data_15429 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution-state NMR structures of apo-LFABP (Liver Fatty Acid-Binding Protein) ; _BMRB_accession_number 15429 _BMRB_flat_file_name bmr15429.str _Entry_type original _Submission_date 2007-08-14 _Accession_date 2007-08-14 _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 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" 675 "13C chemical shifts" 566 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2008-03-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4098 'resonance assignments and secondary structure' stop_ 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LFABP-apo _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LFABP-apo $entity stop_ _System_molecular_weight 14273 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LFABP-apo _Molecular_mass 14295.663 _Mol_thiol_state 'not reported' _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 2015-02-06 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 BMRB 15433 LFABP 100.00 127 100.00 100.00 1.88e-84 BMRB 15434 LFABP 100.00 127 100.00 100.00 1.88e-84 BMRB 4098 "Liver Fatty Acid-Binding Protein" 100.00 127 100.00 100.00 1.88e-84 PDB 1LFO "Liver Fatty Acid Binding Protein-Oleate Complex" 100.00 128 99.21 99.21 7.21e-83 PDB 2JU3 "Solution-State Nmr Structures Of Apo-Lfabp (Liver Fatty Acid-Binding Protein)" 100.00 127 100.00 100.00 1.88e-84 PDB 2JU7 "Solution-State Structures Of Oleate-Liganded Lfabp, Protein Only" 100.00 127 100.00 100.00 1.88e-84 PDB 2JU8 "Solution-State Structures Of Oleate-Liganded Lfabp, Major Form Of 1:2 Protein-Ligand Complex" 100.00 127 100.00 100.00 1.88e-84 EMBL CAA24545 "unnamed protein product [Rattus norvegicus]" 100.00 127 100.00 100.00 1.88e-84 GB AAA41134 "liver fatty acid binding protein p14, partial [Rattus norvegicus]" 80.31 102 100.00 100.00 6.07e-65 GB AAA41135 "fatty acid binding protein (FABP) [Rattus norvegicus]" 100.00 127 100.00 100.00 1.88e-84 GB AAA41140 "liver fatty acid binding protein [Rattus norvegicus]" 100.00 127 100.00 100.00 1.88e-84 GB AAA42119 "sterol carrier protein, partial [Rattus sp.]" 74.02 94 100.00 100.00 4.09e-57 GB AAB19788 "fatty-acid-binding protein [synthetic construct]" 100.00 127 100.00 100.00 1.88e-84 PRF 1202232B "protein,fatty acid binding" 100.00 127 100.00 100.00 1.88e-84 REF NP_036688 "fatty acid-binding protein, liver [Rattus norvegicus]" 100.00 127 100.00 100.00 1.88e-84 SP P02692 "RecName: Full=Fatty acid-binding protein, liver; AltName: Full=Fatty acid-binding protein 1; AltName: Full=Liver-type fatty aci" 100.00 127 100.00 100.00 1.88e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity '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 'C13, N15-labeled apo-LFABP, pH6' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 1.3 '[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 % . . . H2O 95 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'C13, N15-labeled apo-LFABP, pD6' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 1.3 '[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 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'N15-labeled apo-LFABP, pH6' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . 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 % . . . D2O 95 % . . . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'N15-labeled apo-LFABP, with C12/E5 alignment media' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 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 % . D2O 95 % . C12E5 5 % '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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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' 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-apo _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 4.826 . 1 2 2 2 ASN HB2 H 2.575 . 1 3 2 2 ASN HB3 H 2.862 . 1 4 2 2 ASN C C 176.000 . 1 5 2 2 ASN CA C 52.225 . 1 6 2 2 ASN CB C 40.255 . 1 7 3 3 PHE H H 11.436 . 1 8 3 3 PHE HA H 4.312 . 1 9 3 3 PHE HB2 H 2.476 . 1 10 3 3 PHE HB3 H 3.073 . 1 11 3 3 PHE HD1 H 6.658 . 3 12 3 3 PHE HD2 H 6.658 . 3 13 3 3 PHE HE1 H 6.957 . 3 14 3 3 PHE HE2 H 6.957 . 3 15 3 3 PHE C C 177.000 . 1 16 3 3 PHE CA C 56.799 . 1 17 3 3 PHE CB C 38.804 . 1 18 3 3 PHE CD1 C 132.483 . 3 19 3 3 PHE CD2 C 132.483 . 3 20 3 3 PHE CE1 C 130.296 . 3 21 3 3 PHE CE2 C 130.296 . 3 22 3 3 PHE CG C 138.629 . 1 23 3 3 PHE N N 131.751 . 1 24 4 4 SER H H 8.677 . 1 25 4 4 SER HA H 4.426 . 1 26 4 4 SER HB2 H 3.993 . 1 27 4 4 SER HB3 H 4.121 . 1 28 4 4 SER C C 174.200 . 1 29 4 4 SER CA C 61.157 . 1 30 4 4 SER CB C 64.572 . 1 31 4 4 SER N N 118.296 . 1 32 5 5 GLY H H 9.077 . 1 33 5 5 GLY HA2 H 3.780 . . 34 5 5 GLY HA3 H 3.907 . 1 35 5 5 GLY C C 170.100 . 1 36 5 5 GLY CA C 45.292 . 1 37 5 5 GLY N N 112.934 . 1 38 6 6 LYS H H 8.209 . 1 39 6 6 LYS HA H 5.169 . 1 40 6 6 LYS HB2 H 1.653 . 1 41 6 6 LYS HD2 H 1.640 . . 42 6 6 LYS HE2 H 2.884 . 1 43 6 6 LYS HG2 H 1.249 . 1 44 6 6 LYS HG3 H 1.454 . 1 45 6 6 LYS C C 174.800 . 1 46 6 6 LYS CA C 55.383 . 1 47 6 6 LYS CB C 34.900 . 1 48 6 6 LYS CD C 29.577 . 1 49 6 6 LYS CE C 42.300 . 1 50 6 6 LYS CG C 25.947 . 1 51 6 6 LYS N N 122.698 . 1 52 7 7 TYR H H 9.083 . 1 53 7 7 TYR HA H 5.233 . 1 54 7 7 TYR HB2 H 2.450 . 1 55 7 7 TYR HB3 H 2.651 . 1 56 7 7 TYR HD1 H 6.741 . 3 57 7 7 TYR HD2 H 6.741 . 3 58 7 7 TYR HE1 H 6.577 . 3 59 7 7 TYR HE2 H 6.577 . 3 60 7 7 TYR C C 174.800 . 1 61 7 7 TYR CA C 56.035 . 1 62 7 7 TYR CB C 42.129 . 1 63 7 7 TYR CD1 C 133.655 . 3 64 7 7 TYR CD2 C 133.655 . 3 65 7 7 TYR CE1 C 117.413 . 3 66 7 7 TYR CE2 C 117.413 . 3 67 7 7 TYR CG C 129.989 . 1 68 7 7 TYR N N 121.701 . 1 69 8 8 GLN H H 9.259 . 1 70 8 8 GLN HA H 5.131 . 1 71 8 8 GLN HB2 H 2.071 . 2 72 8 8 GLN HB3 H 2.007 . 1 73 8 8 GLN HG2 H 2.259 . 1 74 8 8 GLN HG3 H 2.418 . 1 75 8 8 GLN C C 176.200 . 1 76 8 8 GLN CA C 54.300 . . 77 8 8 GLN CB C 32.606 . 1 78 8 8 GLN CG C 33.900 . 1 79 8 8 GLN N N 125.747 . 1 80 9 9 VAL H H 8.708 . 1 81 9 9 VAL HA H 4.084 . 1 82 9 9 VAL HB H 1.917 . 1 83 9 9 VAL HG1 H 0.870 . 1 84 9 9 VAL HG2 H 0.960 . 1 85 9 9 VAL C C 175.300 . 1 86 9 9 VAL CA C 65.142 . 1 87 9 9 VAL CB C 32.923 . 1 88 9 9 VAL CG1 C 21.746 . 1 89 9 9 VAL CG2 C 23.051 . 1 90 9 9 VAL N N 132.034 . 1 91 10 10 GLN H H 9.964 . 1 92 10 10 GLN HA H 4.554 . 1 93 10 10 GLN HB2 H 1.958 . 1 94 10 10 GLN HB3 H 2.167 . 1 95 10 10 GLN HG2 H 2.402 . 1 96 10 10 GLN C C 176.000 . 1 97 10 10 GLN CA C 56.000 . 1 98 10 10 GLN CB C 31.840 . 1 99 10 10 GLN CG C 34.456 . 1 100 10 10 GLN N N 128.201 . 1 101 11 11 SER H H 7.934 . 1 102 11 11 SER HA H 4.731 . 1 103 11 11 SER HB2 H 3.808 . 2 104 11 11 SER HB3 H 3.872 . 1 105 11 11 SER C C 172.200 . 1 106 11 11 SER CA C 57.600 . 1 107 11 11 SER CB C 65.300 . 1 108 11 11 SER N N 114.119 . 1 109 12 12 GLN H H 8.596 . 1 110 12 12 GLN HA H 5.440 . 1 111 12 12 GLN HB2 H 2.238 . 2 112 12 12 GLN HB3 H 2.181 . 1 113 12 12 GLN HG2 H 2.400 . . 114 12 12 GLN HG3 H 2.431 . 1 115 12 12 GLN C C 174.400 . 1 116 12 12 GLN CA C 54.954 . 1 117 12 12 GLN CB C 33.607 . 1 118 12 12 GLN CG C 34.595 . 1 119 12 12 GLN N N 120.786 . 1 120 13 13 GLU H H 9.095 . 1 121 13 13 GLU HA H 4.859 . 1 122 13 13 GLU HB2 H 1.904 . 1 123 13 13 GLU HB3 H 2.130 . 1 124 13 13 GLU HG2 H 1.792 . 2 125 13 13 GLU HG3 H 2.282 . 1 126 13 13 GLU C C 175.700 . 1 127 13 13 GLU CA C 55.265 . 1 128 13 13 GLU CB C 33.900 . 1 129 13 13 GLU CG C 36.179 . 1 130 13 13 GLU N N 123.733 . 1 131 14 14 ASN H H 9.233 . 1 132 14 14 ASN HA H 4.549 . 1 133 14 14 ASN HB2 H 3.143 . 1 134 14 14 ASN HB3 H 3.705 . 1 135 14 14 ASN C C 174.600 . 1 136 14 14 ASN CA C 54.695 . 1 137 14 14 ASN CB C 36.200 . 1 138 14 14 ASN N N 117.967 . 1 139 15 15 PHE H H 8.696 . 1 140 15 15 PHE HA H 3.876 . 1 141 15 15 PHE HB2 H 3.119 . 1 142 15 15 PHE HD1 H 7.085 . 3 143 15 15 PHE HD2 H 7.085 . 3 144 15 15 PHE HE1 H 7.428 . 3 145 15 15 PHE HE2 H 7.428 . 3 146 15 15 PHE C C 176.300 . 1 147 15 15 PHE CA C 62.700 . 1 148 15 15 PHE CB C 40.500 . 1 149 15 15 PHE CD1 C 131.229 . 3 150 15 15 PHE CD2 C 131.229 . 3 151 15 15 PHE CE1 C 131.421 . 3 152 15 15 PHE CE2 C 131.421 . 3 153 15 15 PHE CG C 138.423 . 1 154 15 15 PHE N N 121.267 . 1 155 16 16 GLU H H 9.646 . 1 156 16 16 GLU HA H 3.870 . 1 157 16 16 GLU HB2 H 2.218 . 1 158 16 16 GLU HG2 H 2.341 . 1 159 16 16 GLU C C 175.300 . 1 160 16 16 GLU CA C 62.400 . 1 161 16 16 GLU CB C 27.000 . 1 162 16 16 GLU CG C 37.407 . 1 163 16 16 GLU N N 118.635 . 1 164 17 17 PRO HA H 4.268 . 1 165 17 17 PRO HB2 H 1.789 . 1 166 17 17 PRO HB3 H 2.361 . 1 167 17 17 PRO HD2 H 3.669 . 1 168 17 17 PRO HD3 H 3.741 . 1 169 17 17 PRO HG2 H 2.112 . 2 170 17 17 PRO HG3 H 2.137 . 1 171 17 17 PRO C C 179.600 . 1 172 17 17 PRO CA C 65.501 . 1 173 17 17 PRO CB C 30.869 . 1 174 17 17 PRO CD C 49.700 . 1 175 17 17 PRO CG C 27.899 . 1 176 18 18 PHE H H 7.376 . 1 177 18 18 PHE HA H 3.965 . 1 178 18 18 PHE HB2 H 2.916 . 1 179 18 18 PHE HB3 H 3.088 . 1 180 18 18 PHE HD1 H 6.758 . 3 181 18 18 PHE HD2 H 6.758 . 3 182 18 18 PHE HE1 H 7.024 . 3 183 18 18 PHE HE2 H 7.024 . 3 184 18 18 PHE C C 176.100 . 1 185 18 18 PHE CA C 62.336 . 1 186 18 18 PHE CB C 40.533 . 1 187 18 18 PHE CD1 C 133.655 . 3 188 18 18 PHE CD2 C 133.655 . 3 189 18 18 PHE CE1 C 133.224 . 3 190 18 18 PHE CE2 C 133.224 . 3 191 18 18 PHE CG C 137.614 . 1 192 18 18 PHE N N 120.614 . 1 193 19 19 MET H H 8.270 . 1 194 19 19 MET HA H 3.941 . 1 195 19 19 MET HB2 H 1.589 . 2 196 19 19 MET HB3 H 1.404 . 1 197 19 19 MET HG2 H 1.490 . . 198 19 19 MET HG3 H 1.892 . 1 199 19 19 MET C C 179.500 . 1 200 19 19 MET CA C 56.800 . 1 201 19 19 MET CB C 31.600 . 1 202 19 19 MET CG C 32.679 . 1 203 19 19 MET N N 117.982 . 1 204 20 20 LYS H H 8.232 . 1 205 20 20 LYS HA H 3.976 . 1 206 20 20 LYS HB2 H 1.797 . 1 207 20 20 LYS HD2 H 1.650 . . 208 20 20 LYS HE2 H 2.940 . . 209 20 20 LYS HG2 H 1.356 . 1 210 20 20 LYS HG3 H 1.505 . 1 211 20 20 LYS C C 180.700 . 1 212 20 20 LYS CA C 59.500 . 1 213 20 20 LYS CB C 32.400 . 1 214 20 20 LYS CD C 29.400 . 1 215 20 20 LYS CE C 42.200 . 1 216 20 20 LYS CG C 25.376 . 1 217 20 20 LYS N N 122.213 . 1 218 21 21 ALA H H 7.607 . 1 219 21 21 ALA HA H 4.037 . 1 220 21 21 ALA HB H 1.334 . 1 221 21 21 ALA C C 179.500 . 1 222 21 21 ALA CA C 54.700 . 1 223 21 21 ALA CB C 17.925 . 1 224 21 21 ALA N N 125.966 . 1 225 22 22 MET H H 7.438 . 1 226 22 22 MET HA H 4.136 . 1 227 22 22 MET HB2 H 1.880 . 2 228 22 22 MET HB3 H 1.840 . 1 229 22 22 MET HG2 H 2.196 . 2 230 22 22 MET HG3 H 2.055 . 1 231 22 22 MET C C 176.500 . 1 232 22 22 MET CA C 55.500 . 1 233 22 22 MET CB C 33.123 . 1 234 22 22 MET CG C 32.398 . 1 235 22 22 MET N N 117.336 . 1 236 23 23 GLY H H 7.614 . 1 237 23 23 GLY HA2 H 3.680 . 1 238 23 23 GLY HA3 H 4.129 . 1 239 23 23 GLY C C 175.000 . 1 240 23 23 GLY CA C 45.300 . 1 241 23 23 GLY N N 108.110 . 1 242 24 24 LEU H H 7.473 . 1 243 24 24 LEU HA H 4.400 . 1 244 24 24 LEU HB2 H 1.208 . 1 245 24 24 LEU HB3 H 1.422 . 1 246 24 24 LEU HD1 H 0.848 . 1 247 24 24 LEU HD2 H 0.775 . 1 248 24 24 LEU HG H 1.659 . 1 249 24 24 LEU C C 174.300 . 1 250 24 24 LEU CA C 53.706 . 1 251 24 24 LEU CB C 41.900 . 1 252 24 24 LEU CD1 C 25.102 . 1 253 24 24 LEU CD2 C 24.543 . 1 254 24 24 LEU CG C 28.272 . 1 255 24 24 LEU N N 125.390 . 1 256 25 25 PRO HA H 4.470 . 1 257 25 25 PRO HB2 H 2.090 . 1 258 25 25 PRO HB3 H 2.454 . 1 259 25 25 PRO HD2 H 3.528 . 1 260 25 25 PRO HD3 H 4.000 . . 261 25 25 PRO HG2 H 2.138 . 1 262 25 25 PRO C C 177.900 . 1 263 25 25 PRO CA C 62.700 . 1 264 25 25 PRO CB C 32.749 . 1 265 25 25 PRO CD C 50.830 . 1 266 25 25 PRO CG C 27.899 . 1 267 26 26 GLU H H 8.718 . 1 268 26 26 GLU HA H 3.877 . 1 269 26 26 GLU HB2 H 2.063 . 2 270 26 26 GLU HB3 H 2.110 . 1 271 26 26 GLU HG2 H 2.350 . . 272 26 26 GLU C C 178.300 . 1 273 26 26 GLU CA C 60.014 . 1 274 26 26 GLU CB C 29.909 . 1 275 26 26 GLU CG C 36.300 . 1 276 26 26 GLU N N 124.310 . 1 277 27 27 ASP H H 8.832 . 1 278 27 27 ASP HA H 4.376 . 1 279 27 27 ASP HB2 H 2.645 . 1 280 27 27 ASP C C 178.500 . 1 281 27 27 ASP CA C 56.998 . 1 282 27 27 ASP CB C 40.100 . 1 283 27 27 ASP N N 118.698 . 1 284 28 28 LEU H H 7.163 . 1 285 28 28 LEU HA H 4.233 . 1 286 28 28 LEU HB2 H 1.634 . 1 287 28 28 LEU HB3 H 1.822 . 1 288 28 28 LEU HD1 H 0.990 . . 289 28 28 LEU HD2 H 0.910 . . 290 28 28 LEU HG H 1.773 . 1 291 28 28 LEU C C 180.300 . 1 292 28 28 LEU CA C 57.200 . 1 293 28 28 LEU CB C 41.939 . 1 294 28 28 LEU CD1 C 25.100 . . 295 28 28 LEU CD2 C 23.611 . 1 296 28 28 LEU CG C 27.655 . 1 297 28 28 LEU N N 121.607 . 1 298 29 29 ILE H H 7.796 . 1 299 29 29 ILE HA H 3.641 . 1 300 29 29 ILE HB H 2.065 . 1 301 29 29 ILE HD1 H 0.688 . 1 302 29 29 ILE HG12 H 1.706 . 1 303 29 29 ILE HG13 H 0.460 . . 304 29 29 ILE HG2 H 0.958 . 1 305 29 29 ILE C C 177.800 . 1 306 29 29 ILE CA C 66.100 . 1 307 29 29 ILE CB C 38.000 . 1 308 29 29 ILE CD1 C 13.543 . 1 309 29 29 ILE CG1 C 29.390 . 1 310 29 29 ILE CG2 C 18.017 . 1 311 29 29 ILE N N 124.134 . 1 312 30 30 GLN H H 8.221 . 1 313 30 30 GLN HA H 3.997 . 1 314 30 30 GLN HB2 H 2.194 . 1 315 30 30 GLN HG2 H 2.543 . 1 316 30 30 GLN C C 178.700 . 1 317 30 30 GLN CA C 58.700 . 1 318 30 30 GLN CB C 28.232 . 1 319 30 30 GLN CG C 33.579 . 1 320 30 30 GLN N N 119.317 . 1 321 31 31 LYS H H 7.694 . 1 322 31 31 LYS HA H 4.218 . 1 323 31 31 LYS HB2 H 1.914 . 1 324 31 31 LYS HD2 H 1.668 . 1 325 31 31 LYS HE2 H 3.000 . . 326 31 31 LYS HG2 H 1.542 . 1 327 31 31 LYS HG3 H 1.668 . 1 328 31 31 LYS C C 178.600 . 1 329 31 31 LYS CA C 58.343 . 1 330 31 31 LYS CB C 33.142 . 1 331 31 31 LYS CD C 29.300 . 1 332 31 31 LYS CE C 42.400 . 1 333 31 31 LYS CG C 25.475 . 1 334 31 31 LYS N N 118.711 . 1 335 32 32 GLY H H 7.900 . 1 336 32 32 GLY HA2 H 3.818 . 1 337 32 32 GLY HA3 H 4.190 . 1 338 32 32 GLY C C 175.500 . 1 339 32 32 GLY CA C 46.042 . 1 340 32 32 GLY N N 107.880 . 1 341 33 33 LYS H H 7.499 . 1 342 33 33 LYS HA H 3.340 . 1 343 33 33 LYS HB2 H 1.870 . 1 344 33 33 LYS HD2 H 1.706 . 2 345 33 33 LYS HD3 H 1.402 . 1 346 33 33 LYS HE2 H 3.060 . . 347 33 33 LYS HG2 H 1.376 . 2 348 33 33 LYS HG3 H 1.540 . 1 349 33 33 LYS C C 176.100 . 1 350 33 33 LYS CA C 58.900 . 1 351 33 33 LYS CB C 32.400 . 1 352 33 33 LYS CD C 29.800 . 1 353 33 33 LYS CG C 24.300 . 1 354 33 33 LYS N N 121.526 . 1 355 34 34 ASP H H 7.861 . 1 356 34 34 ASP HA H 4.775 . 1 357 34 34 ASP HB2 H 2.486 . 1 358 34 34 ASP HB3 H 2.812 . 1 359 34 34 ASP C C 176.000 . 1 360 34 34 ASP CA C 54.400 . 1 361 34 34 ASP CB C 41.686 . 1 362 34 34 ASP N N 119.548 . 1 363 35 35 ILE H H 7.254 . 1 364 35 35 ILE HA H 3.950 . 1 365 35 35 ILE HB H 1.781 . 1 366 35 35 ILE HD1 H 0.762 . 1 367 35 35 ILE HG12 H 1.163 . 1 368 35 35 ILE HG13 H 1.520 . . 369 35 35 ILE HG2 H 0.716 . 1 370 35 35 ILE C C 176.300 . 1 371 35 35 ILE CA C 61.295 . 1 372 35 35 ILE CB C 38.263 . 1 373 35 35 ILE CD1 C 12.797 . 1 374 35 35 ILE CG1 C 27.600 . . 375 35 35 ILE CG2 C 17.300 . . 376 35 35 ILE N N 122.422 . 1 377 36 36 LYS H H 8.626 . 1 378 36 36 LYS HA H 4.238 . 1 379 36 36 LYS HB2 H 1.783 . 1 380 36 36 LYS HD2 H 1.650 . . 381 36 36 LYS HE2 H 3.010 . . 382 36 36 LYS HG2 H 1.280 . . 383 36 36 LYS C C 176.100 . 1 384 36 36 LYS CA C 55.868 . 1 385 36 36 LYS CB C 31.778 . 1 386 36 36 LYS CD C 29.300 . 1 387 36 36 LYS CE C 42.092 . 1 388 36 36 LYS CG C 25.283 . 1 389 36 36 LYS N N 130.723 . 1 390 37 37 GLY H H 8.021 . 1 391 37 37 GLY HA2 H 3.720 . 1 392 37 37 GLY HA3 H 4.146 . 1 393 37 37 GLY C C 174.300 . 1 394 37 37 GLY CA C 45.277 . 1 395 37 37 GLY N N 113.035 . 1 396 38 38 VAL H H 8.082 . 1 397 38 38 VAL HA H 5.064 . 1 398 38 38 VAL HB H 2.056 . 1 399 38 38 VAL HG1 H 1.161 . 2 400 38 38 VAL HG2 H 0.955 . 1 401 38 38 VAL CA C 60.983 . 1 402 38 38 VAL CB C 35.202 . 1 403 38 38 VAL CG1 C 21.560 . 1 404 38 38 VAL CG2 C 21.591 . 1 405 38 38 VAL N N 121.483 . 1 406 39 39 SER H H 9.101 . 1 407 39 39 SER HA H 5.373 . 1 408 39 39 SER HB2 H 3.746 . 1 409 39 39 SER C C 172.900 . 1 410 39 39 SER CA C 57.200 . 1 411 39 39 SER CB C 65.700 . 1 412 39 39 SER N N 122.139 . 1 413 40 40 GLU H H 9.391 . 1 414 40 40 GLU HA H 5.333 . 1 415 40 40 GLU HB2 H 2.079 . 2 416 40 40 GLU HB3 H 1.955 . 1 417 40 40 GLU HG2 H 2.070 . . 418 40 40 GLU HG3 H 2.212 . 1 419 40 40 GLU C C 175.100 . 1 420 40 40 GLU CA C 55.484 . 1 421 40 40 GLU CB C 32.855 . 1 422 40 40 GLU CG C 36.888 . 1 423 40 40 GLU N N 126.807 . 1 424 41 41 ILE H H 9.519 . 1 425 41 41 ILE HA H 5.147 . 1 426 41 41 ILE HB H 2.284 . 1 427 41 41 ILE HD1 H 0.894 . 1 428 41 41 ILE HG12 H 1.135 . 1 429 41 41 ILE HG13 H 1.740 . . 430 41 41 ILE HG2 H 0.820 . 1 431 41 41 ILE C C 176.300 . 1 432 41 41 ILE CA C 60.533 . 1 433 41 41 ILE CB C 40.643 . 1 434 41 41 ILE CD1 C 13.403 . 1 435 41 41 ILE CG1 C 27.800 . . 436 41 41 ILE CG2 C 17.800 . 1 437 41 41 ILE N N 127.479 . 1 438 42 42 VAL H H 9.304 . 1 439 42 42 VAL HA H 4.226 . 1 440 42 42 VAL HB H 2.073 . 1 441 42 42 VAL HG1 H 0.955 . 1 442 42 42 VAL HG2 H 0.994 . 1 443 42 42 VAL C C 173.800 . 1 444 42 42 VAL CA C 63.123 . 1 445 42 42 VAL CB C 33.487 . 1 446 42 42 VAL CG1 C 20.929 . 1 447 42 42 VAL CG2 C 20.435 . 1 448 42 42 VAL N N 132.511 . 1 449 43 43 HIS H H 8.855 . 1 450 43 43 HIS HA H 5.513 . 1 451 43 43 HIS HB2 H 2.521 . 1 452 43 43 HIS HB3 H 3.355 . 1 453 43 43 HIS HD2 H 6.630 . 3 454 43 43 HIS HE1 H 7.234 . 3 455 43 43 HIS C C 174.100 . 1 456 43 43 HIS CA C 53.008 . 1 457 43 43 HIS CB C 34.719 . 1 458 43 43 HIS CD2 C 115.794 . 1 459 43 43 HIS CE1 C 138.355 . 1 460 43 43 HIS CG C 135.708 . 1 461 43 43 HIS N N 133.557 . 1 462 44 44 GLU H H 8.932 . 1 463 44 44 GLU HA H 4.380 . 1 464 44 44 GLU HB2 H 1.851 . 1 465 44 44 GLU HB3 H 1.922 . 1 466 44 44 GLU HG2 H 2.071 . 1 467 44 44 GLU C C 175.800 . 1 468 44 44 GLU CA C 54.932 . 1 469 44 44 GLU CB C 31.752 . 1 470 44 44 GLU CG C 36.077 . 1 471 44 44 GLU N N 132.508 . 1 472 45 45 GLY H H 8.570 . 1 473 45 45 GLY HA2 H 3.540 . 1 474 45 45 GLY HA3 H 3.992 . 1 475 45 45 GLY C C 174.400 . 1 476 45 45 GLY CA C 47.400 . 1 477 45 45 GLY N N 119.159 . 1 478 46 46 LYS H H 8.876 . 1 479 46 46 LYS HA H 4.581 . 1 480 46 46 LYS HB2 H 1.869 . 1 481 46 46 LYS HB3 H 2.260 . 1 482 46 46 LYS HD2 H 1.776 . 1 483 46 46 LYS HE2 H 3.042 . 1 484 46 46 LYS HG2 H 1.557 . 1 485 46 46 LYS HG3 H 1.613 . 1 486 46 46 LYS C C 175.100 . 1 487 46 46 LYS CA C 56.434 . 1 488 46 46 LYS CB C 33.700 . 1 489 46 46 LYS CD C 29.800 . 1 490 46 46 LYS CE C 42.800 . 1 491 46 46 LYS CG C 25.800 . 1 492 46 46 LYS N N 127.791 . 1 493 47 47 LYS H H 8.164 . 1 494 47 47 LYS HA H 4.788 . 1 495 47 47 LYS HB2 H 1.690 . . 496 47 47 LYS HB3 H 1.945 . 1 497 47 47 LYS HD2 H 1.682 . 1 498 47 47 LYS HE2 H 2.960 . . 499 47 47 LYS HG2 H 1.290 . . 500 47 47 LYS HG3 H 1.447 . 1 501 47 47 LYS C C 177.900 . 1 502 47 47 LYS CA C 56.227 . 1 503 47 47 LYS CB C 33.497 . 1 504 47 47 LYS CD C 28.831 . 1 505 47 47 LYS CE C 41.000 . 1 506 47 47 LYS CG C 25.475 . 1 507 47 47 LYS N N 122.619 . 1 508 48 48 VAL H H 8.705 . 1 509 48 48 VAL HA H 4.610 . 1 510 48 48 VAL HB H 0.764 . 1 511 48 48 VAL HG1 H 0.454 . 1 512 48 48 VAL HG2 H 0.536 . 1 513 48 48 VAL C C 174.200 . 1 514 48 48 VAL CA C 61.100 . 1 515 48 48 VAL CB C 34.065 . 1 516 48 48 VAL CG1 C 22.305 . 1 517 48 48 VAL CG2 C 21.373 . 1 518 48 48 VAL N N 126.991 . 1 519 49 49 LYS H H 8.688 . 1 520 49 49 LYS HA H 4.822 . 1 521 49 49 LYS HB2 H 1.794 . 1 522 49 49 LYS HD2 H 1.626 . 1 523 49 49 LYS HD3 H 1.676 . 1 524 49 49 LYS HE2 H 2.978 . 1 525 49 49 LYS HG2 H 1.451 . 1 526 49 49 LYS C C 174.900 . 1 527 49 49 LYS CA C 55.212 . 1 528 49 49 LYS CB C 34.817 . 1 529 49 49 LYS CD C 31.800 . 1 530 49 49 LYS CE C 42.100 . 1 531 49 49 LYS CG C 24.543 . 1 532 49 49 LYS N N 127.163 . 1 533 50 50 LEU H H 9.096 . 1 534 50 50 LEU HA H 5.330 . 1 535 50 50 LEU HB2 H 1.508 . 1 536 50 50 LEU HB3 H 1.708 . 1 537 50 50 LEU HD1 H 0.934 . 1 538 50 50 LEU HG H 1.571 . 1 539 50 50 LEU C C 175.800 . 1 540 50 50 LEU CA C 53.983 . 1 541 50 50 LEU CB C 46.552 . 1 542 50 50 LEU CD1 C 25.102 . 1 543 50 50 LEU CG C 26.221 . 1 544 50 50 LEU N N 127.933 . 1 545 51 51 THR H H 9.125 . 1 546 51 51 THR HA H 5.262 . 1 547 51 51 THR HB H 4.111 . 1 548 51 51 THR HG2 H 1.114 . 1 549 51 51 THR C C 173.600 . 1 550 51 51 THR CA C 62.214 . 1 551 51 51 THR CB C 70.817 . 1 552 51 51 THR CG2 C 22.119 . 1 553 51 51 THR N N 125.645 . 1 554 52 52 ILE H H 9.042 . 1 555 52 52 ILE HA H 4.778 . 1 556 52 52 ILE HB H 1.610 . 1 557 52 52 ILE HD1 H 0.585 . 1 558 52 52 ILE HG12 H 0.914 . 1 559 52 52 ILE HG13 H 1.456 . 1 560 52 52 ILE HG2 H 0.585 . 2 561 52 52 ILE CA C 60.012 . 1 562 52 52 ILE CB C 41.631 . 1 563 52 52 ILE CD1 C 16.808 . 1 564 52 52 ILE CG1 C 25.125 . 2 565 52 52 ILE N N 129.333 . 1 566 53 53 THR H H 8.817 . 1 567 53 53 THR HA H 4.813 . 1 568 53 53 THR HB H 4.093 . 1 569 53 53 THR HG2 H 0.955 . 1 570 53 53 THR CA C 61.483 . 1 571 53 53 THR CB C 69.263 . 1 572 53 53 THR CG2 C 18.097 . 1 573 53 53 THR N N 120.542 . 1 574 54 54 TYR H H 9.062 . 1 575 54 54 TYR HA H 4.798 . 1 576 54 54 TYR HB2 H 2.874 . 1 577 54 54 TYR HB3 H 2.988 . 1 578 54 54 TYR HD1 H 6.997 . 3 579 54 54 TYR HD2 H 6.997 . 3 580 54 54 TYR HE1 H 6.704 . 3 581 54 54 TYR HE2 H 6.704 . 3 582 54 54 TYR C C 176.100 . 1 583 54 54 TYR CA C 56.700 . 1 584 54 54 TYR CB C 39.707 . 1 585 54 54 TYR CD1 C 133.224 . 3 586 54 54 TYR CD2 C 133.224 . 3 587 54 54 TYR CE1 C 118.229 . 3 588 54 54 TYR CE2 C 118.229 . 3 589 54 54 TYR CG C 130.736 . 1 590 54 54 TYR N N 128.291 . 1 591 55 55 GLY H H 8.894 . 1 592 55 55 GLY HA2 H 3.680 . 1 593 55 55 GLY HA3 H 4.163 . 1 594 55 55 GLY C C 174.100 . 1 595 55 55 GLY CA C 47.500 . 1 596 55 55 GLY N N 116.732 . 1 597 56 56 SER H H 8.655 . 1 598 56 56 SER HA H 4.407 . 1 599 56 56 SER HB2 H 3.810 . 1 600 56 56 SER HB3 H 4.046 . 1 601 56 56 SER C C 173.800 . 1 602 56 56 SER CA C 58.758 . 1 603 56 56 SER CB C 63.981 . 1 604 56 56 SER N N 123.548 . 1 605 57 57 LYS H H 7.920 . 1 606 57 57 LYS HA H 4.547 . 1 607 57 57 LYS HB2 H 1.899 . 1 608 57 57 LYS HB3 H 2.082 . 1 609 57 57 LYS HD2 H 1.752 . 1 610 57 57 LYS HE2 H 2.940 . . 611 57 57 LYS HG2 H 1.457 . 1 612 57 57 LYS C C 174.300 . 1 613 57 57 LYS CA C 55.600 . 1 614 57 57 LYS CB C 33.978 . 1 615 57 57 LYS CD C 28.831 . 1 616 57 57 LYS CE C 42.400 . 1 617 57 57 LYS CG C 24.808 . 1 618 57 57 LYS N N 126.097 . 1 619 58 58 VAL H H 8.489 . 1 620 58 58 VAL HA H 4.577 . 1 621 58 58 VAL HB H 1.929 . 1 622 58 58 VAL HG1 H 0.694 . 1 623 58 58 VAL HG2 H 0.913 . 1 624 58 58 VAL C C 175.800 . 1 625 58 58 VAL CA C 61.886 . 1 626 58 58 VAL CB C 33.334 . 1 627 58 58 VAL CG1 C 21.373 . 1 628 58 58 VAL CG2 C 21.187 . 1 629 58 58 VAL N N 128.223 . 1 630 59 59 ILE H H 9.061 . 1 631 59 59 ILE HA H 4.445 . 1 632 59 59 ILE HB H 1.924 . 1 633 59 59 ILE HG12 H 1.260 . 1 634 59 59 ILE HG13 H 1.498 . 1 635 59 59 ILE HG2 H 0.799 . 2 636 59 59 ILE CA C 59.789 . 1 637 59 59 ILE CB C 40.051 . 1 638 59 59 ILE CG1 C 27.899 . 2 639 59 59 ILE CG2 C 18.204 . 1 640 59 59 ILE N N 129.963 . 1 641 60 60 HIS H H 9.001 . 1 642 60 60 HIS HA H 5.574 . 1 643 60 60 HIS HB2 H 3.038 . 1 644 60 60 HIS HB3 H 3.241 . 1 645 60 60 HIS HD2 H 7.243 . 3 646 60 60 HIS HE2 H 8.168 . 3 647 60 60 HIS C C 173.400 . 1 648 60 60 HIS CA C 54.932 . 1 649 60 60 HIS CB C 31.126 . 1 650 60 60 HIS CD2 C 120.583 . 1 651 60 60 HIS CE1 C 136.543 . 1 652 60 60 HIS CG C 132.341 . 1 653 60 60 HIS N N 128.728 . 1 654 61 61 ASN H H 8.824 . 1 655 61 61 ASN HA H 5.352 . 1 656 61 61 ASN HB2 H 2.641 . 1 657 61 61 ASN HB3 H 2.641 . 1 658 61 61 ASN C C 173.500 . 1 659 61 61 ASN CA C 52.534 . 1 660 61 61 ASN CB C 44.557 . 1 661 61 61 ASN N N 124.293 . 1 662 62 62 GLU H H 8.852 . 1 663 62 62 GLU HA H 5.193 . 1 664 62 62 GLU HB2 H 2.028 . 1 665 62 62 GLU HG2 H 2.107 . 1 666 62 62 GLU HG3 H 2.247 . 1 667 62 62 GLU C C 174.300 . 1 668 62 62 GLU CA C 55.347 . 1 669 62 62 GLU CB C 32.174 . 1 670 62 62 GLU CG C 36.299 . 1 671 62 62 GLU N N 123.422 . 1 672 63 63 PHE H H 8.458 . 1 673 63 63 PHE HA H 5.122 . 1 674 63 63 PHE HB2 H 3.265 . 1 675 63 63 PHE HB3 H 3.324 . 1 676 63 63 PHE HD1 H 6.658 . 3 677 63 63 PHE HD2 H 6.658 . 3 678 63 63 PHE HE1 H 6.957 . 3 679 63 63 PHE HE2 H 6.957 . 3 680 63 63 PHE C C 173.200 . 1 681 63 63 PHE CA C 55.872 . 1 682 63 63 PHE CB C 41.133 . 1 683 63 63 PHE CD1 C 132.483 . 3 684 63 63 PHE CD2 C 132.483 . 3 685 63 63 PHE CE1 C 130.296 . 3 686 63 63 PHE CE2 C 130.296 . 3 687 63 63 PHE CG C 138.673 . 1 688 63 63 PHE N N 121.295 . 1 689 64 64 THR H H 8.697 . 1 690 64 64 THR HA H 5.024 . 1 691 64 64 THR HB H 3.937 . 1 692 64 64 THR HG2 H 1.234 . 1 693 64 64 THR C C 175.500 . 1 694 64 64 THR CA C 61.252 . 1 695 64 64 THR CB C 70.056 . 1 696 64 64 THR CG2 C 21.996 . 1 697 64 64 THR N N 119.857 . 1 698 65 65 LEU H H 9.591 . 1 699 65 65 LEU HA H 4.400 . 1 700 65 65 LEU HB2 H 1.592 . 1 701 65 65 LEU HB3 H 1.924 . 1 702 65 65 LEU HD1 H 0.930 . 1 703 65 65 LEU HD2 H 0.940 . 1 704 65 65 LEU HG H 0.989 . 1 705 65 65 LEU C C 178.000 . 1 706 65 65 LEU CA C 57.000 . 1 707 65 65 LEU CB C 42.189 . 1 708 65 65 LEU CD1 C 25.000 . . 709 65 65 LEU CD2 C 24.000 . . 710 65 65 LEU CG C 26.400 . 1 711 65 65 LEU N N 131.886 . 1 712 66 66 GLY H H 9.413 . 1 713 66 66 GLY HA2 H 3.457 . 1 714 66 66 GLY HA3 H 4.414 . 1 715 66 66 GLY C C 173.600 . 1 716 66 66 GLY CA C 45.706 . 1 717 66 66 GLY N N 111.170 . 1 718 67 67 GLU H H 7.896 . 1 719 67 67 GLU HA H 4.816 . 1 720 67 67 GLU HB2 H 1.927 . 1 721 67 67 GLU HB3 H 2.194 . 1 722 67 67 GLU HG2 H 2.260 . . 723 67 67 GLU C C 175.500 . 1 724 67 67 GLU CA C 54.300 . 1 725 67 67 GLU CB C 32.368 . 1 726 67 67 GLU CG C 36.100 . 1 727 67 67 GLU N N 121.466 . 1 728 68 68 GLU H H 8.939 . 1 729 68 68 GLU HA H 4.435 . 1 730 68 68 GLU HB2 H 1.980 . . 731 68 68 GLU HB3 H 2.040 . 1 732 68 68 GLU HG2 H 2.154 . 1 733 68 68 GLU C C 175.900 . 1 734 68 68 GLU CA C 58.000 . 1 735 68 68 GLU CB C 30.355 . 1 736 68 68 GLU CG C 37.766 . 1 737 68 68 GLU N N 127.110 . 1 738 69 69 CYS H H 9.266 . 1 739 69 69 CYS HA H 5.159 . 1 740 69 69 CYS HB2 H 3.096 . 1 741 69 69 CYS HB3 H 3.436 . 1 742 69 69 CYS C C 172.400 . 1 743 69 69 CYS CA C 56.400 . 1 744 69 69 CYS CB C 32.442 . 1 745 69 69 CYS N N 125.945 . 1 746 70 70 GLU H H 8.381 . 1 747 70 70 GLU HA H 4.962 . 1 748 70 70 GLU HB2 H 1.916 . 1 749 70 70 GLU HG2 H 1.994 . 1 750 70 70 GLU HG3 H 2.169 . 1 751 70 70 GLU C C 175.400 . 1 752 70 70 GLU CA C 55.625 . 1 753 70 70 GLU CB C 31.579 . 1 754 70 70 GLU CG C 37.824 . 1 755 70 70 GLU N N 121.559 . 1 756 71 71 LEU H H 9.026 . 1 757 71 71 LEU HA H 4.577 . 1 758 71 71 LEU HB2 H 1.068 . 1 759 71 71 LEU HB3 H 1.142 . 1 760 71 71 LEU HD1 H 0.323 . 1 761 71 71 LEU HD2 H 0.426 . 1 762 71 71 LEU HG H 1.343 . 1 763 71 71 LEU C C 175.600 . 1 764 71 71 LEU CA C 53.308 . 1 765 71 71 LEU CB C 44.700 . 1 766 71 71 LEU CD1 C 25.289 . 1 767 71 71 LEU CD2 C 23.983 . 1 768 71 71 LEU CG C 26.594 . 1 769 71 71 LEU N N 128.621 . 1 770 72 72 GLU H H 9.110 . 1 771 72 72 GLU HA H 4.792 . 1 772 72 72 GLU HB2 H 1.959 . 2 773 72 72 GLU HG2 H 2.130 . 2 774 72 72 GLU HG3 H 2.473 . 2 775 72 72 GLU CA C 55.908 . 1 776 72 72 GLU CB C 31.057 . 1 777 72 72 GLU CG C 36.661 . 1 778 72 72 GLU N N 125.642 . 1 779 73 73 THR H H 8.409 . 1 780 73 73 THR HA H 4.457 . 1 781 73 73 THR HB H 4.443 . 1 782 73 73 THR HG2 H 0.947 . 1 783 73 73 THR CA C 60.487 . 1 784 73 73 THR CB C 71.288 . 1 785 73 73 THR CG2 C 21.933 . 1 786 73 73 THR N N 117.479 . 1 787 74 74 MET H H 8.355 . 1 788 74 74 MET HA H 4.440 . 1 789 74 74 MET C C 175.900 . 1 790 74 74 MET CA C 58.700 . 1 791 74 74 MET CB C 32.333 . 1 792 74 74 MET CG C 32.800 . 1 793 74 74 MET N N 116.649 . 1 794 75 75 THR H H 7.455 . 1 795 75 75 THR HA H 4.266 . 1 796 75 75 THR HB H 4.545 . 1 797 75 75 THR HG2 H 1.102 . 1 798 75 75 THR C C 175.800 . 1 799 75 75 THR CA C 61.600 . 1 800 75 75 THR CB C 68.935 . 1 801 75 75 THR CG2 C 22.517 . 1 802 75 75 THR N N 106.741 . 1 803 76 76 GLY H H 7.823 . 1 804 76 76 GLY HA2 H 3.917 . 1 805 76 76 GLY HA3 H 4.388 . 1 806 76 76 GLY C C 173.900 . 1 807 76 76 GLY CA C 45.200 . 1 808 76 76 GLY N N 112.522 . 1 809 77 77 GLU H H 7.353 . 1 810 77 77 GLU HA H 4.251 . 1 811 77 77 GLU HB2 H 1.829 . 1 812 77 77 GLU HG2 H 2.114 . 1 813 77 77 GLU HG3 H 2.225 . 1 814 77 77 GLU C C 175.500 . 1 815 77 77 GLU CA C 56.137 . 1 816 77 77 GLU CB C 30.798 . 1 817 77 77 GLU CG C 36.291 . 1 818 77 77 GLU N N 123.162 . 1 819 78 78 LYS H H 8.533 . 1 820 78 78 LYS HA H 5.271 . 1 821 78 78 LYS HB2 H 1.525 . 1 822 78 78 LYS HB3 H 1.764 . 1 823 78 78 LYS HD2 H 1.610 . . 824 78 78 LYS HE2 H 3.010 . . 825 78 78 LYS HG2 H 1.299 . 1 826 78 78 LYS HG3 H 1.525 . 1 827 78 78 LYS C C 176.500 . 1 828 78 78 LYS CA C 55.012 . 1 829 78 78 LYS CB C 33.500 . 1 830 78 78 LYS CD C 29.100 . 1 831 78 78 LYS CE C 42.500 . 1 832 78 78 LYS CG C 25.500 . 1 833 78 78 LYS N N 125.977 . 1 834 79 79 VAL H H 8.846 . 1 835 79 79 VAL HA H 4.658 . 1 836 79 79 VAL HB H 2.091 . 1 837 79 79 VAL HG1 H 0.583 . 1 838 79 79 VAL HG2 H 0.820 . 1 839 79 79 VAL C C 174.200 . 1 840 79 79 VAL CA C 58.900 . 1 841 79 79 VAL CB C 35.202 . 1 842 79 79 VAL CG1 C 19.351 . 1 843 79 79 VAL CG2 C 21.765 . 1 844 79 79 VAL N N 120.863 . 1 845 80 80 LYS H H 8.290 . 1 846 80 80 LYS HA H 5.065 . 1 847 80 80 LYS HB2 H 1.695 . 1 848 80 80 LYS HB3 H 1.812 . 1 849 80 80 LYS HD2 H 1.556 . 1 850 80 80 LYS HE2 H 2.972 . 1 851 80 80 LYS HG2 H 1.524 . 2 852 80 80 LYS HG3 H 1.400 . . 853 80 80 LYS C C 176.400 . 1 854 80 80 LYS CA C 55.700 . 1 855 80 80 LYS CB C 32.872 . 1 856 80 80 LYS CD C 29.100 . 1 857 80 80 LYS CE C 41.700 . 1 858 80 80 LYS CG C 25.300 . 1 859 80 80 LYS N N 124.719 . 1 860 81 81 ALA H H 8.948 . 1 861 81 81 ALA HA H 4.821 . 1 862 81 81 ALA HB H 1.271 . 1 863 81 81 ALA C C 174.900 . 1 864 81 81 ALA CA C 51.500 . 1 865 81 81 ALA CB C 23.242 . 1 866 81 81 ALA N N 128.830 . 1 867 82 82 VAL H H 8.291 . 1 868 82 82 VAL HA H 4.292 . 1 869 82 82 VAL HB H 1.917 . 1 870 82 82 VAL HG1 H 0.725 . 1 871 82 82 VAL HG2 H 0.872 . 1 872 82 82 VAL C C 176.100 . 1 873 82 82 VAL CA C 61.803 . 1 874 82 82 VAL CB C 34.486 . 1 875 82 82 VAL CG1 C 20.780 . 1 876 82 82 VAL CG2 C 20.997 . 1 877 82 82 VAL N N 119.786 . 1 878 83 83 VAL H H 9.747 . 1 879 83 83 VAL HA H 4.505 . 1 880 83 83 VAL HB H 1.576 . 1 881 83 83 VAL HG1 H -0.114 . 1 882 83 83 VAL HG2 H 0.571 . 1 883 83 83 VAL C C 174.900 . 1 884 83 83 VAL CA C 61.050 . 1 885 83 83 VAL CB C 31.433 . 1 886 83 83 VAL CG1 C 18.544 . 1 887 83 83 VAL CG2 C 21.933 . 1 888 83 83 VAL N N 136.327 . 1 889 84 84 LYS H H 8.855 . 1 890 84 84 LYS HA H 4.902 . 1 891 84 84 LYS HB2 H 1.794 . 1 892 84 84 LYS HD2 H 1.700 . . 893 84 84 LYS HE2 H 2.960 . . 894 84 84 LYS HG2 H 1.385 . 1 895 84 84 LYS C C 175.600 . 1 896 84 84 LYS CA C 54.600 . 1 897 84 84 LYS CB C 36.515 . 1 898 84 84 LYS CD C 29.577 . 1 899 84 84 LYS CE C 42.300 . 1 900 84 84 LYS CG C 25.289 . 1 901 84 84 LYS N N 127.284 . 1 902 85 85 MET H H 8.727 . 1 903 85 85 MET HA H 5.519 . 1 904 85 85 MET HB2 H 2.003 . 1 905 85 85 MET HB3 H 2.400 . 1 906 85 85 MET HG2 H 2.610 . 1 907 85 85 MET HG3 H 2.805 . 1 908 85 85 MET C C 177.300 . 1 909 85 85 MET CA C 53.785 . 1 910 85 85 MET CB C 32.062 . 1 911 85 85 MET CG C 32.225 . 1 912 85 85 MET N N 121.437 . 1 913 86 86 GLU H H 8.762 . 1 914 86 86 GLU HA H 4.592 . 1 915 86 86 GLU HB2 H 1.770 . 1 916 86 86 GLU HB3 H 1.926 . 1 917 86 86 GLU HG2 H 2.113 . 1 918 86 86 GLU HG3 H 2.164 . 1 919 86 86 GLU C C 175.900 . 1 920 86 86 GLU CA C 55.971 . 1 921 86 86 GLU CB C 32.200 . 1 922 86 86 GLU CG C 36.714 . 1 923 86 86 GLU N N 128.824 . 1 924 87 87 GLY H H 8.449 . 1 925 87 87 GLY HA2 H 3.768 . 1 926 87 87 GLY HA3 H 4.170 . 1 927 87 87 GLY C C 173.900 . 1 928 87 87 GLY CA C 45.645 . 1 929 87 87 GLY N N 114.986 . 1 930 88 88 ASP H H 8.550 . 1 931 88 88 ASP HA H 4.751 . 1 932 88 88 ASP HB2 H 2.724 . 1 933 88 88 ASP C C 178.000 . 1 934 88 88 ASP CA C 55.241 . 1 935 88 88 ASP CB C 41.916 . 1 936 88 88 ASP N N 120.239 . 1 937 89 89 ASN H H 8.134 . 1 938 89 89 ASN HA H 5.164 . 1 939 89 89 ASN HB2 H 2.837 . 1 940 89 89 ASN HB3 H 3.789 . 1 941 89 89 ASN C C 174.300 . 1 942 89 89 ASN CA C 53.300 . 1 943 89 89 ASN CB C 40.000 . 1 944 89 89 ASN N N 116.100 . 1 945 90 90 LYS H H 7.350 . 1 946 90 90 LYS HA H 5.761 . 1 947 90 90 LYS HB2 H 1.583 . 1 948 90 90 LYS HB3 H 2.166 . 1 949 90 90 LYS HD2 H 1.588 . 1 950 90 90 LYS HE2 H 2.890 . . 951 90 90 LYS HG2 H 1.502 . 2 952 90 90 LYS HG3 H 1.164 . 1 953 90 90 LYS C C 175.500 . 1 954 90 90 LYS CA C 54.932 . 1 955 90 90 LYS CB C 36.393 . 1 956 90 90 LYS CD C 29.700 . 1 957 90 90 LYS CE C 44.900 . 1 958 90 90 LYS CG C 25.300 . 1 959 90 90 LYS N N 119.647 . 1 960 91 91 MET H H 8.963 . 1 961 91 91 MET HA H 5.270 . 1 962 91 91 MET HB2 H 1.752 . 1 963 91 91 MET HG2 H 2.188 . 2 964 91 91 MET HG3 H 2.319 . 1 965 91 91 MET C C 175.100 . 1 966 91 91 MET CA C 54.962 . 1 967 91 91 MET CB C 36.235 . 1 968 91 91 MET CG C 32.915 . 1 969 91 91 MET N N 123.256 . 1 970 92 92 VAL H H 9.519 . 1 971 92 92 VAL HA H 5.278 . 1 972 92 92 VAL HB H 2.000 . 1 973 92 92 VAL HG2 H 0.947 . 1 974 92 92 VAL C C 178.300 . 1 975 92 92 VAL CA C 60.732 . 1 976 92 92 VAL CB C 35.750 . 1 977 92 92 VAL CG2 C 21.438 . 1 978 92 92 VAL N N 126.780 . 1 979 93 93 THR H H 8.815 . 1 980 93 93 THR HA H 4.813 . 1 981 93 93 THR HB H 4.085 . 1 982 93 93 THR HG2 H 0.950 . . 983 93 93 THR C C 172.000 . 1 984 93 93 THR CA C 61.520 . 1 985 93 93 THR CB C 69.600 . 1 986 93 93 THR CG2 C 18.200 . 1 987 93 93 THR N N 121.586 . 1 988 94 94 THR H H 8.003 . 1 989 94 94 THR HA H 5.440 . 1 990 94 94 THR HB H 4.015 . 1 991 94 94 THR HG2 H 1.087 . 1 992 94 94 THR C C 173.200 . 1 993 94 94 THR CA C 59.800 . 1 994 94 94 THR CB C 71.500 . 1 995 94 94 THR CG2 C 20.208 . 1 996 94 94 THR N N 119.863 . 1 997 95 95 PHE H H 8.096 . 1 998 95 95 PHE HA H 4.854 . 1 999 95 95 PHE HB2 H 2.751 . 1 1000 95 95 PHE HB3 H 3.259 . 1 1001 95 95 PHE HD1 H 6.778 . 3 1002 95 95 PHE HD2 H 6.778 . 3 1003 95 95 PHE HE1 H 7.058 . 3 1004 95 95 PHE HE2 H 7.058 . 3 1005 95 95 PHE C C 173.600 . 1 1006 95 95 PHE CA C 55.925 . 1 1007 95 95 PHE CB C 39.900 . 1 1008 95 95 PHE CD1 C 133.097 . 3 1009 95 95 PHE CD2 C 133.097 . 3 1010 95 95 PHE CE1 C 130.229 . 3 1011 95 95 PHE CE2 C 130.229 . 3 1012 95 95 PHE CG C 137.517 . 1 1013 95 95 PHE N N 122.965 . 1 1014 96 96 LYS H H 9.400 . 1 1015 96 96 LYS HA H 3.927 . 1 1016 96 96 LYS HB2 H 1.892 . 1 1017 96 96 LYS HB3 H 2.192 . 1 1018 96 96 LYS HD2 H 1.710 . . 1019 96 96 LYS HD3 H 1.799 . 1 1020 96 96 LYS HE2 H 3.030 . . 1021 96 96 LYS HG2 H 1.590 . . 1022 96 96 LYS HG3 H 1.685 . 1 1023 96 96 LYS C C 175.700 . 1 1024 96 96 LYS CA C 56.820 . 1 1025 96 96 LYS CB C 30.308 . 1 1026 96 96 LYS CD C 28.644 . 1 1027 96 96 LYS CE C 41.700 . 1 1028 96 96 LYS CG C 25.475 . 1 1029 96 96 LYS N N 121.571 . 1 1030 97 97 GLY H H 8.411 . 1 1031 97 97 GLY HA2 H 3.527 . 1 1032 97 97 GLY HA3 H 4.040 . 1 1033 97 97 GLY C C 173.700 . 1 1034 97 97 GLY CA C 45.500 . 1 1035 97 97 GLY N N 106.808 . 1 1036 98 98 ILE H H 8.342 . 1 1037 98 98 ILE HA H 4.484 . 1 1038 98 98 ILE HB H 1.547 . 1 1039 98 98 ILE HD1 H 0.676 . 1 1040 98 98 ILE HG12 H 1.527 . 1 1041 98 98 ILE HG2 H 0.890 . 1 1042 98 98 ILE C C 175.900 . 1 1043 98 98 ILE CA C 60.400 . 1 1044 98 98 ILE CB C 39.084 . 1 1045 98 98 ILE CD1 C 18.204 . 1 1046 98 98 ILE CG1 C 28.000 . . 1047 98 98 ILE CG2 C 15.010 . 1 1048 98 98 ILE N N 125.513 . 1 1049 99 99 LYS H H 8.128 . 1 1050 99 99 LYS HA H 4.767 . 1 1051 99 99 LYS HB2 H 1.716 . 1 1052 99 99 LYS HB3 H 1.852 . 1 1053 99 99 LYS HD2 H 1.630 . . 1054 99 99 LYS HE2 H 2.812 . 1 1055 99 99 LYS HG2 H 1.268 . 1 1056 99 99 LYS HG3 H 1.338 . 1 1057 99 99 LYS C C 175.700 . 1 1058 99 99 LYS CA C 55.532 . 1 1059 99 99 LYS CB C 33.965 . 1 1060 99 99 LYS CD C 29.208 . 1 1061 99 99 LYS CE C 42.400 . 1 1062 99 99 LYS CG C 25.400 . 1 1063 99 99 LYS N N 129.053 . 1 1064 100 100 SER H H 8.958 . 1 1065 100 100 SER HA H 5.453 . 1 1066 100 100 SER HB2 H 3.427 . 1 1067 100 100 SER HB3 H 3.807 . 1 1068 100 100 SER C C 173.600 . 1 1069 100 100 SER CA C 55.869 . 1 1070 100 100 SER CB C 64.365 . 1 1071 100 100 SER N N 124.224 . 1 1072 101 101 VAL H H 9.017 . 1 1073 101 101 VAL HA H 4.701 . 1 1074 101 101 VAL HB H 2.003 . 1 1075 101 101 VAL HG1 H 0.730 . . 1076 101 101 VAL HG2 H 0.899 . 1 1077 101 101 VAL C C 175.800 . 1 1078 101 101 VAL CA C 61.730 . 1 1079 101 101 VAL CB C 35.045 . 1 1080 101 101 VAL CG1 C 21.373 . 1 1081 101 101 VAL CG2 C 20.441 . 1 1082 101 101 VAL N N 130.608 . 1 1083 102 102 THR H H 9.120 . 1 1084 102 102 THR HA H 4.983 . 1 1085 102 102 THR HB H 3.907 . 1 1086 102 102 THR HG2 H 0.652 . 1 1087 102 102 THR C C 172.200 . 1 1088 102 102 THR CA C 62.037 . 1 1089 102 102 THR CB C 69.935 . 1 1090 102 102 THR CG2 C 21.746 . 1 1091 102 102 THR N N 128.845 . 1 1092 103 103 GLU H H 9.067 . 1 1093 103 103 GLU HA H 5.130 . 1 1094 103 103 GLU HB2 H 1.716 . 1 1095 103 103 GLU HG2 H 1.982 . 1 1096 103 103 GLU HG3 H 2.065 . 1 1097 103 103 GLU C C 174.400 . 1 1098 103 103 GLU CA C 54.481 . 1 1099 103 103 GLU CB C 33.135 . 1 1100 103 103 GLU CG C 36.863 . 1 1101 103 103 GLU N N 129.960 . 1 1102 104 104 PHE H H 8.748 . 1 1103 104 104 PHE HA H 4.605 . 1 1104 104 104 PHE HB2 H 2.403 . 1 1105 104 104 PHE HB3 H 2.752 . 1 1106 104 104 PHE HD1 H 6.848 . 3 1107 104 104 PHE HD2 H 6.848 . 3 1108 104 104 PHE HE1 H 6.957 . 3 1109 104 104 PHE HE2 H 6.957 . 3 1110 104 104 PHE C C 175.100 . 1 1111 104 104 PHE CA C 57.300 . 1 1112 104 104 PHE CB C 40.400 . 1 1113 104 104 PHE CD1 C 132.302 . 3 1114 104 104 PHE CD2 C 132.302 . 3 1115 104 104 PHE CE1 C 130.296 . 3 1116 104 104 PHE CE2 C 130.296 . 3 1117 104 104 PHE CG C 138.629 . 1 1118 104 104 PHE N N 128.264 . 1 1119 105 105 ASN H H 8.263 . 1 1120 105 105 ASN HA H 5.032 . 1 1121 105 105 ASN HB2 H 2.563 . 1 1122 105 105 ASN HB3 H 2.821 . 1 1123 105 105 ASN C C 175.300 . 1 1124 105 105 ASN CA C 52.454 . 1 1125 105 105 ASN CB C 40.252 . 1 1126 105 105 ASN N N 125.773 . 1 1127 106 106 GLY H H 7.848 . 1 1128 106 106 GLY HA2 H 3.583 . 1 1129 106 106 GLY HA3 H 4.225 . 1 1130 106 106 GLY C C 174.400 . 1 1131 106 106 GLY CA C 47.800 . 1 1132 106 106 GLY N N 114.262 . 1 1133 107 107 ASP H H 8.627 . 1 1134 107 107 ASP HA H 4.829 . 1 1135 107 107 ASP HB2 H 2.912 . 1 1136 107 107 ASP HB3 H 2.958 . 1 1137 107 107 ASP C C 175.200 . 1 1138 107 107 ASP CA C 54.733 . 1 1139 107 107 ASP CB C 41.623 . 1 1140 107 107 ASP N N 127.714 . 1 1141 108 108 THR H H 7.746 . 1 1142 108 108 THR HA H 5.380 . 1 1143 108 108 THR HB H 4.094 . 1 1144 108 108 THR HG2 H 1.162 . 1 1145 108 108 THR C C 173.600 . 1 1146 108 108 THR CA C 60.949 . 1 1147 108 108 THR CB C 72.481 . 1 1148 108 108 THR CG2 C 21.435 . 1 1149 108 108 THR N N 114.284 . 1 1150 109 109 ILE H H 8.558 . 1 1151 109 109 ILE HA H 4.861 . 1 1152 109 109 ILE HB H 1.032 . 1 1153 109 109 ILE HD1 H -0.056 . 1 1154 109 109 ILE HG12 H 0.172 . 1 1155 109 109 ILE HG13 H 0.953 . 1 1156 109 109 ILE HG2 H 0.184 . 2 1157 109 109 ILE CA C 59.262 . 1 1158 109 109 ILE CB C 41.328 . 1 1159 109 109 ILE CD1 C 12.983 . 1 1160 109 109 ILE CG1 C 26.780 . 1 1161 109 109 ILE CG2 C 18.390 . 1 1162 109 109 ILE N N 122.008 . 1 1163 110 110 THR H H 8.759 . 1 1164 110 110 THR HA H 4.985 . 1 1165 110 110 THR HB H 3.917 . 1 1166 110 110 THR HG2 H 1.040 . 1 1167 110 110 THR C C 173.800 . 1 1168 110 110 THR CA C 61.596 . 1 1169 110 110 THR CB C 70.597 . 1 1170 110 110 THR CG2 C 21.400 . 1 1171 110 110 THR N N 123.462 . 1 1172 111 111 ASN H H 9.291 . 1 1173 111 111 ASN HA H 5.773 . 1 1174 111 111 ASN HB2 H 2.476 . 1 1175 111 111 ASN HB3 H 2.611 . 1 1176 111 111 ASN C C 173.600 . 1 1177 111 111 ASN CA C 51.916 . 1 1178 111 111 ASN CB C 42.702 . 1 1179 111 111 ASN N N 129.433 . 1 1180 112 112 THR H H 9.063 . 1 1181 112 112 THR HA H 5.148 . 1 1182 112 112 THR HB H 3.839 . 1 1183 112 112 THR HG2 H 1.008 . 1 1184 112 112 THR C C 174.100 . 1 1185 112 112 THR CA C 60.946 . 1 1186 112 112 THR CB C 70.463 . 1 1187 112 112 THR CG2 C 21.933 . 1 1188 112 112 THR N N 122.573 . 1 1189 113 113 MET H H 9.172 . 1 1190 113 113 MET HA H 5.246 . 1 1191 113 113 MET HB2 H 1.528 . 1 1192 113 113 MET HB3 H 1.900 . . 1193 113 113 MET HG2 H 2.360 . . 1194 113 113 MET HG3 H 2.576 . 1 1195 113 113 MET C C 174.000 . 1 1196 113 113 MET CA C 54.659 . 1 1197 113 113 MET CB C 37.374 . 1 1198 113 113 MET CG C 33.200 . 1 1199 113 113 MET N N 127.964 . 1 1200 114 114 THR H H 8.653 . 1 1201 114 114 THR HA H 5.329 . 1 1202 114 114 THR HB H 4.005 . 1 1203 114 114 THR HG2 H 1.186 . 1 1204 114 114 THR C C 173.600 . 1 1205 114 114 THR CA C 61.688 . 1 1206 114 114 THR CB C 70.928 . 1 1207 114 114 THR CG2 C 21.373 . 1 1208 114 114 THR N N 120.212 . 1 1209 115 115 LEU H H 8.892 . 1 1210 115 115 LEU HA H 4.692 . 1 1211 115 115 LEU HB2 H 1.317 . 1 1212 115 115 LEU HB3 H 1.747 . 1 1213 115 115 LEU HD1 H 0.550 . 1 1214 115 115 LEU HD2 H 0.709 . 1 1215 115 115 LEU HG H 1.421 . 1 1216 115 115 LEU C C 176.200 . 1 1217 115 115 LEU CA C 54.079 . 1 1218 115 115 LEU CB C 44.836 . 1 1219 115 115 LEU CD1 C 25.848 . 1 1220 115 115 LEU CD2 C 23.013 . 1 1221 115 115 LEU CG C 27.750 . 1 1222 115 115 LEU N N 132.156 . 1 1223 116 116 GLY H H 9.054 . 1 1224 116 116 GLY HA2 H 3.627 . 1 1225 116 116 GLY HA3 H 3.953 . 1 1226 116 116 GLY C C 174.400 . 1 1227 116 116 GLY CA C 47.550 . 1 1228 116 116 GLY N N 119.834 . 1 1229 117 117 ASP H H 8.629 . 1 1230 117 117 ASP HA H 4.623 . 1 1231 117 117 ASP HB2 H 2.701 . 1 1232 117 117 ASP HB3 H 2.759 . 1 1233 117 117 ASP C C 175.800 . 1 1234 117 117 ASP CA C 54.100 . 1 1235 117 117 ASP CB C 41.100 . 1 1236 117 117 ASP N N 128.213 . 1 1237 118 118 ILE H H 8.291 . 1 1238 118 118 ILE HA H 4.086 . 1 1239 118 118 ILE HB H 2.265 . 1 1240 118 118 ILE HD1 H 0.827 . 1 1241 118 118 ILE HG12 H 1.097 . 1 1242 118 118 ILE HG13 H 1.732 . 1 1243 118 118 ILE HG2 H 1.006 . 1 1244 118 118 ILE C C 174.400 . 1 1245 118 118 ILE CA C 61.700 . 1 1246 118 118 ILE CB C 39.100 . 1 1247 118 118 ILE CD1 C 13.916 . 1 1248 118 118 ILE CG1 C 27.308 . 1 1249 118 118 ILE CG2 C 18.088 . 1 1250 118 118 ILE N N 124.553 . 1 1251 119 119 VAL H H 8.335 . 1 1252 119 119 VAL HA H 4.642 . 1 1253 119 119 VAL HB H 1.996 . 1 1254 119 119 VAL HG1 H 0.893 . 1 1255 119 119 VAL HG2 H 0.735 . 1 1256 119 119 VAL C C 176.200 . 1 1257 119 119 VAL CA C 61.407 . 1 1258 119 119 VAL CB C 32.586 . 1 1259 119 119 VAL CG1 C 20.200 . . 1260 119 119 VAL CG2 C 21.500 . . 1261 119 119 VAL N N 129.351 . 1 1262 120 120 TYR H H 9.149 . 1 1263 120 120 TYR HA H 5.243 . 1 1264 120 120 TYR HB2 H 2.110 . 1 1265 120 120 TYR HB3 H 2.569 . 1 1266 120 120 TYR HD1 H 6.780 . 3 1267 120 120 TYR HD2 H 6.780 . 3 1268 120 120 TYR HE1 H 6.666 . 3 1269 120 120 TYR HE2 H 6.666 . 3 1270 120 120 TYR C C 174.100 . 1 1271 120 120 TYR CA C 55.046 . 1 1272 120 120 TYR CB C 39.600 . 1 1273 120 120 TYR CD1 C 133.129 . 3 1274 120 120 TYR CD2 C 133.129 . 3 1275 120 120 TYR CE1 C 116.856 . 3 1276 120 120 TYR CE2 C 116.856 . 3 1277 120 120 TYR CG C 129.799 . 1 1278 120 120 TYR N N 133.035 . 1 1279 121 121 LYS H H 7.900 . 1 1280 121 121 LYS HA H 5.108 . 1 1281 121 121 LYS HB2 H 1.463 . 1 1282 121 121 LYS HB3 H 1.531 . 1 1283 121 121 LYS HD2 H 1.501 . 2 1284 121 121 LYS HD3 H 1.470 . . 1285 121 121 LYS HE2 H 2.710 . . 1286 121 121 LYS HG2 H 1.098 . 1 1287 121 121 LYS HG3 H 1.222 . 1 1288 121 121 LYS C C 174.400 . 1 1289 121 121 LYS CA C 54.357 . 1 1290 121 121 LYS CB C 37.200 . 1 1291 121 121 LYS CD C 29.343 . 1 1292 121 121 LYS CE C 41.900 . 1 1293 121 121 LYS CG C 25.217 . 1 1294 121 121 LYS N N 130.466 . 1 1295 122 122 ARG H H 8.748 . 1 1296 122 122 ARG HA H 4.999 . 1 1297 122 122 ARG HB2 H 1.748 . 2 1298 122 122 ARG HB3 H 1.692 . 2 1299 122 122 ARG HD2 H 3.210 . 2 1300 122 122 ARG HG2 H 1.623 . 2 1301 122 122 ARG HG3 H 1.531 . 2 1302 122 122 ARG CA C 54.826 . 1 1303 122 122 ARG CB C 34.944 . 1 1304 122 122 ARG CD C 44.119 . 1 1305 122 122 ARG CG C 27.184 . 1 1306 122 122 ARG N N 126.823 . 1 1307 123 123 VAL H H 8.851 . 1 1308 123 123 VAL HA H 4.893 . 1 1309 123 123 VAL HB H 2.108 . 1 1310 123 123 VAL HG2 H 0.899 . 1 1311 123 123 VAL C C 176.100 . 1 1312 123 123 VAL CA C 62.019 . 1 1313 123 123 VAL CB C 33.700 . 1 1314 123 123 VAL CG2 C 20.885 . 1 1315 123 123 VAL N N 131.204 . 1 1316 124 124 SER H H 9.274 . 1 1317 124 124 SER HA H 5.462 . 1 1318 124 124 SER HB2 H 3.464 . 1 1319 124 124 SER C C 171.600 . 1 1320 124 124 SER CA C 57.433 . 1 1321 124 124 SER CB C 65.700 . 1 1322 124 124 SER N N 124.220 . 1 1323 125 125 LYS H H 8.761 . 1 1324 125 125 LYS HA H 5.455 . 1 1325 125 125 LYS HB2 H 1.770 . 1 1326 125 125 LYS HB3 H 1.913 . 1 1327 125 125 LYS HD2 H 1.714 . 1 1328 125 125 LYS HE2 H 3.003 . 1 1329 125 125 LYS HG2 H 1.584 . 2 1330 125 125 LYS HG3 H 1.510 . 1 1331 125 125 LYS C C 175.600 . 1 1332 125 125 LYS CA C 54.217 . 1 1333 125 125 LYS CB C 36.511 . 1 1334 125 125 LYS CD C 29.300 . 1 1335 125 125 LYS CE C 42.400 . 1 1336 125 125 LYS CG C 24.900 . 1 1337 125 125 LYS N N 125.413 . 1 1338 126 126 ARG H H 8.898 . 1 1339 126 126 ARG HA H 4.266 . 1 1340 126 126 ARG HB2 H 1.793 . 1 1341 126 126 ARG HD2 H 3.165 . 1 1342 126 126 ARG HD3 H 3.385 . 1 1343 126 126 ARG HG2 H 1.417 . 1 1344 126 126 ARG HG3 H 1.668 . 1 1345 126 126 ARG C C 175.800 . 1 1346 126 126 ARG CA C 57.634 . 1 1347 126 126 ARG CB C 31.604 . 1 1348 126 126 ARG CD C 43.452 . 1 1349 126 126 ARG CG C 27.153 . 1 1350 126 126 ARG N N 129.717 . 1 1351 127 127 ILE H H 8.356 . 1 1352 127 127 ILE HA H 4.200 . 1 1353 127 127 ILE HB H 1.873 . 1 1354 127 127 ILE HD1 H 0.840 . . 1355 127 127 ILE HG12 H 0.856 . 1 1356 127 127 ILE HG13 H 1.311 . 1 1357 127 127 ILE HG2 H 0.930 . . 1358 127 127 ILE C C 180.900 . 1 1359 127 127 ILE CA C 63.000 . 1 1360 127 127 ILE CB C 40.200 . 1 1361 127 127 ILE CD1 C 14.480 . 1 1362 127 127 ILE CG1 C 27.339 . 1 1363 127 127 ILE CG2 C 18.739 . 1 1364 127 127 ILE N N 132.158 . 1 stop_ save_