data_15433 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution-State Structures of Oleate-Liganded LFABP, Protein Only ; _BMRB_accession_number 15433 _BMRB_flat_file_name bmr15433.str _Entry_type original _Submission_date 2007-08-15 _Accession_date 2007-08-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The structures are that of the fully oleate-liganded LFABP (protein-ligand ratio 1:2). However, they are drived from information pertaining protein alone. A major form of the complex coordinates is deposited separately. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Yan . . 2 Yang Xiaomin . . 3 Wang Hsin . . 4 Estephan Rima . . 5 Francis Fouad . . 6 Kodukula Sarala . . 7 Storch Judith . . 8 Stark Ruth E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 724 "13C chemical shifts" 608 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 15429 'Solution-State Structures of apo-LFABP (Liver Fatty Acid-Binding Protein)' 4098 'resonance assignments and secondary structure' stop_ _Original_release_date 2007-08-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution-state molecular structure of apo and oleate-liganded liver fatty acid-binding protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17927211 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Yan . . 2 Yang Xiaomin . . 3 Wang Hsin . . 4 Estephan Rima . . 5 Francis Fouad . . 6 Kodukula Sarala . . 7 Storch Judith . . 8 Stark Ruth E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 44 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12543 _Page_last 12556 _Year 2007 _Details . loop_ _Keyword LFABP NMR iLBP oleate stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name holoLFABP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LFABP $LFABP oleate $OLA oleate $OLA stop_ _System_molecular_weight 14273 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'facilitate intracellular lipid transport' 'facilitate lipid uptake and metabolic regulation' stop_ _Database_query_date . _Details ; This entry contains information derived from protein alone in the presence of 3 equivalents of ligands. Two ligands were identified in the protein cavity. ; save_ ######################## # Monomeric polymers # ######################## save_LFABP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LFABP _Molecular_mass 14295.663 _Mol_thiol_state 'not reported' loop_ _Biological_function 'facilitate intracellular lipid transport' 'facilitate lipid uptake and metabolic regulation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MNFSGKYQVQSQENFEPFMK AMGLPEDLIQKGKDIKGVSE IVHEGKKVKLTITYGSKVIH NEFTLGEECELETMTGEKVK AVVKMEGDNKMVTTFKGIKS VTEFNGDTITNTMTLGDIVY KRVSKRI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 PHE 4 SER 5 GLY 6 LYS 7 TYR 8 GLN 9 VAL 10 GLN 11 SER 12 GLN 13 GLU 14 ASN 15 PHE 16 GLU 17 PRO 18 PHE 19 MET 20 LYS 21 ALA 22 MET 23 GLY 24 LEU 25 PRO 26 GLU 27 ASP 28 LEU 29 ILE 30 GLN 31 LYS 32 GLY 33 LYS 34 ASP 35 ILE 36 LYS 37 GLY 38 VAL 39 SER 40 GLU 41 ILE 42 VAL 43 HIS 44 GLU 45 GLY 46 LYS 47 LYS 48 VAL 49 LYS 50 LEU 51 THR 52 ILE 53 THR 54 TYR 55 GLY 56 SER 57 LYS 58 VAL 59 ILE 60 HIS 61 ASN 62 GLU 63 PHE 64 THR 65 LEU 66 GLY 67 GLU 68 GLU 69 CYS 70 GLU 71 LEU 72 GLU 73 THR 74 MET 75 THR 76 GLY 77 GLU 78 LYS 79 VAL 80 LYS 81 ALA 82 VAL 83 VAL 84 LYS 85 MET 86 GLU 87 GLY 88 ASP 89 ASN 90 LYS 91 MET 92 VAL 93 THR 94 THR 95 PHE 96 LYS 97 GLY 98 ILE 99 LYS 100 SER 101 VAL 102 THR 103 GLU 104 PHE 105 ASN 106 GLY 107 ASP 108 THR 109 ILE 110 THR 111 ASN 112 THR 113 MET 114 THR 115 LEU 116 GLY 117 ASP 118 ILE 119 VAL 120 TYR 121 LYS 122 ARG 123 VAL 124 SER 125 LYS 126 ARG 127 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SWS P02692 FABPL_RAT . . . . . stop_ save_ ############# # Ligands # ############# save_OLA _Saveframe_category ligand _Mol_type non-polymer _Name_common "OLA (OLEIC ACID)" _BMRB_code . _PDB_code OLA _Molecular_mass 282.461 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:59:11 2011 ; 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 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 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 . ? H9 H9 H . 0 . ? H10 H10 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 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H171 H171 H . 0 . ? H172 H172 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H183 H183 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 ? ? DOUB C9 C10 ? ? SING C9 H9 ? ? SING C10 C11 ? ? SING C10 H10 ? ? 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 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C15 C16 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C16 C17 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C17 C18 ? ? SING C17 H171 ? ? SING C17 H172 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? 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 $LFABP Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $LFABP 'recombinant technology' . Escherichia coli BL21(DE3) pLys pET-11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'U-13C, 15N-LFABP with 3 equivalents of unlabeled-oleate to LFABP, pH7' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $LFABP . mM 0.7 1.0 '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' EDTA 5 uM . . 'natural abundance' D2O 5 % . . 'natural abundance' oleate 3 eq . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'U-13C, 15N-LFABP with 3 equivalents of unlabeled oleate to LFABP, pD7' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $LFABP . mM 0.7 1.0 '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' EDTA 5 uM . . 'natural abundance' D2O 98 % . . 'natural abundance' oleate 3 eq . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'U-N15-LFABP with 3 equivalents of U-13C-oleate, pH7' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $LFABP . mM 0.5 1.3 '[U-99% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' EDTA 5 uM . . 'natural abundance' D2O 5 % . . 'natural abundance' oleate 3 eq . . '[U-99% 13C]' 'sodium chloride' 100 mM . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'N15-LFABP with 3 equivalents of U-13C-oleate in the C12/E5 alignment medium' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LFABP 0.3 mM '[U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' EDTA 5 uM 'natural abundance' D2O 5 % 'natural abundance' C12E5 5 % 'natural abundance' oleate 3 eq '[U-99% 13C]' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.0 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'graphic display' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th' . . stop_ loop_ _Task 'structure analysis' stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address 'Wishart, Sykes' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_4D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_4D_1H-13C-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCACOHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACOHA' _Sample_label $sample_1 save_ save_2D_(HB)CB(CD)HD_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CDCE)HE_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CDCE)HE' _Sample_label $sample_1 save_ save_2D_CG(CB)HB_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CG(CB)HB' _Sample_label $sample_1 save_ save_2D_CG(CD)HD_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CG(CD)HD' _Sample_label $sample_1 save_ save_2D_CG(CDCE)HE_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CG(CDCE)HE' _Sample_label $sample_1 save_ save_3D_CT-HMQC-COSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CT-HMQC-COSY' _Sample_label $sample_1 save_ save_2D_hisHCN_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D hisHCN' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7 . pH pressure 1 . atm temperature 303 . 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' 0.15 . M pD 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D C(CO)NH' '3D H(CO)NH' '3D HNCO' '3D CBCACOHA' '2D (HB)CB(CD)HD' '2D (HB)CB(CDCE)HE' '2D CG(CB)HB' '2D CG(CD)HD' '2D CG(CDCE)HE' '3D CT-HMQC-COSY' '2D hisHCN' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name LFABP _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 ASN HA H 4.760 . 1 2 2 2 ASN HB2 H 2.540 . 1 3 2 2 ASN HB3 H 2.800 . 1 4 2 2 ASN HD21 H 7.550 . 1 5 2 2 ASN HD22 H 7.070 . 1 6 2 2 ASN C C 176.100 . 1 7 2 2 ASN CA C 52.200 . 1 8 2 2 ASN CB C 40.500 . 1 9 2 2 ASN CG C 177.600 . 1 10 2 2 ASN ND2 N 116.600 . 1 11 3 3 PHE H H 11.284 . 1 12 3 3 PHE HA H 4.510 . 1 13 3 3 PHE HB2 H 2.210 . 1 14 3 3 PHE HB3 H 3.080 . 1 15 3 3 PHE HD1 H 6.169 . 1 16 3 3 PHE HD2 H 6.169 . 1 17 3 3 PHE HE1 H 6.866 . 1 18 3 3 PHE HE2 H 6.866 . 1 19 3 3 PHE C C 176.800 . 1 20 3 3 PHE CA C 57.200 . 1 21 3 3 PHE CB C 38.800 . 1 22 3 3 PHE CD1 C 130.946 . 1 23 3 3 PHE CD2 C 130.946 . 1 24 3 3 PHE CE1 C 130.511 . 1 25 3 3 PHE CE2 C 130.511 . 1 26 3 3 PHE CG C 138.600 . 1 27 3 3 PHE N N 131.755 . 1 28 4 4 SER H H 8.667 . 1 29 4 4 SER HA H 4.420 . 1 30 4 4 SER HB2 H 3.980 . 1 31 4 4 SER HB3 H 4.130 . 1 32 4 4 SER C C 174.200 . 1 33 4 4 SER CA C 61.100 . 1 34 4 4 SER CB C 64.500 . 1 35 4 4 SER N N 118.297 . 1 36 5 5 GLY H H 9.100 . 1 37 5 5 GLY HA2 H 3.890 . 1 38 5 5 GLY HA3 H 4.010 . 1 39 5 5 GLY C C 169.900 . 1 40 5 5 GLY CA C 45.300 . 1 41 5 5 GLY N N 113.032 . 1 42 6 6 LYS H H 8.217 . 1 43 6 6 LYS HA H 5.080 . 1 44 6 6 LYS HB2 H 1.610 . 1 45 6 6 LYS HB3 H 1.610 . 1 46 6 6 LYS HD2 H 1.610 . 1 47 6 6 LYS HE2 H 2.860 . 1 48 6 6 LYS HG2 H 1.190 . 1 49 6 6 LYS HG3 H 1.350 . 1 50 6 6 LYS C C 174.300 . 1 51 6 6 LYS CA C 55.600 . 1 52 6 6 LYS CB C 34.900 . 1 53 6 6 LYS CD C 29.800 . 1 54 6 6 LYS CE C 42.100 . 1 55 6 6 LYS CG C 26.100 . 1 56 6 6 LYS N N 123.214 . 1 57 7 7 TYR H H 9.193 . 1 58 7 7 TYR HA H 5.200 . 1 59 7 7 TYR HB2 H 2.510 . 1 60 7 7 TYR HB3 H 2.680 . 1 61 7 7 TYR HD1 H 6.738 . 1 62 7 7 TYR HD2 H 6.738 . 1 63 7 7 TYR HE1 H 6.583 . 1 64 7 7 TYR HE2 H 6.583 . 1 65 7 7 TYR C C 174.100 . 1 66 7 7 TYR CA C 56.300 . 1 67 7 7 TYR CB C 42.100 . 1 68 7 7 TYR CD1 C 133.768 . 1 69 7 7 TYR CD2 C 133.768 . 1 70 7 7 TYR CE1 C 117.702 . 1 71 7 7 TYR CE2 C 117.702 . 1 72 7 7 TYR CG C 131.250 . 1 73 7 7 TYR CZ C 158.081 . 1 74 7 7 TYR N N 123.731 . 1 75 8 8 GLN H H 9.027 . 1 76 8 8 GLN HA H 5.400 . 1 77 8 8 GLN HB2 H 1.870 . 1 78 8 8 GLN HB3 H 1.970 . 1 79 8 8 GLN HE21 H 7.300 . 0 80 8 8 GLN HE22 H 6.850 . 0 81 8 8 GLN HG2 H 2.280 . 1 82 8 8 GLN HG3 H 2.340 . 1 83 8 8 GLN C C 176.300 . 1 84 8 8 GLN CA C 54.000 . 1 85 8 8 GLN CB C 33.500 . 1 86 8 8 GLN CD C 180.200 . 1 87 8 8 GLN CG C 34.200 . 1 88 8 8 GLN N N 123.166 . 1 89 8 8 GLN NE2 N 113.800 . 1 90 9 9 VAL H H 8.475 . 1 91 9 9 VAL HA H 4.140 . 1 92 9 9 VAL HB H 1.880 . 1 93 9 9 VAL HG1 H 0.860 . 0 94 9 9 VAL HG2 H 0.960 . 0 95 9 9 VAL C C 175.100 . 1 96 9 9 VAL CA C 64.700 . 1 97 9 9 VAL CB C 33.000 . 1 98 9 9 VAL CG1 C 21.200 . 0 99 9 9 VAL CG2 C 22.400 . 0 100 9 9 VAL N N 132.664 . 1 101 10 10 GLN H H 10.059 . 1 102 10 10 GLN HA H 4.490 . 1 103 10 10 GLN HB2 H 1.920 . 0 104 10 10 GLN HB3 H 2.170 . 0 105 10 10 GLN HE21 H 7.230 . 0 106 10 10 GLN HE22 H 7.150 . 0 107 10 10 GLN HG2 H 2.400 . 0 108 10 10 GLN HG3 H 2.400 . 0 109 10 10 GLN C C 176.300 . 1 110 10 10 GLN CA C 55.900 . 1 111 10 10 GLN CB C 31.800 . 1 112 10 10 GLN CD C 179.700 . 1 113 10 10 GLN CG C 34.600 . 1 114 10 10 GLN N N 128.162 . 1 115 10 10 GLN NE2 N 115.800 . 1 116 11 11 SER H H 8.072 . 1 117 11 11 SER HA H 4.740 . 1 118 11 11 SER HB2 H 3.790 . 0 119 11 11 SER HB3 H 3.850 . 0 120 11 11 SER C C 172.100 . 1 121 11 11 SER CA C 57.600 . 1 122 11 11 SER CB C 65.400 . 1 123 11 11 SER N N 114.413 . 1 124 12 12 GLN H H 8.530 . 1 125 12 12 GLN HA H 5.490 . 1 126 12 12 GLN HB2 H 2.260 . 0 127 12 12 GLN HB3 H 2.360 . 0 128 12 12 GLN HE21 H 7.790 . 0 129 12 12 GLN HE22 H 6.410 . 0 130 12 12 GLN HG2 H 2.520 . 0 131 12 12 GLN HG3 H 2.520 . 0 132 12 12 GLN C C 174.700 . 1 133 12 12 GLN CA C 54.800 . 1 134 12 12 GLN CB C 34.100 . 1 135 12 12 GLN CD C 180.600 . 1 136 12 12 GLN CG C 35.100 . 1 137 12 12 GLN N N 119.707 . 1 138 12 12 GLN NE2 N 115.100 . 1 139 13 13 GLU H H 9.049 . 1 140 13 13 GLU HA H 4.850 . 1 141 13 13 GLU HB2 H 2.900 . 0 142 13 13 GLU HB3 H 2.130 . 0 143 13 13 GLU HG2 H 2.280 . 0 144 13 13 GLU HG3 H 2.280 . 0 145 13 13 GLU C C 176.000 . 1 146 13 13 GLU CA C 55.500 . 1 147 13 13 GLU CB C 34.000 . 1 148 13 13 GLU CD C 183.600 . 1 149 13 13 GLU CG C 36.300 . 1 150 13 13 GLU N N 122.649 . 1 151 14 14 ASN H H 9.292 . 1 152 14 14 ASN HA H 4.510 . 1 153 14 14 ASN HB2 H 3.130 . 0 154 14 14 ASN HB3 H 3.760 . 0 155 14 14 ASN HD21 H 7.910 . 0 156 14 14 ASN HD22 H 7.090 . 0 157 14 14 ASN C C 174.400 . 1 158 14 14 ASN CA C 54.900 . 1 159 14 14 ASN CB C 36.300 . 1 160 14 14 ASN CG C 178.400 . 1 161 14 14 ASN N N 119.031 . 1 162 14 14 ASN ND2 N 116.000 . 1 163 15 15 PHE H H 8.542 . 1 164 15 15 PHE HA H 3.570 . 1 165 15 15 PHE HB2 H 3.010 . 0 166 15 15 PHE HD1 H 7.005 . 0 167 15 15 PHE HD2 H 7.005 . 0 168 15 15 PHE HE1 H 6.760 . 0 169 15 15 PHE HE2 H 6.760 . 0 170 15 15 PHE C C 176.300 . 1 171 15 15 PHE CA C 62.500 . 1 172 15 15 PHE CB C 40.500 . 1 173 15 15 PHE CD1 C 132.284 . 0 174 15 15 PHE CD2 C 132.284 . 0 175 15 15 PHE CG C 138.786 . 1 176 15 15 PHE N N 120.742 . 1 177 16 16 GLU H H 9.575 . 1 178 16 16 GLU HA H 3.730 . 1 179 16 16 GLU HB2 H 2.160 . 0 180 16 16 GLU HG2 H 2.270 . 0 181 16 16 GLU HG3 H 2.270 . 0 182 16 16 GLU C C 175.200 . 1 183 16 16 GLU CA C 62.400 . 1 184 16 16 GLU CB C 27.200 . 1 185 16 16 GLU CD C 183.100 . 1 186 16 16 GLU CG C 38.100 . 1 187 16 16 GLU N N 118.755 . 1 188 17 17 PRO HA H 4.210 . 1 189 17 17 PRO HB2 H 1.730 . 0 190 17 17 PRO HB3 H 2.320 . 0 191 17 17 PRO HD2 H 3.590 . 0 192 17 17 PRO HD3 H 3.690 . 0 193 17 17 PRO HG2 H 2.080 . 0 194 17 17 PRO C C 179.700 . 1 195 17 17 PRO CA C 65.700 . 1 196 17 17 PRO CB C 31.100 . 1 197 17 17 PRO CD C 40.700 . 1 198 17 17 PRO CG C 28.300 . 1 199 18 18 PHE H H 7.240 . 1 200 18 18 PHE HA H 3.880 . 1 201 18 18 PHE HB2 H 2.730 . 0 202 18 18 PHE HB3 H 2.940 . 0 203 18 18 PHE HD1 H 6.783 . 0 204 18 18 PHE HD2 H 6.783 . 0 205 18 18 PHE HE1 H 7.026 . 0 206 18 18 PHE HE2 H 7.026 . 0 207 18 18 PHE C C 176.100 . 1 208 18 18 PHE CA C 62.400 . 1 209 18 18 PHE CB C 40.400 . 1 210 18 18 PHE CD1 C 132.282 . 0 211 18 18 PHE CD2 C 132.282 . 0 212 18 18 PHE CE1 C 131.383 . 0 213 18 18 PHE CE2 C 131.383 . 0 214 18 18 PHE CG C 137.760 . 1 215 18 18 PHE N N 120.200 . 1 216 19 19 MET H H 8.228 . 1 217 19 19 MET HA H 3.990 . 1 218 19 19 MET HB2 H 1.350 . 0 219 19 19 MET HB3 H 1.560 . 0 220 19 19 MET HG2 H 1.490 . 0 221 19 19 MET HG3 H 1.760 . 0 222 19 19 MET C C 179.500 . 1 223 19 19 MET CA C 56.700 . 1 224 19 19 MET CB C 31.600 . 1 225 19 19 MET CG C 33.000 . 1 226 19 19 MET N N 117.830 . 1 227 20 20 LYS H H 8.305 . 1 228 20 20 LYS HA H 3.930 . 1 229 20 20 LYS HB2 H 1.740 . 0 230 20 20 LYS HD2 H 1.610 . 0 231 20 20 LYS HE2 H 2.900 . 0 232 20 20 LYS HG2 H 1.320 . 0 233 20 20 LYS HG3 H 1.460 . 0 234 20 20 LYS C C 180.700 . 1 235 20 20 LYS CA C 59.600 . 1 236 20 20 LYS CB C 32.500 . 1 237 20 20 LYS CD C 29.300 . 1 238 20 20 LYS CE C 42.300 . 1 239 20 20 LYS CG C 25.700 . 1 240 20 20 LYS N N 122.202 . 1 241 21 21 ALA H H 7.560 . 1 242 21 21 ALA HA H 4.000 . 1 243 21 21 ALA HB H 1.290 . 0 244 21 21 ALA C C 179.500 . 1 245 21 21 ALA CA C 54.900 . 1 246 21 21 ALA CB C 18.000 . 1 247 21 21 ALA N N 125.700 . 1 248 22 22 MET H H 7.480 . 1 249 22 22 MET HA H 4.160 . 1 250 22 22 MET HB2 H 2.080 . 0 251 22 22 MET HB3 H 2.160 . 0 252 22 22 MET HG2 H 1.830 . 0 253 22 22 MET HG3 H 1.880 . 0 254 22 22 MET C C 176.500 . 1 255 22 22 MET CA C 55.400 . 1 256 22 22 MET CB C 32.400 . 1 257 22 22 MET CG C 32.600 . 1 258 22 22 MET N N 117.200 . 1 259 23 23 GLY H H 7.610 . 1 260 23 23 GLY HA2 H 3.660 . 0 261 23 23 GLY HA3 H 4.090 . 0 262 23 23 GLY C C 175.200 . 1 263 23 23 GLY CA C 45.400 . 1 264 23 23 GLY N N 108.400 . 1 265 24 24 LEU H H 7.580 . 1 266 24 24 LEU HA H 4.300 . 1 267 24 24 LEU HB2 H 1.130 . 0 268 24 24 LEU HB3 H 1.380 . 0 269 24 24 LEU HD1 H 0.810 . 0 270 24 24 LEU HD2 H 0.710 . 0 271 24 24 LEU HG H 1.630 . 1 272 24 24 LEU C C 174.200 . 1 273 24 24 LEU CA C 53.800 . 1 274 24 24 LEU CB C 42.200 . 1 275 24 24 LEU CD1 C 25.400 . 0 276 24 24 LEU CD2 C 24.900 . 0 277 24 24 LEU CG C 27.900 . 1 278 24 24 LEU N N 125.600 . 1 279 25 25 PRO HA H 4.410 . 1 280 25 25 PRO HB2 H 2.030 . 0 281 25 25 PRO HB3 H 2.450 . 0 282 25 25 PRO HD2 H 3.440 . 0 283 25 25 PRO HD3 H 3.990 . 0 284 25 25 PRO HG2 H 2.110 . 0 285 25 25 PRO HG3 H 2.110 . 0 286 25 25 PRO C C 177.900 . 1 287 25 25 PRO CA C 63.000 . 1 288 25 25 PRO CB C 33.000 . 1 289 25 25 PRO CD C 51.000 . 1 290 25 25 PRO CG C 28.100 . 1 291 26 26 GLU H H 8.768 . 1 292 26 26 GLU HA H 3.820 . 1 293 26 26 GLU HB2 H 2.060 . 0 294 26 26 GLU HG2 H 2.330 . 0 295 26 26 GLU HG3 H 2.330 . 0 296 26 26 GLU C C 178.200 . 1 297 26 26 GLU CA C 60.200 . 1 298 26 26 GLU CB C 30.000 . 1 299 26 26 GLU CD C 183.400 . 1 300 26 26 GLU CG C 36.500 . 1 301 26 26 GLU N N 124.706 . 1 302 27 27 ASP H H 8.886 . 1 303 27 27 ASP HA H 4.350 . 1 304 27 27 ASP HB2 H 2.600 . 0 305 27 27 ASP HB3 H 2.650 . 0 306 27 27 ASP C C 178.700 . 1 307 27 27 ASP CA C 57.100 . 1 308 27 27 ASP CB C 40.100 . 1 309 27 27 ASP CG C 179.700 . 1 310 27 27 ASP N N 118.492 . 1 311 28 28 LEU H H 7.180 . 1 312 28 28 LEU HA H 4.190 . 1 313 28 28 LEU HB2 H 1.460 . 0 314 28 28 LEU HB3 H 1.790 . 0 315 28 28 LEU HD1 H 0.910 . 0 316 28 28 LEU HD2 H 0.850 . 0 317 28 28 LEU HG H 1.720 . 1 318 28 28 LEU C C 179.200 . 1 319 28 28 LEU CA C 57.500 . 1 320 28 28 LEU CB C 42.000 . 1 321 28 28 LEU CD1 C 25.500 . 0 322 28 28 LEU CD2 C 23.800 . 0 323 28 28 LEU CG C 27.500 . 1 324 28 28 LEU N N 121.500 . 1 325 29 29 ILE H H 7.740 . 1 326 29 29 ILE HA H 3.490 . 1 327 29 29 ILE HB H 1.990 . 1 328 29 29 ILE HD1 H 0.650 . 0 329 29 29 ILE HG12 H 0.350 . 0 330 29 29 ILE HG13 H 1.650 . 0 331 29 29 ILE HG2 H 0.870 . 0 332 29 29 ILE C C 177.900 . 1 333 29 29 ILE CA C 66.600 . 1 334 29 29 ILE CB C 38.000 . 1 335 29 29 ILE CD1 C 13.600 . 1 336 29 29 ILE CG1 C 29.900 . 0 337 29 29 ILE CG2 C 17.700 . 0 338 29 29 ILE N N 122.400 . 1 339 30 30 GLN H H 8.081 . 1 340 30 30 GLN HA H 3.930 . 1 341 30 30 GLN HB2 H 2.160 . 0 342 30 30 GLN HB3 H 2.160 . 0 343 30 30 GLN HE21 H 7.700 . 0 344 30 30 GLN HE22 H 6.950 . 0 345 30 30 GLN HG2 H 2.170 . 0 346 30 30 GLN HG3 H 2.500 . 0 347 30 30 GLN C C 178.900 . 1 348 30 30 GLN CA C 58.900 . 1 349 30 30 GLN CB C 28.200 . 1 350 30 30 GLN CD C 180.300 . 1 351 30 30 GLN CG C 33.700 . 1 352 30 30 GLN N N 118.301 . 1 353 30 30 GLN NE2 N 115.800 . 1 354 31 31 LYS H H 7.630 . 1 355 31 31 LYS HA H 4.190 . 1 356 31 31 LYS HB2 H 1.720 . 0 357 31 31 LYS HB3 H 1.850 . 0 358 31 31 LYS HD2 H 1.620 . 0 359 31 31 LYS HD3 H 1.720 . 0 360 31 31 LYS HE2 H 2.980 . 0 361 31 31 LYS HG2 H 1.530 . 0 362 31 31 LYS HG3 H 1.700 . 0 363 31 31 LYS C C 179.100 . 1 364 31 31 LYS CA C 59.100 . 1 365 31 31 LYS CB C 33.800 . 1 366 31 31 LYS CD C 29.600 . 1 367 31 31 LYS CE C 42.600 . 1 368 31 31 LYS CG C 26.100 . 1 369 31 31 LYS N N 118.900 . 1 370 32 32 GLY H H 8.430 . 1 371 32 32 GLY HA2 H 3.600 . 0 372 32 32 GLY HA3 H 3.980 . 0 373 32 32 GLY C C 175.200 . 1 374 32 32 GLY CA C 46.900 . 1 375 32 32 GLY N N 106.967 . 1 376 33 33 LYS H H 7.710 . 1 377 33 33 LYS HA H 3.330 . 1 378 33 33 LYS HB2 H 1.850 . 0 379 33 33 LYS HD2 H 1.690 . 0 380 33 33 LYS HD3 H 1.690 . 0 381 33 33 LYS HG2 H 1.440 . 0 382 33 33 LYS HG3 H 1.530 . 0 383 33 33 LYS C C 176.500 . 1 384 33 33 LYS CA C 59.000 . 1 385 33 33 LYS CB C 32.500 . 1 386 33 33 LYS CD C 30.100 . 1 387 33 33 LYS CE C 42.500 . 1 388 33 33 LYS CG C 24.100 . 1 389 33 33 LYS N N 121.300 . 1 390 34 34 ASP H H 7.530 . 1 391 34 34 ASP HA H 4.800 . 1 392 34 34 ASP HB2 H 2.500 . 0 393 34 34 ASP HB3 H 2.850 . 0 394 34 34 ASP C C 176.200 . 1 395 34 34 ASP CA C 54.800 . 1 396 34 34 ASP CB C 42.300 . 1 397 34 34 ASP CG C 180.200 . 1 398 34 34 ASP N N 119.100 . 1 399 35 35 ILE H H 7.380 . 1 400 35 35 ILE HA H 3.980 . 1 401 35 35 ILE HB H 1.860 . 1 402 35 35 ILE HD1 H 0.870 . 0 403 35 35 ILE HG12 H 1.110 . 0 404 35 35 ILE HG13 H 1.740 . 0 405 35 35 ILE HG2 H 0.620 . 0 406 35 35 ILE C C 176.000 . 1 407 35 35 ILE CA C 61.500 . 1 408 35 35 ILE CB C 39.600 . 1 409 35 35 ILE CD1 C 14.100 . 1 410 35 35 ILE CG1 C 27.900 . 0 411 35 35 ILE CG2 C 17.400 . 0 412 35 35 ILE N N 122.700 . 1 413 36 36 LYS H H 8.666 . 1 414 36 36 LYS HA H 4.260 . 1 415 36 36 LYS HB2 H 1.800 . 0 416 36 36 LYS HD2 H 1.620 . 0 417 36 36 LYS HE2 H 2.990 . 0 418 36 36 LYS HG2 H 1.300 . 0 419 36 36 LYS HG3 H 1.480 . 0 420 36 36 LYS C C 175.900 . 1 421 36 36 LYS CA C 55.100 . 1 422 36 36 LYS CB C 30.800 . 1 423 36 36 LYS CD C 29.200 . 1 424 36 36 LYS CE C 42.100 . 1 425 36 36 LYS CG C 24.800 . 1 426 36 36 LYS N N 130.394 . 1 427 37 37 GLY H H 7.060 . 1 428 37 37 GLY HA2 H 3.020 . 0 429 37 37 GLY HA3 H 3.510 . 0 430 37 37 GLY C C 171.700 . 1 431 37 37 GLY CA C 45.400 . 1 432 37 37 GLY N N 113.700 . 1 433 38 38 VAL H H 7.790 . 1 434 38 38 VAL HA H 5.040 . 1 435 38 38 VAL HB H 1.910 . 1 436 38 38 VAL HG1 H 0.950 . 0 437 38 38 VAL HG2 H 0.950 . 0 438 38 38 VAL C C 176.000 . 1 439 38 38 VAL CA C 61.000 . 1 440 38 38 VAL CB C 35.800 . 1 441 38 38 VAL CG1 C 21.000 . 0 442 38 38 VAL CG2 C 21.000 . 0 443 38 38 VAL N N 120.900 . 1 444 39 39 SER H H 9.317 . 1 445 39 39 SER HA H 5.530 . 1 446 39 39 SER HB2 H 3.650 . 0 447 39 39 SER HB3 H 3.770 . 0 448 39 39 SER C C 172.800 . 1 449 39 39 SER CA C 56.900 . 1 450 39 39 SER CB C 65.600 . 1 451 39 39 SER N N 126.472 . 1 452 40 40 GLU H H 9.511 . 1 453 40 40 GLU HA H 5.330 . 1 454 40 40 GLU HB2 H 1.890 . 0 455 40 40 GLU HB3 H 2.140 . 0 456 40 40 GLU HG2 H 2.080 . 0 457 40 40 GLU HG3 H 2.190 . 0 458 40 40 GLU C C 175.300 . 1 459 40 40 GLU CA C 55.300 . 1 460 40 40 GLU CB C 33.000 . 1 461 40 40 GLU CD C 182.800 . 1 462 40 40 GLU CG C 37.200 . 1 463 40 40 GLU N N 126.665 . 1 464 41 41 ILE H H 9.640 . 1 465 41 41 ILE HA H 5.120 . 1 466 41 41 ILE HB H 2.220 . 1 467 41 41 ILE HD1 H 0.890 . 0 468 41 41 ILE HG12 H 0.970 . 0 469 41 41 ILE HG13 H 1.730 . 0 470 41 41 ILE HG2 H 0.790 . 0 471 41 41 ILE C C 176.700 . 1 472 41 41 ILE CA C 60.500 . 1 473 41 41 ILE CB C 41.100 . 1 474 41 41 ILE CD1 C 14.300 . 1 475 41 41 ILE CG1 C 28.400 . 0 476 41 41 ILE CG2 C 18.200 . 0 477 41 41 ILE N N 128.238 . 1 478 42 42 VAL H H 9.345 . 1 479 42 42 VAL HA H 4.210 . 1 480 42 42 VAL HB H 2.050 . 1 481 42 42 VAL HG1 H 0.930 . 0 482 42 42 VAL HG2 H 0.980 . 0 483 42 42 VAL C C 173.900 . 1 484 42 42 VAL CA C 63.400 . 1 485 42 42 VAL CB C 33.500 . 1 486 42 42 VAL CG1 C 21.000 . 0 487 42 42 VAL CG2 C 20.600 . 0 488 42 42 VAL N N 132.409 . 1 489 43 43 HIS H H 8.956 . 1 490 43 43 HIS HA H 5.520 . 1 491 43 43 HIS HB2 H 2.520 . 0 492 43 43 HIS HB3 H 3.310 . 0 493 43 43 HIS HD1 H 6.580 . 0 494 43 43 HIS HD2 H 6.654 . 0 495 43 43 HIS C C 174.100 . 1 496 43 43 HIS CA C 53.100 . 1 497 43 43 HIS CB C 34.700 . 1 498 43 43 HIS CD2 C 116.282 . 1 499 43 43 HIS CG C 135.970 . 1 500 43 43 HIS N N 133.809 . 1 501 44 44 GLU H H 8.927 . 1 502 44 44 GLU HA H 4.330 . 1 503 44 44 GLU HB2 H 1.820 . 0 504 44 44 GLU HB3 H 1.890 . 0 505 44 44 GLU HG2 H 2.040 . 0 506 44 44 GLU HG3 H 2.040 . 0 507 44 44 GLU C C 175.900 . 1 508 44 44 GLU CA C 54.900 . 1 509 44 44 GLU CB C 32.000 . 1 510 44 44 GLU CD C 184.000 . 1 511 44 44 GLU CG C 36.200 . 1 512 44 44 GLU N N 132.610 . 1 513 45 45 GLY H H 8.600 . 1 514 45 45 GLY HA2 H 3.530 . 0 515 45 45 GLY HA3 H 3.970 . 0 516 45 45 GLY C C 174.400 . 1 517 45 45 GLY CA C 47.500 . 1 518 45 45 GLY N N 119.400 . 1 519 46 46 LYS H H 8.870 . 1 520 46 46 LYS HA H 4.570 . 1 521 46 46 LYS HB2 H 1.850 . 0 522 46 46 LYS HB3 H 2.240 . 0 523 46 46 LYS HD2 H 1.770 . 0 524 46 46 LYS HD3 H 1.770 . 0 525 46 46 LYS HE2 H 3.020 . 0 526 46 46 LYS HG2 H 1.530 . 0 527 46 46 LYS HG3 H 1.590 . 0 528 46 46 LYS C C 175.000 . 1 529 46 46 LYS CA C 56.400 . 1 530 46 46 LYS CB C 33.700 . 1 531 46 46 LYS CD C 29.800 . 1 532 46 46 LYS CE C 42.300 . 1 533 46 46 LYS CG C 25.800 . 1 534 46 46 LYS N N 127.700 . 1 535 47 47 LYS H H 8.193 . 1 536 47 47 LYS HA H 4.760 . 1 537 47 47 LYS HB2 H 1.900 . 0 538 47 47 LYS HD2 H 1.650 . 0 539 47 47 LYS HE2 H 2.900 . 0 540 47 47 LYS HG2 H 1.410 . 0 541 47 47 LYS HG3 H 1.410 . 0 542 47 47 LYS C C 175.500 . 1 543 47 47 LYS CA C 56.200 . 1 544 47 47 LYS CB C 33.900 . 1 545 47 47 LYS CD C 29.200 . 1 546 47 47 LYS CE C 42.100 . 1 547 47 47 LYS CG C 25.200 . 1 548 47 47 LYS N N 122.630 . 1 549 48 48 VAL H H 8.730 . 1 550 48 48 VAL HA H 4.510 . 1 551 48 48 VAL HB H 0.540 . 1 552 48 48 VAL HG1 H 0.390 . 0 553 48 48 VAL HG2 H 0.460 . 0 554 48 48 VAL C C 174.100 . 1 555 48 48 VAL CA C 61.300 . 1 556 48 48 VAL CB C 33.900 . 1 557 48 48 VAL CG1 C 22.000 . 0 558 48 48 VAL CG2 C 21.400 . 0 559 48 48 VAL N N 127.000 . 1 560 49 49 LYS H H 8.727 . 1 561 49 49 LYS HA H 4.770 . 1 562 49 49 LYS HB2 H 1.810 . 0 563 49 49 LYS HD2 H 1.640 . 0 564 49 49 LYS HE2 H 2.880 . 0 565 49 49 LYS HG2 H 1.330 . 0 566 49 49 LYS HG3 H 1.450 . 0 567 49 49 LYS C C 174.700 . 1 568 49 49 LYS CA C 55.300 . 1 569 49 49 LYS CB C 34.700 . 1 570 49 49 LYS CD C 30.000 . 1 571 49 49 LYS CE C 42.200 . 1 572 49 49 LYS CG C 25.300 . 1 573 49 49 LYS N N 127.165 . 1 574 50 50 LEU H H 9.037 . 1 575 50 50 LEU HA H 5.450 . 1 576 50 50 LEU HB2 H 1.160 . 0 577 50 50 LEU HB3 H 1.730 . 0 578 50 50 LEU HD1 H 0.930 . 0 579 50 50 LEU HD2 H 0.920 . 0 580 50 50 LEU HG H 1.530 . 1 581 50 50 LEU C C 175.500 . 1 582 50 50 LEU CA C 53.400 . 1 583 50 50 LEU CB C 46.800 . 1 584 50 50 LEU CD1 C 27.500 . 0 585 50 50 LEU CD2 C 24.000 . 0 586 50 50 LEU CG C 28.100 . 1 587 50 50 LEU N N 128.940 . 1 588 51 51 THR H H 9.525 . 1 589 51 51 THR HA H 5.230 . 1 590 51 51 THR HB H 4.050 . 1 591 51 51 THR HG2 H 1.120 . 0 592 51 51 THR C C 173.800 . 1 593 51 51 THR CA C 62.400 . 1 594 51 51 THR CB C 70.900 . 1 595 51 51 THR CG2 C 22.600 . 1 596 51 51 THR N N 129.173 . 1 597 52 52 ILE H H 9.095 . 1 598 52 52 ILE HA H 4.940 . 1 599 52 52 ILE HB H 1.780 . 1 600 52 52 ILE HD1 H 0.870 . 0 601 52 52 ILE HG12 H 1.410 . 0 602 52 52 ILE HG13 H 1.530 . 0 603 52 52 ILE HG2 H 1.040 . 0 604 52 52 ILE C C 174.500 . 1 605 52 52 ILE CA C 60.600 . 1 606 52 52 ILE CB C 41.200 . 1 607 52 52 ILE CD1 C 14.400 . 1 608 52 52 ILE CG1 C 27.200 . 0 609 52 52 ILE CG2 C 17.300 . 0 610 52 52 ILE N N 132.275 . 1 611 53 53 THR H H 9.163 . 1 612 53 53 THR HA H 5.110 . 1 613 53 53 THR HB H 3.960 . 1 614 53 53 THR HG2 H 1.150 . 0 615 53 53 THR C C 174.000 . 1 616 53 53 THR CA C 62.700 . 1 617 53 53 THR CB C 70.500 . 1 618 53 53 THR CG2 C 21.500 . 1 619 53 53 THR N N 125.688 . 1 620 54 54 TYR H H 9.393 . 1 621 54 54 TYR HA H 4.460 . 1 622 54 54 TYR HB2 H 2.760 . 0 623 54 54 TYR HB3 H 2.910 . 0 624 54 54 TYR HD1 H 6.918 . 0 625 54 54 TYR HD2 H 6.918 . 0 626 54 54 TYR HE1 H 6.838 . 0 627 54 54 TYR HE2 H 6.838 . 0 628 54 54 TYR C C 175.200 . 1 629 54 54 TYR CA C 57.300 . 1 630 54 54 TYR CB C 41.700 . 1 631 54 54 TYR CE1 C 118.568 . 0 632 54 54 TYR CE2 C 118.568 . 0 633 54 54 TYR CZ C 157.876 . 1 634 54 54 TYR N N 133.486 . 1 635 55 55 GLY H H 8.743 . 1 636 55 55 GLY HA2 H 3.590 . 0 637 55 55 GLY HA3 H 4.050 . 0 638 55 55 GLY C C 174.800 . 1 639 55 55 GLY CA C 47.300 . 1 640 55 55 GLY N N 115.454 . 1 641 56 56 SER H H 9.080 . 1 642 56 56 SER HA H 4.340 . 1 643 56 56 SER HB2 H 3.900 . 0 644 56 56 SER HB3 H 4.040 . 0 645 56 56 SER C C 174.200 . 1 646 56 56 SER CA C 59.200 . 1 647 56 56 SER CB C 64.100 . 1 648 56 56 SER N N 124.900 . 1 649 57 57 LYS H H 8.313 . 1 650 57 57 LYS HA H 4.500 . 1 651 57 57 LYS HB2 H 1.860 . 0 652 57 57 LYS HB3 H 2.150 . 0 653 57 57 LYS HD2 H 1.710 . 0 654 57 57 LYS HE2 H 2.990 . 0 655 57 57 LYS HG2 H 1.380 . 0 656 57 57 LYS HG3 H 1.380 . 0 657 57 57 LYS C C 173.700 . 1 658 57 57 LYS CA C 55.600 . 1 659 57 57 LYS CB C 33.100 . 1 660 57 57 LYS CD C 28.800 . 1 661 57 57 LYS CE C 42.400 . 1 662 57 57 LYS CG C 25.100 . 1 663 57 57 LYS N N 127.762 . 1 664 58 58 VAL H H 8.313 . 1 665 58 58 VAL HA H 5.000 . 1 666 58 58 VAL HB H 1.860 . 1 667 58 58 VAL HG1 H 0.670 . 0 668 58 58 VAL HG2 H 0.890 . 0 669 58 58 VAL C C 176.200 . 1 670 58 58 VAL CA C 61.100 . 1 671 58 58 VAL CB C 34.500 . 1 672 58 58 VAL CG1 C 21.400 . 0 673 58 58 VAL CG2 C 21.400 . 0 674 58 58 VAL N N 128.829 . 1 675 59 59 ILE H H 9.233 . 1 676 59 59 ILE HA H 4.430 . 1 677 59 59 ILE HB H 1.700 . 1 678 59 59 ILE HD1 H 0.810 . 0 679 59 59 ILE HG12 H 1.470 . 0 680 59 59 ILE HG13 H 1.550 . 0 681 59 59 ILE HG2 H 0.720 . 0 682 59 59 ILE C C 175.700 . 1 683 59 59 ILE CA C 60.500 . 1 684 59 59 ILE CB C 41.100 . 1 685 59 59 ILE CD1 C 14.300 . 1 686 59 59 ILE CG1 C 28.400 . 0 687 59 59 ILE CG2 C 18.500 . 0 688 59 59 ILE N N 129.008 . 1 689 60 60 HIS H H 9.350 . 1 690 60 60 HIS HA H 5.380 . 1 691 60 60 HIS HB2 H 2.940 . 0 692 60 60 HIS HB3 H 3.140 . 0 693 60 60 HIS HD1 H 6.990 . 0 694 60 60 HIS HD2 H 7.069 . 0 695 60 60 HIS C C 173.600 . 1 696 60 60 HIS CA C 55.900 . 1 697 60 60 HIS CB C 32.800 . 1 698 60 60 HIS CD2 C 120.859 . 1 699 60 60 HIS CG C 132.020 . 1 700 60 60 HIS N N 132.400 . 1 701 61 61 ASN H H 8.663 . 1 702 61 61 ASN HA H 5.170 . 1 703 61 61 ASN HB2 H 2.490 . 0 704 61 61 ASN HB3 H 2.490 . 0 705 61 61 ASN HD21 H 7.830 . 0 706 61 61 ASN HD22 H 7.610 . 0 707 61 61 ASN C C 173.200 . 1 708 61 61 ASN CA C 53.400 . 1 709 61 61 ASN CB C 45.600 . 1 710 61 61 ASN CG C 177.200 . 1 711 61 61 ASN N N 123.916 . 1 712 61 61 ASN ND2 N 116.000 . 1 713 62 62 GLU H H 8.945 . 1 714 62 62 GLU HA H 5.210 . 1 715 62 62 GLU HB2 H 2.000 . 0 716 62 62 GLU HB3 H 2.000 . 0 717 62 62 GLU HG2 H 2.110 . 0 718 62 62 GLU HG3 H 2.190 . 0 719 62 62 GLU C C 174.100 . 1 720 62 62 GLU CA C 55.500 . 1 721 62 62 GLU CB C 32.900 . 1 722 62 62 GLU CD C 183.600 . 1 723 62 62 GLU CG C 36.400 . 1 724 62 62 GLU N N 122.407 . 1 725 63 63 PHE H H 8.617 . 1 726 63 63 PHE HA H 5.100 . 1 727 63 63 PHE HB2 H 3.220 . 0 728 63 63 PHE HD1 H 6.648 . 0 729 63 63 PHE HD2 H 6.648 . 0 730 63 63 PHE HE1 H 6.866 . 0 731 63 63 PHE HE2 H 6.866 . 0 732 63 63 PHE C C 173.000 . 1 733 63 63 PHE CA C 56.100 . 1 734 63 63 PHE CB C 41.300 . 1 735 63 63 PHE CD1 C 132.597 . 0 736 63 63 PHE CD2 C 132.597 . 0 737 63 63 PHE CE1 C 130.810 . 0 738 63 63 PHE CE2 C 130.810 . 0 739 63 63 PHE CG C 138.640 . 1 740 63 63 PHE CZ C 128.712 . 1 741 63 63 PHE N N 120.859 . 1 742 64 64 THR H H 8.601 . 1 743 64 64 THR HA H 5.010 . 1 744 64 64 THR HB H 3.900 . 1 745 64 64 THR HG2 H 1.210 . 0 746 64 64 THR C C 175.500 . 1 747 64 64 THR CA C 61.300 . 1 748 64 64 THR CB C 70.400 . 1 749 64 64 THR CG2 C 22.000 . 1 750 64 64 THR N N 119.817 . 1 751 65 65 LEU H H 9.624 . 1 752 65 65 LEU HA H 4.420 . 1 753 65 65 LEU HB2 H 1.600 . 0 754 65 65 LEU HB3 H 1.900 . 0 755 65 65 LEU HD1 H 0.980 . 0 756 65 65 LEU HD2 H 0.940 . 0 757 65 65 LEU HG H 1.840 . 1 758 65 65 LEU C C 178.200 . 1 759 65 65 LEU CA C 57.000 . 1 760 65 65 LEU CB C 42.400 . 1 761 65 65 LEU CD1 C 26.300 . 0 762 65 65 LEU CD2 C 26.300 . 0 763 65 65 LEU CG C 27.700 . 1 764 65 65 LEU N N 131.787 . 1 765 66 66 GLY H H 9.491 . 1 766 66 66 GLY HA2 H 3.450 . 0 767 66 66 GLY HA3 H 4.400 . 0 768 66 66 GLY C C 173.600 . 1 769 66 66 GLY CA C 45.800 . 1 770 66 66 GLY N N 111.163 . 1 771 67 67 GLU H H 7.890 . 1 772 67 67 GLU HA H 4.800 . 1 773 67 67 GLU HB2 H 1.880 . 0 774 67 67 GLU HB3 H 2.170 . 0 775 67 67 GLU HG2 H 2.180 . 0 776 67 67 GLU HG3 H 2.230 . 0 777 67 67 GLU C C 175.400 . 1 778 67 67 GLU CA C 54.400 . 1 779 67 67 GLU CB C 32.600 . 1 780 67 67 GLU CD C 183.400 . 1 781 67 67 GLU CG C 36.100 . 1 782 67 67 GLU N N 121.200 . 1 783 68 68 GLU H H 8.941 . 1 784 68 68 GLU HA H 4.450 . 1 785 68 68 GLU HB2 H 1.940 . 0 786 68 68 GLU HB3 H 2.020 . 0 787 68 68 GLU HG2 H 2.120 . 0 788 68 68 GLU HG3 H 2.120 . 0 789 68 68 GLU C C 176.000 . 1 790 68 68 GLU CA C 58.000 . 1 791 68 68 GLU CB C 30.500 . 1 792 68 68 GLU CD C 183.600 . 1 793 68 68 GLU CG C 37.800 . 1 794 68 68 GLU N N 126.652 . 1 795 69 69 CYS H H 9.285 . 1 796 69 69 CYS HA H 5.140 . 1 797 69 69 CYS HB2 H 3.070 . 0 798 69 69 CYS HB3 H 3.440 . 0 799 69 69 CYS C C 172.500 . 1 800 69 69 CYS CA C 56.700 . 1 801 69 69 CYS CB C 32.600 . 1 802 69 69 CYS N N 126.587 . 1 803 70 70 GLU H H 8.410 . 1 804 70 70 GLU HA H 4.980 . 1 805 70 70 GLU HB2 H 1.890 . 0 806 70 70 GLU HG2 H 1.980 . 0 807 70 70 GLU HG3 H 2.160 . 0 808 70 70 GLU C C 175.600 . 1 809 70 70 GLU CA C 55.700 . 1 810 70 70 GLU CB C 32.100 . 1 811 70 70 GLU CD C 183.500 . 1 812 70 70 GLU CG C 38.100 . 1 813 70 70 GLU N N 121.768 . 1 814 71 71 LEU H H 9.084 . 1 815 71 71 LEU HA H 4.630 . 1 816 71 71 LEU HB2 H 0.830 . 0 817 71 71 LEU HB3 H 1.230 . 0 818 71 71 LEU HD1 H 0.170 . 0 819 71 71 LEU HD2 H 0.470 . 0 820 71 71 LEU HG H 1.390 . 1 821 71 71 LEU C C 175.400 . 1 822 71 71 LEU CA C 53.200 . 1 823 71 71 LEU CB C 44.400 . 1 824 71 71 LEU CD1 C 25.500 . 0 825 71 71 LEU CD2 C 23.400 . 0 826 71 71 LEU CG C 26.400 . 1 827 71 71 LEU N N 127.828 . 1 828 72 72 GLU H H 9.823 . 1 829 72 72 GLU HA H 4.820 . 1 830 72 72 GLU HB2 H 1.930 . 0 831 72 72 GLU HG2 H 2.080 . 0 832 72 72 GLU HG3 H 2.450 . 0 833 72 72 GLU C C 176.500 . 1 834 72 72 GLU CA C 55.600 . 1 835 72 72 GLU CB C 31.700 . 1 836 72 72 GLU CD C 183.400 . 1 837 72 72 GLU CG C 36.900 . 1 838 72 72 GLU N N 126.527 . 1 839 73 73 THR H H 8.254 . 1 840 73 73 THR HA H 4.500 . 1 841 73 73 THR HB H 4.540 . 1 842 73 73 THR HG2 H 1.040 . 0 843 73 73 THR C C 176.100 . 1 844 73 73 THR CA C 60.600 . 1 845 73 73 THR CB C 70.400 . 1 846 73 73 THR CG2 C 21.500 . 1 847 73 73 THR N N 113.715 . 1 848 74 74 MET H H 8.324 . 1 849 74 74 MET HA H 4.220 . 1 850 74 74 MET HB2 H 1.920 . 0 851 74 74 MET HB3 H 2.140 . 0 852 74 74 MET HG2 H 2.470 . 0 853 74 74 MET HG3 H 2.580 . 0 854 74 74 MET C C 175.500 . 1 855 74 74 MET CA C 59.100 . 1 856 74 74 MET CB C 31.000 . 1 857 74 74 MET CG C 33.300 . 1 858 74 74 MET N N 116.902 . 1 859 75 75 THR H H 7.830 . 1 860 75 75 THR HA H 4.340 . 1 861 75 75 THR HB H 4.550 . 1 862 75 75 THR HG2 H 1.090 . 0 863 75 75 THR C C 175.700 . 1 864 75 75 THR CA C 61.700 . 1 865 75 75 THR CB C 69.200 . 1 866 75 75 THR CG2 C 22.100 . 1 867 75 75 THR N N 108.900 . 1 868 76 76 GLY H H 7.610 . 1 869 76 76 GLY HA2 H 3.800 . 0 870 76 76 GLY HA3 H 4.360 . 0 871 76 76 GLY C C 173.800 . 1 872 76 76 GLY CA C 45.300 . 1 873 76 76 GLY N N 112.100 . 1 874 77 77 GLU H H 7.290 . 1 875 77 77 GLU HA H 4.190 . 1 876 77 77 GLU HB2 H 1.820 . 0 877 77 77 GLU HB3 H 1.820 . 0 878 77 77 GLU HG2 H 2.100 . 0 879 77 77 GLU HG3 H 2.230 . 0 880 77 77 GLU C C 175.500 . 1 881 77 77 GLU CA C 56.400 . 1 882 77 77 GLU CB C 30.700 . 1 883 77 77 GLU CD C 183.800 . 1 884 77 77 GLU CG C 36.300 . 1 885 77 77 GLU N N 123.200 . 1 886 78 78 LYS H H 8.486 . 1 887 78 78 LYS HA H 5.370 . 1 888 78 78 LYS HB2 H 1.510 . 0 889 78 78 LYS HB3 H 1.760 . 0 890 78 78 LYS HD2 H 1.610 . 0 891 78 78 LYS HE2 H 2.990 . 0 892 78 78 LYS HG2 H 1.310 . 0 893 78 78 LYS HG3 H 1.510 . 0 894 78 78 LYS C C 177.100 . 1 895 78 78 LYS CA C 54.800 . 1 896 78 78 LYS CB C 33.700 . 1 897 78 78 LYS CD C 29.100 . 1 898 78 78 LYS CE C 42.500 . 1 899 78 78 LYS CG C 25.400 . 1 900 78 78 LYS N N 125.684 . 1 901 79 79 VAL H H 9.054 . 1 902 79 79 VAL HA H 4.620 . 1 903 79 79 VAL HB H 2.030 . 1 904 79 79 VAL HG1 H 0.570 . 0 905 79 79 VAL HG2 H 0.790 . 0 906 79 79 VAL C C 174.300 . 1 907 79 79 VAL CA C 59.200 . 1 908 79 79 VAL CB C 35.000 . 1 909 79 79 VAL CG1 C 19.600 . 0 910 79 79 VAL CG2 C 21.800 . 0 911 79 79 VAL N N 121.194 . 1 912 80 80 LYS H H 8.350 . 1 913 80 80 LYS HA H 5.060 . 1 914 80 80 LYS HB2 H 1.690 . 0 915 80 80 LYS HB3 H 1.790 . 0 916 80 80 LYS HD2 H 1.630 . 0 917 80 80 LYS HE2 H 2.950 . 0 918 80 80 LYS HG2 H 1.350 . 0 919 80 80 LYS HG3 H 1.540 . 0 920 80 80 LYS C C 176.400 . 1 921 80 80 LYS CA C 55.800 . 1 922 80 80 LYS CB C 33.500 . 1 923 80 80 LYS CD C 29.200 . 1 924 80 80 LYS CE C 42.200 . 1 925 80 80 LYS CG C 25.600 . 1 926 80 80 LYS N N 125.300 . 1 927 81 81 ALA H H 8.871 . 1 928 81 81 ALA HA H 4.860 . 1 929 81 81 ALA HB H 1.180 . 0 930 81 81 ALA C C 175.100 . 1 931 81 81 ALA CA C 51.600 . 1 932 81 81 ALA CB C 23.500 . 1 933 81 81 ALA N N 127.735 . 1 934 82 82 VAL H H 8.387 . 1 935 82 82 VAL HA H 4.280 . 1 936 82 82 VAL HB H 1.920 . 1 937 82 82 VAL HG1 H 0.700 . 0 938 82 82 VAL HG2 H 0.850 . 0 939 82 82 VAL C C 176.100 . 1 940 82 82 VAL CA C 62.000 . 1 941 82 82 VAL CB C 34.400 . 1 942 82 82 VAL CG1 C 20.800 . 0 943 82 82 VAL CG2 C 21.000 . 0 944 82 82 VAL N N 120.285 . 1 945 83 83 VAL H H 9.756 . 1 946 83 83 VAL HA H 4.480 . 1 947 83 83 VAL HB H 1.660 . 1 948 83 83 VAL HG1 H -0.030 . 0 949 83 83 VAL HG2 H 0.630 . 0 950 83 83 VAL C C 175.100 . 1 951 83 83 VAL CA C 61.500 . 1 952 83 83 VAL CB C 31.900 . 1 953 83 83 VAL CG1 C 18.500 . 0 954 83 83 VAL CG2 C 22.000 . 0 955 83 83 VAL N N 136.413 . 1 956 84 84 LYS H H 8.869 . 1 957 84 84 LYS HA H 4.890 . 1 958 84 84 LYS HB2 H 1.780 . 0 959 84 84 LYS HD2 H 1.680 . 0 960 84 84 LYS HE2 H 2.940 . 0 961 84 84 LYS HG2 H 1.360 . 0 962 84 84 LYS C C 175.600 . 1 963 84 84 LYS CA C 54.800 . 1 964 84 84 LYS CB C 36.600 . 1 965 84 84 LYS CD C 29.700 . 1 966 84 84 LYS CE C 42.300 . 1 967 84 84 LYS CG C 25.400 . 1 968 84 84 LYS N N 127.299 . 1 969 85 85 MET H H 8.769 . 1 970 85 85 MET HA H 5.400 . 1 971 85 85 MET HB2 H 2.610 . 0 972 85 85 MET HB3 H 2.790 . 0 973 85 85 MET HG2 H 1.990 . 0 974 85 85 MET HG3 H 2.380 . 0 975 85 85 MET C C 177.300 . 1 976 85 85 MET CA C 54.300 . 1 977 85 85 MET CB C 32.600 . 1 978 85 85 MET CG C 32.400 . 1 979 85 85 MET N N 121.569 . 1 980 86 86 GLU H H 8.640 . 1 981 86 86 GLU HA H 4.570 . 1 982 86 86 GLU HB2 H 1.740 . 0 983 86 86 GLU HB3 H 1.870 . 0 984 86 86 GLU HG2 H 2.090 . 0 985 86 86 GLU HG3 H 2.130 . 0 986 86 86 GLU C C 175.700 . 1 987 86 86 GLU CA C 56.100 . 1 988 86 86 GLU CB C 32.400 . 1 989 86 86 GLU CD C 183.100 . 1 990 86 86 GLU CG C 36.800 . 1 991 86 86 GLU N N 128.500 . 1 992 87 87 GLY H H 8.470 . 1 993 87 87 GLY HA2 H 3.790 . 0 994 87 87 GLY HA3 H 4.190 . 0 995 87 87 GLY C C 174.000 . 1 996 87 87 GLY CA C 45.600 . 1 997 87 87 GLY N N 114.900 . 1 998 88 88 ASP H H 8.554 . 1 999 88 88 ASP HA H 4.720 . 1 1000 88 88 ASP HB2 H 2.700 . 0 1001 88 88 ASP HB3 H 2.700 . 0 1002 88 88 ASP C C 178.000 . 1 1003 88 88 ASP CA C 55.400 . 1 1004 88 88 ASP CB C 42.000 . 1 1005 88 88 ASP CG C 180.100 . 1 1006 88 88 ASP N N 120.256 . 1 1007 89 89 ASN H H 8.105 . 1 1008 89 89 ASN HA H 5.140 . 1 1009 89 89 ASN HB2 H 2.810 . 0 1010 89 89 ASN HB3 H 3.750 . 0 1011 89 89 ASN HD21 H 7.410 . 0 1012 89 89 ASN HD22 H 7.040 . 0 1013 89 89 ASN C C 174.000 . 1 1014 89 89 ASN CA C 53.400 . 1 1015 89 89 ASN CB C 40.100 . 1 1016 89 89 ASN CG C 179.100 . 1 1017 89 89 ASN N N 115.976 . 1 1018 89 89 ASN ND2 N 114.300 . 1 1019 90 90 LYS H H 7.350 . 1 1020 90 90 LYS HA H 5.970 . 1 1021 90 90 LYS HB2 H 1.590 . 0 1022 90 90 LYS HB3 H 2.130 . 0 1023 90 90 LYS HD2 H 1.500 . 0 1024 90 90 LYS HE2 H 2.850 . 0 1025 90 90 LYS HG2 H 1.180 . 0 1026 90 90 LYS HG3 H 1.470 . 0 1027 90 90 LYS C C 175.700 . 1 1028 90 90 LYS CA C 54.900 . 1 1029 90 90 LYS CB C 36.600 . 1 1030 90 90 LYS CD C 29.700 . 1 1031 90 90 LYS CE C 42.100 . 1 1032 90 90 LYS CG C 25.400 . 1 1033 90 90 LYS N N 119.400 . 1 1034 91 91 MET H H 8.877 . 1 1035 91 91 MET HA H 5.280 . 1 1036 91 91 MET HB2 H 1.660 . 0 1037 91 91 MET HE H 1.346 . 0 1038 91 91 MET HG2 H 2.100 . 0 1039 91 91 MET HG3 H 2.410 . 0 1040 91 91 MET C C 175.500 . 1 1041 91 91 MET CA C 55.100 . 1 1042 91 91 MET CB C 36.800 . 1 1043 91 91 MET CE C 17.708 . 1 1044 91 91 MET CG C 34.000 . 1 1045 91 91 MET N N 122.271 . 1 1046 92 92 VAL H H 9.351 . 1 1047 92 92 VAL HA H 5.280 . 1 1048 92 92 VAL HB H 2.000 . 1 1049 92 92 VAL HG1 H 0.910 . 0 1050 92 92 VAL HG2 H 0.940 . 0 1051 92 92 VAL C C 175.000 . 1 1052 92 92 VAL CA C 60.200 . 1 1053 92 92 VAL CB C 35.700 . 1 1054 92 92 VAL CG1 C 20.300 . 0 1055 92 92 VAL CG2 C 20.300 . 0 1056 92 92 VAL N N 123.716 . 1 1057 93 93 THR H H 8.797 . 1 1058 93 93 THR HA H 4.860 . 1 1059 93 93 THR HB H 4.060 . 1 1060 93 93 THR HG2 H 0.910 . 0 1061 93 93 THR C C 172.300 . 1 1062 93 93 THR CA C 61.900 . 1 1063 93 93 THR CB C 69.500 . 1 1064 93 93 THR CG2 C 18.800 . 1 1065 93 93 THR N N 121.208 . 1 1066 94 94 THR H H 8.023 . 1 1067 94 94 THR HA H 5.450 . 1 1068 94 94 THR HB H 4.060 . 1 1069 94 94 THR HG2 H 1.100 . 0 1070 94 94 THR C C 173.400 . 1 1071 94 94 THR CA C 59.800 . 1 1072 94 94 THR CB C 71.600 . 1 1073 94 94 THR CG2 C 20.400 . 1 1074 94 94 THR N N 119.413 . 1 1075 95 95 PHE H H 8.168 . 1 1076 95 95 PHE HA H 4.850 . 1 1077 95 95 PHE HB2 H 2.710 . 0 1078 95 95 PHE HB3 H 3.300 . 0 1079 95 95 PHE HD1 H 6.783 . 0 1080 95 95 PHE HD2 H 6.783 . 0 1081 95 95 PHE HE1 H 6.915 . 0 1082 95 95 PHE HE2 H 6.915 . 0 1083 95 95 PHE C C 173.500 . 1 1084 95 95 PHE CA C 56.600 . 1 1085 95 95 PHE CB C 40.100 . 1 1086 95 95 PHE CD1 C 133.013 . 0 1087 95 95 PHE CD2 C 133.013 . 0 1088 95 95 PHE CE1 C 129.976 . 0 1089 95 95 PHE CE2 C 129.976 . 0 1090 95 95 PHE CG C 138.190 . 1 1091 95 95 PHE CZ C 128.642 . 1 1092 95 95 PHE N N 123.469 . 1 1093 96 96 LYS H H 9.386 . 1 1094 96 96 LYS HA H 3.880 . 1 1095 96 96 LYS HB2 H 1.760 . 0 1096 96 96 LYS HB3 H 2.150 . 0 1097 96 96 LYS HD2 H 1.640 . 0 1098 96 96 LYS HD3 H 1.760 . 0 1099 96 96 LYS HE2 H 3.000 . 0 1100 96 96 LYS HG2 H 1.560 . 0 1101 96 96 LYS HG3 H 1.560 . 0 1102 96 96 LYS C C 175.600 . 1 1103 96 96 LYS CA C 57.200 . 1 1104 96 96 LYS CB C 30.800 . 1 1105 96 96 LYS CD C 29.100 . 1 1106 96 96 LYS CE C 41.900 . 1 1107 96 96 LYS CG C 25.800 . 1 1108 96 96 LYS N N 121.953 . 1 1109 97 97 GLY H H 8.387 . 1 1110 97 97 GLY HA2 H 3.540 . 0 1111 97 97 GLY HA3 H 4.000 . 0 1112 97 97 GLY C C 173.800 . 1 1113 97 97 GLY CA C 45.600 . 1 1114 97 97 GLY N N 106.864 . 1 1115 98 98 ILE H H 8.349 . 1 1116 98 98 ILE HA H 4.420 . 1 1117 98 98 ILE HB H 1.550 . 1 1118 98 98 ILE HD1 H 0.800 . 0 1119 98 98 ILE HG12 H 0.810 . 0 1120 98 98 ILE HG13 H 1.540 . 0 1121 98 98 ILE HG2 H 0.710 . 0 1122 98 98 ILE C C 176.100 . 1 1123 98 98 ILE CA C 60.600 . 1 1124 98 98 ILE CB C 39.500 . 1 1125 98 98 ILE CD1 C 15.100 . 1 1126 98 98 ILE CG1 C 29.200 . 0 1127 98 98 ILE CG2 C 18.400 . 0 1128 98 98 ILE N N 125.171 . 1 1129 99 99 LYS H H 8.222 . 1 1130 99 99 LYS HA H 4.860 . 1 1131 99 99 LYS HB2 H 1.690 . 0 1132 99 99 LYS HB3 H 1.840 . 0 1133 99 99 LYS HD2 H 1.610 . 0 1134 99 99 LYS HD3 H 1.610 . 0 1135 99 99 LYS HE2 H 2.810 . 0 1136 99 99 LYS HG2 H 1.280 . 0 1137 99 99 LYS HG3 H 1.350 . 0 1138 99 99 LYS C C 175.500 . 1 1139 99 99 LYS CA C 55.400 . 1 1140 99 99 LYS CB C 34.400 . 1 1141 99 99 LYS CD C 29.500 . 1 1142 99 99 LYS CE C 42.200 . 1 1143 99 99 LYS CG C 25.500 . 1 1144 99 99 LYS N N 128.735 . 1 1145 100 100 SER H H 8.940 . 1 1146 100 100 SER HA H 5.400 . 1 1147 100 100 SER HB2 H 3.330 . 0 1148 100 100 SER HB3 H 3.680 . 0 1149 100 100 SER C C 174.000 . 1 1150 100 100 SER CA C 56.800 . 1 1151 100 100 SER CB C 64.900 . 1 1152 100 100 SER N N 123.743 . 1 1153 101 101 VAL H H 8.819 . 1 1154 101 101 VAL HA H 4.630 . 1 1155 101 101 VAL HB H 2.010 . 1 1156 101 101 VAL HG1 H 0.840 . 0 1157 101 101 VAL HG2 H 0.940 . 0 1158 101 101 VAL C C 174.900 . 1 1159 101 101 VAL CA C 62.100 . 1 1160 101 101 VAL CB C 34.900 . 1 1161 101 101 VAL CG1 C 21.200 . 0 1162 101 101 VAL CG2 C 21.200 . 0 1163 101 101 VAL N N 131.034 . 1 1164 102 102 THR H H 9.277 . 1 1165 102 102 THR HA H 4.820 . 1 1166 102 102 THR HB H 3.680 . 1 1167 102 102 THR HG2 H 0.530 . 0 1168 102 102 THR C C 173.000 . 1 1169 102 102 THR CA C 62.100 . 1 1170 102 102 THR CB C 70.000 . 1 1171 102 102 THR CG2 C 23.500 . 1 1172 102 102 THR N N 129.985 . 1 1173 103 103 GLU H H 9.069 . 1 1174 103 103 GLU HA H 4.980 . 1 1175 103 103 GLU HB2 H 1.710 . 0 1176 103 103 GLU HB3 H 2.000 . 0 1177 103 103 GLU HG2 H 1.970 . 0 1178 103 103 GLU HG3 H 2.030 . 0 1179 103 103 GLU C C 174.500 . 1 1180 103 103 GLU CA C 54.800 . 1 1181 103 103 GLU CB C 33.000 . 1 1182 103 103 GLU CD C 183.200 . 1 1183 103 103 GLU CG C 37.200 . 1 1184 103 103 GLU N N 128.303 . 1 1185 104 104 PHE H H 8.787 . 1 1186 104 104 PHE HA H 4.490 . 1 1187 104 104 PHE HB2 H 2.660 . 0 1188 104 104 PHE HB3 H 2.890 . 0 1189 104 104 PHE HD1 H 6.848 . 0 1190 104 104 PHE HD2 H 6.848 . 0 1191 104 104 PHE HE1 H 6.730 . 0 1192 104 104 PHE HE2 H 6.730 . 0 1193 104 104 PHE HZ H 6.683 . 1 1194 104 104 PHE C C 175.500 . 1 1195 104 104 PHE CA C 57.600 . 1 1196 104 104 PHE CB C 40.300 . 1 1197 104 104 PHE CD1 C 132.515 . 0 1198 104 104 PHE CD2 C 132.515 . 0 1199 104 104 PHE CE1 C 130.833 . 0 1200 104 104 PHE CE2 C 130.833 . 0 1201 104 104 PHE CG C 139.200 . 1 1202 104 104 PHE CZ C 128.608 . 1 1203 104 104 PHE N N 128.048 . 1 1204 105 105 ASN H H 8.419 . 1 1205 105 105 ASN HA H 5.090 . 1 1206 105 105 ASN HB2 H 2.590 . 0 1207 105 105 ASN HB3 H 2.820 . 0 1208 105 105 ASN HD21 H 7.510 . 0 1209 105 105 ASN HD22 H 7.030 . 0 1210 105 105 ASN C C 175.400 . 1 1211 105 105 ASN CA C 52.500 . 1 1212 105 105 ASN CB C 40.200 . 1 1213 105 105 ASN CG C 177.700 . 1 1214 105 105 ASN N N 125.612 . 1 1215 105 105 ASN ND2 N 114.800 . 1 1216 106 106 GLY H H 8.483 . 1 1217 106 106 GLY HA2 H 3.670 . 0 1218 106 106 GLY HA3 H 4.220 . 0 1219 106 106 GLY C C 174.400 . 1 1220 106 106 GLY CA C 47.900 . 1 1221 106 106 GLY N N 115.127 . 1 1222 107 107 ASP H H 8.760 . 1 1223 107 107 ASP HA H 4.800 . 1 1224 107 107 ASP HB2 H 2.890 . 0 1225 107 107 ASP HB3 H 2.990 . 0 1226 107 107 ASP C C 175.200 . 1 1227 107 107 ASP CA C 54.900 . 1 1228 107 107 ASP CB C 41.700 . 1 1229 107 107 ASP CG C 180.600 . 1 1230 107 107 ASP N N 128.700 . 1 1231 108 108 THR H H 7.850 . 1 1232 108 108 THR HA H 5.330 . 1 1233 108 108 THR HB H 4.110 . 1 1234 108 108 THR HG2 H 1.160 . 0 1235 108 108 THR C C 173.500 . 1 1236 108 108 THR CA C 61.400 . 1 1237 108 108 THR CB C 72.500 . 1 1238 108 108 THR CG2 C 21.400 . 1 1239 108 108 THR N N 114.900 . 1 1240 109 109 ILE H H 8.705 . 1 1241 109 109 ILE HA H 4.600 . 1 1242 109 109 ILE HB H 1.050 . 1 1243 109 109 ILE HD1 H -0.380 . 0 1244 109 109 ILE HG12 H 0.180 . 0 1245 109 109 ILE HG13 H 0.880 . 0 1246 109 109 ILE HG2 H 0.074 . 0 1247 109 109 ILE C C 175.500 . 1 1248 109 109 ILE CA C 60.200 . 1 1249 109 109 ILE CB C 41.300 . 1 1250 109 109 ILE CD1 C 13.100 . 1 1251 109 109 ILE CG1 C 27.500 . 0 1252 109 109 ILE CG2 C 18.600 . 0 1253 109 109 ILE N N 125.942 . 1 1254 110 110 THR H H 8.619 . 1 1255 110 110 THR HA H 5.010 . 1 1256 110 110 THR HB H 3.940 . 1 1257 110 110 THR HG2 H 1.050 . 0 1258 110 110 THR C C 173.000 . 1 1259 110 110 THR CA C 61.700 . 1 1260 110 110 THR CB C 70.500 . 1 1261 110 110 THR CG2 C 21.100 . 1 1262 110 110 THR N N 123.865 . 1 1263 111 111 ASN H H 9.331 . 1 1264 111 111 ASN HA H 5.560 . 1 1265 111 111 ASN HB2 H 2.320 . 0 1266 111 111 ASN HB3 H 2.610 . 0 1267 111 111 ASN HD21 H 7.110 . 0 1268 111 111 ASN HD22 H 5.650 . 0 1269 111 111 ASN C C 174.400 . 1 1270 111 111 ASN CA C 52.200 . 1 1271 111 111 ASN CB C 43.300 . 1 1272 111 111 ASN CG C 173.900 . 1 1273 111 111 ASN N N 130.300 . 1 1274 111 111 ASN ND2 N 109.500 . 1 1275 112 112 THR H H 8.977 . 1 1276 112 112 THR HA H 4.750 . 1 1277 112 112 THR HB H 3.850 . 1 1278 112 112 THR HG2 H 0.960 . 0 1279 112 112 THR C C 173.800 . 1 1280 112 112 THR CA C 62.000 . 1 1281 112 112 THR CB C 70.200 . 1 1282 112 112 THR CG2 C 21.900 . 1 1283 112 112 THR N N 124.434 . 1 1284 113 113 MET H H 9.233 . 1 1285 113 113 MET HA H 5.430 . 1 1286 113 113 MET HB2 H 1.560 . 0 1287 113 113 MET HB3 H 1.780 . 0 1288 113 113 MET HG2 H 2.270 . 0 1289 113 113 MET HG3 H 2.420 . 0 1290 113 113 MET C C 174.000 . 1 1291 113 113 MET CA C 54.600 . 1 1292 113 113 MET CB C 37.100 . 1 1293 113 113 MET CG C 33.200 . 1 1294 113 113 MET N N 129.561 . 1 1295 114 114 THR H H 8.912 . 1 1296 114 114 THR HA H 5.290 . 1 1297 114 114 THR HB H 4.000 . 1 1298 114 114 THR HG2 H 1.160 . 0 1299 114 114 THR C C 173.700 . 1 1300 114 114 THR CA C 61.700 . 1 1301 114 114 THR CB C 71.000 . 1 1302 114 114 THR CG2 C 21.600 . 1 1303 114 114 THR N N 120.065 . 1 1304 115 115 LEU H H 8.937 . 1 1305 115 115 LEU HA H 4.650 . 1 1306 115 115 LEU HB2 H 1.260 . 0 1307 115 115 LEU HB3 H 1.680 . 0 1308 115 115 LEU HD1 H 0.470 . 0 1309 115 115 LEU HD2 H 0.660 . 0 1310 115 115 LEU HG H 1.350 . 1 1311 115 115 LEU C C 176.300 . 1 1312 115 115 LEU CA C 54.300 . 1 1313 115 115 LEU CB C 44.900 . 1 1314 115 115 LEU CD1 C 26.000 . 0 1315 115 115 LEU CD2 C 23.100 . 0 1316 115 115 LEU CG C 27.800 . 1 1317 115 115 LEU N N 132.086 . 1 1318 116 116 GLY H H 9.042 . 1 1319 116 116 GLY HA2 H 3.610 . 0 1320 116 116 GLY HA3 H 3.930 . 0 1321 116 116 GLY C C 174.400 . 1 1322 116 116 GLY CA C 47.700 . 1 1323 116 116 GLY N N 119.697 . 1 1324 117 117 ASP H H 8.641 . 1 1325 117 117 ASP HA H 4.600 . 1 1326 117 117 ASP HB2 H 2.670 . 0 1327 117 117 ASP HB3 H 2.740 . 0 1328 117 117 ASP C C 175.800 . 1 1329 117 117 ASP CA C 54.300 . 1 1330 117 117 ASP CB C 41.200 . 1 1331 117 117 ASP CG C 180.800 . 1 1332 117 117 ASP N N 128.247 . 1 1333 118 118 ILE H H 8.319 . 1 1334 118 118 ILE HA H 4.070 . 1 1335 118 118 ILE HB H 2.210 . 1 1336 118 118 ILE HD1 H 0.970 . 0 1337 118 118 ILE HG12 H 1.050 . 0 1338 118 118 ILE HG13 H 1.710 . 0 1339 118 118 ILE HG2 H 0.780 . 0 1340 118 118 ILE C C 174.500 . 1 1341 118 118 ILE CA C 61.900 . 1 1342 118 118 ILE CB C 39.200 . 1 1343 118 118 ILE CD1 C 18.200 . 1 1344 118 118 ILE CG1 C 27.400 . 0 1345 118 118 ILE CG2 C 14.000 . 0 1346 118 118 ILE N N 124.487 . 1 1347 119 119 VAL H H 8.342 . 1 1348 119 119 VAL HA H 4.710 . 1 1349 119 119 VAL HB H 1.980 . 1 1350 119 119 VAL HG1 H 0.860 . 0 1351 119 119 VAL HG2 H 0.720 . 0 1352 119 119 VAL C C 175.700 . 1 1353 119 119 VAL CA C 61.500 . 1 1354 119 119 VAL CB C 32.700 . 1 1355 119 119 VAL CG1 C 20.800 . 0 1356 119 119 VAL CG2 C 21.789 . 0 1357 119 119 VAL N N 129.455 . 1 1358 120 120 TYR H H 9.350 . 1 1359 120 120 TYR HA H 5.460 . 1 1360 120 120 TYR HB2 H 2.050 . 0 1361 120 120 TYR HB3 H 2.560 . 0 1362 120 120 TYR HD1 H 6.825 . 0 1363 120 120 TYR HD2 H 6.509 . 0 1364 120 120 TYR HE1 H 6.509 . 0 1365 120 120 TYR HE2 H 6.825 . 0 1366 120 120 TYR C C 174.100 . 1 1367 120 120 TYR CA C 54.200 . 1 1368 120 120 TYR CB C 40.000 . 1 1369 120 120 TYR CD1 C 133.435 . 0 1370 120 120 TYR CD2 C 133.435 . 0 1371 120 120 TYR CE1 C 117.035 . 0 1372 120 120 TYR CE2 C 117.035 . 0 1373 120 120 TYR CG C 130.100 . 1 1374 120 120 TYR CZ C 157.170 . 1 1375 120 120 TYR N N 132.949 . 1 1376 121 121 LYS H H 8.133 . 1 1377 121 121 LYS HA H 5.100 . 1 1378 121 121 LYS HB2 H 1.490 . 0 1379 121 121 LYS HB3 H 1.610 . 0 1380 121 121 LYS HD2 H 1.510 . 0 1381 121 121 LYS HE2 H 2.710 . 0 1382 121 121 LYS HG2 H 1.110 . 0 1383 121 121 LYS HG3 H 1.270 . 0 1384 121 121 LYS C C 174.400 . 1 1385 121 121 LYS CA C 54.500 . 1 1386 121 121 LYS CB C 36.800 . 1 1387 121 121 LYS CD C 29.600 . 1 1388 121 121 LYS CE C 42.100 . 1 1389 121 121 LYS CG C 25.500 . 1 1390 121 121 LYS N N 131.763 . 1 1391 122 122 ARG H H 8.720 . 1 1392 122 122 ARG HA H 4.800 . 1 1393 122 122 ARG HB2 H 1.380 . 0 1394 122 122 ARG HB3 H 1.710 . 0 1395 122 122 ARG HD2 H 3.220 . 0 1396 122 122 ARG HE H 9.800 . 1 1397 122 122 ARG HG2 H 1.390 . 0 1398 122 122 ARG C C 175.000 . 1 1399 122 122 ARG CA C 54.800 . 1 1400 122 122 ARG CB C 35.600 . 1 1401 122 122 ARG CD C 44.700 . 1 1402 122 122 ARG CG C 26.900 . 1 1403 122 122 ARG N N 126.200 . 1 1404 122 122 ARG NE N 86.900 . 1 1405 123 123 VAL H H 8.824 . 1 1406 123 123 VAL HA H 4.960 . 1 1407 123 123 VAL HB H 2.070 . 1 1408 123 123 VAL HG1 H 0.870 . 0 1409 123 123 VAL HG2 H 0.870 . 0 1410 123 123 VAL C C 175.900 . 1 1411 123 123 VAL CA C 62.000 . 1 1412 123 123 VAL CB C 33.700 . 1 1413 123 123 VAL CG1 C 21.100 . 0 1414 123 123 VAL CG2 C 21.100 . 0 1415 123 123 VAL N N 128.287 . 1 1416 124 124 SER H H 9.347 . 1 1417 124 124 SER HA H 5.360 . 1 1418 124 124 SER HB2 H 3.350 . 0 1419 124 124 SER HB3 H 3.520 . 0 1420 124 124 SER C C 172.100 . 1 1421 124 124 SER CA C 58.000 . 1 1422 124 124 SER CB C 66.200 . 1 1423 124 124 SER N N 125.571 . 1 1424 125 125 LYS H H 8.569 . 1 1425 125 125 LYS HA H 5.530 . 1 1426 125 125 LYS HB2 H 1.750 . 0 1427 125 125 LYS HB3 H 1.870 . 0 1428 125 125 LYS HD2 H 1.680 . 0 1429 125 125 LYS HE2 H 2.960 . 0 1430 125 125 LYS HG2 H 1.470 . 0 1431 125 125 LYS HG3 H 1.550 . 0 1432 125 125 LYS C C 175.500 . 1 1433 125 125 LYS CA C 54.000 . 1 1434 125 125 LYS CB C 36.900 . 1 1435 125 125 LYS CD C 29.400 . 1 1436 125 125 LYS CE C 42.400 . 1 1437 125 125 LYS CG C 25.000 . 1 1438 125 125 LYS N N 123.634 . 1 1439 126 126 ARG H H 8.742 . 1 1440 126 126 ARG HA H 4.280 . 1 1441 126 126 ARG HB2 H 1.750 . 0 1442 126 126 ARG HD2 H 3.130 . 0 1443 126 126 ARG HD3 H 3.350 . 0 1444 126 126 ARG HE H 7.430 . 1 1445 126 126 ARG HG2 H 1.420 . 0 1446 126 126 ARG HG3 H 1.600 . 0 1447 126 126 ARG C C 175.900 . 1 1448 126 126 ARG CA C 57.400 . 1 1449 126 126 ARG CB C 31.900 . 1 1450 126 126 ARG CD C 43.700 . 1 1451 126 126 ARG CG C 27.400 . 1 1452 126 126 ARG N N 128.323 . 1 1453 126 126 ARG NE N 85.000 . 1 1454 127 127 ILE H H 8.495 . 1 1455 127 127 ILE HA H 4.200 . 1 1456 127 127 ILE HB H 1.850 . 1 1457 127 127 ILE HD1 H 0.790 . 0 1458 127 127 ILE HG12 H 0.790 . 0 1459 127 127 ILE HG13 H 1.210 . 0 1460 127 127 ILE HG2 H 0.900 . 0 1461 127 127 ILE C C 180.800 . 1 1462 127 127 ILE CA C 63.000 . 1 1463 127 127 ILE CB C 40.500 . 1 1464 127 127 ILE CD1 C 14.500 . 1 1465 127 127 ILE CG1 C 27.500 . 0 1466 127 127 ILE CG2 C 18.800 . 0 1467 127 127 ILE N N 131.901 . 1 stop_ save_