data_16120 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C, and 15N resonance assignment of the Autophagy-related Protein Atg 8 ; _BMRB_accession_number 16120 _BMRB_flat_file_name bmr16120.str _Entry_type original _Submission_date 2009-01-14 _Accession_date 2009-01-14 _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 Schwarten Melanie . . 2 Stoldt Matthias . . 3 Mohrluder Jeannine . . 4 Willbold Dieter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 618 "13C chemical shifts" 475 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-20 update BMRB 'added PubMed ID' 2009-06-05 update BMRB 'completed entry citation' 2009-04-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific 1H, 13C, and 15N resonance assignment of the autophagy-related protein Atg8' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636965 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schwarten Melanie . . 2 Stoldt Matthias . . 3 Mohrluder Jeannine . . 4 Willbold Dieter . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 137 _Page_last 139 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Atg8 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Atg8 $Atg8 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Atg8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Atg8 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSMKSTFKSEYPFEKRKAES ERIADRFKNRIPVICEKAEK SDIPEIDKRKYLVPADLTVG QFVYVIRKRIMLPPEKAIFI FVNDTLPPTAALMSAIYQEH KDKDGFLYVTYSGENTFGR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 LYS 5 SER 6 THR 7 PHE 8 LYS 9 SER 10 GLU 11 TYR 12 PRO 13 PHE 14 GLU 15 LYS 16 ARG 17 LYS 18 ALA 19 GLU 20 SER 21 GLU 22 ARG 23 ILE 24 ALA 25 ASP 26 ARG 27 PHE 28 LYS 29 ASN 30 ARG 31 ILE 32 PRO 33 VAL 34 ILE 35 CYS 36 GLU 37 LYS 38 ALA 39 GLU 40 LYS 41 SER 42 ASP 43 ILE 44 PRO 45 GLU 46 ILE 47 ASP 48 LYS 49 ARG 50 LYS 51 TYR 52 LEU 53 VAL 54 PRO 55 ALA 56 ASP 57 LEU 58 THR 59 VAL 60 GLY 61 GLN 62 PHE 63 VAL 64 TYR 65 VAL 66 ILE 67 ARG 68 LYS 69 ARG 70 ILE 71 MET 72 LEU 73 PRO 74 PRO 75 GLU 76 LYS 77 ALA 78 ILE 79 PHE 80 ILE 81 PHE 82 VAL 83 ASN 84 ASP 85 THR 86 LEU 87 PRO 88 PRO 89 THR 90 ALA 91 ALA 92 LEU 93 MET 94 SER 95 ALA 96 ILE 97 TYR 98 GLN 99 GLU 100 HIS 101 LYS 102 ASP 103 LYS 104 ASP 105 GLY 106 PHE 107 LEU 108 TYR 109 VAL 110 THR 111 TYR 112 SER 113 GLY 114 GLU 115 ASN 116 THR 117 PHE 118 GLY 119 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 16835 Atg8_K26P 97.48 116 99.14 99.14 1.02e-76 BMRB 17879 Atg8K26P 97.48 117 99.14 99.14 8.83e-77 PDB 2KQ7 "Solution Structure Of The Autophagy-Related Protein Atg8" 100.00 119 100.00 100.00 4.05e-80 PDB 2KWC "The Nmr Structure Of The Autophagy-Related Protein Atg8" 97.48 116 99.14 99.14 1.02e-76 PDB 2LI5 "Nmr Structure Of Atg8-Atg7c30 Complex" 97.48 117 99.14 99.14 8.83e-77 PDB 2ZPN "The Crystal Structure Of Saccharomyces Cerevisiae Atg8- Atg19(412-415) Complex" 99.16 119 98.31 98.31 8.07e-78 PDB 3RUI "Crystal Structure Of Atg7c-atg8 Complex" 99.16 118 100.00 100.00 1.91e-79 PDB 3VH3 "Crystal Structure Of Atg7ctd-Atg8 Complex" 97.48 119 99.14 99.14 1.32e-76 PDB 3VH4 "Crystal Structure Of Atg7ctd-Atg8-Mgatp Complex" 97.48 119 99.14 99.14 1.32e-76 PDB 3VXW "Crystal Structure Of Saccharomyces Cerevisiae Atg8 Complexed With Atg32 Aim" 99.16 119 98.31 98.31 8.07e-78 DBJ GAA21477 "K7_Atg8p [Saccharomyces cerevisiae Kyokai no. 7]" 98.32 117 100.00 100.00 1.29e-78 EMBL CAA56032 "E-117 protein [Saccharomyces cerevisiae]" 98.32 117 100.00 100.00 1.29e-78 EMBL CAA84899 "unnamed protein product [Saccharomyces cerevisiae]" 98.32 117 100.00 100.00 1.29e-78 EMBL CAY77706 "Atg8p [Saccharomyces cerevisiae EC1118]" 98.32 117 100.00 100.00 1.29e-78 GB AAT92889 "YBL078C [Saccharomyces cerevisiae]" 98.32 117 100.00 100.00 1.29e-78 GB AHY74413 "Atg8p [Saccharomyces cerevisiae YJM993]" 98.32 117 100.00 100.00 1.29e-78 GB AJP37015 "Atg8p [Saccharomyces cerevisiae YJM1078]" 98.32 117 100.00 100.00 1.29e-78 GB AJP81917 "Atg8p [Saccharomyces cerevisiae YJM1402]" 98.32 117 100.00 100.00 1.29e-78 GB AJP82297 "Atg8p [Saccharomyces cerevisiae YJM1415]" 98.32 117 100.00 100.00 1.29e-78 REF NP_009475 "ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" 98.32 117 100.00 100.00 1.29e-78 SP A6ZKM4 "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" 98.32 117 100.00 100.00 1.29e-78 SP P38182 "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" 98.32 117 100.00 100.00 1.29e-78 TPG DAA07045 "TPA: ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" 98.32 117 100.00 100.00 1.29e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Atg8 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Atg8 'recombinant technology' . Escherichia coli 'BL21 DE3 Rosetta' pGex-4T-2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $Atg8 0.5 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $Atg8 0.5 mM '[U-13C; U-15N]' DSS 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address Keller . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity_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_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_1D_1H_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference _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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HNHA' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $reference _Mol_system_component_name Atg8 _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 SER HA H 4.426 0.020 1 2 2 2 SER HB2 H 3.801 0.020 1 3 2 2 SER HB3 H 3.801 0.020 1 4 2 2 SER C C 174.492 0.3 1 5 2 2 SER CA C 58.434 0.3 1 6 2 2 SER CB C 63.876 0.3 1 7 3 3 MET H H 8.529 0.020 1 8 3 3 MET HA H 4.415 0.020 1 9 3 3 MET HB2 H 1.958 0.020 2 10 3 3 MET HB3 H 2.022 0.020 2 11 3 3 MET HG2 H 2.483 0.020 2 12 3 3 MET HG3 H 2.540 0.020 2 13 3 3 MET C C 175.937 0.3 1 14 3 3 MET CA C 55.593 0.3 1 15 3 3 MET CB C 32.855 0.3 1 16 3 3 MET CG C 31.956 0.3 1 17 3 3 MET N N 122.527 0.3 1 18 4 4 LYS H H 8.430 0.020 1 19 4 4 LYS HA H 4.258 0.020 1 20 4 4 LYS HB2 H 1.689 0.020 2 21 4 4 LYS HB3 H 1.758 0.020 2 22 4 4 LYS HD2 H 1.612 0.020 1 23 4 4 LYS HD3 H 1.612 0.020 1 24 4 4 LYS HE2 H 2.925 0.020 1 25 4 4 LYS HE3 H 2.925 0.020 1 26 4 4 LYS HG2 H 1.319 0.020 2 27 4 4 LYS HG3 H 1.371 0.020 2 28 4 4 LYS C C 176.105 0.3 1 29 4 4 LYS CA C 56.137 0.3 1 30 4 4 LYS CB C 33.001 0.3 1 31 4 4 LYS CD C 29.036 0.3 1 32 4 4 LYS CE C 42.070 0.3 1 33 4 4 LYS CG C 24.657 0.3 1 34 4 4 LYS N N 123.643 0.3 1 35 5 5 SER H H 8.311 0.020 1 36 5 5 SER HA H 4.600 0.020 1 37 5 5 SER HB2 H 3.602 0.020 2 38 5 5 SER HB3 H 3.875 0.020 2 39 5 5 SER C C 174.716 0.3 1 40 5 5 SER CA C 57.536 0.3 1 41 5 5 SER CB C 64.085 0.3 1 42 5 5 SER N N 118.042 0.3 1 43 6 6 THR H H 8.155 0.020 1 44 6 6 THR HA H 4.249 0.020 1 45 6 6 THR HB H 4.122 0.020 1 46 6 6 THR HG2 H 1.070 0.020 1 47 6 6 THR CA C 61.742 0.3 1 48 6 6 THR CB C 69.674 0.3 1 49 6 6 THR CG2 C 21.528 0.3 1 50 6 6 THR N N 122.644 0.3 1 51 8 8 LYS C C 177.450 0.3 1 52 9 9 SER H H 7.588 0.020 1 53 9 9 SER HA H 4.227 0.020 1 54 9 9 SER HB2 H 3.803 0.020 2 55 9 9 SER HB3 H 3.920 0.020 2 56 9 9 SER C C 175.512 0.3 1 57 9 9 SER CA C 59.938 0.3 1 58 9 9 SER CB C 63.536 0.3 1 59 9 9 SER N N 111.613 0.3 1 60 10 10 GLU H H 7.830 0.020 1 61 10 10 GLU HA H 3.812 0.020 1 62 10 10 GLU HB2 H 1.368 0.020 2 63 10 10 GLU HB3 H 1.734 0.020 2 64 10 10 GLU HG2 H 2.029 0.020 1 65 10 10 GLU HG3 H 2.029 0.020 1 66 10 10 GLU CA C 57.816 0.3 1 67 10 10 GLU CB C 31.097 0.3 1 68 10 10 GLU CG C 36.188 0.3 1 69 10 10 GLU N N 122.024 0.3 1 70 11 11 TYR HD1 H 6.609 0.020 1 71 11 11 TYR HD2 H 6.609 0.020 1 72 11 11 TYR HE1 H 6.664 0.020 1 73 11 11 TYR HE2 H 6.664 0.020 1 74 11 11 TYR CD1 C 133.508 0.3 1 75 11 11 TYR CD2 C 133.508 0.3 1 76 11 11 TYR CE1 C 118.291 0.3 1 77 11 11 TYR CE2 C 118.291 0.3 1 78 13 13 PHE C C 176.038 0.3 1 79 14 14 GLU H H 9.745 0.020 1 80 14 14 GLU HA H 3.803 0.020 1 81 14 14 GLU HB2 H 2.060 0.020 1 82 14 14 GLU HB3 H 2.060 0.020 1 83 14 14 GLU HG2 H 2.427 0.020 1 84 14 14 GLU HG3 H 2.427 0.020 1 85 14 14 GLU CA C 60.112 0.3 1 86 14 14 GLU CB C 28.612 0.3 1 87 14 14 GLU CG C 36.652 0.3 1 88 14 14 GLU N N 115.238 0.3 1 89 18 18 ALA H H 7.233 0.020 1 90 18 18 ALA HA H 4.096 0.020 1 91 18 18 ALA HB H 1.447 0.020 1 92 18 18 ALA C C 180.452 0.3 1 93 18 18 ALA CA C 54.456 0.3 1 94 18 18 ALA CB C 18.111 0.3 1 95 18 18 ALA N N 117.755 0.3 1 96 19 19 GLU H H 7.860 0.020 1 97 19 19 GLU HA H 4.290 0.020 1 98 19 19 GLU HB2 H 2.164 0.020 2 99 19 19 GLU HB3 H 2.284 0.020 2 100 19 19 GLU HG2 H 2.341 0.020 1 101 19 19 GLU HG3 H 2.341 0.020 1 102 19 19 GLU C C 178.536 0.3 1 103 19 19 GLU CA C 58.780 0.3 1 104 19 19 GLU CB C 28.977 0.3 1 105 19 19 GLU CG C 35.753 0.3 1 106 19 19 GLU N N 119.391 0.3 1 107 20 20 SER H H 8.682 0.020 1 108 20 20 SER HA H 3.978 0.020 1 109 20 20 SER C C 177.808 0.3 1 110 20 20 SER CA C 61.864 0.3 1 111 20 20 SER N N 117.167 0.3 1 112 21 21 GLU H H 8.024 0.020 1 113 21 21 GLU HA H 3.931 0.020 1 114 21 21 GLU HB2 H 1.933 0.020 2 115 21 21 GLU HB3 H 2.097 0.020 2 116 21 21 GLU HG2 H 2.156 0.020 2 117 21 21 GLU HG3 H 2.467 0.020 2 118 21 21 GLU C C 178.637 0.3 1 119 21 21 GLU CA C 59.408 0.3 1 120 21 21 GLU CB C 29.417 0.3 1 121 21 21 GLU CG C 36.862 0.3 1 122 21 21 GLU N N 124.159 0.3 1 123 22 22 ARG H H 7.800 0.020 1 124 22 22 ARG HA H 4.082 0.020 1 125 22 22 ARG HB2 H 1.959 0.020 1 126 22 22 ARG HB3 H 1.959 0.020 1 127 22 22 ARG HD2 H 3.133 0.020 2 128 22 22 ARG HD3 H 3.243 0.020 2 129 22 22 ARG HG2 H 1.493 0.020 2 130 22 22 ARG HG3 H 1.713 0.020 2 131 22 22 ARG C C 179.164 0.3 1 132 22 22 ARG CA C 59.166 0.3 1 133 22 22 ARG CB C 30.202 0.3 1 134 22 22 ARG CD C 43.309 0.3 1 135 22 22 ARG CG C 27.483 0.3 1 136 22 22 ARG N N 120.740 0.3 1 137 23 23 ILE H H 8.099 0.020 1 138 23 23 ILE HA H 3.698 0.020 1 139 23 23 ILE HB H 1.757 0.020 1 140 23 23 ILE HD1 H 0.736 0.020 1 141 23 23 ILE HG12 H 1.068 0.020 2 142 23 23 ILE HG13 H 1.734 0.020 2 143 23 23 ILE HG2 H 0.759 0.020 1 144 23 23 ILE C C 176.856 0.3 1 145 23 23 ILE CA C 65.132 0.3 1 146 23 23 ILE CB C 38.344 0.3 1 147 23 23 ILE CD1 C 14.113 0.3 1 148 23 23 ILE CG1 C 29.239 0.3 1 149 23 23 ILE CG2 C 17.475 0.3 1 150 23 23 ILE N N 119.838 0.3 1 151 24 24 ALA H H 7.856 0.020 1 152 24 24 ALA HA H 4.129 0.020 1 153 24 24 ALA HB H 1.400 0.020 1 154 24 24 ALA C C 178.928 0.3 1 155 24 24 ALA CA C 53.995 0.3 1 156 24 24 ALA CB C 18.155 0.3 1 157 24 24 ALA N N 121.160 0.3 1 158 25 25 ASP H H 7.557 0.020 1 159 25 25 ASP HA H 4.374 0.020 1 160 25 25 ASP HB2 H 2.608 0.020 2 161 25 25 ASP HB3 H 2.665 0.020 2 162 25 25 ASP C C 177.147 0.3 1 163 25 25 ASP CA C 56.049 0.3 1 164 25 25 ASP CB C 42.227 0.3 1 165 25 25 ASP N N 115.387 0.3 1 166 26 26 ARG H H 7.800 0.020 1 167 26 26 ARG HA H 3.949 0.020 1 168 26 26 ARG HB2 H 1.176 0.020 2 169 26 26 ARG HB3 H 1.422 0.020 2 170 26 26 ARG HD2 H 2.866 0.020 2 171 26 26 ARG HD3 H 2.903 0.020 2 172 26 26 ARG HG2 H 1.090 0.020 2 173 26 26 ARG HG3 H 1.193 0.020 2 174 26 26 ARG C C 176.453 0.3 1 175 26 26 ARG CA C 57.119 0.3 1 176 26 26 ARG CB C 31.328 0.3 1 177 26 26 ARG CD C 42.997 0.3 1 178 26 26 ARG CG C 26.721 0.3 1 179 26 26 ARG N N 116.627 0.3 1 180 27 27 PHE H H 8.397 0.020 1 181 27 27 PHE HA H 4.772 0.020 1 182 27 27 PHE HB2 H 2.761 0.020 2 183 27 27 PHE HB3 H 2.883 0.020 2 184 27 27 PHE HD1 H 7.244 0.020 1 185 27 27 PHE HD2 H 7.244 0.020 1 186 27 27 PHE C C 174.907 0.3 1 187 27 27 PHE CA C 55.862 0.3 1 188 27 27 PHE CB C 39.079 0.3 1 189 27 27 PHE CD1 C 132.220 0.3 1 190 27 27 PHE CD2 C 132.220 0.3 1 191 27 27 PHE N N 119.056 0.3 1 192 28 28 LYS H H 8.149 0.020 1 193 28 28 LYS HA H 4.204 0.020 1 194 28 28 LYS HB2 H 1.749 0.020 1 195 28 28 LYS HB3 H 1.749 0.020 1 196 28 28 LYS HD2 H 1.600 0.020 1 197 28 28 LYS HD3 H 1.600 0.020 1 198 28 28 LYS HE2 H 2.915 0.020 1 199 28 28 LYS HE3 H 2.915 0.020 1 200 28 28 LYS HG2 H 1.388 0.020 1 201 28 28 LYS HG3 H 1.388 0.020 1 202 28 28 LYS C C 177.226 0.3 1 203 28 28 LYS CA C 57.096 0.3 1 204 28 28 LYS CB C 32.265 0.3 1 205 28 28 LYS CD C 29.007 0.3 1 206 28 28 LYS CE C 42.079 0.3 1 207 28 28 LYS CG C 24.818 0.3 1 208 28 28 LYS N N 119.924 0.3 1 209 29 29 ASN H H 8.743 0.020 1 210 29 29 ASN HA H 4.510 0.020 1 211 29 29 ASN HB2 H 2.901 0.020 1 212 29 29 ASN HB3 H 2.901 0.020 1 213 29 29 ASN HD21 H 7.590 0.020 1 214 29 29 ASN HD22 H 6.890 0.020 1 215 29 29 ASN C C 175.008 0.3 1 216 29 29 ASN CA C 53.391 0.3 1 217 29 29 ASN CB C 37.900 0.3 1 218 29 29 ASN CG C 175.159 0.3 1 219 29 29 ASN N N 116.177 0.3 1 220 29 29 ASN ND2 N 112.463 0.3 1 221 30 30 ARG H H 7.628 0.020 1 222 30 30 ARG HA H 4.582 0.020 1 223 30 30 ARG C C 174.223 0.3 1 224 30 30 ARG CA C 53.289 0.3 1 225 30 30 ARG CB C 33.184 0.3 1 226 30 30 ARG N N 116.920 0.3 1 227 31 31 ILE H H 9.175 0.020 1 228 31 31 ILE HA H 4.079 0.020 1 229 31 31 ILE HB H 1.343 0.020 1 230 31 31 ILE HD1 H 0.304 0.020 1 231 31 31 ILE HG12 H 0.829 0.020 2 232 31 31 ILE HG13 H 0.895 0.020 2 233 31 31 ILE HG2 H 0.178 0.020 1 234 31 31 ILE CA C 55.708 0.3 1 235 31 31 ILE CB C 39.010 0.3 1 236 31 31 ILE CD1 C 12.148 0.3 1 237 31 31 ILE CG1 C 26.548 0.3 1 238 31 31 ILE CG2 C 17.023 0.3 1 239 31 31 ILE N N 121.362 0.3 1 240 32 32 PRO HA H 4.839 0.020 1 241 32 32 PRO HB2 H 1.442 0.020 2 242 32 32 PRO HB3 H 1.837 0.020 2 243 32 32 PRO HD2 H 3.213 0.020 2 244 32 32 PRO HD3 H 3.417 0.020 2 245 32 32 PRO HG2 H 1.605 0.020 2 246 32 32 PRO HG3 H 1.796 0.020 2 247 32 32 PRO C C 174.235 0.3 1 248 32 32 PRO CA C 61.567 0.3 1 249 32 32 PRO CB C 30.944 0.3 1 250 32 32 PRO CD C 50.242 0.3 1 251 32 32 PRO CG C 26.485 0.3 1 252 33 33 VAL H H 8.919 0.020 1 253 33 33 VAL HA H 4.963 0.020 1 254 33 33 VAL HB H 1.765 0.020 1 255 33 33 VAL HG1 H 0.512 0.020 1 256 33 33 VAL HG2 H 0.621 0.020 1 257 33 33 VAL C C 174.179 0.3 1 258 33 33 VAL CA C 60.352 0.3 1 259 33 33 VAL CB C 35.791 0.3 1 260 33 33 VAL CG1 C 22.760 0.3 1 261 33 33 VAL CG2 C 22.039 0.3 1 262 33 33 VAL N N 126.573 0.3 1 263 34 34 ILE H H 8.778 0.020 1 264 34 34 ILE HA H 4.796 0.020 1 265 34 34 ILE C C 174.828 0.3 1 266 34 34 ILE CA C 56.662 0.3 1 267 34 34 ILE CB C 36.089 0.3 1 268 34 34 ILE N N 127.592 0.3 1 269 35 35 CYS H H 9.492 0.020 1 270 35 35 CYS HA H 5.460 0.020 1 271 35 35 CYS HB2 H 2.328 0.020 2 272 35 35 CYS HB3 H 3.020 0.020 2 273 35 35 CYS C C 173.226 0.3 1 274 35 35 CYS CA C 56.959 0.3 1 275 35 35 CYS CB C 28.952 0.3 1 276 35 35 CYS N N 128.605 0.3 1 277 36 36 GLU H H 8.458 0.020 1 278 36 36 GLU HA H 4.896 0.020 1 279 36 36 GLU HB2 H 1.997 0.020 2 280 36 36 GLU HB3 H 2.228 0.020 2 281 36 36 GLU HG2 H 2.287 0.020 1 282 36 36 GLU HG3 H 2.287 0.020 1 283 36 36 GLU C C 174.123 0.3 1 284 36 36 GLU CA C 54.203 0.3 1 285 36 36 GLU CB C 35.041 0.3 1 286 36 36 GLU CG C 38.294 0.3 1 287 36 36 GLU N N 124.230 0.3 1 288 37 37 LYS H H 8.951 0.020 1 289 37 37 LYS HA H 3.022 0.020 1 290 37 37 LYS HB2 H 1.472 0.020 2 291 37 37 LYS HB3 H 1.571 0.020 2 292 37 37 LYS C C 177.315 0.3 1 293 37 37 LYS CA C 56.299 0.3 1 294 37 37 LYS CB C 32.644 0.3 1 295 37 37 LYS N N 123.612 0.3 1 296 38 38 ALA H H 8.499 0.020 1 297 38 38 ALA HA H 4.073 0.020 1 298 38 38 ALA HB H 1.239 0.020 1 299 38 38 ALA C C 178.122 0.3 1 300 38 38 ALA CA C 52.601 0.3 1 301 38 38 ALA CB C 18.677 0.3 1 302 38 38 ALA N N 129.302 0.3 1 303 39 39 GLU H H 8.544 0.020 1 304 39 39 GLU HA H 3.904 0.020 1 305 39 39 GLU HB2 H 1.901 0.020 2 306 39 39 GLU HB3 H 1.999 0.020 2 307 39 39 GLU HG2 H 2.158 0.020 2 308 39 39 GLU HG3 H 2.247 0.020 2 309 39 39 GLU C C 177.315 0.3 1 310 39 39 GLU CA C 58.968 0.3 1 311 39 39 GLU CB C 30.137 0.3 1 312 39 39 GLU CG C 36.023 0.3 1 313 39 39 GLU N N 124.503 0.3 1 314 40 40 LYS H H 8.472 0.020 1 315 40 40 LYS HA H 4.106 0.020 1 316 40 40 LYS HB2 H 1.675 0.020 2 317 40 40 LYS HB3 H 1.884 0.020 2 318 40 40 LYS HD2 H 1.515 0.020 2 319 40 40 LYS HD3 H 1.545 0.020 2 320 40 40 LYS HE2 H 2.863 0.020 1 321 40 40 LYS HE3 H 2.863 0.020 1 322 40 40 LYS HG2 H 1.281 0.020 2 323 40 40 LYS HG3 H 1.320 0.020 2 324 40 40 LYS C C 176.072 0.3 1 325 40 40 LYS CA C 56.424 0.3 1 326 40 40 LYS CB C 31.200 0.3 1 327 40 40 LYS CD C 28.853 0.3 1 328 40 40 LYS CE C 42.035 0.3 1 329 40 40 LYS CG C 25.318 0.3 1 330 40 40 LYS N N 115.328 0.3 1 331 41 41 SER H H 7.336 0.020 1 332 41 41 SER HA H 4.463 0.020 1 333 41 41 SER HB2 H 3.664 0.020 1 334 41 41 SER HB3 H 3.664 0.020 1 335 41 41 SER C C 174.784 0.3 1 336 41 41 SER CA C 57.819 0.3 1 337 41 41 SER CB C 64.841 0.3 1 338 41 41 SER N N 113.230 0.3 1 339 42 42 ASP H H 8.683 0.020 1 340 42 42 ASP HA H 4.706 0.020 1 341 42 42 ASP HB2 H 2.696 0.020 1 342 42 42 ASP HB3 H 2.696 0.020 1 343 42 42 ASP C C 175.131 0.3 1 344 42 42 ASP CA C 53.529 0.3 1 345 42 42 ASP CB C 39.860 0.3 1 346 42 42 ASP N N 127.118 0.3 1 347 43 43 ILE H H 7.626 0.020 1 348 43 43 ILE HA H 4.590 0.020 1 349 43 43 ILE HB H 1.891 0.020 1 350 43 43 ILE HD1 H 0.924 0.020 1 351 43 43 ILE HG12 H 1.368 0.020 2 352 43 43 ILE HG13 H 1.647 0.020 2 353 43 43 ILE HG2 H 0.894 0.020 1 354 43 43 ILE CA C 58.952 0.3 1 355 43 43 ILE CB C 40.424 0.3 1 356 43 43 ILE CD1 C 14.802 0.3 1 357 43 43 ILE CG1 C 28.486 0.3 1 358 43 43 ILE CG2 C 17.901 0.3 1 359 43 43 ILE N N 123.074 0.3 1 360 44 44 PRO HA H 4.353 0.020 1 361 44 44 PRO HB2 H 1.725 0.020 2 362 44 44 PRO HB3 H 2.417 0.020 2 363 44 44 PRO HD2 H 3.347 0.020 2 364 44 44 PRO HD3 H 3.934 0.020 2 365 44 44 PRO HG2 H 1.921 0.020 2 366 44 44 PRO HG3 H 1.995 0.020 2 367 44 44 PRO C C 175.893 0.3 1 368 44 44 PRO CA C 63.701 0.3 1 369 44 44 PRO CB C 32.774 0.3 1 370 44 44 PRO CD C 51.760 0.3 1 371 44 44 PRO CG C 27.894 0.3 1 372 45 45 GLU H H 8.372 0.020 1 373 45 45 GLU HA H 4.244 0.020 1 374 45 45 GLU HB2 H 1.883 0.020 2 375 45 45 GLU HB3 H 2.038 0.020 2 376 45 45 GLU HG2 H 2.335 0.020 1 377 45 45 GLU HG3 H 2.335 0.020 1 378 45 45 GLU C C 175.254 0.3 1 379 45 45 GLU CA C 56.404 0.3 1 380 45 45 GLU CB C 31.182 0.3 1 381 45 45 GLU CG C 36.289 0.3 1 382 45 45 GLU N N 120.364 0.3 1 383 46 46 ILE H H 8.052 0.020 1 384 46 46 ILE HA H 4.365 0.020 1 385 46 46 ILE HB H 1.832 0.020 1 386 46 46 ILE HD1 H 0.757 0.020 1 387 46 46 ILE HG12 H 1.333 0.020 2 388 46 46 ILE HG13 H 1.430 0.020 2 389 46 46 ILE HG2 H 0.966 0.020 1 390 46 46 ILE C C 174.761 0.3 1 391 46 46 ILE CA C 60.841 0.3 1 392 46 46 ILE CB C 40.473 0.3 1 393 46 46 ILE CD1 C 15.515 0.3 1 394 46 46 ILE CG1 C 28.451 0.3 1 395 46 46 ILE CG2 C 16.675 0.3 1 396 46 46 ILE N N 123.423 0.3 1 397 47 47 ASP H H 8.447 0.020 1 398 47 47 ASP HA H 4.364 0.020 1 399 47 47 ASP HB2 H 2.734 0.020 1 400 47 47 ASP HB3 H 2.734 0.020 1 401 47 47 ASP C C 175.590 0.3 1 402 47 47 ASP CA C 55.197 0.3 1 403 47 47 ASP CB C 40.143 0.3 1 404 47 47 ASP N N 123.081 0.3 1 405 48 48 LYS H H 7.223 0.020 1 406 48 48 LYS CA C 55.917 0.3 1 407 48 48 LYS CB C 34.418 0.3 1 408 48 48 LYS N N 121.559 0.3 1 409 50 50 LYS H H 7.262 0.020 1 410 50 50 LYS HA H 4.930 0.020 1 411 50 50 LYS HB2 H 1.180 0.020 2 412 50 50 LYS HB3 H 1.564 0.020 2 413 50 50 LYS C C 174.604 0.3 1 414 50 50 LYS CA C 55.079 0.3 1 415 50 50 LYS CB C 33.731 0.3 1 416 50 50 LYS N N 120.715 0.3 1 417 51 51 TYR H H 9.566 0.020 1 418 51 51 TYR HA H 4.392 0.020 1 419 51 51 TYR HB2 H 2.562 0.020 2 420 51 51 TYR HB3 H 2.733 0.020 2 421 51 51 TYR HD1 H 6.967 0.020 1 422 51 51 TYR HD2 H 6.967 0.020 1 423 51 51 TYR HE1 H 6.533 0.020 1 424 51 51 TYR HE2 H 6.533 0.020 1 425 51 51 TYR C C 173.630 0.3 1 426 51 51 TYR CA C 57.217 0.3 1 427 51 51 TYR CB C 42.359 0.3 1 428 51 51 TYR CD1 C 132.475 0.3 1 429 51 51 TYR CD2 C 132.475 0.3 1 430 51 51 TYR CE1 C 118.104 0.3 1 431 51 51 TYR CE2 C 118.104 0.3 1 432 51 51 TYR N N 125.529 0.3 1 433 52 52 LEU H H 8.538 0.020 1 434 52 52 LEU HA H 4.717 0.020 1 435 52 52 LEU HB2 H 0.821 0.020 2 436 52 52 LEU HB3 H 1.511 0.020 2 437 52 52 LEU HD1 H 0.370 0.020 1 438 52 52 LEU HD2 H 0.422 0.020 1 439 52 52 LEU HG H 1.225 0.020 1 440 52 52 LEU C C 176.531 0.3 1 441 52 52 LEU CA C 53.168 0.3 1 442 52 52 LEU CB C 41.317 0.3 1 443 52 52 LEU CD1 C 24.380 0.3 1 444 52 52 LEU CD2 C 24.624 0.3 1 445 52 52 LEU CG C 27.341 0.3 1 446 52 52 LEU N N 124.141 0.3 1 447 53 53 VAL H H 8.672 0.020 1 448 53 53 VAL HA H 4.511 0.020 1 449 53 53 VAL HB H 1.863 0.020 1 450 53 53 VAL HG1 H 0.608 0.020 1 451 53 53 VAL HG2 H 0.854 0.020 1 452 53 53 VAL CA C 59.439 0.3 1 453 53 53 VAL CB C 33.754 0.3 1 454 53 53 VAL CG1 C 22.305 0.3 1 455 53 53 VAL CG2 C 21.607 0.3 1 456 53 53 VAL N N 124.343 0.3 1 457 54 54 PRO HA H 4.461 0.020 1 458 54 54 PRO HB2 H 1.984 0.020 2 459 54 54 PRO HB3 H 2.438 0.020 2 460 54 54 PRO HD2 H 3.546 0.020 2 461 54 54 PRO HD3 H 4.061 0.020 2 462 54 54 PRO C C 176.744 0.3 1 463 54 54 PRO CA C 63.750 0.3 1 464 54 54 PRO CB C 32.275 0.3 1 465 54 54 PRO CD C 51.343 0.3 1 466 55 55 ALA H H 7.865 0.020 1 467 55 55 ALA HA H 3.703 0.020 1 468 55 55 ALA HB H 1.218 0.020 1 469 55 55 ALA C C 176.173 0.3 1 470 55 55 ALA CA C 54.418 0.3 1 471 55 55 ALA CB C 18.800 0.3 1 472 55 55 ALA N N 123.634 0.3 1 473 56 56 ASP H H 8.161 0.020 1 474 56 56 ASP HA H 4.542 0.020 1 475 56 56 ASP HB2 H 2.537 0.020 2 476 56 56 ASP HB3 H 2.821 0.020 2 477 56 56 ASP C C 175.881 0.3 1 478 56 56 ASP CA C 52.541 0.3 1 479 56 56 ASP CB C 39.725 0.3 1 480 56 56 ASP N N 111.448 0.3 1 481 57 57 LEU H H 7.322 0.020 1 482 57 57 LEU HA H 4.361 0.020 1 483 57 57 LEU HB2 H 1.510 0.020 2 484 57 57 LEU HB3 H 1.636 0.020 2 485 57 57 LEU HD1 H 0.856 0.020 1 486 57 57 LEU HD2 H 0.887 0.020 1 487 57 57 LEU HG H 2.021 0.020 1 488 57 57 LEU C C 177.707 0.3 1 489 57 57 LEU CA C 55.494 0.3 1 490 57 57 LEU CB C 43.328 0.3 1 491 57 57 LEU CD1 C 24.722 0.3 1 492 57 57 LEU CG C 27.025 0.3 1 493 57 57 LEU N N 120.926 0.3 1 494 58 58 THR H H 8.419 0.020 1 495 58 58 THR HA H 5.160 0.020 1 496 58 58 THR HB H 4.085 0.020 1 497 58 58 THR HG2 H 1.153 0.020 1 498 58 58 THR C C 176.453 0.3 1 499 58 58 THR CA C 60.232 0.3 1 500 58 58 THR CB C 71.608 0.3 1 501 58 58 THR CG2 C 22.486 0.3 1 502 58 58 THR N N 114.042 0.3 1 503 59 59 VAL H H 8.810 0.020 1 504 59 59 VAL HA H 3.677 0.020 1 505 59 59 VAL HB H 2.256 0.020 1 506 59 59 VAL HG1 H 0.765 0.020 1 507 59 59 VAL HG2 H 0.886 0.020 1 508 59 59 VAL C C 178.671 0.3 1 509 59 59 VAL CA C 66.757 0.3 1 510 59 59 VAL CB C 31.692 0.3 1 511 59 59 VAL CG1 C 21.349 0.3 1 512 59 59 VAL CG2 C 23.963 0.3 1 513 59 59 VAL N N 122.549 0.3 1 514 60 60 GLY H H 9.323 0.020 1 515 60 60 GLY HA2 H 3.650 0.020 2 516 60 60 GLY HA3 H 3.844 0.020 2 517 60 60 GLY C C 176.867 0.3 1 518 60 60 GLY CA C 47.159 0.3 1 519 60 60 GLY N N 105.295 0.3 1 520 61 61 GLN H H 7.985 0.020 1 521 61 61 GLN HA H 4.082 0.020 1 522 61 61 GLN HB2 H 2.015 0.020 2 523 61 61 GLN HB3 H 2.414 0.020 2 524 61 61 GLN HE21 H 7.473 0.020 1 525 61 61 GLN HE22 H 6.788 0.020 1 526 61 61 GLN HG2 H 2.377 0.020 1 527 61 61 GLN HG3 H 2.377 0.020 1 528 61 61 GLN C C 179.264 0.3 1 529 61 61 GLN CA C 58.532 0.3 1 530 61 61 GLN CB C 28.966 0.3 1 531 61 61 GLN CD C 177.534 0.3 1 532 61 61 GLN CG C 34.979 0.3 1 533 61 61 GLN N N 120.877 0.3 1 534 61 61 GLN NE2 N 111.219 0.3 1 535 62 62 PHE H H 8.661 0.020 1 536 62 62 PHE HA H 4.223 0.020 1 537 62 62 PHE HB2 H 2.999 0.020 2 538 62 62 PHE HB3 H 3.293 0.020 2 539 62 62 PHE HD1 H 6.856 0.020 1 540 62 62 PHE HD2 H 6.856 0.020 1 541 62 62 PHE HE1 H 6.669 0.020 1 542 62 62 PHE HE2 H 6.669 0.020 1 543 62 62 PHE HZ H 6.222 0.020 1 544 62 62 PHE C C 176.688 0.3 1 545 62 62 PHE CA C 60.923 0.3 1 546 62 62 PHE CB C 38.819 0.3 1 547 62 62 PHE CD1 C 130.665 0.3 1 548 62 62 PHE CD2 C 130.665 0.3 1 549 62 62 PHE CE1 C 130.491 0.3 1 550 62 62 PHE CE2 C 130.491 0.3 1 551 62 62 PHE CZ C 128.938 0.3 1 552 62 62 PHE N N 124.058 0.3 1 553 63 63 VAL H H 8.549 0.020 1 554 63 63 VAL HA H 2.964 0.020 1 555 63 63 VAL HB H 2.084 0.020 1 556 63 63 VAL HG1 H 0.619 0.020 1 557 63 63 VAL HG2 H 0.921 0.020 1 558 63 63 VAL C C 177.069 0.3 1 559 63 63 VAL CA C 67.088 0.3 1 560 63 63 VAL CB C 30.784 0.3 1 561 63 63 VAL CG1 C 21.961 0.3 1 562 63 63 VAL CG2 C 23.769 0.3 1 563 63 63 VAL N N 119.332 0.3 1 564 64 64 TYR H H 7.128 0.020 1 565 64 64 TYR HA H 3.947 0.020 1 566 64 64 TYR HB2 H 3.026 0.020 2 567 64 64 TYR HB3 H 3.120 0.020 2 568 64 64 TYR HD1 H 7.118 0.020 1 569 64 64 TYR HD2 H 7.118 0.020 1 570 64 64 TYR HE1 H 6.746 0.020 1 571 64 64 TYR HE2 H 6.746 0.020 1 572 64 64 TYR C C 177.427 0.3 1 573 64 64 TYR CA C 61.543 0.3 1 574 64 64 TYR CB C 37.686 0.3 1 575 64 64 TYR CD1 C 132.839 0.3 1 576 64 64 TYR CD2 C 132.839 0.3 1 577 64 64 TYR CE1 C 118.127 0.3 1 578 64 64 TYR CE2 C 118.127 0.3 1 579 64 64 TYR N N 117.495 0.3 1 580 65 65 VAL H H 7.299 0.020 1 581 65 65 VAL HA H 3.364 0.020 1 582 65 65 VAL HB H 2.155 0.020 1 583 65 65 VAL HG1 H 0.750 0.020 1 584 65 65 VAL HG2 H 1.077 0.020 1 585 65 65 VAL C C 178.794 0.3 1 586 65 65 VAL CA C 66.515 0.3 1 587 65 65 VAL CB C 30.973 0.3 1 588 65 65 VAL CG1 C 20.790 0.3 1 589 65 65 VAL CG2 C 22.303 0.3 1 590 65 65 VAL N N 119.945 0.3 1 591 66 66 ILE H H 7.172 0.020 1 592 66 66 ILE HA H 3.263 0.020 1 593 66 66 ILE HB H 1.362 0.020 1 594 66 66 ILE HD1 H -0.092 0.020 1 595 66 66 ILE HG12 H 0.304 0.020 2 596 66 66 ILE HG13 H 0.489 0.020 2 597 66 66 ILE HG2 H -0.105 0.020 1 598 66 66 ILE C C 177.707 0.3 1 599 66 66 ILE CA C 63.751 0.3 1 600 66 66 ILE CB C 36.500 0.3 1 601 66 66 ILE CD1 C 12.062 0.3 1 602 66 66 ILE CG1 C 26.185 0.3 1 603 66 66 ILE CG2 C 16.824 0.3 1 604 66 66 ILE N N 118.275 0.3 1 605 67 67 ARG H H 8.473 0.020 1 606 67 67 ARG HA H 3.329 0.020 1 607 67 67 ARG HB2 H 1.633 0.020 2 608 67 67 ARG HB3 H 1.650 0.020 2 609 67 67 ARG HD2 H 2.972 0.020 1 610 67 67 ARG HD3 H 2.972 0.020 1 611 67 67 ARG HG2 H 1.549 0.020 1 612 67 67 ARG HG3 H 1.549 0.020 1 613 67 67 ARG C C 178.234 0.3 1 614 67 67 ARG CA C 60.046 0.3 1 615 67 67 ARG CB C 30.134 0.3 1 616 67 67 ARG CD C 42.261 0.3 1 617 67 67 ARG CG C 29.402 0.3 1 618 67 67 ARG N N 119.083 0.3 1 619 68 68 LYS H H 7.536 0.020 1 620 68 68 LYS HA H 3.934 0.020 1 621 68 68 LYS HB2 H 1.674 0.020 2 622 68 68 LYS HB3 H 1.703 0.020 2 623 68 68 LYS HD2 H 1.528 0.020 1 624 68 68 LYS HD3 H 1.528 0.020 1 625 68 68 LYS HE2 H 2.795 0.020 2 626 68 68 LYS HE3 H 2.854 0.020 2 627 68 68 LYS HG2 H 1.233 0.020 2 628 68 68 LYS HG3 H 1.293 0.020 2 629 68 68 LYS C C 178.637 0.3 1 630 68 68 LYS CA C 58.072 0.3 1 631 68 68 LYS CB C 31.976 0.3 1 632 68 68 LYS CD C 28.816 0.3 1 633 68 68 LYS CE C 41.899 0.3 1 634 68 68 LYS CG C 24.650 0.3 1 635 68 68 LYS N N 115.817 0.3 1 636 69 69 ARG H H 7.613 0.020 1 637 69 69 ARG HA H 4.090 0.020 1 638 69 69 ARG HB2 H 1.846 0.020 1 639 69 69 ARG HB3 H 1.846 0.020 1 640 69 69 ARG C C 177.819 0.3 1 641 69 69 ARG CA C 57.830 0.3 1 642 69 69 ARG CB C 30.137 0.3 1 643 69 69 ARG N N 118.496 0.3 1 644 70 70 ILE H H 7.642 0.020 1 645 70 70 ILE HA H 4.179 0.020 1 646 70 70 ILE HB H 1.763 0.020 1 647 70 70 ILE HD1 H 0.457 0.020 1 648 70 70 ILE HG12 H 1.066 0.020 2 649 70 70 ILE HG13 H 1.222 0.020 2 650 70 70 ILE HG2 H 0.696 0.020 1 651 70 70 ILE C C 174.459 0.3 1 652 70 70 ILE CA C 61.312 0.3 1 653 70 70 ILE CB C 38.769 0.3 1 654 70 70 ILE CD1 C 14.518 0.3 1 655 70 70 ILE CG1 C 26.216 0.3 1 656 70 70 ILE CG2 C 17.664 0.3 1 657 70 70 ILE N N 112.343 0.3 1 658 71 71 MET H H 7.798 0.020 1 659 71 71 MET HA H 3.966 0.020 1 660 71 71 MET HB2 H 2.048 0.020 2 661 71 71 MET HB3 H 2.140 0.020 2 662 71 71 MET HG2 H 2.411 0.020 1 663 71 71 MET HG3 H 2.411 0.020 1 664 71 71 MET C C 175.321 0.3 1 665 71 71 MET CA C 55.632 0.3 1 666 71 71 MET CB C 29.254 0.3 1 667 71 71 MET CG C 32.160 0.3 1 668 71 71 MET N N 118.722 0.3 1 669 72 72 LEU H H 7.416 0.020 1 670 72 72 LEU HA H 4.563 0.020 1 671 72 72 LEU HB2 H 1.167 0.020 2 672 72 72 LEU HB3 H 1.507 0.020 2 673 72 72 LEU HD1 H 0.834 0.020 1 674 72 72 LEU HD2 H 0.834 0.020 1 675 72 72 LEU HG H 0.704 0.020 1 676 72 72 LEU CA C 52.368 0.3 1 677 72 72 LEU CB C 44.074 0.3 1 678 72 72 LEU CD1 C 25.282 0.3 1 679 72 72 LEU CD2 C 25.282 0.3 1 680 72 72 LEU CG C 25.843 0.3 1 681 72 72 LEU N N 122.076 0.3 1 682 73 73 PRO HA H 4.624 0.020 1 683 73 73 PRO HB2 H 1.972 0.020 2 684 73 73 PRO HB3 H 2.422 0.020 2 685 73 73 PRO HD2 H 3.439 0.020 2 686 73 73 PRO HD3 H 4.033 0.020 2 687 73 73 PRO HG2 H 1.958 0.020 2 688 73 73 PRO HG3 H 2.050 0.020 2 689 73 73 PRO CA C 62.033 0.3 1 690 73 73 PRO CB C 31.241 0.3 1 691 73 73 PRO CD C 51.234 0.3 1 692 73 73 PRO CG C 27.657 0.3 1 693 74 74 PRO HA H 4.049 0.020 1 694 74 74 PRO HB2 H 1.881 0.020 2 695 74 74 PRO HB3 H 2.257 0.020 2 696 74 74 PRO HD2 H 3.722 0.020 1 697 74 74 PRO HD3 H 3.722 0.020 1 698 74 74 PRO HG2 H 1.987 0.020 2 699 74 74 PRO HG3 H 2.044 0.020 2 700 74 74 PRO C C 176.949 0.3 1 701 74 74 PRO CA C 64.821 0.3 1 702 74 74 PRO CB C 31.942 0.3 1 703 74 74 PRO CD C 50.590 0.3 1 704 74 74 PRO CG C 27.385 0.3 1 705 75 75 GLU H H 9.038 0.020 1 706 75 75 GLU HA H 4.108 0.020 1 707 75 75 GLU HB2 H 1.967 0.020 2 708 75 75 GLU HB3 H 2.004 0.020 2 709 75 75 GLU HG2 H 2.124 0.020 2 710 75 75 GLU HG3 H 2.221 0.020 2 711 75 75 GLU C C 176.385 0.3 1 712 75 75 GLU CA C 57.683 0.3 1 713 75 75 GLU CB C 28.215 0.3 1 714 75 75 GLU CG C 36.008 0.3 1 715 75 75 GLU N N 115.154 0.3 1 716 76 76 LYS H H 7.728 0.020 1 717 76 76 LYS HA H 4.443 0.020 1 718 76 76 LYS HB2 H 1.692 0.020 2 719 76 76 LYS HB3 H 1.867 0.020 2 720 76 76 LYS HD2 H 1.616 0.020 1 721 76 76 LYS HD3 H 1.616 0.020 1 722 76 76 LYS HG2 H 1.341 0.020 2 723 76 76 LYS HG3 H 1.399 0.020 2 724 76 76 LYS C C 174.761 0.3 1 725 76 76 LYS CA C 54.674 0.3 1 726 76 76 LYS CB C 32.699 0.3 1 727 76 76 LYS CD C 29.100 0.3 1 728 76 76 LYS CG C 25.127 0.3 1 729 76 76 LYS N N 121.749 0.3 1 730 77 77 ALA H H 8.384 0.020 1 731 77 77 ALA HA H 3.977 0.020 1 732 77 77 ALA HB H 1.155 0.020 1 733 77 77 ALA C C 175.657 0.3 1 734 77 77 ALA CA C 52.199 0.3 1 735 77 77 ALA CB C 20.783 0.3 1 736 77 77 ALA N N 128.038 0.3 1 737 78 78 ILE H H 7.126 0.020 1 738 78 78 ILE HA H 4.500 0.020 1 739 78 78 ILE HB H 1.329 0.020 1 740 78 78 ILE HD1 H 0.451 0.020 1 741 78 78 ILE HG12 H 0.720 0.020 1 742 78 78 ILE HG13 H 0.720 0.020 1 743 78 78 ILE HG2 H 0.552 0.020 1 744 78 78 ILE C C 172.431 0.3 1 745 78 78 ILE CA C 59.687 0.3 1 746 78 78 ILE CB C 41.112 0.3 1 747 78 78 ILE CD1 C 13.805 0.3 1 748 78 78 ILE CG1 C 27.737 0.3 1 749 78 78 ILE CG2 C 16.680 0.3 1 750 78 78 ILE N N 114.297 0.3 1 751 79 79 PHE H H 8.881 0.020 1 752 79 79 PHE HA H 4.469 0.020 1 753 79 79 PHE HB2 H 2.408 0.020 2 754 79 79 PHE HB3 H 2.523 0.020 2 755 79 79 PHE HD1 H 6.909 0.020 1 756 79 79 PHE HD2 H 6.909 0.020 1 757 79 79 PHE HE1 H 7.147 0.020 1 758 79 79 PHE HE2 H 7.147 0.020 1 759 79 79 PHE C C 174.291 0.3 1 760 79 79 PHE CA C 56.473 0.3 1 761 79 79 PHE CB C 42.322 0.3 1 762 79 79 PHE CD1 C 132.035 0.3 1 763 79 79 PHE CD2 C 132.035 0.3 1 764 79 79 PHE CE1 C 131.122 0.3 1 765 79 79 PHE CE2 C 131.122 0.3 1 766 79 79 PHE N N 124.055 0.3 1 767 80 80 ILE H H 7.940 0.020 1 768 80 80 ILE HA H 5.129 0.020 1 769 80 80 ILE HB H 1.727 0.020 1 770 80 80 ILE HD1 H 0.709 0.020 1 771 80 80 ILE HG12 H 1.075 0.020 2 772 80 80 ILE HG13 H 1.279 0.020 2 773 80 80 ILE HG2 H 0.715 0.020 1 774 80 80 ILE C C 173.188 0.3 1 775 80 80 ILE CA C 58.089 0.3 1 776 80 80 ILE CB C 39.270 0.3 1 777 80 80 ILE CD1 C 12.839 0.3 1 778 80 80 ILE CG1 C 26.684 0.3 1 779 80 80 ILE CG2 C 17.258 0.3 1 780 80 80 ILE N N 117.567 0.3 1 781 81 81 PHE H H 9.132 0.020 1 782 81 81 PHE HA H 5.275 0.020 1 783 81 81 PHE HB2 H 2.817 0.020 2 784 81 81 PHE HB3 H 2.899 0.020 2 785 81 81 PHE HD1 H 6.915 0.020 1 786 81 81 PHE HD2 H 6.915 0.020 1 787 81 81 PHE HE1 H 6.668 0.020 1 788 81 81 PHE HE2 H 6.668 0.020 1 789 81 81 PHE C C 176.117 0.3 1 790 81 81 PHE CA C 55.856 0.3 1 791 81 81 PHE CB C 42.634 0.3 1 792 81 81 PHE CD1 C 131.564 0.3 1 793 81 81 PHE CD2 C 131.564 0.3 1 794 81 81 PHE N N 120.877 0.3 1 795 82 82 VAL H H 8.754 0.020 1 796 82 82 VAL HA H 4.440 0.020 1 797 82 82 VAL HB H 1.505 0.020 1 798 82 82 VAL HG1 H 0.598 0.020 1 799 82 82 VAL HG2 H 0.669 0.020 1 800 82 82 VAL C C 175.646 0.3 1 801 82 82 VAL CA C 60.373 0.3 1 802 82 82 VAL CB C 34.203 0.3 1 803 82 82 VAL CG1 C 21.307 0.3 1 804 82 82 VAL CG2 C 20.575 0.3 1 805 82 82 VAL N N 117.932 0.3 1 806 83 83 ASN H H 9.650 0.020 1 807 83 83 ASN HA H 4.277 0.020 1 808 83 83 ASN HB2 H 2.733 0.020 2 809 83 83 ASN HB3 H 2.984 0.020 2 810 83 83 ASN HD21 H 8.696 0.020 1 811 83 83 ASN HD22 H 7.082 0.020 1 812 83 83 ASN C C 174.459 0.3 1 813 83 83 ASN CA C 55.104 0.3 1 814 83 83 ASN CB C 37.309 0.3 1 815 83 83 ASN CG C 175.260 0.3 1 816 83 83 ASN N N 127.681 0.3 1 817 83 83 ASN ND2 N 116.071 0.3 1 818 84 84 ASP H H 8.727 0.020 1 819 84 84 ASP HA H 4.079 0.020 1 820 84 84 ASP HB2 H 2.620 0.020 2 821 84 84 ASP HB3 H 2.759 0.020 2 822 84 84 ASP C C 174.459 0.3 1 823 84 84 ASP CA C 55.578 0.3 1 824 84 84 ASP CB C 39.511 0.3 1 825 84 84 ASP N N 112.496 0.3 1 826 85 85 THR H H 8.025 0.020 1 827 85 85 THR HA H 4.657 0.020 1 828 85 85 THR HB H 4.068 0.020 1 829 85 85 THR HG2 H 1.152 0.020 1 830 85 85 THR C C 172.129 0.3 1 831 85 85 THR CA C 60.738 0.3 1 832 85 85 THR CB C 72.075 0.3 1 833 85 85 THR CG2 C 21.177 0.3 1 834 85 85 THR N N 112.504 0.3 1 835 86 86 LEU H H 8.474 0.020 1 836 86 86 LEU HA H 5.030 0.020 1 837 86 86 LEU HB2 H 1.367 0.020 2 838 86 86 LEU HB3 H 1.621 0.020 2 839 86 86 LEU HD1 H 0.573 0.020 1 840 86 86 LEU HD2 H 0.693 0.020 1 841 86 86 LEU HG H 1.283 0.020 1 842 86 86 LEU CA C 51.793 0.3 1 843 86 86 LEU CB C 42.749 0.3 1 844 86 86 LEU CD1 C 25.490 0.3 1 845 86 86 LEU CD2 C 25.251 0.3 1 846 86 86 LEU CG C 27.014 0.3 1 847 86 86 LEU N N 125.839 0.3 1 848 87 87 PRO HA H 4.770 0.020 1 849 87 87 PRO HB2 H 1.775 0.020 2 850 87 87 PRO HB3 H 2.148 0.020 2 851 87 87 PRO HD2 H 3.896 0.020 2 852 87 87 PRO HD3 H 4.171 0.020 2 853 87 87 PRO HG2 H 1.602 0.020 2 854 87 87 PRO HG3 H 1.852 0.020 2 855 87 87 PRO CA C 60.749 0.3 1 856 87 87 PRO CB C 30.701 0.3 1 857 87 87 PRO CD C 50.695 0.3 1 858 87 87 PRO CG C 26.758 0.3 1 859 88 88 PRO HA H 4.500 0.020 1 860 88 88 PRO HB2 H 1.932 0.020 2 861 88 88 PRO HB3 H 2.396 0.020 2 862 88 88 PRO HD2 H 3.459 0.020 2 863 88 88 PRO HD3 H 3.883 0.020 2 864 88 88 PRO HG2 H 2.044 0.020 2 865 88 88 PRO HG3 H 2.103 0.020 2 866 88 88 PRO C C 177.808 0.3 1 867 88 88 PRO CA C 62.321 0.3 1 868 88 88 PRO CB C 31.791 0.3 1 869 88 88 PRO CD C 50.462 0.3 1 870 88 88 PRO CG C 29.429 0.3 1 871 89 89 THR H H 8.242 0.020 1 872 89 89 THR HA H 3.736 0.020 1 873 89 89 THR HB H 4.096 0.020 1 874 89 89 THR HG2 H 1.259 0.020 1 875 89 89 THR C C 175.635 0.3 1 876 89 89 THR CA C 64.969 0.3 1 877 89 89 THR CB C 68.729 0.3 1 878 89 89 THR CG2 C 22.271 0.3 1 879 89 89 THR N N 114.790 0.3 1 880 90 90 ALA H H 8.000 0.020 1 881 90 90 ALA HA H 4.354 0.020 1 882 90 90 ALA HB H 1.372 0.020 1 883 90 90 ALA C C 177.640 0.3 1 884 90 90 ALA CA C 52.001 0.3 1 885 90 90 ALA CB C 19.326 0.3 1 886 90 90 ALA N N 119.616 0.3 1 887 91 91 ALA H H 7.424 0.020 1 888 91 91 ALA HA H 4.118 0.020 1 889 91 91 ALA HB H 1.392 0.020 1 890 91 91 ALA C C 176.464 0.3 1 891 91 91 ALA CA C 52.318 0.3 1 892 91 91 ALA CB C 19.222 0.3 1 893 91 91 ALA N N 120.405 0.3 1 894 92 92 LEU H H 8.461 0.020 1 895 92 92 LEU HA H 4.409 0.020 1 896 92 92 LEU HB2 H 1.693 0.020 1 897 92 92 LEU HB3 H 1.693 0.020 1 898 92 92 LEU HD1 H 0.773 0.020 1 899 92 92 LEU HD2 H 0.903 0.020 1 900 92 92 LEU HG H 1.761 0.020 1 901 92 92 LEU C C 179.432 0.3 1 902 92 92 LEU CA C 54.554 0.3 1 903 92 92 LEU CB C 42.534 0.3 1 904 92 92 LEU CD1 C 23.121 0.3 1 905 92 92 LEU CD2 C 25.225 0.3 1 906 92 92 LEU CG C 27.552 0.3 1 907 92 92 LEU N N 119.326 0.3 1 908 93 93 MET H H 9.178 0.020 1 909 93 93 MET HA H 4.207 0.020 1 910 93 93 MET HB2 H 1.434 0.020 1 911 93 93 MET HB3 H 1.434 0.020 1 912 93 93 MET HE H 1.127 0.020 1 913 93 93 MET HG2 H 2.160 0.020 1 914 93 93 MET HG3 H 2.160 0.020 1 915 93 93 MET C C 178.861 0.3 1 916 93 93 MET CA C 56.726 0.3 1 917 93 93 MET CB C 29.214 0.3 1 918 93 93 MET CE C 15.334 0.3 1 919 93 93 MET N N 121.574 0.3 1 920 94 94 SER H H 8.760 0.020 1 921 94 94 SER HA H 3.923 0.020 1 922 94 94 SER C C 176.285 0.3 1 923 94 94 SER CA C 60.846 0.3 1 924 94 94 SER N N 113.025 0.3 1 925 95 95 ALA H H 7.021 0.020 1 926 95 95 ALA HA H 4.299 0.020 1 927 95 95 ALA HB H 1.602 0.020 1 928 95 95 ALA C C 180.687 0.3 1 929 95 95 ALA CA C 54.718 0.3 1 930 95 95 ALA CB C 18.494 0.3 1 931 95 95 ALA N N 126.807 0.3 1 932 96 96 ILE H H 7.848 0.020 1 933 96 96 ILE HA H 3.999 0.020 1 934 96 96 ILE HB H 2.120 0.020 1 935 96 96 ILE HD1 H 0.717 0.020 1 936 96 96 ILE HG12 H 1.306 0.020 2 937 96 96 ILE HG13 H 1.597 0.020 2 938 96 96 ILE HG2 H 0.931 0.020 1 939 96 96 ILE C C 178.223 0.3 1 940 96 96 ILE CA C 62.619 0.3 1 941 96 96 ILE CB C 36.338 0.3 1 942 96 96 ILE CD1 C 10.797 0.3 1 943 96 96 ILE CG1 C 26.958 0.3 1 944 96 96 ILE CG2 C 18.990 0.3 1 945 96 96 ILE N N 118.949 0.3 1 946 97 97 TYR H H 8.844 0.020 1 947 97 97 TYR HA H 3.949 0.020 1 948 97 97 TYR HB2 H 2.962 0.020 2 949 97 97 TYR HB3 H 3.096 0.020 2 950 97 97 TYR HD1 H 6.988 0.020 1 951 97 97 TYR HD2 H 6.988 0.020 1 952 97 97 TYR HE1 H 6.830 0.020 1 953 97 97 TYR HE2 H 6.830 0.020 1 954 97 97 TYR C C 175.881 0.3 1 955 97 97 TYR CA C 62.212 0.3 1 956 97 97 TYR CB C 39.247 0.3 1 957 97 97 TYR CD1 C 133.318 0.3 1 958 97 97 TYR CD2 C 133.318 0.3 1 959 97 97 TYR CE1 C 118.087 0.3 1 960 97 97 TYR CE2 C 118.087 0.3 1 961 97 97 TYR N N 120.580 0.3 1 962 98 98 GLN H H 7.712 0.020 1 963 98 98 GLN HA H 3.716 0.020 1 964 98 98 GLN HB2 H 2.119 0.020 2 965 98 98 GLN HB3 H 2.179 0.020 2 966 98 98 GLN HE21 H 7.533 0.020 1 967 98 98 GLN HE22 H 6.890 0.020 1 968 98 98 GLN HG2 H 2.507 0.020 1 969 98 98 GLN HG3 H 2.507 0.020 1 970 98 98 GLN C C 177.147 0.3 1 971 98 98 GLN CA C 58.646 0.3 1 972 98 98 GLN CB C 28.210 0.3 1 973 98 98 GLN CD C 177.399 0.3 1 974 98 98 GLN CG C 33.411 0.3 1 975 98 98 GLN N N 115.083 0.3 1 976 98 98 GLN NE2 N 112.025 0.3 1 977 99 99 GLU H H 7.104 0.020 1 978 99 99 GLU HA H 4.024 0.020 1 979 99 99 GLU HB2 H 1.525 0.020 2 980 99 99 GLU HB3 H 1.761 0.020 2 981 99 99 GLU HG2 H 1.454 0.020 2 982 99 99 GLU HG3 H 1.923 0.020 2 983 99 99 GLU C C 178.099 0.3 1 984 99 99 GLU CA C 57.838 0.3 1 985 99 99 GLU CB C 31.467 0.3 1 986 99 99 GLU CG C 35.529 0.3 1 987 99 99 GLU N N 114.323 0.3 1 988 100 100 HIS H H 8.215 0.020 1 989 100 100 HIS HA H 4.759 0.020 1 990 100 100 HIS HB2 H 2.738 0.020 2 991 100 100 HIS HB3 H 3.159 0.020 2 992 100 100 HIS HD2 H 6.974 0.020 1 993 100 100 HIS HE1 H 7.790 0.020 1 994 100 100 HIS C C 175.881 0.3 1 995 100 100 HIS CA C 56.665 0.3 1 996 100 100 HIS CB C 32.852 0.3 1 997 100 100 HIS CD2 C 118.100 0.3 1 998 100 100 HIS CE1 C 138.929 0.3 1 999 100 100 HIS N N 113.288 0.3 1 1000 101 101 LYS H H 8.043 0.020 1 1001 101 101 LYS HA H 3.928 0.020 1 1002 101 101 LYS HB2 H 1.132 0.020 1 1003 101 101 LYS HB3 H 1.132 0.020 1 1004 101 101 LYS HG2 H 0.935 0.020 1 1005 101 101 LYS HG3 H 0.935 0.020 1 1006 101 101 LYS C C 174.683 0.3 1 1007 101 101 LYS CA C 57.601 0.3 1 1008 101 101 LYS CB C 31.588 0.3 1 1009 101 101 LYS CG C 22.500 0.3 1 1010 101 101 LYS N N 120.853 0.3 1 1011 102 102 ASP H H 8.955 0.020 1 1012 102 102 ASP HA H 4.694 0.020 1 1013 102 102 ASP HB2 H 3.132 0.020 2 1014 102 102 ASP HB3 H 3.835 0.020 2 1015 102 102 ASP C C 177.664 0.3 1 1016 102 102 ASP CA C 53.951 0.3 1 1017 102 102 ASP CB C 43.415 0.3 1 1018 102 102 ASP N N 124.033 0.3 1 1019 103 103 LYS H H 8.651 0.020 1 1020 103 103 LYS HA H 4.171 0.020 1 1021 103 103 LYS HB2 H 1.975 0.020 1 1022 103 103 LYS HB3 H 1.975 0.020 1 1023 103 103 LYS HD2 H 1.664 0.020 1 1024 103 103 LYS HD3 H 1.664 0.020 1 1025 103 103 LYS HE2 H 2.962 0.020 1 1026 103 103 LYS HE3 H 2.962 0.020 1 1027 103 103 LYS HG2 H 1.587 0.020 2 1028 103 103 LYS HG3 H 1.647 0.020 2 1029 103 103 LYS CA C 59.352 0.3 1 1030 103 103 LYS CB C 32.546 0.3 1 1031 103 103 LYS CD C 28.738 0.3 1 1032 103 103 LYS CE C 42.280 0.3 1 1033 103 103 LYS CG C 25.498 0.3 1 1034 103 103 LYS N N 125.894 0.3 1 1035 104 104 ASP H H 10.278 0.020 1 1036 104 104 ASP C C 176.710 0.3 1 1037 104 104 ASP CA C 54.539 0.3 1 1038 104 104 ASP N N 119.429 0.3 1 1039 105 105 GLY H H 8.128 0.020 1 1040 105 105 GLY HA2 H 3.439 0.020 2 1041 105 105 GLY HA3 H 4.353 0.020 2 1042 105 105 GLY C C 174.660 0.3 1 1043 105 105 GLY CA C 45.332 0.3 1 1044 105 105 GLY N N 106.083 0.3 1 1045 106 106 PHE H H 9.579 0.020 1 1046 106 106 PHE HA H 4.623 0.020 1 1047 106 106 PHE HB2 H 2.010 0.020 2 1048 106 106 PHE HB3 H 3.370 0.020 2 1049 106 106 PHE C C 174.929 0.3 1 1050 106 106 PHE CA C 59.350 0.3 1 1051 106 106 PHE CB C 40.007 0.3 1 1052 106 106 PHE N N 121.748 0.3 1 1053 107 107 LEU H H 8.294 0.020 1 1054 107 107 LEU HA H 4.830 0.020 1 1055 107 107 LEU HB2 H 1.387 0.020 2 1056 107 107 LEU HB3 H 2.037 0.020 2 1057 107 107 LEU HD1 H 0.870 0.020 1 1058 107 107 LEU HD2 H 0.644 0.020 1 1059 107 107 LEU HG H 1.387 0.020 1 1060 107 107 LEU C C 173.865 0.3 1 1061 107 107 LEU CA C 53.400 0.3 1 1062 107 107 LEU CB C 45.088 0.3 1 1063 107 107 LEU CD1 C 24.187 0.3 1 1064 107 107 LEU CD2 C 26.082 0.3 1 1065 107 107 LEU CG C 27.148 0.3 1 1066 107 107 LEU N N 119.889 0.3 1 1067 108 108 TYR H H 9.111 0.020 1 1068 108 108 TYR HA H 4.932 0.020 1 1069 108 108 TYR HB2 H 2.883 0.020 2 1070 108 108 TYR HB3 H 3.026 0.020 2 1071 108 108 TYR HD1 H 7.246 0.020 1 1072 108 108 TYR HD2 H 7.246 0.020 1 1073 108 108 TYR HE1 H 7.222 0.020 1 1074 108 108 TYR HE2 H 7.222 0.020 1 1075 108 108 TYR C C 176.005 0.3 1 1076 108 108 TYR CA C 58.669 0.3 1 1077 108 108 TYR CB C 38.027 0.3 1 1078 108 108 TYR CD1 C 132.625 0.3 1 1079 108 108 TYR CD2 C 132.625 0.3 1 1080 108 108 TYR CE1 C 118.693 0.3 1 1081 108 108 TYR CE2 C 118.693 0.3 1 1082 108 108 TYR N N 127.782 0.3 1 1083 109 109 VAL H H 9.475 0.020 1 1084 109 109 VAL HA H 5.062 0.020 1 1085 109 109 VAL HB H 2.204 0.020 1 1086 109 109 VAL HG1 H 0.766 0.020 1 1087 109 109 VAL HG2 H 0.859 0.020 1 1088 109 109 VAL C C 175.702 0.3 1 1089 109 109 VAL CA C 59.487 0.3 1 1090 109 109 VAL CB C 34.752 0.3 1 1091 109 109 VAL CG1 C 20.865 0.3 1 1092 109 109 VAL CG2 C 22.049 0.3 1 1093 109 109 VAL N N 121.348 0.3 1 1094 110 110 THR H H 8.999 0.020 1 1095 110 110 THR HA H 6.074 0.020 1 1096 110 110 THR HB H 3.967 0.020 1 1097 110 110 THR HG2 H 1.157 0.020 1 1098 110 110 THR C C 174.033 0.3 1 1099 110 110 THR CA C 59.763 0.3 1 1100 110 110 THR CB C 72.169 0.3 1 1101 110 110 THR CG2 C 22.182 0.3 1 1102 110 110 THR N N 119.503 0.3 1 1103 111 111 TYR H H 8.373 0.020 1 1104 111 111 TYR HA H 6.255 0.020 1 1105 111 111 TYR HB2 H 2.508 0.020 2 1106 111 111 TYR HB3 H 2.819 0.020 2 1107 111 111 TYR HD1 H 6.756 0.020 1 1108 111 111 TYR HD2 H 6.756 0.020 1 1109 111 111 TYR HE1 H 6.555 0.020 1 1110 111 111 TYR HE2 H 6.555 0.020 1 1111 111 111 TYR C C 173.234 0.3 1 1112 111 111 TYR CA C 54.538 0.3 1 1113 111 111 TYR CB C 42.141 0.3 1 1114 111 111 TYR CD1 C 132.723 0.3 1 1115 111 111 TYR CD2 C 132.723 0.3 1 1116 111 111 TYR CE1 C 117.409 0.3 1 1117 111 111 TYR CE2 C 117.409 0.3 1 1118 111 111 TYR N N 119.349 0.3 1 1119 112 112 SER H H 9.024 0.020 1 1120 112 112 SER HA H 4.662 0.020 1 1121 112 112 SER HB2 H 3.781 0.020 2 1122 112 112 SER HB3 H 3.903 0.020 2 1123 112 112 SER C C 173.585 0.3 1 1124 112 112 SER CA C 56.033 0.3 1 1125 112 112 SER CB C 66.052 0.3 1 1126 112 112 SER N N 112.876 0.3 1 1127 113 113 GLY H H 8.397 0.020 1 1128 113 113 GLY HA2 H 3.770 0.020 2 1129 113 113 GLY HA3 H 4.778 0.020 2 1130 113 113 GLY C C 173.249 0.3 1 1131 113 113 GLY CA C 45.332 0.3 1 1132 113 113 GLY N N 110.905 0.3 1 1133 114 114 GLU H H 8.345 0.020 1 1134 114 114 GLU HA H 4.599 0.020 1 1135 114 114 GLU HB2 H 1.910 0.020 2 1136 114 114 GLU HB3 H 1.957 0.020 2 1137 114 114 GLU HG2 H 2.117 0.020 2 1138 114 114 GLU HG3 H 2.197 0.020 2 1139 114 114 GLU C C 174.515 0.3 1 1140 114 114 GLU CA C 55.422 0.3 1 1141 114 114 GLU CB C 32.894 0.3 1 1142 114 114 GLU CG C 36.180 0.3 1 1143 114 114 GLU N N 118.617 0.3 1 1144 115 115 ASN H H 8.196 0.020 1 1145 115 115 ASN HA H 4.134 0.020 1 1146 115 115 ASN HB2 H 1.630 0.020 2 1147 115 115 ASN HB3 H 1.837 0.020 2 1148 115 115 ASN HD21 H 6.952 0.020 1 1149 115 115 ASN HD22 H 6.559 0.020 1 1150 115 115 ASN C C 175.086 0.3 1 1151 115 115 ASN CA C 51.774 0.3 1 1152 115 115 ASN CB C 36.722 0.3 1 1153 115 115 ASN CG C 173.815 0.3 1 1154 115 115 ASN N N 118.335 0.3 1 1155 115 115 ASN ND2 N 109.364 0.3 1 1156 116 116 THR H H 7.418 0.020 1 1157 116 116 THR HA H 4.087 0.020 1 1158 116 116 THR HB H 3.895 0.020 1 1159 116 116 THR HG2 H 0.896 0.020 1 1160 116 116 THR C C 173.809 0.3 1 1161 116 116 THR CA C 61.363 0.3 1 1162 116 116 THR CB C 69.614 0.3 1 1163 116 116 THR CG2 C 21.285 0.3 1 1164 116 116 THR N N 112.915 0.3 1 1165 117 117 PHE H H 7.991 0.020 1 1166 117 117 PHE HA H 4.320 0.020 1 1167 117 117 PHE HB2 H 2.729 0.020 2 1168 117 117 PHE HB3 H 2.929 0.020 2 1169 117 117 PHE HD1 H 6.916 0.020 1 1170 117 117 PHE HD2 H 6.916 0.020 1 1171 117 117 PHE HE1 H 7.073 0.020 1 1172 117 117 PHE HE2 H 7.073 0.020 1 1173 117 117 PHE C C 175.859 0.3 1 1174 117 117 PHE CA C 57.925 0.3 1 1175 117 117 PHE CB C 39.209 0.3 1 1176 117 117 PHE CD1 C 131.312 0.3 1 1177 117 117 PHE CD2 C 131.312 0.3 1 1178 117 117 PHE CE1 C 131.258 0.3 1 1179 117 117 PHE CE2 C 131.258 0.3 1 1180 117 117 PHE N N 121.283 0.3 1 1181 118 118 GLY H H 8.037 0.020 1 1182 118 118 GLY HA2 H 3.705 0.020 1 1183 118 118 GLY HA3 H 3.705 0.020 1 1184 118 118 GLY C C 172.991 0.3 1 1185 118 118 GLY CA C 45.522 0.3 1 1186 118 118 GLY N N 110.834 0.3 1 1187 119 119 ARG H H 7.647 0.020 1 1188 119 119 ARG HA H 4.088 0.020 1 1189 119 119 ARG HB2 H 1.607 0.020 2 1190 119 119 ARG HB3 H 1.779 0.020 2 1191 119 119 ARG HD2 H 3.080 0.020 1 1192 119 119 ARG HD3 H 3.080 0.020 1 1193 119 119 ARG HG2 H 1.474 0.020 1 1194 119 119 ARG HG3 H 1.474 0.020 1 1195 119 119 ARG CA C 57.099 0.3 1 1196 119 119 ARG CB C 31.400 0.3 1 1197 119 119 ARG CD C 43.389 0.3 1 1198 119 119 ARG CG C 27.157 0.3 1 1199 119 119 ARG N N 125.335 0.3 1 stop_ save_