 104 LYS HG3 H 1.427 0.000 . 1031 96 104 LYS HD2 H 1.676 0.000 . 1032 96 104 LYS HD3 H 1.676 0.000 . 1033 96 104 LYS HE2 H 2.912 0.000 . 1034 96 104 LYS HE3 H 2.912 0.000 . 1035 96 104 LYS CA C 58.361 0.000 . 1036 96 104 LYS CB C 29.357 0.000 . 1037 96 104 LYS CG C 25.103 0.000 . 1038 96 104 LYS CD C 29.249 0.000 . 1039 96 104 LYS N N 117.94 0.000 . 1040 97 105 ASN H H 8.49 0.000 . 1041 97 105 ASN HA H 4.385 0.000 . 1042 97 105 ASN HB2 H 2.978 0.000 . 1043 97 105 ASN HB3 H 2.883 0.000 . 1044 97 105 ASN HD21 H 6.73 0.000 . 1045 97 105 ASN HD22 H 7.41 0.000 . 1046 97 105 ASN CA C 54.041 0.000 . 1047 97 105 ASN CB C 37.773 0.000 . 1048 97 105 ASN N N 111.791 0.000 . 1049 97 105 ASN ND2 N 109.487 0.000 . 1050 98 106 ILE H H 8.183 0.000 . 1051 98 106 ILE HA H 4.395 0.000 . 1052 98 106 ILE HB H 2.055 0.000 . 1053 98 106 ILE HG12 H 0.958 0.000 . 1054 98 106 ILE HG13 H 1.824 0.000 . 1055 98 106 ILE HG2 H 1.032 0.000 . 1056 98 106 ILE HD1 H 0.955 0.000 . 1057 98 106 ILE CA C 60.8 0.000 . 1058 98 106 ILE CB C 40.018 0.000 . 1059 98 106 ILE CG1 C 28.245 0.000 . 1060 98 106 ILE CG2 C 18.676 0.000 . 1061 98 106 ILE CD1 C 14.604 0.000 . 1062 98 106 ILE N N 119.312 0.000 . 1063 99 107 LYS H H 8.238 0.000 . 1064 99 107 LYS HA H 4.567 0.000 . 1065 99 107 LYS HB2 H 1.834 0.000 . 1066 99 107 LYS HB3 H 1.738 0.000 . 1067 99 107 LYS CA C 55.739 0.000 . 1068 99 107 LYS CB C 33.871 0.000 . 1069 99 107 LYS N N 125.48 0.000 . 1070 100 108 SER H H 8.67 0.000 . 1071 100 108 SER HA H 5.331 0.000 . 1072 100 108 SER HB2 H 3.25 0.000 . 1073 100 108 SER HB3 H 3.628 0.000 . 1074 100 108 SER CA C 56.756 0.000 . 1075 100 108 SER CB C 65.224 0.000 . 1076 100 108 SER N N 117.483 0.000 . 1077 101 109 VAL H H 8.72 0.000 . 1078 101 109 VAL HA H 4.814 0.000 . 1079 101 109 VAL HB H 1.947 0.000 . 1080 101 109 VAL HG1 H 0.925 0.000 . 1081 101 109 VAL HG2 H 0.838 0.000 . 1082 101 109 VAL CA C 61.385 0.000 . 1083 101 109 VAL CB C 35.091 0.000 . 1084 101 109 VAL CG1 C 21.18 0.000 . 1085 101 109 VAL CG2 C 21.182 0.000 . 1086 101 109 VAL N N 126.143 0.000 . 1087 102 110 THR H H 9.565 0.000 . 1088 102 110 THR HA H 5.109 0.000 . 1089 102 110 THR HB H 3.967 0.000 . 1090 102 110 THR HG2 H 1.227 0.000 . 1091 102 110 THR CA C 61.759 0.000 . 1092 102 110 THR CB C 69.952 0.000 . 1093 102 110 THR CG2 C 23.064 0.000 . 1094 102 110 THR N N 127.208 0.000 . 1095 103 111 GLU H H 9.13 0.000 . 1096 103 111 GLU HA H 5.454 0.000 . 1097 103 111 GLU HB2 H 1.942 0.000 . 1098 103 111 GLU HB3 H 1.663 0.000 . 1099 103 111 GLU HG2 H 1.93 0.000 . 1100 103 111 GLU HG3 H 2.063 0.000 . 1101 103 111 GLU CA C 54.418 0.000 . 1102 103 111 GLU CB C 33.946 0.000 . 1103 103 111 GLU CG C 36.696 0.000 . 1104 103 111 GLU N N 124.471 0.000 . 1105 104 112 LEU H H 8.504 0.000 . 1106 104 112 LEU HA H 4.728 0.000 . 1107 104 112 LEU HB2 H 0.674 0.000 . 1108 104 112 LEU HB3 H 1.217 0.000 . 1109 104 112 LEU HG H 1.125 0.000 . 1110 104 112 LEU HD1 H 0.6 0.000 . 1111 104 112 LEU HD2 H 0.289 0.000 . 1112 104 112 LEU CA C 53.748 0.000 . 1113 104 112 LEU CB C 45.314 0.000 . 1114 104 112 LEU CG C 27.019 0.000 . 1115 104 112 LEU CD1 C 22.962 0.000 . 1116 104 112 LEU CD2 C 26.86 0.000 . 1117 104 112 LEU N N 126.557 0.000 . 1118 105 113 ASN H H 8.916 0.000 . 1119 105 113 ASN HA H 4.875 0.000 . 1120 105 113 ASN HB2 H 2.566 0.000 . 1121 105 113 ASN HB3 H 2.672 0.000 . 1122 105 113 ASN HD21 H 7.444 0.000 . 1123 105 113 ASN HD22 H 7.036 0.000 . 1124 105 113 ASN CA C 52.375 0.000 . 1125 105 113 ASN CB C 40.431 0.000 . 1126 105 113 ASN N N 123.698 0.000 . 1127 105 113 ASN ND2 N 110.204 0.000 . 1128 106 114 GLY H H 8.744 0.000 . 1129 106 114 GLY HA2 H 3.981 0.000 . 1130 106 114 GLY HA3 H 3.541 0.000 . 1131 106 114 GLY CA C 47.853 0.000 . 1132 106 114 GLY N N 112.578 0.000 . 1133 107 115 ASP H H 8.712 0.000 . 1134 107 115 ASP HA H 4.711 0.000 . 1135 107 115 ASP HB2 H 2.931 0.000 . 1136 107 115 ASP HB3 H 2.728 0.000 . 1137 107 115 ASP CA C 53.613 0.000 . 1138 107 115 ASP CB C 41.753 0.000 . 1139 107 115 ASP N N 124.017 0.000 . 1140 108 116 ILE H H 7.781 0.000 . 1141 108 116 ILE HA H 5.013 0.000 . 1142 108 116 ILE HB H 2.029 0.000 . 1143 108 116 ILE HG12 H 1.359 0.000 . 1144 108 116 ILE HG13 H 1.534 0.000 . 1145 108 116 ILE HG2 H 0.854 0.000 . 1146 108 116 ILE HD1 H 0.777 0.000 . 1147 108 116 ILE CA C 58.581 0.000 . 1148 108 116 ILE CB C 39.41 0.000 . 1149 108 116 ILE CG1 C 26.982 0.000 . 1150 108 116 ILE CG2 C 17.712 0.000 . 1151 108 116 ILE CD1 C 11.052 0.000 . 1152 108 116 ILE N N 116.887 0.000 . 1153 109 117 ILE H H 8.903 0.000 . 1154 109 117 ILE HA H 5.205 0.000 . 1155 109 117 ILE HB H 1.207 0.000 . 1156 109 117 ILE HG12 H 1.325 0.000 . 1157 109 117 ILE HG13 H 0.615 0.000 . 1158 109 117 ILE HG2 H 0.436 0.000 . 1159 109 117 ILE HD1 H 0.329 0.000 . 1160 109 117 ILE CA C 58.531 0.000 . 1161 109 117 ILE CB C 41.468 0.000 . 1162 109 117 ILE CG1 C 29.167 0.000 . 1163 109 117 ILE CG2 C 18.996 0.000 . 1164 109 117 ILE CD1 C 13.914 0.000 . 1165 109 117 ILE N N 125.427 0.000 . 1166 110 118 THR H H 8.863 0.000 . 1167 110 118 THR HA H 5.101 0.000 . 1168 110 118 THR HB H 3.943 0.000 . 1169 110 118 THR HG2 H 1.045 0.000 . 1170 110 118 THR CA C 60.102 0.000 . 1171 110 118 THR CB C 70.589 0.000 . 1172 110 118 THR CG2 C 21.077 0.000 . 1173 110 118 THR N N 118.619 0.000 . 1174 111 119 ASN H H 9.096 0.000 . 1175 111 119 ASN HA H 5.654 0.000 . 1176 111 119 ASN HB2 H 1.948 0.000 . 1177 111 119 ASN HB3 H 2.192 0.000 . 1178 111 119 ASN HD21 H 6.076 0.000 . 1179 111 119 ASN HD22 H 6.688 0.000 . 1180 111 119 ASN CA C 52.394 0.000 . 1181 111 119 ASN CB C 43.261 0.000 . 1182 111 119 ASN N N 122.477 0.000 . 1183 111 119 ASN ND2 N 106.795 0.000 . 1184 112 120 THR H H 9.168 0.000 . 1185 112 120 THR HA H 4.765 0.000 . 1186 112 120 THR HB H 3.792 0.000 . 1187 112 120 THR HG2 H 0.951 0.000 . 1188 112 120 THR CA C 61.63 0.000 . 1189 112 120 THR CB C 69.952 0.000 . 1190 112 120 THR CG2 C 22.052 0.000 . 1191 112 120 THR N N 120.811 0.000 . 1192 113 121 MET H H 9.071 0.000 . 1193 113 121 MET HA H 5.527 0.000 . 1194 113 121 MET HB2 H 1.61 0.000 . 1195 113 121 MET HB3 H 1.925 0.000 . 1196 113 121 MET HG2 H 2.398 0.000 . 1197 113 121 MET HG3 H 2.398 0.000 . 1198 113 121 MET HE H 1.926 0.000 . 1199 113 121 MET CA C 54.256 0.000 . 1200 113 121 MET CB C 37.534 0.000 . 1201 113 121 MET CG C 32.995 0.000 . 1202 113 121 MET CE C 18.584 0.000 . 1203 113 121 MET N N 124.156 0.000 . 1204 114 122 THR H H 8.487 0.000 . 1205 114 122 THR HA H 5.308 0.000 . 1206 114 122 THR HB H 3.951 0.000 . 1207 114 122 THR HG2 H 1.134 0.000 . 1208 114 122 THR CA C 61.233 0.000 . 1209 114 122 THR CB C 70.73 0.000 . 1210 114 122 THR CG2 C 21.757 0.000 . 1211 114 122 THR N N 114.386 0.000 . 1212 115 123 LEU H H 8.86 0.000 . 1213 115 123 LEU HA H 4.699 0.000 . 1214 115 123 LEU HB2 H 1.258 0.000 . 1215 115 123 LEU HB3 H 1.724 0.000 . 1216 115 123 LEU HG H 1.357 0.000 . 1217 115 123 LEU HD1 H 0.699 0.000 . 1218 115 123 LEU HD2 H 0.503 0.000 . 1219 115 123 LEU CA C 53.731 0.000 . 1220 115 123 LEU CB C 44.788 0.000 . 1221 115 123 LEU CG C 27.73 0.000 . 1222 115 123 LEU CD1 C 23.48 0.000 . 1223 115 123 LEU CD2 C 26.187 0.000 . 1224 115 123 LEU N N 126.878 0.000 . 1225 116 124 GLY H H 9.021 0.000 . 1226 116 124 GLY HA2 H 3.592 0.000 . 1227 116 124 GLY HA3 H 3.921 0.000 . 1228 116 124 GLY CA C 47.521 0.000 . 1229 116 124 GLY N N 114.986 0.000 . 1230 117 125 ASP H H 8.593 0.000 . 1231 117 125 ASP HA H 4.577 0.000 . 1232 117 125 ASP HB2 H 2.655 0.000 . 1233 117 125 ASP HB3 H 2.714 0.000 . 1234 117 125 ASP CA C 53.89 0.000 . 1235 117 125 ASP CB C 40.922 0.000 . 1236 117 125 ASP N N 123.685 0.000 . 1237 118 126 ILE H H 8.317 0.000 . 1238 118 126 ILE HA H 4.028 0.000 . 1239 118 126 ILE HB H 2.216 0.000 . 1240 118 126 ILE HG12 H 1.029 0.000 . 1241 118 126 ILE HG13 H 1.686 0.000 . 1242 118 126 ILE HG2 H 0.947 0.000 . 1243 118 126 ILE HD1 H 0.765 0.000 . 1244 118 126 ILE CA C 61.601 0.000 . 1245 118 126 ILE CB C 38.797 0.000 . 1246 118 126 ILE CG1 C 27.266 0.000 . 1247 118 126 ILE CG2 C 17.969 0.000 . 1248 118 126 ILE CD1 C 13.872 0.000 . 1249 118 126 ILE N N 119.758 0.000 . 1250 119 127 VAL H H 8.28 0.000 . 1251 119 127 VAL HA H 4.712 0.000 . 1252 119 127 VAL HB H 1.96 0.000 . 1253 119 127 VAL HG1 H 0.736 0.000 . 1254 119 127 VAL HG2 H 0.858 0.000 . 1255 119 127 VAL CA C 61.262 0.000 . 1256 119 127 VAL CB C 32.902 0.000 . 1257 119 127 VAL CG1 C 21.81 0.000 . 1258 119 127 VAL CG2 C 20.676 0.000 . 1259 119 127 VAL N N 124.72 0.000 . 1260 120 128 PHE H H 9.174 0.000 . 1261 120 128 PHE HA H 5.531 0.000 . 1262 120 128 PHE HB2 H 2.801 0.000 . 1263 120 128 PHE HB3 H 2.163 0.000 . 1264 120 128 PHE HD1 H 6.717 0.000 . 1265 120 128 PHE HD2 H 6.717 0.000 . 1266 120 128 PHE HE1 H 7.056 0.000 . 1267 120 128 PHE HE2 H 7.056 0.000 . 1268 120 128 PHE HZ H 7.329 0.000 . 1269 120 128 PHE CA C 53.604 0.000 . 1270 120 128 PHE CB C 40.887 0.000 . 1271 120 128 PHE CD1 C 131.543 0.000 . 1272 120 128 PHE CD2 C 131.54 0.000 . 1273 120 128 PHE CE1 C 130.433 0.000 . 1274 120 128 PHE CE2 C 130.451 0.000 . 1275 120 128 PHE CZ C 129.267 0.000 . 1276 120 128 PHE N N 127.956 0.000 . 1277 121 129 LYS H H 8.268 0.000 . 1278 121 129 LYS HA H 5.312 0.000 . 1279 121 129 LYS HB2 H 1.421 0.000 . 1280 121 129 LYS HB3 H 1.524 0.000 . 1281 121 129 LYS HG2 H 1.155 0.000 . 1282 121 129 LYS HG3 H 1.238 0.000 . 1283 121 129 LYS HD2 H 1.493 0.000 . 1284 121 129 LYS HD3 H 1.493 0.000 . 1285 121 129 LYS CA C 54.115 0.000 . 1286 121 129 LYS CB C 37.291 0.000 . 1287 121 129 LYS CG C 25.323 0.000 . 1288 121 129 LYS CD C 29.523 0.000 . 1289 121 129 LYS N N 127.049 0.000 . 1290 122 130 ARG H H 8.554 0.000 . 1291 122 130 ARG HA H 4.676 0.000 . 1292 122 130 ARG HB2 H 1.032 0.000 . 1293 122 130 ARG HB3 H 1.63 0.000 . 1294 122 130 ARG HG2 H 1.102 0.000 . 1295 122 130 ARG HG3 H 1.483 0.000 . 1296 122 130 ARG HD2 H 2.023 0.000 . 1297 122 130 ARG HD3 H 3.213 0.000 . 1298 122 130 ARG HE H 8.742 0.000 . 1299 122 130 ARG HH11 H 6.818 0.000 . 1300 122 130 ARG HH21 H 6.879 0.000 . 1301 122 130 ARG CA C 54.948 0.000 . 1302 122 130 ARG CB C 34.883 0.000 . 1303 122 130 ARG CG C 28.565 0.000 . 1304 122 130 ARG CD C 43.796 0.000 . 1305 122 130 ARG N N 121.194 0.000 . 1306 122 130 ARG NE N 82.82 0.000 . 1307 122 130 ARG NH1 N 66.697 0.000 . 1308 122 130 ARG NH2 N 66.84 0.000 . 1309 123 131 ILE H H 8.684 0.000 . 1310 123 131 ILE HA H 4.702 0.000 . 1311 123 131 ILE HB H 1.781 0.000 . 1312 123 131 ILE HG12 H 1.019 0.000 . 1313 123 131 ILE HG13 H 1.309 0.000 . 1314 123 131 ILE HG2 H 0.801 0.000 . 1315 123 131 ILE HD1 H 0.731 0.000 . 1316 123 131 ILE CA C 61.221 0.000 . 1317 123 131 ILE CB C 40.068 0.000 . 1318 123 131 ILE CG1 C 28.142 0.000 . 1319 123 131 ILE CG2 C 17.992 0.000 . 1320 123 131 ILE CD1 C 13.961 0.000 . 1321 123 131 ILE N N 122.573 0.000 . 1322 124 132 SER H H 9.099 0.000 . 1323 124 132 SER HA H 5.295 0.000 . 1324 124 132 SER HB2 H 3.445 0.000 . 1325 124 132 SER HB3 H 3.505 0.000 . 1326 124 132 SER CA C 57.907 0.000 . 1327 124 132 SER CB C 65.755 0.000 . 1328 124 132 SER N N 120.955 0.000 . 1329 125 133 LYS H H 8.474 0.000 . 1330 125 133 LYS HA H 5.5 0.000 . 1331 125 133 LYS HB2 H 1.777 0.000 . 1332 125 133 LYS HB3 H 1.561 0.000 . 1333 125 133 LYS HG2 H 1.351 0.000 . 1334 125 133 LYS HG3 H 1.559 0.000 . 1335 125 133 LYS CA C 53.909 0.000 . 1336 125 133 LYS CB C 37.263 0.000 . 1337 125 133 LYS CG C 24.797 0.000 . 1338 125 133 LYS N N 119.801 0.000 . 1339 126 134 ARG H H 9.005 0.000 . 1340 126 134 ARG HA H 4.148 0.000 . 1341 126 134 ARG HB2 H 1.579 0.000 . 1342 126 134 ARG HB3 H 1.634 0.000 . 1343 126 134 ARG HG2 H 1.541 0.000 . 1344 126 134 ARG HG3 H 1.24 0.000 . 1345 126 134 ARG HD2 H 3.221 0.000 . 1346 126 134 ARG HD3 H 3.115 0.000 . 1347 126 134 ARG HE H 7.107 0.000 . 1348 126 134 ARG CA C 56.956 0.000 . 1349 126 134 ARG CB C 31.384 0.000 . 1350 126 134 ARG CG C 27.012 0.000 . 1351 126 134 ARG CD C 43.663 0.000 . 1352 126 134 ARG N N 125.741 0.000 . 1353 126 134 ARG NE N 80.214 0.000 . 1354 127 135 ILE H H 8.318 0.000 . 1355 127 135 ILE HA H 4.104 0.000 . 1356 127 135 ILE HB H 1.78 0.000 . 1357 127 135 ILE HG12 H 1.248 0.000 . 1358 127 135 ILE HG13 H 0.83 0.000 . 1359 127 135 ILE HG2 H 0.853 0.000 . 1360 127 135 ILE HD1 H 0.779 0.000 . 1361 127 135 ILE CA C 62.594 0.000 . 1362 127 135 ILE CB C 39.968 0.000 . 1363 127 135 ILE CG1 C 27.251 0.000 . 1364 127 135 ILE CG2 C 18.524 0.000 . 1365 127 135 ILE CD1 C 14.472 0.000 . 1366 127 135 ILE N N 127.137 0.000 . stop_ save_