data_17595 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments for an archaeal homolog of the endonuclease Nob1 involved in ribosome biogenesis ; _BMRB_accession_number 17595 _BMRB_flat_file_name bmr17595.str _Entry_type original _Submission_date 2011-04-19 _Accession_date 2011-04-19 _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 Veith Thomas . . 2 Wurm Jan P. . 3 Duchardt-Ferner Elke . . 4 Weis Benjamin . . 5 Hennig Raoul . . 6 Martin Roman . . 7 Safferthal Charlotta . . 8 Bohnsack Markus T. . 9 Schleiff Enrico . . 10 Woehnert Jens . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 901 "13C chemical shifts" 704 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-20 update BMRB 'update entry citation' 2011-12-14 original author 'original release' stop_ _Original_release_date 2011-04-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and functional analysis of the archaeal endonuclease Nob1. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22156373 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Veith Thomas . . 2 Martin Roman . . 3 Wurm Jan P. . 4 Weis Benjamin L. . 5 Duchardt-Ferner Elke . . 6 Safferthal Charlotta . . 7 Hennig Raoul . . 8 Mirus Oliver . . 9 Bohnsack Markus T. . 10 Wohnert Jens . . 11 Schleiff Enrico . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 40 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3259 _Page_last 3274 _Year 2012 _Details . loop_ _Keyword '18S rRNA maturation' NMR-assignments Nob1 'Triple resonance experiments' endonuclease 'ribosome biogenesis' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Nob1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PhNob1 $PhNob1 Zn $ZN 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_PhNob1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PhNob1 _Molecular_mass . _Mol_thiol_state 'all other bound' loop_ _Biological_function 'RNA endonuclease' 'ribosome assembly factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; MLRNLKKTLVLDSSVFIQGI DIEGYTTPSVVEEIKDRESK IFLESLISAGKVKIAEPSKE SIDRIIQVAKETGEVNELSK ADIEVLALAYELKGEIFSDD YNVQNIASLLGLRFRTLKRG IKKVIKWRYVCIGCGRKFST LPPGGVCPDCGSKVKLIPRK R ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 ARG 4 ASN 5 LEU 6 LYS 7 LYS 8 THR 9 LEU 10 VAL 11 LEU 12 ASP 13 SER 14 SER 15 VAL 16 PHE 17 ILE 18 GLN 19 GLY 20 ILE 21 ASP 22 ILE 23 GLU 24 GLY 25 TYR 26 THR 27 THR 28 PRO 29 SER 30 VAL 31 VAL 32 GLU 33 GLU 34 ILE 35 LYS 36 ASP 37 ARG 38 GLU 39 SER 40 LYS 41 ILE 42 PHE 43 LEU 44 GLU 45 SER 46 LEU 47 ILE 48 SER 49 ALA 50 GLY 51 LYS 52 VAL 53 LYS 54 ILE 55 ALA 56 GLU 57 PRO 58 SER 59 LYS 60 GLU 61 SER 62 ILE 63 ASP 64 ARG 65 ILE 66 ILE 67 GLN 68 VAL 69 ALA 70 LYS 71 GLU 72 THR 73 GLY 74 GLU 75 VAL 76 ASN 77 GLU 78 LEU 79 SER 80 LYS 81 ALA 82 ASP 83 ILE 84 GLU 85 VAL 86 LEU 87 ALA 88 LEU 89 ALA 90 TYR 91 GLU 92 LEU 93 LYS 94 GLY 95 GLU 96 ILE 97 PHE 98 SER 99 ASP 100 ASP 101 TYR 102 ASN 103 VAL 104 GLN 105 ASN 106 ILE 107 ALA 108 SER 109 LEU 110 LEU 111 GLY 112 LEU 113 ARG 114 PHE 115 ARG 116 THR 117 LEU 118 LYS 119 ARG 120 GLY 121 ILE 122 LYS 123 LYS 124 VAL 125 ILE 126 LYS 127 TRP 128 ARG 129 TYR 130 VAL 131 CYS 132 ILE 133 GLY 134 CYS 135 GLY 136 ARG 137 LYS 138 PHE 139 SER 140 THR 141 LEU 142 PRO 143 PRO 144 GLY 145 GLY 146 VAL 147 CYS 148 PRO 149 ASP 150 CYS 151 GLY 152 SER 153 LYS 154 VAL 155 LYS 156 LEU 157 ILE 158 PRO 159 ARG 160 LYS 161 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 20 14:47:40 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PhNob1 Euryarchaeotes 53953 Archaea . Pyrococcus horikoshii 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 $PhNob1 'recombinant technology' . Escherichia coli . pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PhNob1 0.4 mM [U-15N] 'potassium chloride' 50 mM 'natural abundance' BisTris 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PhNob1 0.4 mM '[U-13C; U-15N]' 'potassium chloride' 50 mM 'natural abundance' BisTris 50 mM 'natural abundance' H2O 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ATNOS _Saveframe_category software _Name ATNOS _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CANDID _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 83 . mM pH 6.2 . pH pressure 1 . atm temperature 310 . 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 TSP C 13 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.25144954 TSP H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1 TSP N 15 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D HNHA' '3D CBCA(CO)NH' '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC aliphatic' '3D HNCA' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PhNob1 _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 3 3 ARG H H 8.384 0.020 1 2 3 3 ARG HA H 4.341 0.020 1 3 3 3 ARG HB2 H 1.798 0.020 1 4 3 3 ARG HB3 H 1.798 0.020 1 5 3 3 ARG C C 175.508 0.3 1 6 3 3 ARG CA C 55.834 0.3 1 7 3 3 ARG CB C 30.948 0.3 1 8 3 3 ARG N N 122.107 0.3 1 9 4 4 ASN H H 8.411 0.020 1 10 4 4 ASN HA H 4.673 0.020 1 11 4 4 ASN HB2 H 2.840 0.020 2 12 4 4 ASN HB3 H 2.737 0.020 2 13 4 4 ASN HD21 H 7.544 0.020 1 14 4 4 ASN HD22 H 6.842 0.020 1 15 4 4 ASN C C 174.798 0.3 1 16 4 4 ASN CA C 52.978 0.3 1 17 4 4 ASN CB C 38.445 0.3 1 18 4 4 ASN N N 119.629 0.3 1 19 4 4 ASN ND2 N 112.284 0.3 1 20 5 5 LEU H H 8.157 0.020 1 21 5 5 LEU HA H 4.335 0.020 1 22 5 5 LEU HB2 H 1.605 0.020 2 23 5 5 LEU HB3 H 1.583 0.020 2 24 5 5 LEU C C 177.074 0.3 1 25 5 5 LEU CA C 55.120 0.3 1 26 5 5 LEU CB C 42.271 0.3 1 27 5 5 LEU CG C 26.869 0.3 1 28 5 5 LEU CD1 C 24.739 0.3 1 29 5 5 LEU CD2 C 23.474 0.3 1 30 5 5 LEU N N 122.833 0.3 1 31 6 6 LYS H H 8.208 0.020 1 32 6 6 LYS HA H 4.317 0.020 1 33 6 6 LYS HB2 H 1.761 0.020 2 34 6 6 LYS HB3 H 1.829 0.020 2 35 6 6 LYS HG2 H 1.458 0.020 2 36 6 6 LYS HG3 H 1.407 0.020 2 37 6 6 LYS HD2 H 1.301 0.020 1 38 6 6 LYS HE2 H 3.001 0.020 2 39 6 6 LYS HE3 H 3.034 0.020 2 40 6 6 LYS C C 176.257 0.3 1 41 6 6 LYS CA C 56.177 0.3 1 42 6 6 LYS CB C 33.094 0.3 1 43 6 6 LYS CG C 24.727 0.3 1 44 6 6 LYS CD C 28.834 0.3 1 45 6 6 LYS CE C 42.244 0.3 1 46 6 6 LYS N N 121.843 0.3 1 47 7 7 LYS H H 8.211 0.020 1 48 7 7 LYS HA H 4.428 0.020 1 49 7 7 LYS HB2 H 1.807 0.020 2 50 7 7 LYS HB3 H 1.742 0.020 2 51 7 7 LYS C C 176.315 0.3 1 52 7 7 LYS CA C 55.791 0.3 1 53 7 7 LYS CB C 33.082 0.3 1 54 7 7 LYS CG C 24.560 0.3 1 55 7 7 LYS CD C 28.832 0.3 1 56 7 7 LYS CE C 42.067 0.3 1 57 7 7 LYS N N 122.500 0.3 1 58 8 8 THR H H 8.402 0.020 1 59 8 8 THR HA H 4.257 0.020 1 60 8 8 THR HB H 3.965 0.020 1 61 8 8 THR HG2 H 1.081 0.020 1 62 8 8 THR C C 172.367 0.3 1 63 8 8 THR CA C 62.856 0.3 1 64 8 8 THR CB C 69.470 0.3 1 65 8 8 THR CG2 C 22.558 0.3 1 66 8 8 THR N N 119.414 0.3 1 67 9 9 LEU H H 8.322 0.020 1 68 9 9 LEU HA H 5.114 0.020 1 69 9 9 LEU HB2 H 1.744 0.020 2 70 9 9 LEU HB3 H 1.630 0.020 2 71 9 9 LEU HG H 1.631 0.020 1 72 9 9 LEU HD1 H 0.863 0.020 1 73 9 9 LEU C C 175.069 0.3 1 74 9 9 LEU CA C 53.799 0.3 1 75 9 9 LEU CB C 44.586 0.3 1 76 9 9 LEU CG C 27.189 0.3 1 77 9 9 LEU CD1 C 25.251 0.3 1 78 9 9 LEU N N 128.282 0.3 1 79 10 10 VAL H H 9.179 0.020 1 80 10 10 VAL HA H 4.903 0.020 1 81 10 10 VAL HB H 1.876 0.020 1 82 10 10 VAL HG1 H 1.214 0.020 1 83 10 10 VAL HG2 H 0.768 0.020 1 84 10 10 VAL C C 174.080 0.3 1 85 10 10 VAL CA C 61.651 0.3 1 86 10 10 VAL CB C 32.924 0.3 1 87 10 10 VAL CG1 C 22.689 0.3 1 88 10 10 VAL CG2 C 21.205 0.3 1 89 10 10 VAL N N 124.869 0.3 1 90 11 11 LEU H H 9.212 0.020 1 91 11 11 LEU HA H 4.692 0.020 1 92 11 11 LEU HB2 H 1.914 0.020 2 93 11 11 LEU HB3 H 1.217 0.020 2 94 11 11 LEU HG H 0.808 0.020 1 95 11 11 LEU HD1 H 0.812 0.020 1 96 11 11 LEU HD2 H 0.633 0.020 1 97 11 11 LEU C C 175.111 0.3 1 98 11 11 LEU CA C 54.105 0.3 1 99 11 11 LEU CB C 43.734 0.3 1 100 11 11 LEU CG C 26.598 0.3 1 101 11 11 LEU CD1 C 24.427 0.3 1 102 11 11 LEU CD2 C 22.864 0.3 1 103 11 11 LEU N N 126.916 0.3 1 104 12 12 ASP H H 7.588 0.020 1 105 12 12 ASP HA H 5.076 0.020 1 106 12 12 ASP HB2 H 3.415 0.020 2 107 12 12 ASP HB3 H 2.828 0.020 2 108 12 12 ASP C C 175.793 0.3 1 109 12 12 ASP CA C 51.604 0.3 1 110 12 12 ASP CB C 41.963 0.3 1 111 12 12 ASP N N 122.119 0.3 1 112 13 13 SER H H 8.745 0.020 1 113 13 13 SER HA H 4.082 0.020 1 114 13 13 SER HB2 H 3.957 0.020 1 115 13 13 SER HB3 H 3.957 0.020 1 116 13 13 SER C C 176.361 0.3 1 117 13 13 SER CA C 61.824 0.3 1 118 13 13 SER CB C 62.834 0.3 1 119 13 13 SER N N 110.901 0.3 1 120 14 14 SER H H 7.954 0.020 1 121 14 14 SER HA H 4.072 0.020 1 122 14 14 SER HB2 H 3.829 0.020 1 123 14 14 SER HB3 H 3.829 0.020 1 124 14 14 SER C C 175.744 0.3 1 125 14 14 SER CA C 61.501 0.3 1 126 14 14 SER CB C 62.791 0.3 1 127 14 14 SER N N 116.918 0.3 1 128 15 15 VAL H H 7.119 0.020 1 129 15 15 VAL HA H 3.210 0.020 1 130 15 15 VAL HB H 1.314 0.020 1 131 15 15 VAL HG1 H 0.371 0.020 1 132 15 15 VAL HG2 H 0.268 0.020 1 133 15 15 VAL C C 176.183 0.3 1 134 15 15 VAL CA C 65.279 0.3 1 135 15 15 VAL CB C 31.317 0.3 1 136 15 15 VAL CG1 C 22.310 0.3 1 137 15 15 VAL CG2 C 21.516 0.3 1 138 15 15 VAL N N 120.289 0.3 1 139 16 16 PHE H H 6.530 0.020 1 140 16 16 PHE HA H 4.604 0.020 1 141 16 16 PHE HB2 H 3.384 0.020 2 142 16 16 PHE HB3 H 2.892 0.020 2 143 16 16 PHE HD1 H 7.101 0.020 1 144 16 16 PHE HD2 H 7.101 0.020 1 145 16 16 PHE HE1 H 7.149 0.020 1 146 16 16 PHE HE2 H 7.149 0.020 1 147 16 16 PHE HZ H 6.944 0.020 1 148 16 16 PHE C C 178.054 0.3 1 149 16 16 PHE CA C 59.362 0.3 1 150 16 16 PHE CB C 38.515 0.3 1 151 16 16 PHE CD1 C 130.883 0.3 1 152 16 16 PHE CE1 C 132.039 0.3 1 153 16 16 PHE CZ C 130.039 0.3 1 154 16 16 PHE N N 116.759 0.3 1 155 17 17 ILE H H 8.048 0.020 1 156 17 17 ILE HA H 4.142 0.020 1 157 17 17 ILE HB H 1.804 0.020 1 158 17 17 ILE HG12 H 1.621 0.020 2 159 17 17 ILE HG13 H 1.322 0.020 2 160 17 17 ILE HG2 H 0.914 0.020 1 161 17 17 ILE HD1 H 0.614 0.020 1 162 17 17 ILE C C 177.365 0.3 1 163 17 17 ILE CA C 63.006 0.3 1 164 17 17 ILE CB C 38.467 0.3 1 165 17 17 ILE CG1 C 28.510 0.3 1 166 17 17 ILE CG2 C 17.432 0.3 1 167 17 17 ILE CD1 C 12.674 0.3 1 168 17 17 ILE N N 119.975 0.3 1 169 18 18 GLN H H 7.532 0.020 1 170 18 18 GLN HA H 4.045 0.020 1 171 18 18 GLN HB2 H 2.138 0.020 2 172 18 18 GLN HB3 H 1.992 0.020 2 173 18 18 GLN HG2 H 2.425 0.020 2 174 18 18 GLN HG3 H 2.281 0.020 2 175 18 18 GLN HE21 H 7.275 0.020 1 176 18 18 GLN HE22 H 6.951 0.020 1 177 18 18 GLN C C 176.283 0.3 1 178 18 18 GLN CA C 56.142 0.3 1 179 18 18 GLN CB C 28.910 0.3 1 180 18 18 GLN CG C 34.681 0.3 1 181 18 18 GLN N N 115.636 0.3 1 182 18 18 GLN NE2 N 111.377 0.3 1 183 19 19 GLY H H 7.281 0.020 1 184 19 19 GLY HA2 H 2.583 0.020 2 185 19 19 GLY HA3 H 3.317 0.020 2 186 19 19 GLY C C 173.840 0.3 1 187 19 19 GLY CA C 46.342 0.3 1 188 19 19 GLY N N 107.893 0.3 1 189 20 20 ILE H H 7.503 0.020 1 190 20 20 ILE HA H 3.865 0.020 1 191 20 20 ILE HB H 1.743 0.020 1 192 20 20 ILE HG12 H 1.282 0.020 2 193 20 20 ILE HG13 H 1.032 0.020 2 194 20 20 ILE HG2 H 0.741 0.020 1 195 20 20 ILE HD1 H 0.710 0.020 1 196 20 20 ILE C C 173.299 0.3 1 197 20 20 ILE CA C 60.577 0.3 1 198 20 20 ILE CB C 37.635 0.3 1 199 20 20 ILE CG1 C 27.182 0.3 1 200 20 20 ILE CG2 C 17.180 0.3 1 201 20 20 ILE CD1 C 12.853 0.3 1 202 20 20 ILE N N 120.508 0.3 1 203 21 21 ASP H H 8.054 0.020 1 204 21 21 ASP HA H 4.538 0.020 1 205 21 21 ASP HB2 H 2.836 0.020 1 206 21 21 ASP HB3 H 2.836 0.020 2 207 21 21 ASP C C 174.456 0.3 1 208 21 21 ASP CA C 54.166 0.3 1 209 21 21 ASP CB C 40.834 0.3 1 210 21 21 ASP N N 124.953 0.3 1 211 22 22 ILE H H 7.275 0.020 1 212 22 22 ILE HA H 4.362 0.020 1 213 22 22 ILE HB H 1.536 0.020 1 214 22 22 ILE HG12 H 1.507 0.020 2 215 22 22 ILE HG13 H 1.187 0.020 2 216 22 22 ILE HG2 H 0.578 0.020 1 217 22 22 ILE HD1 H 0.726 0.020 1 218 22 22 ILE C C 170.755 0.3 1 219 22 22 ILE CA C 59.233 0.3 1 220 22 22 ILE CB C 41.728 0.3 1 221 22 22 ILE CG1 C 28.774 0.3 1 222 22 22 ILE CG2 C 16.899 0.3 1 223 22 22 ILE CD1 C 15.007 0.3 1 224 22 22 ILE N N 125.491 0.3 1 225 23 23 GLU H H 7.014 0.020 1 226 23 23 GLU HA H 4.702 0.020 1 227 23 23 GLU HB2 H 2.038 0.020 1 228 23 23 GLU HB3 H 2.038 0.020 2 229 23 23 GLU C C 176.511 0.3 1 230 23 23 GLU CA C 54.291 0.3 1 231 23 23 GLU CB C 32.242 0.3 1 232 23 23 GLU N N 118.789 0.3 1 233 24 24 GLY H H 8.100 0.020 1 234 24 24 GLY HA2 H 4.379 0.020 2 235 24 24 GLY HA3 H 4.152 0.020 2 236 24 24 GLY C C 171.469 0.3 1 237 24 24 GLY CA C 46.012 0.3 1 238 24 24 GLY N N 106.688 0.3 1 239 25 25 TYR H H 9.242 0.020 1 240 25 25 TYR HA H 5.735 0.020 1 241 25 25 TYR HB2 H 2.865 0.020 2 242 25 25 TYR HB3 H 2.754 0.020 2 243 25 25 TYR HD1 H 6.994 0.020 1 244 25 25 TYR HD2 H 6.994 0.020 1 245 25 25 TYR HE1 H 6.796 0.020 1 246 25 25 TYR HE2 H 6.796 0.020 1 247 25 25 TYR C C 175.862 0.3 1 248 25 25 TYR CA C 56.587 0.3 1 249 25 25 TYR CB C 42.879 0.3 1 250 25 25 TYR CD1 C 132.724 0.3 1 251 25 25 TYR CE1 C 117.963 0.3 1 252 25 25 TYR N N 119.724 0.3 1 253 26 26 THR H H 9.138 0.020 1 254 26 26 THR HA H 4.782 0.020 1 255 26 26 THR HB H 4.258 0.020 1 256 26 26 THR HG2 H 0.932 0.020 1 257 26 26 THR C C 171.533 0.3 1 258 26 26 THR CA C 61.853 0.3 1 259 26 26 THR CB C 70.576 0.3 1 260 26 26 THR CG2 C 17.683 0.3 1 261 26 26 THR N N 115.135 0.3 1 262 27 27 THR H H 7.917 0.020 1 263 27 27 THR HA H 5.956 0.020 1 264 27 27 THR HB H 4.730 0.020 1 265 27 27 THR HG2 H 1.263 0.020 1 266 27 27 THR C C 174.337 0.3 1 267 27 27 THR CA C 59.229 0.3 1 268 27 27 THR CB C 67.746 0.3 1 269 27 27 THR CG2 C 22.312 0.3 1 270 27 27 THR N N 109.590 0.3 1 271 28 28 PRO HA H 4.206 0.020 1 272 28 28 PRO HB2 H 2.423 0.020 2 273 28 28 PRO HB3 H 2.107 0.020 2 274 28 28 PRO HG2 H 2.206 0.020 2 275 28 28 PRO HG3 H 1.855 0.020 2 276 28 28 PRO HD2 H 3.913 0.020 1 277 28 28 PRO HD3 H 3.913 0.020 1 278 28 28 PRO C C 179.697 0.3 1 279 28 28 PRO CA C 65.472 0.3 1 280 28 28 PRO CB C 32.043 0.3 1 281 28 28 PRO CG C 28.003 0.3 1 282 28 28 PRO CD C 50.650 0.3 1 283 29 29 SER H H 8.868 0.020 1 284 29 29 SER HA H 4.288 0.020 1 285 29 29 SER HB2 H 3.776 0.020 1 286 29 29 SER HB3 H 3.776 0.020 1 287 29 29 SER C C 177.170 0.3 1 288 29 29 SER CA C 61.384 0.3 1 289 29 29 SER CB C 61.384 0.3 1 290 29 29 SER N N 110.505 0.3 1 291 30 30 VAL H H 7.547 0.020 1 292 30 30 VAL HA H 3.689 0.020 1 293 30 30 VAL HB H 2.576 0.020 1 294 30 30 VAL HG1 H 1.243 0.020 1 295 30 30 VAL HG2 H 0.986 0.020 1 296 30 30 VAL C C 177.422 0.3 1 297 30 30 VAL CA C 66.801 0.3 1 298 30 30 VAL CB C 31.366 0.3 1 299 30 30 VAL CG1 C 23.703 0.3 1 300 30 30 VAL CG2 C 21.544 0.3 1 301 30 30 VAL N N 124.754 0.3 1 302 31 31 VAL H H 7.126 0.020 1 303 31 31 VAL HA H 3.262 0.020 1 304 31 31 VAL HB H 2.253 0.020 1 305 31 31 VAL HG1 H 0.951 0.020 1 306 31 31 VAL HG2 H 0.871 0.020 1 307 31 31 VAL C C 178.847 0.3 1 308 31 31 VAL CA C 66.478 0.3 1 309 31 31 VAL CB C 30.973 0.3 1 310 31 31 VAL CG1 C 21.915 0.3 1 311 31 31 VAL CG2 C 20.830 0.3 1 312 31 31 VAL N N 117.035 0.3 1 313 32 32 GLU H H 7.564 0.020 1 314 32 32 GLU HA H 3.970 0.020 1 315 32 32 GLU HB2 H 2.072 0.020 2 316 32 32 GLU HB3 H 2.005 0.020 2 317 32 32 GLU HG2 H 2.352 0.020 2 318 32 32 GLU HG3 H 2.279 0.020 2 319 32 32 GLU C C 177.359 0.3 1 320 32 32 GLU CA C 58.172 0.3 1 321 32 32 GLU CB C 30.166 0.3 1 322 32 32 GLU CG C 36.347 0.3 1 323 32 32 GLU N N 115.499 0.3 1 324 33 33 GLU H H 7.537 0.020 1 325 33 33 GLU HA H 4.205 0.020 1 326 33 33 GLU HB2 H 2.328 0.020 1 327 33 33 GLU HB3 H 2.328 0.020 2 328 33 33 GLU C C 176.932 0.3 1 329 33 33 GLU CA C 57.475 0.3 1 330 33 33 GLU CB C 29.857 0.3 1 331 33 33 GLU CG C 36.398 0.3 1 332 33 33 GLU N N 116.652 0.3 1 333 34 34 ILE H H 7.291 0.020 1 334 34 34 ILE HA H 4.024 0.020 1 335 34 34 ILE HB H 2.038 0.020 1 336 34 34 ILE HG12 H 1.657 0.020 2 337 34 34 ILE HG13 H 1.477 0.020 2 338 34 34 ILE HG2 H 0.822 0.020 1 339 34 34 ILE HD1 H 0.885 0.020 1 340 34 34 ILE C C 175.043 0.3 1 341 34 34 ILE CA C 61.116 0.3 1 342 34 34 ILE CB C 35.981 0.3 1 343 34 34 ILE CG1 C 27.165 0.3 1 344 34 34 ILE CG2 C 18.276 0.3 1 345 34 34 ILE CD1 C 13.403 0.3 1 346 34 34 ILE N N 120.124 0.3 1 347 35 35 LYS H H 8.174 0.020 1 348 35 35 LYS HA H 4.404 0.020 1 349 35 35 LYS HB2 H 1.931 0.020 2 350 35 35 LYS HB3 H 1.757 0.020 2 351 35 35 LYS HG2 H 1.491 0.020 2 352 35 35 LYS HG3 H 1.455 0.020 2 353 35 35 LYS HD2 H 1.676 0.020 2 354 35 35 LYS HD3 H 1.502 0.020 2 355 35 35 LYS C C 176.879 0.3 1 356 35 35 LYS CA C 56.043 0.3 1 357 35 35 LYS CB C 34.130 0.3 1 358 35 35 LYS CG C 24.727 0.3 1 359 35 35 LYS CD C 29.047 0.3 1 360 35 35 LYS CE C 42.426 0.3 1 361 35 35 LYS N N 125.475 0.3 1 362 36 36 ASP H H 7.945 0.020 1 363 36 36 ASP HA H 4.649 0.020 1 364 36 36 ASP HB2 H 2.807 0.020 2 365 36 36 ASP HB3 H 2.635 0.020 2 366 36 36 ASP C C 175.864 0.3 1 367 36 36 ASP CA C 54.043 0.3 1 368 36 36 ASP CB C 42.511 0.3 1 369 36 36 ASP N N 120.342 0.3 1 370 37 37 ARG H H 8.641 0.020 1 371 37 37 ARG HA H 3.930 0.020 1 372 37 37 ARG HB2 H 1.963 0.020 2 373 37 37 ARG HB3 H 1.868 0.020 2 374 37 37 ARG C C 177.823 0.3 1 375 37 37 ARG CA C 59.510 0.3 1 376 37 37 ARG CB C 30.420 0.3 1 377 37 37 ARG CG C 26.997 0.3 1 378 37 37 ARG CD C 43.200 0.3 1 379 37 37 ARG N N 124.586 0.3 1 380 38 38 GLU H H 8.659 0.020 1 381 38 38 GLU HA H 4.014 0.020 1 382 38 38 GLU HB2 H 2.136 0.020 2 383 38 38 GLU HB3 H 2.062 0.020 2 384 38 38 GLU HG2 H 2.444 0.020 2 385 38 38 GLU HG3 H 2.353 0.020 2 386 38 38 GLU C C 179.748 0.3 1 387 38 38 GLU CA C 59.966 0.3 1 388 38 38 GLU CB C 29.038 0.3 1 389 38 38 GLU CG C 36.925 0.3 1 390 38 38 GLU N N 117.285 0.3 1 391 39 39 SER H H 8.089 0.020 1 392 39 39 SER HA H 4.484 0.020 1 393 39 39 SER HB2 H 3.888 0.020 1 394 39 39 SER HB3 H 3.705 0.020 1 395 39 39 SER C C 175.528 0.3 1 396 39 39 SER CA C 61.491 0.3 1 397 39 39 SER CB C 62.739 0.3 1 398 39 39 SER N N 116.786 0.3 1 399 40 40 LYS H H 8.258 0.020 1 400 40 40 LYS HA H 3.842 0.020 1 401 40 40 LYS HB2 H 1.913 0.020 2 402 40 40 LYS HB3 H 1.747 0.020 2 403 40 40 LYS HG2 H 1.690 0.020 2 404 40 40 LYS HG3 H 1.394 0.020 2 405 40 40 LYS C C 178.359 0.3 1 406 40 40 LYS CA C 59.871 0.3 1 407 40 40 LYS CB C 32.141 0.3 1 408 40 40 LYS CG C 24.443 0.3 1 409 40 40 LYS CD C 28.918 0.3 1 410 40 40 LYS CE C 41.532 0.3 1 411 40 40 LYS N N 123.024 0.3 1 412 41 41 ILE H H 8.121 0.020 1 413 41 41 ILE HA H 3.799 0.020 1 414 41 41 ILE HB H 1.956 0.020 1 415 41 41 ILE HG12 H 1.713 0.020 2 416 41 41 ILE HG13 H 1.226 0.020 2 417 41 41 ILE HG2 H 0.972 0.020 1 418 41 41 ILE HD1 H 0.853 0.020 1 419 41 41 ILE C C 178.857 0.3 1 420 41 41 ILE CA C 64.750 0.3 1 421 41 41 ILE CB C 37.928 0.3 1 422 41 41 ILE CG1 C 29.093 0.3 1 423 41 41 ILE CG2 C 17.135 0.3 1 424 41 41 ILE CD1 C 13.193 0.3 1 425 41 41 ILE N N 119.303 0.3 1 426 42 42 PHE H H 7.888 0.020 1 427 42 42 PHE HA H 4.367 0.020 1 428 42 42 PHE HB2 H 3.406 0.020 2 429 42 42 PHE HB3 H 3.307 0.020 2 430 42 42 PHE HD1 H 7.386 0.020 1 431 42 42 PHE HD2 H 7.386 0.020 1 432 42 42 PHE HE1 H 7.347 0.020 1 433 42 42 PHE HE2 H 7.347 0.020 1 434 42 42 PHE HZ H 7.112 0.020 1 435 42 42 PHE C C 177.960 0.3 1 436 42 42 PHE CA C 61.306 0.3 1 437 42 42 PHE CB C 39.266 0.3 1 438 42 42 PHE CD1 C 131.388 0.3 1 439 42 42 PHE CE1 C 131.370 0.3 1 440 42 42 PHE CZ C 130.857 0.3 1 441 42 42 PHE N N 122.429 0.3 1 442 43 43 LEU H H 8.437 0.020 1 443 43 43 LEU HA H 3.637 0.020 1 444 43 43 LEU HB2 H 1.949 0.020 2 445 43 43 LEU HB3 H 1.094 0.020 2 446 43 43 LEU HG H 1.168 0.020 1 447 43 43 LEU HD1 H -0.162 0.020 1 448 43 43 LEU HD2 H 0.580 0.020 1 449 43 43 LEU C C 177.990 0.3 1 450 43 43 LEU CA C 58.653 0.3 1 451 43 43 LEU CB C 41.187 0.3 1 452 43 43 LEU CG C 26.746 0.3 1 453 43 43 LEU CD1 C 22.058 0.3 1 454 43 43 LEU CD2 C 27.182 0.3 1 455 43 43 LEU N N 121.513 0.3 1 456 44 44 GLU H H 8.621 0.020 1 457 44 44 GLU HA H 3.780 0.020 1 458 44 44 GLU HB2 H 2.123 0.020 2 459 44 44 GLU HB3 H 1.995 0.020 2 460 44 44 GLU HG2 H 2.446 0.020 2 461 44 44 GLU HG3 H 2.345 0.020 2 462 44 44 GLU C C 179.546 0.3 1 463 44 44 GLU CA C 59.771 0.3 1 464 44 44 GLU CB C 28.664 0.3 1 465 44 44 GLU CG C 36.596 0.3 1 466 44 44 GLU N N 117.470 0.3 1 467 45 45 SER H H 8.299 0.020 1 468 45 45 SER HA H 4.305 0.020 1 469 45 45 SER HB2 H 4.005 0.020 1 470 45 45 SER HB3 H 4.005 0.020 1 471 45 45 SER C C 176.745 0.3 1 472 45 45 SER CA C 61.343 0.3 1 473 45 45 SER CB C 62.293 0.3 1 474 45 45 SER N N 117.566 0.3 1 475 46 46 LEU H H 7.613 0.020 1 476 46 46 LEU HA H 4.032 0.020 1 477 46 46 LEU HB2 H 1.881 0.020 2 478 46 46 LEU HB3 H 1.252 0.020 2 479 46 46 LEU HG H 1.263 0.020 1 480 46 46 LEU HD1 H 0.807 0.020 1 481 46 46 LEU HD2 H 0.700 0.020 1 482 46 46 LEU C C 180.383 0.3 1 483 46 46 LEU CA C 58.321 0.3 1 484 46 46 LEU CB C 41.945 0.3 1 485 46 46 LEU CG C 26.330 0.3 1 486 46 46 LEU CD1 C 24.201 0.3 1 487 46 46 LEU CD2 C 22.560 0.3 1 488 46 46 LEU N N 124.196 0.3 1 489 47 47 ILE H H 8.256 0.020 1 490 47 47 ILE HA H 4.239 0.020 1 491 47 47 ILE HB H 1.768 0.020 1 492 47 47 ILE HG12 H 1.524 0.020 2 493 47 47 ILE HG13 H 0.726 0.020 2 494 47 47 ILE HG2 H 0.898 0.020 1 495 47 47 ILE HD1 H 0.602 0.020 1 496 47 47 ILE C C 181.474 0.3 1 497 47 47 ILE CA C 64.354 0.3 1 498 47 47 ILE CB C 38.459 0.3 1 499 47 47 ILE CG1 C 28.739 0.3 1 500 47 47 ILE CG2 C 16.904 0.3 1 501 47 47 ILE CD1 C 13.956 0.3 1 502 47 47 ILE N N 122.104 0.3 1 503 48 48 SER H H 8.770 0.020 1 504 48 48 SER HA H 4.186 0.020 1 505 48 48 SER HB2 H 3.961 0.020 1 506 48 48 SER HB3 H 3.961 0.020 1 507 48 48 SER C C 175.868 0.3 1 508 48 48 SER CA C 61.603 0.3 1 509 48 48 SER CB C 62.539 0.3 1 510 48 48 SER N N 118.493 0.3 1 511 49 49 ALA H H 7.489 0.020 1 512 49 49 ALA HA H 4.391 0.020 1 513 49 49 ALA HB H 1.529 0.020 1 514 49 49 ALA C C 177.680 0.3 1 515 49 49 ALA CA C 52.377 0.3 1 516 49 49 ALA CB C 19.390 0.3 1 517 49 49 ALA N N 119.479 0.3 1 518 50 50 GLY H H 7.875 0.020 1 519 50 50 GLY HA2 H 4.148 0.020 2 520 50 50 GLY HA3 H 3.814 0.020 2 521 50 50 GLY C C 174.081 0.3 1 522 50 50 GLY CA C 45.030 0.3 1 523 50 50 GLY N N 106.323 0.3 1 524 51 51 LYS H H 7.772 0.020 1 525 51 51 LYS HA H 4.088 0.020 1 526 51 51 LYS HB2 H 2.053 0.020 2 527 51 51 LYS HB3 H 1.735 0.020 2 528 51 51 LYS HG2 H 1.644 0.020 2 529 51 51 LYS HG3 H 1.414 0.020 2 530 51 51 LYS HD2 H 1.712 0.020 2 531 51 51 LYS HD3 H 1.579 0.020 2 532 51 51 LYS HE2 H 2.882 0.020 1 533 51 51 LYS HE3 H 2.882 0.020 1 534 51 51 LYS C C 175.977 0.3 1 535 51 51 LYS CA C 58.527 0.3 1 536 51 51 LYS CB C 33.889 0.3 1 537 51 51 LYS CG C 26.043 0.3 1 538 51 51 LYS CD C 29.734 0.3 1 539 51 51 LYS CE C 41.534 0.3 1 540 51 51 LYS N N 118.430 0.3 1 541 52 52 VAL H H 6.671 0.020 1 542 52 52 VAL HA H 4.976 0.020 1 543 52 52 VAL HB H 1.251 0.020 1 544 52 52 VAL HG1 H 0.944 0.020 1 545 52 52 VAL HG2 H 0.681 0.020 1 546 52 52 VAL C C 174.131 0.3 1 547 52 52 VAL CA C 59.418 0.3 1 548 52 52 VAL CB C 34.169 0.3 1 549 52 52 VAL CG1 C 23.719 0.3 1 550 52 52 VAL CG2 C 21.469 0.3 1 551 52 52 VAL N N 116.639 0.3 1 552 53 53 LYS H H 7.948 0.020 1 553 53 53 LYS HA H 4.436 0.020 1 554 53 53 LYS HB2 H 1.548 0.020 2 555 53 53 LYS HB3 H 0.985 0.020 2 556 53 53 LYS HG2 H 1.199 0.020 2 557 53 53 LYS HG3 H 1.138 0.020 2 558 53 53 LYS HD2 H 1.412 0.020 1 559 53 53 LYS HD3 H 1.412 0.020 1 560 53 53 LYS HE2 H 2.900 0.020 2 561 53 53 LYS HE3 H 2.791 0.020 2 562 53 53 LYS C C 174.364 0.3 1 563 53 53 LYS CA C 53.896 0.3 1 564 53 53 LYS CB C 34.921 0.3 1 565 53 53 LYS CG C 24.998 0.3 1 566 53 53 LYS CD C 28.816 0.3 1 567 53 53 LYS CE C 41.996 0.3 1 568 53 53 LYS N N 126.272 0.3 1 569 54 54 ILE H H 8.433 0.020 1 570 54 54 ILE HA H 4.581 0.020 1 571 54 54 ILE HB H 1.757 0.020 1 572 54 54 ILE HG12 H 1.379 0.020 2 573 54 54 ILE HG13 H 0.950 0.020 2 574 54 54 ILE HG2 H 0.733 0.020 1 575 54 54 ILE HD1 H 0.622 0.020 1 576 54 54 ILE C C 175.988 0.3 1 577 54 54 ILE CA C 59.245 0.3 1 578 54 54 ILE CB C 37.389 0.3 1 579 54 54 ILE CG1 C 27.167 0.3 1 580 54 54 ILE CG2 C 17.183 0.3 1 581 54 54 ILE CD1 C 12.587 0.3 1 582 54 54 ILE N N 122.204 0.3 1 583 55 55 ALA H H 9.197 0.020 1 584 55 55 ALA HA H 4.747 0.020 1 585 55 55 ALA HB H 1.369 0.020 1 586 55 55 ALA C C 173.904 0.3 1 587 55 55 ALA CA C 50.853 0.3 1 588 55 55 ALA CB C 23.098 0.3 1 589 55 55 ALA N N 131.213 0.3 1 590 56 56 GLU H H 8.250 0.020 1 591 56 56 GLU HA H 4.960 0.020 1 592 56 56 GLU HB2 H 2.032 0.020 2 593 56 56 GLU HB3 H 1.861 0.020 2 594 56 56 GLU C C 174.706 0.3 1 595 56 56 GLU CA C 52.131 0.3 1 596 56 56 GLU CB C 32.022 0.3 1 597 56 56 GLU N N 117.419 0.3 1 598 57 57 PRO HA H 4.674 0.020 1 599 57 57 PRO HB2 H 2.207 0.020 2 600 57 57 PRO HB3 H 1.836 0.020 2 601 57 57 PRO HG2 H 2.480 0.020 2 602 57 57 PRO HG3 H 2.096 0.020 2 603 57 57 PRO HD2 H 4.054 0.020 2 604 57 57 PRO HD3 H 3.676 0.020 2 605 57 57 PRO C C 175.124 0.3 1 606 57 57 PRO CA C 61.482 0.3 1 607 57 57 PRO CB C 32.613 0.3 1 608 57 57 PRO CG C 26.263 0.3 1 609 57 57 PRO CD C 49.933 0.3 1 610 58 58 SER H H 10.041 0.020 1 611 58 58 SER HA H 4.421 0.020 1 612 58 58 SER HB2 H 4.649 0.020 1 613 58 58 SER HB3 H 4.222 0.020 1 614 58 58 SER C C 175.137 0.3 1 615 58 58 SER CA C 58.151 0.3 1 616 58 58 SER CB C 65.174 0.3 1 617 58 58 SER N N 117.943 0.3 1 618 59 59 LYS H H 8.756 0.020 1 619 59 59 LYS HA H 3.920 0.020 1 620 59 59 LYS HB2 H 1.937 0.020 2 621 59 59 LYS HB3 H 1.821 0.020 2 622 59 59 LYS HE2 H 2.340 0.020 1 623 59 59 LYS HE3 H 2.340 0.020 1 624 59 59 LYS C C 178.138 0.3 1 625 59 59 LYS CA C 59.534 0.3 1 626 59 59 LYS CB C 32.305 0.3 1 627 59 59 LYS CG C 24.528 0.3 1 628 59 59 LYS CD C 28.554 0.3 1 629 59 59 LYS N N 122.229 0.3 1 630 60 60 GLU H H 8.676 0.020 1 631 60 60 GLU HA H 4.094 0.020 1 632 60 60 GLU HB2 H 2.113 0.020 1 633 60 60 GLU HB3 H 2.113 0.020 2 634 60 60 GLU C C 179.668 0.3 1 635 60 60 GLU CA C 60.215 0.3 1 636 60 60 GLU CB C 28.793 0.3 1 637 60 60 GLU N N 117.491 0.3 1 638 61 61 SER H H 7.836 0.020 1 639 61 61 SER HA H 4.254 0.020 1 640 61 61 SER HB2 H 4.200 0.020 1 641 61 61 SER HB3 H 4.200 0.020 1 642 61 61 SER C C 175.515 0.3 1 643 61 61 SER CA C 61.572 0.3 1 644 61 61 SER N N 118.226 0.3 1 645 62 62 ILE H H 7.811 0.020 1 646 62 62 ILE HA H 3.342 0.020 1 647 62 62 ILE HB H 1.976 0.020 1 648 62 62 ILE HG12 H 1.609 0.020 2 649 62 62 ILE HG13 H 0.773 0.020 2 650 62 62 ILE HG2 H 0.878 0.020 1 651 62 62 ILE HD1 H 0.844 0.020 1 652 62 62 ILE C C 177.316 0.3 1 653 62 62 ILE CA C 65.968 0.3 1 654 62 62 ILE CB C 37.688 0.3 1 655 62 62 ILE CG1 C 29.307 0.3 1 656 62 62 ILE CG2 C 16.902 0.3 1 657 62 62 ILE CD1 C 13.491 0.3 1 658 62 62 ILE N N 123.056 0.3 1 659 63 63 ASP H H 8.547 0.020 1 660 63 63 ASP HA H 4.322 0.020 1 661 63 63 ASP HB2 H 2.732 0.020 1 662 63 63 ASP HB3 H 2.732 0.020 2 663 63 63 ASP C C 179.055 0.3 1 664 63 63 ASP CA C 57.482 0.3 1 665 63 63 ASP CB C 40.051 0.3 1 666 63 63 ASP N N 118.355 0.3 1 667 64 64 ARG H H 7.537 0.020 1 668 64 64 ARG HA H 4.025 0.020 1 669 64 64 ARG HB2 H 1.805 0.020 1 670 64 64 ARG HB3 H 1.805 0.020 1 671 64 64 ARG HG2 H 1.300 0.020 1 672 64 64 ARG HG3 H 1.300 0.020 1 673 64 64 ARG HD2 H 3.026 0.020 1 674 64 64 ARG HD3 H 3.026 0.020 1 675 64 64 ARG C C 177.687 0.3 1 676 64 64 ARG CA C 58.182 0.3 1 677 64 64 ARG CB C 29.070 0.3 1 678 64 64 ARG CG C 26.347 0.3 1 679 64 64 ARG CD C 42.578 0.3 1 680 64 64 ARG N N 119.966 0.3 1 681 65 65 ILE H H 7.580 0.020 1 682 65 65 ILE HA H 3.495 0.020 1 683 65 65 ILE HB H 2.276 0.020 1 684 65 65 ILE HG12 H 1.963 0.020 2 685 65 65 ILE HG13 H 1.136 0.020 2 686 65 65 ILE HG2 H 0.903 0.020 1 687 65 65 ILE HD1 H 0.413 0.020 1 688 65 65 ILE C C 177.952 0.3 1 689 65 65 ILE CA C 62.197 0.3 1 690 65 65 ILE CB C 34.696 0.3 1 691 65 65 ILE CG1 C 27.427 0.3 1 692 65 65 ILE CG2 C 19.595 0.3 1 693 65 65 ILE CD1 C 10.169 0.3 1 694 65 65 ILE N N 118.440 0.3 1 695 66 66 ILE H H 8.413 0.020 1 696 66 66 ILE HA H 3.460 0.020 1 697 66 66 ILE HB H 1.949 0.020 1 698 66 66 ILE HG12 H 1.099 0.020 2 699 66 66 ILE HG13 H 0.836 0.020 2 700 66 66 ILE HG2 H 0.887 0.020 1 701 66 66 ILE HD1 H 0.841 0.020 1 702 66 66 ILE C C 177.687 0.3 1 703 66 66 ILE CA C 65.413 0.3 1 704 66 66 ILE CB C 37.369 0.3 1 705 66 66 ILE CG1 C 29.356 0.3 1 706 66 66 ILE CG2 C 17.176 0.3 1 707 66 66 ILE CD1 C 12.635 0.3 1 708 66 66 ILE N N 120.222 0.3 1 709 67 67 GLN H H 7.929 0.020 1 710 67 67 GLN HA H 3.961 0.020 1 711 67 67 GLN HB2 H 2.391 0.020 2 712 67 67 GLN HB3 H 2.213 0.020 2 713 67 67 GLN HG2 H 2.451 0.020 2 714 67 67 GLN HG3 H 2.387 0.020 2 715 67 67 GLN HE21 H 7.617 0.020 1 716 67 67 GLN HE22 H 6.759 0.020 1 717 67 67 GLN C C 178.849 0.3 1 718 67 67 GLN CA C 59.395 0.3 1 719 67 67 GLN CB C 27.968 0.3 1 720 67 67 GLN CG C 33.350 0.3 1 721 67 67 GLN N N 118.249 0.3 1 722 67 67 GLN NE2 N 112.285 0.3 1 723 68 68 VAL H H 7.811 0.020 1 724 68 68 VAL HA H 3.820 0.020 1 725 68 68 VAL HB H 2.058 0.020 1 726 68 68 VAL HG1 H 1.022 0.020 1 727 68 68 VAL HG2 H 0.935 0.020 1 728 68 68 VAL C C 178.442 0.3 1 729 68 68 VAL CA C 65.745 0.3 1 730 68 68 VAL CB C 31.757 0.3 1 731 68 68 VAL CG1 C 22.595 0.3 1 732 68 68 VAL CG2 C 22.036 0.3 1 733 68 68 VAL N N 119.041 0.3 1 734 69 69 ALA H H 8.824 0.020 1 735 69 69 ALA HA H 3.939 0.020 1 736 69 69 ALA HB H 1.246 0.020 1 737 69 69 ALA C C 179.998 0.3 1 738 69 69 ALA CA C 54.796 0.3 1 739 69 69 ALA CB C 17.835 0.3 1 740 69 69 ALA N N 122.910 0.3 1 741 70 70 LYS H H 8.641 0.020 1 742 70 70 LYS HA H 4.019 0.020 1 743 70 70 LYS HB2 H 1.977 0.020 2 744 70 70 LYS HB3 H 1.939 0.020 2 745 70 70 LYS HG2 H 1.657 0.020 2 746 70 70 LYS HG3 H 1.423 0.020 2 747 70 70 LYS HE2 H 2.910 0.020 2 748 70 70 LYS HE3 H 2.857 0.020 2 749 70 70 LYS C C 179.505 0.3 1 750 70 70 LYS CA C 59.802 0.3 1 751 70 70 LYS CB C 32.580 0.3 1 752 70 70 LYS CG C 25.813 0.3 1 753 70 70 LYS CD C 29.573 0.3 1 754 70 70 LYS CE C 41.737 0.3 1 755 70 70 LYS N N 119.460 0.3 1 756 71 71 GLU H H 7.965 0.020 1 757 71 71 GLU HA H 4.126 0.020 1 758 71 71 GLU HB2 H 2.188 0.020 1 759 71 71 GLU HB3 H 2.188 0.020 1 760 71 71 GLU C C 178.341 0.3 1 761 71 71 GLU CA C 58.836 0.3 1 762 71 71 GLU CB C 29.393 0.3 1 763 71 71 GLU CG C 36.259 0.3 1 764 71 71 GLU N N 119.872 0.3 1 765 72 72 THR H H 7.799 0.020 1 766 72 72 THR HA H 4.352 0.020 1 767 72 72 THR HB H 4.313 0.020 1 768 72 72 THR HG2 H 1.226 0.020 1 769 72 72 THR C C 175.772 0.3 1 770 72 72 THR CA C 62.332 0.3 1 771 72 72 THR CB C 70.369 0.3 1 772 72 72 THR CG2 C 22.073 0.3 1 773 72 72 THR N N 107.140 0.3 1 774 73 73 GLY H H 7.668 0.020 1 775 73 73 GLY HA2 H 4.203 0.020 2 776 73 73 GLY HA3 H 3.948 0.020 2 777 73 73 GLY C C 174.856 0.3 1 778 73 73 GLY CA C 45.930 0.3 1 779 73 73 GLY N N 109.329 0.3 1 780 74 74 GLU H H 8.169 0.020 1 781 74 74 GLU HA H 4.516 0.020 1 782 74 74 GLU HB2 H 2.177 0.020 1 783 74 74 GLU HB3 H 2.177 0.020 2 784 74 74 GLU C C 177.003 0.3 1 785 74 74 GLU CA C 56.183 0.3 1 786 74 74 GLU CB C 30.392 0.3 1 787 74 74 GLU CG C 35.356 0.3 1 788 74 74 GLU N N 118.619 0.3 1 789 75 75 VAL H H 7.431 0.020 1 790 75 75 VAL HA H 3.697 0.020 1 791 75 75 VAL HB H 1.747 0.020 1 792 75 75 VAL HG1 H 0.986 0.020 1 793 75 75 VAL HG2 H 0.949 0.020 1 794 75 75 VAL C C 175.152 0.3 1 795 75 75 VAL CA C 64.682 0.3 1 796 75 75 VAL CB C 31.757 0.3 1 797 75 75 VAL CG1 C 21.595 0.3 1 798 75 75 VAL CG2 C 19.615 0.3 1 799 75 75 VAL N N 119.348 0.3 1 800 76 76 ASN H H 8.277 0.020 1 801 76 76 ASN HA H 4.647 0.020 1 802 76 76 ASN HB2 H 2.841 0.020 2 803 76 76 ASN HB3 H 2.736 0.020 2 804 76 76 ASN HD21 H 7.585 0.020 1 805 76 76 ASN HD22 H 6.849 0.020 1 806 76 76 ASN C C 175.344 0.3 1 807 76 76 ASN CA C 54.448 0.3 1 808 76 76 ASN CB C 38.272 0.3 1 809 76 76 ASN N N 117.648 0.3 1 810 76 76 ASN ND2 N 112.690 0.3 1 811 77 77 GLU H H 7.864 0.020 1 812 77 77 GLU HA H 4.358 0.020 1 813 77 77 GLU HB2 H 2.252 0.020 2 814 77 77 GLU HB3 H 1.849 0.020 2 815 77 77 GLU C C 175.909 0.3 1 816 77 77 GLU CA C 56.027 0.3 1 817 77 77 GLU CB C 30.197 0.3 1 818 77 77 GLU CG C 36.813 0.3 1 819 77 77 GLU N N 117.521 0.3 1 820 78 78 LEU H H 7.178 0.020 1 821 78 78 LEU HA H 4.673 0.020 1 822 78 78 LEU HB2 H 1.716 0.020 2 823 78 78 LEU HB3 H 1.470 0.020 2 824 78 78 LEU HG H 0.635 0.020 1 825 78 78 LEU HD1 H 1.222 0.020 1 826 78 78 LEU HD2 H 0.644 0.020 1 827 78 78 LEU C C 176.581 0.3 1 828 78 78 LEU CA C 53.821 0.3 1 829 78 78 LEU CB C 43.331 0.3 1 830 78 78 LEU CG C 26.337 0.3 1 831 78 78 LEU CD1 C 23.761 0.3 1 832 78 78 LEU CD2 C 21.716 0.3 1 833 78 78 LEU N N 119.109 0.3 1 834 79 79 SER H H 9.273 0.020 1 835 79 79 SER HA H 4.560 0.020 1 836 79 79 SER HB2 H 3.967 0.020 1 837 79 79 SER HB3 H 4.363 0.020 1 838 79 79 SER C C 174.172 0.3 1 839 79 79 SER CA C 56.361 0.3 1 840 79 79 SER CB C 65.728 0.3 1 841 79 79 SER N N 120.457 0.3 1 842 80 80 LYS H H 8.583 0.020 1 843 80 80 LYS HA H 3.948 0.020 1 844 80 80 LYS HB2 H 1.886 0.020 2 845 80 80 LYS HB3 H 1.778 0.020 2 846 80 80 LYS HG2 H 1.505 0.020 2 847 80 80 LYS HG3 H 1.343 0.020 2 848 80 80 LYS HD2 H 1.681 0.020 1 849 80 80 LYS HD3 H 1.681 0.020 1 850 80 80 LYS HE2 H 2.877 0.020 2 851 80 80 LYS HE3 H 3.087 0.020 2 852 80 80 LYS C C 178.557 0.3 1 853 80 80 LYS CA C 60.776 0.3 1 854 80 80 LYS CB C 32.544 0.3 1 855 80 80 LYS CG C 24.733 0.3 1 856 80 80 LYS CD C 29.568 0.3 1 857 80 80 LYS CE C 43.654 0.3 1 858 80 80 LYS N N 120.724 0.3 1 859 81 81 ALA H H 8.162 0.020 1 860 81 81 ALA HA H 3.972 0.020 1 861 81 81 ALA HB H 1.202 0.020 1 862 81 81 ALA C C 177.837 0.3 1 863 81 81 ALA CA C 55.245 0.3 1 864 81 81 ALA CB C 18.348 0.3 1 865 81 81 ALA N N 119.810 0.3 1 866 82 82 ASP H H 7.793 0.020 1 867 82 82 ASP HA H 4.160 0.020 1 868 82 82 ASP HB2 H 3.024 0.020 2 869 82 82 ASP HB3 H 2.365 0.020 2 870 82 82 ASP C C 177.948 0.3 1 871 82 82 ASP CA C 57.100 0.3 1 872 82 82 ASP CB C 41.201 0.3 1 873 82 82 ASP N N 117.428 0.3 1 874 83 83 ILE H H 7.855 0.020 1 875 83 83 ILE HA H 3.502 0.020 1 876 83 83 ILE HB H 1.988 0.020 1 877 83 83 ILE HG12 H 1.667 0.020 2 878 83 83 ILE HG13 H 0.909 0.020 2 879 83 83 ILE HG2 H 1.259 0.020 1 880 83 83 ILE HD1 H 0.716 0.020 1 881 83 83 ILE C C 177.509 0.3 1 882 83 83 ILE CA C 64.876 0.3 1 883 83 83 ILE CB C 37.663 0.3 1 884 83 83 ILE CG1 C 30.127 0.3 1 885 83 83 ILE CG2 C 17.973 0.3 1 886 83 83 ILE CD1 C 12.595 0.3 1 887 83 83 ILE N N 117.303 0.3 1 888 84 84 GLU H H 8.160 0.020 1 889 84 84 GLU HA H 3.823 0.020 1 890 84 84 GLU HB2 H 2.283 0.020 2 891 84 84 GLU HB3 H 2.016 0.020 2 892 84 84 GLU HG2 H 2.728 0.020 2 893 84 84 GLU HG3 H 2.093 0.020 2 894 84 84 GLU C C 178.524 0.3 1 895 84 84 GLU CA C 60.579 0.3 1 896 84 84 GLU CB C 30.150 0.3 1 897 84 84 GLU CG C 37.933 0.3 1 898 84 84 GLU N N 118.547 0.3 1 899 85 85 VAL H H 8.848 0.020 1 900 85 85 VAL HA H 3.623 0.020 1 901 85 85 VAL HB H 2.269 0.020 1 902 85 85 VAL HG1 H 1.189 0.020 1 903 85 85 VAL HG2 H 0.965 0.020 1 904 85 85 VAL C C 178.074 0.3 1 905 85 85 VAL CA C 66.766 0.3 1 906 85 85 VAL CB C 31.445 0.3 1 907 85 85 VAL CG1 C 23.745 0.3 1 908 85 85 VAL CG2 C 21.400 0.3 1 909 85 85 VAL N N 120.337 0.3 1 910 86 86 LEU H H 7.850 0.020 1 911 86 86 LEU HA H 3.789 0.020 1 912 86 86 LEU HB2 H 2.171 0.020 2 913 86 86 LEU HB3 H 1.122 0.020 2 914 86 86 LEU HG H 1.730 0.020 1 915 86 86 LEU HD1 H 0.930 0.020 1 916 86 86 LEU HD2 H 0.921 0.020 1 917 86 86 LEU C C 178.045 0.3 1 918 86 86 LEU CA C 58.411 0.3 1 919 86 86 LEU CB C 43.282 0.3 1 920 86 86 LEU CG C 27.948 0.3 1 921 86 86 LEU CD1 C 26.333 0.3 1 922 86 86 LEU CD2 C 23.328 0.3 1 923 86 86 LEU N N 120.523 0.3 1 924 87 87 ALA H H 8.704 0.020 1 925 87 87 ALA HA H 3.867 0.020 1 926 87 87 ALA HB H 1.360 0.020 1 927 87 87 ALA C C 179.013 0.3 1 928 87 87 ALA CA C 54.973 0.3 1 929 87 87 ALA CB C 18.791 0.3 1 930 87 87 ALA N N 120.596 0.3 1 931 88 88 LEU H H 8.831 0.020 1 932 88 88 LEU HA H 4.067 0.020 1 933 88 88 LEU HB2 H 1.918 0.020 2 934 88 88 LEU HB3 H 1.293 0.020 2 935 88 88 LEU HG H 0.705 0.020 1 936 88 88 LEU HD1 H 0.823 0.020 1 937 88 88 LEU HD2 H 0.639 0.020 1 938 88 88 LEU C C 178.211 0.3 1 939 88 88 LEU CA C 57.610 0.3 1 940 88 88 LEU CB C 41.811 0.3 1 941 88 88 LEU CG C 27.117 0.3 1 942 88 88 LEU CD1 C 25.549 0.3 1 943 88 88 LEU CD2 C 22.857 0.3 1 944 88 88 LEU N N 119.230 0.3 1 945 89 89 ALA H H 8.423 0.020 1 946 89 89 ALA HA H 3.686 0.020 1 947 89 89 ALA HB H 1.389 0.020 1 948 89 89 ALA C C 179.191 0.3 1 949 89 89 ALA CA C 56.200 0.3 1 950 89 89 ALA CB C 18.177 0.3 1 951 89 89 ALA N N 120.223 0.3 1 952 90 90 TYR H H 8.688 0.020 1 953 90 90 TYR HA H 4.150 0.020 1 954 90 90 TYR HB2 H 3.349 0.020 2 955 90 90 TYR HB3 H 3.109 0.020 2 956 90 90 TYR HD1 H 7.076 0.020 1 957 90 90 TYR HD2 H 7.076 0.020 1 958 90 90 TYR HE1 H 6.922 0.020 1 959 90 90 TYR HE2 H 6.922 0.020 1 960 90 90 TYR C C 177.663 0.3 1 961 90 90 TYR CA C 61.672 0.3 1 962 90 90 TYR CB C 38.676 0.3 1 963 90 90 TYR CD1 C 132.594 0.3 1 964 90 90 TYR CE1 C 118.284 0.3 1 965 90 90 TYR N N 117.864 0.3 1 966 91 91 GLU H H 8.557 0.020 1 967 91 91 GLU HA H 3.798 0.020 1 968 91 91 GLU HB2 H 2.540 0.020 2 969 91 91 GLU HB3 H 2.183 0.020 2 970 91 91 GLU C C 178.380 0.3 1 971 91 91 GLU CA C 59.603 0.3 1 972 91 91 GLU CB C 30.958 0.3 1 973 91 91 GLU CG C 36.420 0.3 1 974 91 91 GLU N N 121.649 0.3 1 975 92 92 LEU H H 8.143 0.020 1 976 92 92 LEU HA H 4.148 0.020 1 977 92 92 LEU HB2 H 1.362 0.020 2 978 92 92 LEU HB3 H 1.331 0.020 2 979 92 92 LEU HG H 1.623 0.020 1 980 92 92 LEU HD1 H 0.191 0.020 1 981 92 92 LEU HD2 H 0.587 0.020 1 982 92 92 LEU C C 176.466 0.3 1 983 92 92 LEU CA C 54.622 0.3 1 984 92 92 LEU CB C 41.972 0.3 1 985 92 92 LEU CG C 26.269 0.3 1 986 92 92 LEU CD1 C 25.001 0.3 1 987 92 92 LEU CD2 C 21.482 0.3 1 988 92 92 LEU N N 115.162 0.3 1 989 93 93 LYS H H 7.769 0.020 1 990 93 93 LYS HA H 3.748 0.020 1 991 93 93 LYS HB2 H 2.104 0.020 2 992 93 93 LYS HB3 H 1.797 0.020 2 993 93 93 LYS HG2 H 1.308 0.020 1 994 93 93 LYS HG3 H 1.308 0.020 1 995 93 93 LYS HE2 H 2.919 0.020 1 996 93 93 LYS HE3 H 2.919 0.020 1 997 93 93 LYS C C 176.872 0.3 1 998 93 93 LYS CA C 56.707 0.3 1 999 93 93 LYS CB C 28.529 0.3 1 1000 93 93 LYS CG C 24.688 0.3 1 1001 93 93 LYS CE C 42.332 0.3 1 1002 93 93 LYS N N 118.438 0.3 1 1003 94 94 GLY H H 8.611 0.020 1 1004 94 94 GLY HA2 H 4.554 0.020 2 1005 94 94 GLY HA3 H 3.232 0.020 2 1006 94 94 GLY C C 172.121 0.3 1 1007 94 94 GLY CA C 44.071 0.3 1 1008 94 94 GLY N N 104.932 0.3 1 1009 95 95 GLU H H 8.204 0.020 1 1010 95 95 GLU HA H 4.864 0.020 1 1011 95 95 GLU HB2 H 1.827 0.020 2 1012 95 95 GLU HB3 H 1.774 0.020 2 1013 95 95 GLU HG2 H 1.950 0.020 1 1014 95 95 GLU HG3 H 1.950 0.020 1 1015 95 95 GLU C C 176.897 0.3 1 1016 95 95 GLU CA C 54.038 0.3 1 1017 95 95 GLU CB C 32.547 0.3 1 1018 95 95 GLU CG C 36.379 0.3 1 1019 95 95 GLU N N 119.896 0.3 1 1020 96 96 ILE H H 8.321 0.020 1 1021 96 96 ILE HA H 4.892 0.020 1 1022 96 96 ILE HB H 1.523 0.020 1 1023 96 96 ILE HG12 H 1.189 0.020 2 1024 96 96 ILE HG13 H 0.807 0.020 2 1025 96 96 ILE HG2 H 0.773 0.020 1 1026 96 96 ILE HD1 H 0.816 0.020 1 1027 96 96 ILE C C 173.475 0.3 1 1028 96 96 ILE CA C 59.773 0.3 1 1029 96 96 ILE CB C 41.720 0.3 1 1030 96 96 ILE CG1 C 29.027 0.3 1 1031 96 96 ILE CG2 C 17.714 0.3 1 1032 96 96 ILE CD1 C 15.827 0.3 1 1033 96 96 ILE N N 122.806 0.3 1 1034 97 97 PHE H H 9.104 0.020 1 1035 97 97 PHE HA H 5.358 0.020 1 1036 97 97 PHE HB2 H 3.417 0.020 2 1037 97 97 PHE HB3 H 2.605 0.020 2 1038 97 97 PHE HD1 H 6.978 0.020 1 1039 97 97 PHE HD2 H 6.978 0.020 1 1040 97 97 PHE HE1 H 6.941 0.020 1 1041 97 97 PHE HE2 H 6.941 0.020 1 1042 97 97 PHE HZ H 7.114 0.020 1 1043 97 97 PHE C C 173.420 0.3 1 1044 97 97 PHE CA C 53.955 0.3 1 1045 97 97 PHE CB C 40.077 0.3 1 1046 97 97 PHE CD1 C 130.039 0.3 1 1047 97 97 PHE CE1 C 129.747 0.3 1 1048 97 97 PHE CZ C 129.037 0.3 1 1049 97 97 PHE N N 130.540 0.3 1 1050 98 98 SER H H 7.925 0.020 1 1051 98 98 SER HA H 4.481 0.020 1 1052 98 98 SER HB2 H 3.825 0.020 1 1053 98 98 SER HB3 H 3.079 0.020 1 1054 98 98 SER C C 173.708 0.3 1 1055 98 98 SER CA C 58.036 0.3 1 1056 98 98 SER CB C 65.697 0.3 1 1057 98 98 SER N N 114.132 0.3 1 1058 99 99 ASP H H 8.369 0.020 1 1059 99 99 ASP HA H 4.843 0.020 1 1060 99 99 ASP HB2 H 2.734 0.020 1 1061 99 99 ASP HB3 H 2.734 0.020 2 1062 99 99 ASP C C 175.490 0.3 1 1063 99 99 ASP CA C 53.337 0.3 1 1064 99 99 ASP CB C 42.095 0.3 1 1065 99 99 ASP N N 126.303 0.3 1 1066 100 100 ASP H H 8.753 0.020 1 1067 100 100 ASP HA H 4.523 0.020 1 1068 100 100 ASP HB2 H 2.755 0.020 1 1069 100 100 ASP HB3 H 2.755 0.020 2 1070 100 100 ASP C C 176.058 0.3 1 1071 100 100 ASP CA C 54.296 0.3 1 1072 100 100 ASP CB C 43.231 0.3 1 1073 100 100 ASP N N 122.952 0.3 1 1074 101 101 TYR H H 8.489 0.020 1 1075 101 101 TYR HA H 3.918 0.020 1 1076 101 101 TYR HB2 H 3.046 0.020 2 1077 101 101 TYR HB3 H 2.870 0.020 2 1078 101 101 TYR HD1 H 7.051 0.020 1 1079 101 101 TYR HD2 H 7.051 0.020 1 1080 101 101 TYR HE1 H 6.825 0.020 1 1081 101 101 TYR HE2 H 6.825 0.020 1 1082 101 101 TYR C C 177.013 0.3 1 1083 101 101 TYR CA C 60.760 0.3 1 1084 101 101 TYR CB C 38.486 0.3 1 1085 101 101 TYR CD1 C 133.084 0.3 1 1086 101 101 TYR CE1 C 117.962 0.3 1 1087 101 101 TYR N N 126.865 0.3 1 1088 102 102 ASN H H 8.178 0.020 1 1089 102 102 ASN HA H 4.334 0.020 1 1090 102 102 ASN HB2 H 2.968 0.020 2 1091 102 102 ASN HB3 H 2.416 0.020 2 1092 102 102 ASN HD21 H 8.331 0.020 1 1093 102 102 ASN HD22 H 7.109 0.020 1 1094 102 102 ASN C C 177.809 0.3 1 1095 102 102 ASN CA C 56.444 0.3 1 1096 102 102 ASN CB C 37.936 0.3 1 1097 102 102 ASN N N 117.785 0.3 1 1098 102 102 ASN ND2 N 114.687 0.3 1 1099 103 103 VAL H H 8.138 0.020 1 1100 103 103 VAL HA H 3.424 0.020 1 1101 103 103 VAL HB H 2.235 0.020 1 1102 103 103 VAL HG1 H 0.955 0.020 1 1103 103 103 VAL HG2 H 0.860 0.020 1 1104 103 103 VAL C C 177.454 0.3 1 1105 103 103 VAL CA C 66.513 0.3 1 1106 103 103 VAL CB C 31.485 0.3 1 1107 103 103 VAL CG1 C 22.311 0.3 1 1108 103 103 VAL CG2 C 21.342 0.3 1 1109 103 103 VAL N N 121.355 0.3 1 1110 104 104 GLN H H 7.802 0.020 1 1111 104 104 GLN HA H 2.909 0.020 1 1112 104 104 GLN HB2 H 1.461 0.020 2 1113 104 104 GLN HB3 H 0.951 0.020 2 1114 104 104 GLN HG2 H 1.953 0.020 2 1115 104 104 GLN HG3 H 1.158 0.020 2 1116 104 104 GLN HE21 H 7.295 0.020 1 1117 104 104 GLN HE22 H 6.555 0.020 1 1118 104 104 GLN C C 177.755 0.3 1 1119 104 104 GLN CA C 58.961 0.3 1 1120 104 104 GLN CB C 27.154 0.3 1 1121 104 104 GLN CG C 32.533 0.3 1 1122 104 104 GLN N N 117.281 0.3 1 1123 104 104 GLN NE2 N 108.243 0.3 1 1124 105 105 ASN H H 7.967 0.020 1 1125 105 105 ASN HA H 4.260 0.020 1 1126 105 105 ASN HB2 H 2.750 0.020 2 1127 105 105 ASN HB3 H 2.642 0.020 2 1128 105 105 ASN HD21 H 7.834 0.020 1 1129 105 105 ASN HD22 H 6.514 0.020 1 1130 105 105 ASN C C 177.765 0.3 1 1131 105 105 ASN CA C 56.523 0.3 1 1132 105 105 ASN CB C 38.732 0.3 1 1133 105 105 ASN N N 116.878 0.3 1 1134 105 105 ASN ND2 N 112.652 0.3 1 1135 106 106 ILE H H 7.771 0.020 1 1136 106 106 ILE HA H 3.683 0.020 1 1137 106 106 ILE HB H 1.925 0.020 1 1138 106 106 ILE HG12 H 1.570 0.020 2 1139 106 106 ILE HG13 H 1.400 0.020 2 1140 106 106 ILE HG2 H 0.855 0.020 1 1141 106 106 ILE HD1 H 0.652 0.020 1 1142 106 106 ILE C C 177.349 0.3 1 1143 106 106 ILE CA C 63.558 0.3 1 1144 106 106 ILE CB C 35.532 0.3 1 1145 106 106 ILE CG1 C 28.496 0.3 1 1146 106 106 ILE CG2 C 18.696 0.3 1 1147 106 106 ILE CD1 C 11.505 0.3 1 1148 106 106 ILE N N 118.502 0.3 1 1149 107 107 ALA H H 8.507 0.020 1 1150 107 107 ALA HA H 3.824 0.020 1 1151 107 107 ALA HB H 1.448 0.020 1 1152 107 107 ALA C C 179.509 0.3 1 1153 107 107 ALA CA C 56.202 0.3 1 1154 107 107 ALA CB C 17.457 0.3 1 1155 107 107 ALA N N 121.756 0.3 1 1156 108 108 SER H H 8.189 0.020 1 1157 108 108 SER HA H 4.404 0.020 1 1158 108 108 SER HB2 H 4.109 0.020 1 1159 108 108 SER HB3 H 4.109 0.020 1 1160 108 108 SER C C 178.192 0.3 1 1161 108 108 SER CA C 61.746 0.3 1 1162 108 108 SER CB C 62.859 0.3 1 1163 108 108 SER N N 112.032 0.3 1 1164 109 109 LEU H H 7.764 0.020 1 1165 109 109 LEU HA H 4.143 0.020 1 1166 109 109 LEU HB2 H 1.915 0.020 2 1167 109 109 LEU HB3 H 1.591 0.020 2 1168 109 109 LEU HG H 1.780 0.020 1 1169 109 109 LEU HD1 H 1.272 0.020 1 1170 109 109 LEU HD2 H 0.852 0.020 1 1171 109 109 LEU C C 179.088 0.3 1 1172 109 109 LEU CA C 57.863 0.3 1 1173 109 109 LEU CB C 41.999 0.3 1 1174 109 109 LEU CG C 26.699 0.3 1 1175 109 109 LEU CD1 C 24.712 0.3 1 1176 109 109 LEU CD2 C 23.602 0.3 1 1177 109 109 LEU N N 123.998 0.3 1 1178 110 110 LEU H H 7.807 0.020 1 1179 110 110 LEU HA H 4.352 0.020 1 1180 110 110 LEU HB2 H 1.915 0.020 2 1181 110 110 LEU HB3 H 1.762 0.020 2 1182 110 110 LEU HG H 0.705 0.020 1 1183 110 110 LEU HD1 H 0.746 0.020 1 1184 110 110 LEU HD2 H 0.668 0.020 1 1185 110 110 LEU C C 176.822 0.3 1 1186 110 110 LEU CA C 54.948 0.3 1 1187 110 110 LEU CB C 43.615 0.3 1 1188 110 110 LEU CG C 27.192 0.3 1 1189 110 110 LEU CD1 C 22.388 0.3 1 1190 110 110 LEU CD2 C 23.676 0.3 1 1191 110 110 LEU N N 117.407 0.3 1 1192 111 111 GLY H H 7.943 0.020 1 1193 111 111 GLY HA2 H 4.142 0.020 2 1194 111 111 GLY HA3 H 3.869 0.020 2 1195 111 111 GLY C C 174.657 0.3 1 1196 111 111 GLY CA C 45.942 0.3 1 1197 111 111 GLY N N 108.110 0.3 1 1198 112 112 LEU H H 8.320 0.020 1 1199 112 112 LEU HA H 4.600 0.020 1 1200 112 112 LEU HB2 H 1.693 0.020 2 1201 112 112 LEU HB3 H 1.541 0.020 2 1202 112 112 LEU HG H 0.933 0.020 1 1203 112 112 LEU HD1 H 0.938 0.020 1 1204 112 112 LEU HD2 H 0.665 0.020 1 1205 112 112 LEU C C 176.147 0.3 1 1206 112 112 LEU CA C 53.099 0.3 1 1207 112 112 LEU CB C 42.546 0.3 1 1208 112 112 LEU CG C 26.248 0.3 1 1209 112 112 LEU CD1 C 22.314 0.3 1 1210 112 112 LEU CD2 C 23.745 0.3 1 1211 112 112 LEU N N 120.494 0.3 1 1212 113 113 ARG H H 8.615 0.020 1 1213 113 113 ARG HA H 4.258 0.020 1 1214 113 113 ARG HB2 H 1.677 0.020 1 1215 113 113 ARG HB3 H 1.677 0.020 1 1216 113 113 ARG HG2 H 1.698 0.020 2 1217 113 113 ARG HG3 H 1.554 0.020 2 1218 113 113 ARG HD2 H 3.141 0.020 1 1219 113 113 ARG HD3 H 3.141 0.020 1 1220 113 113 ARG C C 174.712 0.3 1 1221 113 113 ARG CA C 55.650 0.3 1 1222 113 113 ARG CB C 31.326 0.3 1 1223 113 113 ARG CG C 27.483 0.3 1 1224 113 113 ARG CD C 43.104 0.3 1 1225 113 113 ARG N N 121.878 0.3 1 1226 114 114 PHE H H 7.721 0.020 1 1227 114 114 PHE HA H 5.765 0.020 1 1228 114 114 PHE HB2 H 3.020 0.020 2 1229 114 114 PHE HB3 H 2.721 0.020 2 1230 114 114 PHE HD1 H 6.946 0.020 1 1231 114 114 PHE HD2 H 6.946 0.020 1 1232 114 114 PHE HE1 H 7.212 0.020 1 1233 114 114 PHE HE2 H 7.212 0.020 1 1234 114 114 PHE HZ H 7.213 0.020 1 1235 114 114 PHE C C 173.527 0.3 1 1236 114 114 PHE CA C 54.997 0.3 1 1237 114 114 PHE CB C 42.561 0.3 1 1238 114 114 PHE CD1 C 131.877 0.3 1 1239 114 114 PHE CE1 C 131.384 0.3 1 1240 114 114 PHE CZ C 130.163 0.3 1 1241 114 114 PHE N N 117.113 0.3 1 1242 115 115 ARG H H 9.256 0.020 1 1243 115 115 ARG HA H 4.519 0.020 1 1244 115 115 ARG HB2 H 1.403 0.020 2 1245 115 115 ARG HB3 H 1.298 0.020 2 1246 115 115 ARG HG2 H 0.929 0.020 1 1247 115 115 ARG HG3 H 0.929 0.020 1 1248 115 115 ARG HD2 H 2.645 0.020 2 1249 115 115 ARG HD3 H 2.507 0.020 2 1250 115 115 ARG C C 173.291 0.3 1 1251 115 115 ARG CA C 54.141 0.3 1 1252 115 115 ARG CB C 33.103 0.3 1 1253 115 115 ARG CG C 26.108 0.3 1 1254 115 115 ARG CD C 43.196 0.3 1 1255 115 115 ARG N N 123.939 0.3 1 1256 116 116 THR H H 7.893 0.020 1 1257 116 116 THR HA H 4.619 0.020 1 1258 116 116 THR HB H 4.352 0.020 1 1259 116 116 THR HG2 H 0.868 0.020 1 1260 116 116 THR C C 173.937 0.3 1 1261 116 116 THR CA C 60.118 0.3 1 1262 116 116 THR CB C 70.246 0.3 1 1263 116 116 THR CG2 C 20.710 0.3 1 1264 116 116 THR N N 113.217 0.3 1 1265 117 117 LEU H H 8.749 0.020 1 1266 117 117 LEU HA H 4.406 0.020 1 1267 117 117 LEU HB2 H 1.640 0.020 2 1268 117 117 LEU HB3 H 1.596 0.020 2 1269 117 117 LEU HG H 0.953 0.020 1 1270 117 117 LEU HD1 H 0.732 0.020 1 1271 117 117 LEU HD2 H 0.668 0.020 1 1272 117 117 LEU C C 177.073 0.3 1 1273 117 117 LEU CA C 55.383 0.3 1 1274 117 117 LEU CB C 42.489 0.3 1 1275 117 117 LEU CG C 27.215 0.3 1 1276 117 117 LEU CD1 C 24.346 0.3 1 1277 117 117 LEU CD2 C 23.602 0.3 1 1278 117 117 LEU N N 125.186 0.3 1 1279 118 118 LYS H H 8.520 0.020 1 1280 118 118 LYS HA H 4.283 0.020 1 1281 118 118 LYS HB2 H 1.807 0.020 1 1282 118 118 LYS HB3 H 1.807 0.020 1 1283 118 118 LYS C C 176.168 0.3 1 1284 118 118 LYS CA C 56.307 0.3 1 1285 118 118 LYS CB C 32.700 0.3 1 1286 118 118 LYS N N 122.291 0.3 1 1287 119 119 ARG H H 8.256 0.020 1 1288 119 119 ARG HA H 4.356 0.020 1 1289 119 119 ARG HB2 H 1.820 0.020 1 1290 119 119 ARG HB3 H 1.820 0.020 1 1291 119 119 ARG C C 176.559 0.3 1 1292 119 119 ARG CA C 56.106 0.3 1 1293 119 119 ARG CB C 30.925 0.3 1 1294 119 119 ARG CG C 26.999 0.3 1 1295 119 119 ARG CD C 43.345 0.3 1 1296 119 119 ARG N N 121.676 0.3 1 1297 120 120 GLY H H 8.388 0.020 1 1298 120 120 GLY HA2 H 3.962 0.020 2 1299 120 120 GLY HA3 H 3.947 0.020 2 1300 120 120 GLY C C 173.894 0.3 1 1301 120 120 GLY CA C 45.267 0.3 1 1302 120 120 GLY N N 110.081 0.3 1 1303 121 121 ILE H H 7.946 0.020 1 1304 121 121 ILE HA H 4.172 0.020 1 1305 121 121 ILE HB H 1.861 0.020 1 1306 121 121 ILE HG12 H 1.421 0.020 2 1307 121 121 ILE HG13 H 1.179 0.020 2 1308 121 121 ILE HG2 H 0.931 0.020 1 1309 121 121 ILE HD1 H 0.849 0.020 1 1310 121 121 ILE C C 176.064 0.3 1 1311 121 121 ILE CA C 61.101 0.3 1 1312 121 121 ILE CB C 38.727 0.3 1 1313 121 121 ILE CG1 C 27.155 0.3 1 1314 121 121 ILE CG2 C 17.444 0.3 1 1315 121 121 ILE CD1 C 13.164 0.3 1 1316 121 121 ILE N N 119.542 0.3 1 1317 122 122 LYS H H 8.275 0.020 1 1318 122 122 LYS HA H 4.307 0.020 1 1319 122 122 LYS HB2 H 1.760 0.020 1 1320 122 122 LYS HB3 H 1.760 0.020 1 1321 122 122 LYS HG2 H 1.466 0.020 2 1322 122 122 LYS HG3 H 1.395 0.020 2 1323 122 122 LYS HD2 H 2.124 0.020 2 1324 122 122 LYS HD3 H 1.992 0.020 2 1325 122 122 LYS C C 175.973 0.3 1 1326 122 122 LYS CA C 56.288 0.3 1 1327 122 122 LYS CB C 33.022 0.3 1 1328 122 122 LYS CG C 24.716 0.3 1 1329 122 122 LYS CD C 29.039 0.3 1 1330 122 122 LYS CE C 42.000 0.3 1 1331 122 122 LYS N N 124.783 0.3 1 1332 123 123 LYS H H 8.188 0.020 1 1333 123 123 LYS HA H 4.295 0.020 1 1334 123 123 LYS HB2 H 1.688 0.020 2 1335 123 123 LYS HB3 H 1.588 0.020 2 1336 123 123 LYS C C 175.901 0.3 1 1337 123 123 LYS CA C 56.069 0.3 1 1338 123 123 LYS CB C 33.104 0.3 1 1339 123 123 LYS CG C 24.528 0.3 1 1340 123 123 LYS CE C 42.053 0.3 1 1341 123 123 LYS N N 123.081 0.3 1 1342 124 124 VAL H H 8.087 0.020 1 1343 124 124 VAL HA H 4.024 0.020 1 1344 124 124 VAL HB H 1.922 0.020 1 1345 124 124 VAL HG1 H 1.201 0.020 1 1346 124 124 VAL HG2 H 0.787 0.020 1 1347 124 124 VAL C C 175.553 0.3 1 1348 124 124 VAL CA C 62.063 0.3 1 1349 124 124 VAL CB C 32.877 0.3 1 1350 124 124 VAL CG1 C 22.643 0.3 1 1351 124 124 VAL CG2 C 21.110 0.3 1 1352 124 124 VAL N N 122.522 0.3 1 1353 125 125 ILE H H 8.125 0.020 1 1354 125 125 ILE HA H 3.930 0.020 1 1355 125 125 ILE HB H 1.521 0.020 1 1356 125 125 ILE HG12 H 1.328 0.020 2 1357 125 125 ILE HG13 H 1.000 0.020 2 1358 125 125 ILE HG2 H 0.400 0.020 1 1359 125 125 ILE HD1 H 0.741 0.020 1 1360 125 125 ILE C C 175.210 0.3 1 1361 125 125 ILE CA C 60.601 0.3 1 1362 125 125 ILE CB C 38.467 0.3 1 1363 125 125 ILE CG1 C 27.195 0.3 1 1364 125 125 ILE CG2 C 17.180 0.3 1 1365 125 125 ILE CD1 C 12.603 0.3 1 1366 125 125 ILE N N 126.170 0.3 1 1367 126 126 LYS H H 8.076 0.020 1 1368 126 126 LYS HA H 4.122 0.020 1 1369 126 126 LYS HB2 H 1.424 0.020 1 1370 126 126 LYS HB3 H 1.424 0.020 1 1371 126 126 LYS HG2 H 1.063 0.020 2 1372 126 126 LYS HG3 H 0.920 0.020 2 1373 126 126 LYS HD2 H 2.140 0.020 2 1374 126 126 LYS HD3 H 1.992 0.020 2 1375 126 126 LYS HE2 H 2.790 0.020 1 1376 126 126 LYS HE3 H 2.790 0.020 1 1377 126 126 LYS C C 175.529 0.3 1 1378 126 126 LYS CA C 55.777 0.3 1 1379 126 126 LYS CB C 33.108 0.3 1 1380 126 126 LYS CG C 24.484 0.3 1 1381 126 126 LYS CD C 29.083 0.3 1 1382 126 126 LYS CE C 42.017 0.3 1 1383 126 126 LYS N N 125.925 0.3 1 1384 127 127 TRP H H 7.747 0.020 1 1385 127 127 TRP HA H 4.730 0.020 1 1386 127 127 TRP HB2 H 3.085 0.020 2 1387 127 127 TRP HB3 H 3.061 0.020 2 1388 127 127 TRP HD1 H 7.217 0.020 1 1389 127 127 TRP HE1 H 10.126 0.020 1 1390 127 127 TRP HE3 H 7.235 0.020 1 1391 127 127 TRP HZ2 H 7.440 0.020 1 1392 127 127 TRP HZ3 H 7.042 0.020 1 1393 127 127 TRP HH2 H 7.182 0.020 1 1394 127 127 TRP C C 175.627 0.3 1 1395 127 127 TRP CA C 55.759 0.3 1 1396 127 127 TRP CB C 30.654 0.3 1 1397 127 127 TRP CD1 C 127.935 0.3 1 1398 127 127 TRP CE3 C 120.198 0.3 1 1399 127 127 TRP CZ2 C 114.532 0.3 1 1400 127 127 TRP CZ3 C 121.752 0.3 1 1401 127 127 TRP CH2 C 124.323 0.3 1 1402 127 127 TRP N N 121.230 0.3 1 1403 127 127 TRP NE1 N 129.084 0.3 1 1404 128 128 ARG H H 8.441 0.020 1 1405 128 128 ARG HA H 4.535 0.020 1 1406 128 128 ARG HB2 H 1.508 0.020 1 1407 128 128 ARG HB3 H 1.508 0.020 1 1408 128 128 ARG C C 174.484 0.3 1 1409 128 128 ARG CA C 56.200 0.3 1 1410 128 128 ARG CB C 34.362 0.3 1 1411 128 128 ARG N N 120.438 0.3 1 1412 129 129 TYR H H 8.441 0.020 1 1413 129 129 TYR HA H 5.495 0.020 1 1414 129 129 TYR HB2 H 2.887 0.020 2 1415 129 129 TYR HB3 H 2.627 0.020 2 1416 129 129 TYR HD1 H 6.597 0.020 1 1417 129 129 TYR HD2 H 6.597 0.020 1 1418 129 129 TYR HE1 H 6.743 0.020 1 1419 129 129 TYR HE2 H 6.743 0.020 1 1420 129 129 TYR C C 174.031 0.3 1 1421 129 129 TYR CA C 56.460 0.3 1 1422 129 129 TYR CB C 42.887 0.3 1 1423 129 129 TYR CD1 C 132.572 0.3 1 1424 129 129 TYR CE1 C 118.659 0.3 1 1425 129 129 TYR N N 116.750 0.3 1 1426 130 130 VAL H H 9.708 0.020 1 1427 130 130 VAL HA H 5.397 0.020 1 1428 130 130 VAL HB H 1.830 0.020 1 1429 130 130 VAL HG1 H 0.893 0.020 1 1430 130 130 VAL HG2 H 0.856 0.020 1 1431 130 130 VAL C C 172.414 0.3 1 1432 130 130 VAL CA C 58.912 0.3 1 1433 130 130 VAL CB C 35.769 0.3 1 1434 130 130 VAL CG1 C 21.187 0.3 1 1435 130 130 VAL CG2 C 18.970 0.3 1 1436 130 130 VAL N N 119.980 0.3 1 1437 131 131 CYS H H 9.291 0.020 1 1438 131 131 CYS HA H 4.674 0.020 1 1439 131 131 CYS HB2 H 3.262 0.020 2 1440 131 131 CYS HB3 H 2.929 0.020 2 1441 131 131 CYS C C 178.397 0.3 1 1442 131 131 CYS CA C 59.993 0.3 1 1443 131 131 CYS CB C 30.925 0.3 1 1444 131 131 CYS N N 129.161 0.3 1 1445 132 132 ILE H H 8.594 0.020 1 1446 132 132 ILE HA H 4.162 0.020 1 1447 132 132 ILE HB H 2.158 0.020 1 1448 132 132 ILE HG12 H 1.594 0.020 2 1449 132 132 ILE HG13 H 1.419 0.020 2 1450 132 132 ILE HG2 H 1.003 0.020 1 1451 132 132 ILE HD1 H 0.901 0.020 1 1452 132 132 ILE C C 175.676 0.3 1 1453 132 132 ILE CA C 63.547 0.3 1 1454 132 132 ILE CB C 37.880 0.3 1 1455 132 132 ILE CG1 C 26.059 0.3 1 1456 132 132 ILE CG2 C 17.994 0.3 1 1457 132 132 ILE CD1 C 14.223 0.3 1 1458 132 132 ILE N N 127.133 0.3 1 1459 133 133 GLY H H 9.913 0.020 1 1460 133 133 GLY HA2 H 4.193 0.020 2 1461 133 133 GLY HA3 H 3.861 0.020 2 1462 133 133 GLY C C 174.497 0.3 1 1463 133 133 GLY CA C 46.157 0.3 1 1464 133 133 GLY N N 115.957 0.3 1 1465 134 134 CYS H H 9.300 0.020 1 1466 134 134 CYS HA H 4.896 0.020 1 1467 134 134 CYS HB2 H 3.199 0.020 2 1468 134 134 CYS HB3 H 2.876 0.020 2 1469 134 134 CYS C C 177.307 0.3 1 1470 134 134 CYS CA C 59.227 0.3 1 1471 134 134 CYS CB C 32.265 0.3 1 1472 134 134 CYS N N 123.821 0.3 1 1473 135 135 GLY H H 7.524 0.020 1 1474 135 135 GLY HA2 H 4.110 0.020 2 1475 135 135 GLY HA3 H 3.784 0.020 2 1476 135 135 GLY C C 173.291 0.3 1 1477 135 135 GLY CA C 46.015 0.3 1 1478 135 135 GLY N N 111.507 0.3 1 1479 136 136 ARG H H 8.422 0.020 1 1480 136 136 ARG HA H 3.791 0.020 1 1481 136 136 ARG HB2 H 1.822 0.020 2 1482 136 136 ARG HB3 H 1.495 0.020 2 1483 136 136 ARG HG2 H 1.336 0.020 2 1484 136 136 ARG HG3 H 0.583 0.020 2 1485 136 136 ARG HD2 H 3.086 0.020 2 1486 136 136 ARG HD3 H 2.874 0.020 2 1487 136 136 ARG C C 173.588 0.3 1 1488 136 136 ARG CA C 58.182 0.3 1 1489 136 136 ARG CB C 30.420 0.3 1 1490 136 136 ARG CG C 27.455 0.3 1 1491 136 136 ARG CD C 43.605 0.3 1 1492 136 136 ARG N N 124.636 0.3 1 1493 137 137 LYS H H 7.546 0.020 1 1494 137 137 LYS HA H 5.094 0.020 1 1495 137 137 LYS HB2 H 1.201 0.020 2 1496 137 137 LYS HB3 H 0.465 0.020 2 1497 137 137 LYS HG2 H 1.073 0.020 1 1498 137 137 LYS HG3 H 1.073 0.020 1 1499 137 137 LYS HD2 H 1.284 0.020 2 1500 137 137 LYS HD3 H 1.006 0.020 2 1501 137 137 LYS HE2 H 2.533 0.020 2 1502 137 137 LYS HE3 H 2.485 0.020 2 1503 137 137 LYS C C 175.322 0.3 1 1504 137 137 LYS CA C 54.673 0.3 1 1505 137 137 LYS CB C 34.467 0.3 1 1506 137 137 LYS CG C 25.293 0.3 1 1507 137 137 LYS CD C 28.803 0.3 1 1508 137 137 LYS CE C 41.737 0.3 1 1509 137 137 LYS N N 122.179 0.3 1 1510 138 138 PHE H H 8.875 0.020 1 1511 138 138 PHE HA H 5.225 0.020 1 1512 138 138 PHE HB2 H 3.809 0.020 2 1513 138 138 PHE HB3 H 2.735 0.020 2 1514 138 138 PHE HD1 H 7.178 0.020 1 1515 138 138 PHE HD2 H 7.178 0.020 1 1516 138 138 PHE HE1 H 7.137 0.020 1 1517 138 138 PHE HE2 H 7.137 0.020 1 1518 138 138 PHE HZ H 7.801 0.020 1 1519 138 138 PHE C C 177.263 0.3 1 1520 138 138 PHE CA C 56.555 0.3 1 1521 138 138 PHE CB C 43.896 0.3 1 1522 138 138 PHE CD1 C 132.394 0.3 1 1523 138 138 PHE CE1 C 131.195 0.3 1 1524 138 138 PHE CZ C 128.957 0.3 1 1525 138 138 PHE N N 114.631 0.3 1 1526 139 139 SER HA H 4.909 0.020 1 1527 139 139 SER HB2 H 4.037 0.020 1 1528 139 139 SER HB3 H 3.840 0.020 1 1529 139 139 SER C C 173.564 0.3 1 1530 139 139 SER CA C 60.323 0.3 1 1531 139 139 SER CB C 64.058 0.3 1 1532 140 140 THR H H 7.616 0.020 1 1533 140 140 THR HA H 4.671 0.020 1 1534 140 140 THR HB H 4.150 0.020 1 1535 140 140 THR HG2 H 1.192 0.020 1 1536 140 140 THR C C 172.560 0.3 1 1537 140 140 THR CA C 59.750 0.3 1 1538 140 140 THR CB C 71.369 0.3 1 1539 140 140 THR CG2 C 21.537 0.3 1 1540 140 140 THR N N 112.426 0.3 1 1541 141 141 LEU H H 8.202 0.020 1 1542 141 141 LEU HA H 3.271 0.020 1 1543 141 141 LEU HB2 H 1.448 0.020 2 1544 141 141 LEU HB3 H 0.838 0.020 2 1545 141 141 LEU HG H 1.200 0.020 1 1546 141 141 LEU HD1 H 0.607 0.020 1 1547 141 141 LEU HD2 H 0.314 0.020 1 1548 141 141 LEU C C 174.566 0.3 1 1549 141 141 LEU CA C 53.238 0.3 1 1550 141 141 LEU CB C 42.103 0.3 1 1551 141 141 LEU CG C 25.281 0.3 1 1552 141 141 LEU CD1 C 25.571 0.3 1 1553 141 141 LEU CD2 C 24.054 0.3 1 1554 141 141 LEU N N 126.119 0.3 1 1555 142 142 PRO HA H 4.561 0.020 1 1556 142 142 PRO HB2 H 1.971 0.020 2 1557 142 142 PRO HB3 H 1.845 0.020 2 1558 142 142 PRO HG2 H 0.876 0.020 2 1559 142 142 PRO HG3 H 0.705 0.020 2 1560 142 142 PRO HD2 H 3.158 0.020 2 1561 142 142 PRO HD3 H 2.681 0.020 2 1562 142 142 PRO CA C 61.400 0.3 1 1563 142 142 PRO CB C 29.789 0.3 1 1564 142 142 PRO CG C 26.898 0.3 1 1565 142 142 PRO CD C 50.268 0.3 1 1566 143 143 PRO HA H 4.223 0.020 1 1567 143 143 PRO HB2 H 2.287 0.020 2 1568 143 143 PRO HB3 H 1.853 0.020 2 1569 143 143 PRO HG2 H 2.161 0.020 2 1570 143 143 PRO HG3 H 2.023 0.020 2 1571 143 143 PRO HD2 H 3.816 0.020 2 1572 143 143 PRO HD3 H 3.578 0.020 2 1573 143 143 PRO C C 178.755 0.3 1 1574 143 143 PRO CA C 64.151 0.3 1 1575 143 143 PRO CB C 31.449 0.3 1 1576 143 143 PRO CG C 27.611 0.3 1 1577 143 143 PRO CD C 50.282 0.3 1 1578 144 144 GLY H H 8.848 0.020 1 1579 144 144 GLY HA2 H 4.034 0.020 2 1580 144 144 GLY HA3 H 3.717 0.020 2 1581 144 144 GLY C C 174.826 0.3 1 1582 144 144 GLY CA C 45.533 0.3 1 1583 144 144 GLY N N 113.453 0.3 1 1584 145 145 GLY H H 8.838 0.020 1 1585 145 145 GLY HA2 H 3.086 0.020 2 1586 145 145 GLY HA3 H 3.990 0.020 2 1587 145 145 GLY C C 172.606 0.3 1 1588 145 145 GLY CA C 46.134 0.3 1 1589 145 145 GLY N N 107.906 0.3 1 1590 146 146 VAL H H 6.562 0.020 1 1591 146 146 VAL HA H 4.647 0.020 1 1592 146 146 VAL HB H 1.700 0.020 1 1593 146 146 VAL HG1 H 0.860 0.020 1 1594 146 146 VAL HG2 H 0.678 0.020 1 1595 146 146 VAL C C 174.086 0.3 1 1596 146 146 VAL CA C 58.675 0.3 1 1597 146 146 VAL CB C 34.826 0.3 1 1598 146 146 VAL CG1 C 21.057 0.3 1 1599 146 146 VAL CG2 C 18.814 0.3 1 1600 146 146 VAL N N 112.550 0.3 1 1601 147 147 CYS H H 9.212 0.020 1 1602 147 147 CYS HA H 4.170 0.020 1 1603 147 147 CYS HB2 H 3.293 0.020 2 1604 147 147 CYS HB3 H 3.131 0.020 2 1605 147 147 CYS C C 176.676 0.3 1 1606 147 147 CYS CA C 57.062 0.3 1 1607 147 147 CYS CB C 33.363 0.3 1 1608 147 147 CYS N N 128.043 0.3 1 1609 148 148 PRO HA H 4.389 0.020 1 1610 148 148 PRO HB2 H 2.511 0.020 2 1611 148 148 PRO HB3 H 2.098 0.020 2 1612 148 148 PRO HG2 H 2.215 0.020 2 1613 148 148 PRO HG3 H 2.195 0.020 2 1614 148 148 PRO HD2 H 4.279 0.020 2 1615 148 148 PRO HD3 H 3.917 0.020 2 1616 148 148 PRO C C 176.186 0.3 1 1617 148 148 PRO CA C 64.009 0.3 1 1618 148 148 PRO CB C 32.620 0.3 1 1619 148 148 PRO CG C 26.733 0.3 1 1620 148 148 PRO CD C 51.941 0.3 1 1621 149 149 ASP H H 9.131 0.020 1 1622 149 149 ASP HA H 4.773 0.020 1 1623 149 149 ASP HB2 H 2.676 0.020 2 1624 149 149 ASP HB3 H 2.765 0.020 2 1625 149 149 ASP C C 177.307 0.3 1 1626 149 149 ASP CA C 56.523 0.3 1 1627 149 149 ASP CB C 41.739 0.3 1 1628 149 149 ASP N N 120.310 0.3 1 1629 150 150 CYS H H 8.532 0.020 1 1630 150 150 CYS HA H 5.067 0.020 1 1631 150 150 CYS HB2 H 3.257 0.020 2 1632 150 150 CYS HB3 H 2.618 0.020 2 1633 150 150 CYS C C 176.983 0.3 1 1634 150 150 CYS CA C 58.417 0.3 1 1635 150 150 CYS CB C 32.547 0.3 1 1636 150 150 CYS N N 118.498 0.3 1 1637 151 151 GLY H H 8.065 0.020 1 1638 151 151 GLY HA2 H 3.799 0.020 2 1639 151 151 GLY HA3 H 4.189 0.020 2 1640 151 151 GLY C C 173.990 0.3 1 1641 151 151 GLY CA C 46.204 0.3 1 1642 151 151 GLY N N 112.768 0.3 1 1643 152 152 SER H H 8.426 0.020 1 1644 152 152 SER HA H 4.533 0.020 1 1645 152 152 SER HB2 H 4.279 0.020 1 1646 152 152 SER HB3 H 3.860 0.020 1 1647 152 152 SER C C 171.555 0.3 1 1648 152 152 SER CA C 59.217 0.3 1 1649 152 152 SER CB C 63.299 0.3 1 1650 152 152 SER N N 118.493 0.3 1 1651 153 153 LYS H H 8.218 0.020 1 1652 153 153 LYS HA H 4.383 0.020 1 1653 153 153 LYS HB2 H 1.855 0.020 2 1654 153 153 LYS HB3 H 1.817 0.020 2 1655 153 153 LYS HG2 H 1.616 0.020 2 1656 153 153 LYS HG3 H 1.522 0.020 2 1657 153 153 LYS HD2 H 1.741 0.020 2 1658 153 153 LYS HD3 H 1.505 0.020 2 1659 153 153 LYS HE2 H 3.048 0.020 1 1660 153 153 LYS HE3 H 3.048 0.020 1 1661 153 153 LYS C C 174.634 0.3 1 1662 153 153 LYS CA C 57.202 0.3 1 1663 153 153 LYS CB C 33.340 0.3 1 1664 153 153 LYS CG C 25.398 0.3 1 1665 153 153 LYS CD C 28.780 0.3 1 1666 153 153 LYS CE C 42.110 0.3 1 1667 153 153 LYS N N 120.008 0.3 1 1668 154 154 VAL H H 7.347 0.020 1 1669 154 154 VAL HA H 4.911 0.020 1 1670 154 154 VAL HB H 1.494 0.020 1 1671 154 154 VAL HG1 H 0.545 0.020 1 1672 154 154 VAL HG2 H 0.437 0.020 1 1673 154 154 VAL C C 174.895 0.3 1 1674 154 154 VAL CA C 59.905 0.3 1 1675 154 154 VAL CB C 32.838 0.3 1 1676 154 154 VAL CG1 C 22.853 0.3 1 1677 154 154 VAL CG2 C 20.434 0.3 1 1678 154 154 VAL N N 116.314 0.3 1 1679 155 155 LYS H H 9.040 0.020 1 1680 155 155 LYS HA H 4.972 0.020 1 1681 155 155 LYS HB2 H 1.824 0.020 1 1682 155 155 LYS HB3 H 1.824 0.020 1 1683 155 155 LYS HG2 H 1.440 0.020 2 1684 155 155 LYS HG3 H 1.344 0.020 2 1685 155 155 LYS HD2 H 1.677 0.020 1 1686 155 155 LYS HD3 H 1.677 0.020 1 1687 155 155 LYS HE2 H 2.994 0.020 1 1688 155 155 LYS HE3 H 2.994 0.020 1 1689 155 155 LYS C C 175.344 0.3 1 1690 155 155 LYS CA C 53.849 0.3 1 1691 155 155 LYS CB C 36.887 0.3 1 1692 155 155 LYS CG C 24.042 0.3 1 1693 155 155 LYS CD C 29.408 0.3 1 1694 155 155 LYS CE C 42.265 0.3 1 1695 155 155 LYS N N 122.916 0.3 1 1696 156 156 LEU H H 8.533 0.020 1 1697 156 156 LEU HA H 4.225 0.020 1 1698 156 156 LEU HB2 H 1.543 0.020 2 1699 156 156 LEU HB3 H 1.488 0.020 2 1700 156 156 LEU HG H 0.766 0.020 1 1701 156 156 LEU C C 177.485 0.3 1 1702 156 156 LEU CA C 55.602 0.3 1 1703 156 156 LEU CB C 43.045 0.3 1 1704 156 156 LEU CG C 24.740 0.3 1 1705 156 156 LEU CD1 C 27.434 0.3 1 1706 156 156 LEU N N 123.382 0.3 1 1707 157 157 ILE H H 8.072 0.020 1 1708 157 157 ILE HA H 4.095 0.020 1 1709 157 157 ILE HB H 1.478 0.020 1 1710 157 157 ILE HG12 H 1.337 0.020 2 1711 157 157 ILE HG13 H 0.912 0.020 2 1712 157 157 ILE HG2 H 0.902 0.020 1 1713 157 157 ILE HD1 H 0.721 0.020 1 1714 157 157 ILE C C 174.456 0.3 1 1715 157 157 ILE CA C 60.026 0.3 1 1716 157 157 ILE CB C 39.263 0.3 1 1717 157 157 ILE CG1 C 29.028 0.3 1 1718 157 157 ILE CG2 C 16.640 0.3 1 1719 157 157 ILE CD1 C 13.947 0.3 1 1720 157 157 ILE N N 126.495 0.3 1 1721 158 158 PRO HA H 4.375 0.020 1 1722 158 158 PRO HB2 H 2.237 0.020 2 1723 158 158 PRO HB3 H 2.067 0.020 2 1724 158 158 PRO HG2 H 2.072 0.020 2 1725 158 158 PRO HG3 H 1.993 0.020 2 1726 158 158 PRO HD2 H 3.956 0.020 2 1727 158 158 PRO HD3 H 3.668 0.020 2 1728 158 158 PRO C C 176.403 0.3 1 1729 158 158 PRO CA C 62.954 0.3 1 1730 158 158 PRO CB C 32.052 0.3 1 1731 158 158 PRO CG C 27.308 0.3 1 1732 158 158 PRO CD C 51.105 0.3 1 1733 159 159 ARG H H 8.283 0.020 1 1734 159 159 ARG HA H 4.319 0.020 1 1735 159 159 ARG HB2 H 1.799 0.020 1 1736 159 159 ARG HB3 H 1.799 0.020 1 1737 159 159 ARG C C 176.005 0.3 1 1738 159 159 ARG CA C 55.871 0.3 1 1739 159 159 ARG CB C 31.192 0.3 1 1740 159 159 ARG CG C 26.999 0.3 1 1741 159 159 ARG CD C 43.408 0.3 1 1742 159 159 ARG N N 121.967 0.3 1 1743 160 160 LYS H H 8.315 0.020 1 1744 160 160 LYS HA H 4.342 0.020 1 1745 160 160 LYS HB2 H 1.823 0.020 2 1746 160 160 LYS HB3 H 1.789 0.020 2 1747 160 160 LYS HG2 H 1.466 0.020 2 1748 160 160 LYS HG3 H 1.433 0.020 2 1749 160 160 LYS HD2 H 1.711 0.020 1 1750 160 160 LYS HD3 H 1.711 0.020 1 1751 160 160 LYS HE2 H 2.986 0.020 1 1752 160 160 LYS HE3 H 2.986 0.020 1 1753 160 160 LYS C C 175.350 0.3 1 1754 160 160 LYS CA C 56.182 0.3 1 1755 160 160 LYS CB C 33.099 0.3 1 1756 160 160 LYS CG C 24.772 0.3 1 1757 160 160 LYS CD C 29.056 0.3 1 1758 160 160 LYS CE C 41.846 0.3 1 1759 160 160 LYS N N 123.417 0.3 1 1760 161 161 ARG H H 7.953 0.020 1 1761 161 161 ARG HA H 4.155 0.020 1 1762 161 161 ARG C C 180.700 0.3 1 1763 161 161 ARG CA C 57.479 0.3 1 1764 161 161 ARG CB C 31.456 0.3 1 1765 161 161 ARG N N 127.830 0.3 1 stop_ save_