data_25439 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure and 1H, 13C, and 15N chemical shift assignments for Bud31p ; _BMRB_accession_number 25439 _BMRB_flat_file_name bmr25439.str _Entry_type original _Submission_date 2015-01-19 _Accession_date 2015-01-19 _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 'van Roon' Anne-Marie M. . 2 Yang Ji-Chun . . 3 Mathieu Daniel . . 4 Bermel Wolfgang . . 5 Nagai Kiyoshi . . 6 Neuhaus David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 878 "13C chemical shifts" 509 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-07 update author 'update entry title' 2016-02-18 update BMRB 'update entry citation' 2015-03-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25440 'Bud31p protein (Cd3)' stop_ _Original_release_date 2016-02-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 113 Cd NMR Experiments Reveal an Unusual Metal Cluster in the Solution Structure of the Yeast Splicing Protein Bud31p ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25703931 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'van Roon' Anne-Marie M. . 2 Yang Ji-Chun . . 3 Mathieu Daniel . . 4 Bermel Wolfgang . . 5 Nagai Kiyoshi . . 6 Neuhaus David . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_volume 54 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4861 _Page_last 4864 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bud31p protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Bud31p polypeptide' $Bud31p_polypeptide ZN1 $entity_ZN ZN2 $entity_ZN ZN3 $entity_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_Bud31p_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bud31p_polypeptide _Molecular_mass 18554.609 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GGSPRIKTRRSKPAPDGFEK IKPTLTDFEIQLRDAQKDKS SKLAAKSNEQLWEIMQLHHQ RSRYIYTLYYKRKAISKDLY DWLIKEKYADKLLIAKWRKT GYEKLCCLRCIQKNETNNGS TCICRVPRAQLEEEARKKGT QVSFHQCVHCGCRGCASTD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 GLY 3 1 SER 4 2 PRO 5 3 ARG 6 4 ILE 7 5 LYS 8 6 THR 9 7 ARG 10 8 ARG 11 9 SER 12 10 LYS 13 11 PRO 14 12 ALA 15 13 PRO 16 14 ASP 17 15 GLY 18 16 PHE 19 17 GLU 20 18 LYS 21 19 ILE 22 20 LYS 23 21 PRO 24 22 THR 25 23 LEU 26 24 THR 27 25 ASP 28 26 PHE 29 27 GLU 30 28 ILE 31 29 GLN 32 30 LEU 33 31 ARG 34 32 ASP 35 33 ALA 36 34 GLN 37 35 LYS 38 36 ASP 39 37 LYS 40 38 SER 41 39 SER 42 40 LYS 43 41 LEU 44 42 ALA 45 43 ALA 46 44 LYS 47 45 SER 48 46 ASN 49 47 GLU 50 48 GLN 51 49 LEU 52 50 TRP 53 51 GLU 54 52 ILE 55 53 MET 56 54 GLN 57 55 LEU 58 56 HIS 59 57 HIS 60 58 GLN 61 59 ARG 62 60 SER 63 61 ARG 64 62 TYR 65 63 ILE 66 64 TYR 67 65 THR 68 66 LEU 69 67 TYR 70 68 TYR 71 69 LYS 72 70 ARG 73 71 LYS 74 72 ALA 75 73 ILE 76 74 SER 77 75 LYS 78 76 ASP 79 77 LEU 80 78 TYR 81 79 ASP 82 80 TRP 83 81 LEU 84 82 ILE 85 83 LYS 86 84 GLU 87 85 LYS 88 86 TYR 89 87 ALA 90 88 ASP 91 89 LYS 92 90 LEU 93 91 LEU 94 92 ILE 95 93 ALA 96 94 LYS 97 95 TRP 98 96 ARG 99 97 LYS 100 98 THR 101 99 GLY 102 100 TYR 103 101 GLU 104 102 LYS 105 103 LEU 106 104 CYS 107 105 CYS 108 106 LEU 109 107 ARG 110 108 CYS 111 109 ILE 112 110 GLN 113 111 LYS 114 112 ASN 115 113 GLU 116 114 THR 117 115 ASN 118 116 ASN 119 117 GLY 120 118 SER 121 119 THR 122 120 CYS 123 121 ILE 124 122 CYS 125 123 ARG 126 124 VAL 127 125 PRO 128 126 ARG 129 127 ALA 130 128 GLN 131 129 LEU 132 130 GLU 133 131 GLU 134 132 GLU 135 133 ALA 136 134 ARG 137 135 LYS 138 136 LYS 139 137 GLY 140 138 THR 141 139 GLN 142 140 VAL 143 141 SER 144 142 PHE 145 143 HIS 146 144 GLN 147 145 CYS 148 146 VAL 149 147 HIS 150 148 CYS 151 149 GLY 152 150 CYS 153 151 ARG 154 152 GLY 155 153 CYS 156 154 ALA 157 155 SER 158 156 THR 159 157 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . 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 _Gene_mnemonic $Bud31p_polypeptide "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae BUD31 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $Bud31p_polypeptide 'recombinant technology' . Escherichia coli BL21(DE3) 'RIL CodonPlus' pRK172 ; Protein was expressed as an N-Terminal Glutathione S Transferase Fusion Protein ; 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Bud31p_polypeptide . mM 0.3 0.5 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' DTT 1 mM . . [U-2H] D2O 5 % . . 'natural abundance' H2O 95 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Bud31p_polypeptide . mM 0.3 0.5 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' DTT 1 mM . . [U-2H] D2O 100 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Bud31p_polypeptide . mM 0.3 0.5 '[U-98% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' DTT 1 mM . . [U-2H] D2O 5 % . . 'natural abundance' H2O 95 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.28 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance AVI' _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_(constant-time)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic (constant-time)' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_(constant-time)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic (constant-time)' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HC(C)H-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-COSY' _Sample_label $sample_1 save_ save_3D_HC(C)H-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HACAHB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACAHB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_(50ms_mixing)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY (50ms mixing)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_(50ms_mixing)_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic (50ms mixing)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_(50ms_mixing)_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic (50ms mixing)' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_(150ms_mixing)_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY (150ms mixing)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_(150ms_mixing)_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic (150ms mixing)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_(150ms_mixing)_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic (150ms mixing)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.27 . M pH 6.5 . pH pressure 1 . atm temperature 300 . 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 _Reference_correction_type TSP C 13 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 none TSP H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.0 none TSP N 15 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 none 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' '2D 1H-13C HSQC aliphatic (constant-time)' '2D 1H-13C HSQC aromatic (constant-time)' '2D 1H-1H NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHANH' '3D HBHA(CO)NH' '3D HC(C)H-COSY' '3D HC(C)H-TOCSY' '3D (H)CCH-TOCSY' '3D HNHB' '3D HACAHB' '3D 1H-15N NOESY (50ms mixing)' '3D 1H-13C NOESY aromatic (50ms mixing)' '3D 1H-15N NOESY (150ms mixing)' '3D 1H-13C NOESY aliphatic (150ms mixing)' '3D 1H-13C NOESY aromatic (150ms mixing)' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Bud31p polypeptide' _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 -1 1 GLY HA2 H 4.065 0.020 1 2 -1 1 GLY HA3 H 4.065 0.020 1 3 -1 1 GLY CA C 44.963 0.100 1 4 0 2 GLY HA2 H 3.870 0.020 1 5 0 2 GLY HA3 H 3.870 0.020 1 6 0 2 GLY CA C 43.750 0.100 1 7 1 3 SER H H 8.381 0.020 1 8 1 3 SER HA H 4.809 0.020 1 9 1 3 SER HB2 H 3.845 0.020 2 10 1 3 SER HB3 H 3.893 0.020 2 11 1 3 SER CA C 56.525 0.100 1 12 1 3 SER CB C 63.385 0.100 1 13 1 3 SER N N 117.201 0.100 1 14 2 4 PRO HA H 4.468 0.020 1 15 2 4 PRO HB2 H 1.912 0.020 2 16 2 4 PRO HB3 H 2.310 0.020 2 17 2 4 PRO HG2 H 2.031 0.020 1 18 2 4 PRO HG3 H 2.031 0.020 1 19 2 4 PRO HD2 H 3.735 0.020 2 20 2 4 PRO HD3 H 3.854 0.020 2 21 2 4 PRO CA C 63.292 0.100 1 22 2 4 PRO CB C 32.174 0.100 1 23 2 4 PRO CG C 27.401 0.100 1 24 2 4 PRO CD C 50.847 0.100 1 25 3 5 ARG H H 8.428 0.020 1 26 3 5 ARG HA H 4.324 0.020 1 27 3 5 ARG HB2 H 1.773 0.020 2 28 3 5 ARG HB3 H 1.835 0.020 2 29 3 5 ARG CA C 56.226 0.100 1 30 3 5 ARG CB C 30.732 0.100 1 31 3 5 ARG N N 121.649 0.100 1 32 4 6 ILE H H 8.165 0.020 1 33 4 6 ILE HA H 4.181 0.020 1 34 4 6 ILE HB H 1.869 0.020 1 35 4 6 ILE HG12 H 1.214 0.020 2 36 4 6 ILE HG13 H 1.483 0.020 2 37 4 6 ILE HG2 H 0.916 0.020 1 38 4 6 ILE HD1 H 0.870 0.020 1 39 4 6 ILE CA C 60.943 0.100 1 40 4 6 ILE CB C 38.751 0.100 1 41 4 6 ILE CG1 C 27.303 0.100 1 42 4 6 ILE CG2 C 17.573 0.100 1 43 4 6 ILE CD1 C 12.784 0.100 1 44 4 6 ILE N N 122.500 0.100 1 45 5 7 LYS H H 8.500 0.020 1 46 5 7 LYS HA H 4.402 0.020 1 47 5 7 LYS HB2 H 1.772 0.020 2 48 5 7 LYS HB3 H 1.863 0.020 2 49 5 7 LYS CA C 56.422 0.100 1 50 5 7 LYS CB C 33.130 0.100 1 51 5 7 LYS N N 126.237 0.100 1 52 6 8 THR H H 8.194 0.020 1 53 6 8 THR HA H 4.323 0.020 1 54 6 8 THR HB H 4.194 0.020 1 55 6 8 THR HG2 H 1.220 0.020 1 56 6 8 THR CA C 61.918 0.100 1 57 6 8 THR CB C 69.963 0.100 1 58 6 8 THR CG2 C 21.732 0.100 1 59 6 8 THR N N 116.495 0.100 1 60 7 9 ARG H H 8.458 0.020 1 61 7 9 ARG HA H 4.396 0.020 1 62 7 9 ARG HB2 H 1.801 0.020 2 63 7 9 ARG HB3 H 1.892 0.020 2 64 7 9 ARG CA C 56.128 0.100 1 65 7 9 ARG CB C 30.953 0.100 1 66 7 9 ARG N N 124.128 0.100 1 67 8 10 ARG H H 8.526 0.020 1 68 8 10 ARG HA H 4.424 0.020 1 69 8 10 ARG HB2 H 1.796 0.020 2 70 8 10 ARG HB3 H 1.903 0.020 2 71 8 10 ARG CA C 56.011 0.100 1 72 8 10 ARG CB C 31.058 0.100 1 73 8 10 ARG N N 123.384 0.100 1 74 9 11 SER H H 8.450 0.020 1 75 9 11 SER HA H 4.473 0.020 1 76 9 11 SER HB2 H 3.868 0.020 2 77 9 11 SER HB3 H 3.906 0.020 2 78 9 11 SER CA C 58.568 0.100 1 79 9 11 SER CB C 63.986 0.100 1 80 9 11 SER N N 118.446 0.100 1 81 10 12 LYS H H 8.426 0.020 1 82 10 12 LYS HA H 4.673 0.020 1 83 10 12 LYS HB2 H 1.811 0.020 2 84 10 12 LYS HB3 H 1.893 0.020 2 85 10 12 LYS CA C 54.412 0.100 1 86 10 12 LYS CB C 32.693 0.100 1 87 10 12 LYS N N 124.117 0.100 1 88 11 13 PRO HA H 4.360 0.020 1 89 11 13 PRO HB2 H 1.825 0.020 2 90 11 13 PRO HB3 H 2.235 0.020 2 91 11 13 PRO HG2 H 1.993 0.020 1 92 11 13 PRO HG3 H 1.993 0.020 1 93 11 13 PRO HD2 H 3.639 0.020 2 94 11 13 PRO HD3 H 3.819 0.020 2 95 11 13 PRO CA C 62.861 0.100 1 96 11 13 PRO CB C 32.106 0.100 1 97 11 13 PRO CG C 27.388 0.100 1 98 11 13 PRO CD C 50.683 0.100 1 99 12 14 ALA H H 7.890 0.020 1 100 12 14 ALA HA H 2.889 0.020 1 101 12 14 ALA HB H 0.014 0.020 1 102 12 14 ALA CA C 49.735 0.100 1 103 12 14 ALA CB C 18.066 0.100 1 104 12 14 ALA N N 124.420 0.100 1 105 13 15 PRO HA H 4.207 0.020 1 106 13 15 PRO HB2 H 1.436 0.020 2 107 13 15 PRO HB3 H 2.242 0.020 2 108 13 15 PRO HD2 H 2.081 0.020 2 109 13 15 PRO HD3 H 2.486 0.020 2 110 13 15 PRO CA C 62.111 0.100 1 111 13 15 PRO CB C 32.582 0.100 1 112 13 15 PRO CD C 49.878 0.100 1 113 14 16 ASP H H 8.206 0.020 1 114 14 16 ASP HA H 4.379 0.020 1 115 14 16 ASP HB2 H 2.604 0.020 2 116 14 16 ASP HB3 H 2.637 0.020 2 117 14 16 ASP CA C 56.427 0.100 1 118 14 16 ASP CB C 41.177 0.100 1 119 14 16 ASP N N 119.535 0.100 1 120 15 17 GLY H H 8.723 0.020 1 121 15 17 GLY HA2 H 3.728 0.020 2 122 15 17 GLY HA3 H 4.562 0.020 2 123 15 17 GLY CA C 45.146 0.100 1 124 15 17 GLY N N 113.273 0.100 1 125 16 18 PHE H H 8.127 0.020 1 126 16 18 PHE HA H 4.125 0.020 1 127 16 18 PHE HB2 H 2.996 0.020 1 128 16 18 PHE HB3 H 2.814 0.020 1 129 16 18 PHE HD1 H 7.015 0.020 1 130 16 18 PHE HD2 H 7.015 0.020 1 131 16 18 PHE HE1 H 7.172 0.020 1 132 16 18 PHE HE2 H 7.172 0.020 1 133 16 18 PHE HZ H 7.402 0.020 1 134 16 18 PHE CA C 60.715 0.100 1 135 16 18 PHE CB C 39.639 0.100 1 136 16 18 PHE CD1 C 131.356 0.100 1 137 16 18 PHE CD2 C 131.356 0.100 1 138 16 18 PHE CE1 C 131.407 0.100 1 139 16 18 PHE CE2 C 131.407 0.100 1 140 16 18 PHE CZ C 129.321 0.100 1 141 16 18 PHE N N 123.113 0.100 1 142 17 19 GLU H H 9.088 0.020 1 143 17 19 GLU HA H 3.768 0.020 1 144 17 19 GLU HB2 H 2.125 0.020 1 145 17 19 GLU HB3 H 2.023 0.020 1 146 17 19 GLU HG2 H 2.331 0.020 1 147 17 19 GLU HG3 H 2.471 0.020 1 148 17 19 GLU CA C 59.234 0.100 1 149 17 19 GLU CB C 28.495 0.100 1 150 17 19 GLU CG C 36.177 0.100 1 151 17 19 GLU N N 115.695 0.100 1 152 18 20 LYS H H 7.285 0.020 1 153 18 20 LYS HA H 4.165 0.020 1 154 18 20 LYS HB2 H 1.917 0.020 1 155 18 20 LYS HB3 H 1.956 0.020 1 156 18 20 LYS HG2 H 1.509 0.020 2 157 18 20 LYS HG3 H 1.555 0.020 2 158 18 20 LYS CA C 58.249 0.100 1 159 18 20 LYS CB C 32.725 0.100 1 160 18 20 LYS CG C 25.340 0.100 1 161 18 20 LYS N N 115.887 0.100 1 162 19 21 ILE H H 7.031 0.020 1 163 19 21 ILE HA H 4.722 0.020 1 164 19 21 ILE HB H 2.434 0.020 1 165 19 21 ILE HG12 H 1.305 0.020 2 166 19 21 ILE HG13 H 1.377 0.020 2 167 19 21 ILE HG2 H 0.901 0.020 1 168 19 21 ILE HD1 H 0.969 0.020 1 169 19 21 ILE CA C 61.093 0.100 1 170 19 21 ILE CB C 39.139 0.100 1 171 19 21 ILE CG1 C 26.345 0.100 1 172 19 21 ILE CG2 C 18.073 0.100 1 173 19 21 ILE CD1 C 16.228 0.100 1 174 19 21 ILE N N 110.277 0.100 1 175 20 22 LYS H H 7.666 0.020 1 176 20 22 LYS HA H 3.603 0.020 1 177 20 22 LYS HB2 H 1.028 0.020 1 178 20 22 LYS HB3 H 1.548 0.020 1 179 20 22 LYS HE2 H 2.996 0.020 1 180 20 22 LYS HE3 H 2.996 0.020 1 181 20 22 LYS CA C 60.917 0.100 1 182 20 22 LYS CB C 30.210 0.100 1 183 20 22 LYS CE C 42.098 0.100 1 184 20 22 LYS N N 124.540 0.100 1 185 21 23 PRO HA H 4.292 0.020 1 186 21 23 PRO HB2 H 1.929 0.020 2 187 21 23 PRO HB3 H 2.370 0.020 2 188 21 23 PRO HD2 H 3.391 0.020 2 189 21 23 PRO HD3 H 3.687 0.020 2 190 21 23 PRO CA C 66.990 0.100 1 191 21 23 PRO CB C 30.779 0.100 1 192 21 23 PRO CD C 50.462 0.100 1 193 22 24 THR H H 7.331 0.020 1 194 22 24 THR HA H 3.866 0.020 1 195 22 24 THR HB H 4.167 0.020 1 196 22 24 THR HG2 H 0.541 0.020 1 197 22 24 THR CA C 66.575 0.100 1 198 22 24 THR CB C 68.731 0.100 1 199 22 24 THR CG2 C 21.815 0.100 1 200 22 24 THR N N 114.917 0.100 1 201 23 25 LEU H H 7.991 0.020 1 202 23 25 LEU HA H 4.397 0.020 1 203 23 25 LEU HB2 H 2.081 0.020 1 204 23 25 LEU HB3 H 1.838 0.020 1 205 23 25 LEU HG H 1.990 0.020 1 206 23 25 LEU HD1 H 1.116 0.020 2 207 23 25 LEU HD2 H 0.757 0.020 2 208 23 25 LEU CA C 58.740 0.100 1 209 23 25 LEU CB C 40.489 0.100 1 210 23 25 LEU CG C 26.886 0.100 1 211 23 25 LEU CD1 C 22.642 0.100 2 212 23 25 LEU CD2 C 26.143 0.100 2 213 23 25 LEU N N 120.152 0.100 1 214 24 26 THR H H 9.175 0.020 1 215 24 26 THR HA H 4.095 0.020 1 216 24 26 THR HB H 4.364 0.020 1 217 24 26 THR HG2 H 1.346 0.020 1 218 24 26 THR CA C 66.834 0.100 1 219 24 26 THR CB C 68.614 0.100 1 220 24 26 THR CG2 C 21.717 0.100 1 221 24 26 THR N N 119.365 0.100 1 222 25 27 ASP H H 7.714 0.020 1 223 25 27 ASP HA H 4.483 0.020 1 224 25 27 ASP HB2 H 2.541 0.020 2 225 25 27 ASP HB3 H 2.693 0.020 2 226 25 27 ASP CA C 58.158 0.100 1 227 25 27 ASP CB C 40.329 0.100 1 228 25 27 ASP N N 122.865 0.100 1 229 26 28 PHE H H 7.816 0.020 1 230 26 28 PHE HA H 4.457 0.020 1 231 26 28 PHE HB2 H 3.308 0.020 1 232 26 28 PHE HB3 H 3.176 0.020 1 233 26 28 PHE HD1 H 7.310 0.020 1 234 26 28 PHE HD2 H 7.310 0.020 1 235 26 28 PHE HE1 H 7.206 0.020 1 236 26 28 PHE HE2 H 7.206 0.020 1 237 26 28 PHE HZ H 7.239 0.020 1 238 26 28 PHE CA C 62.531 0.100 1 239 26 28 PHE CB C 39.468 0.100 1 240 26 28 PHE CD1 C 131.153 0.100 1 241 26 28 PHE CD2 C 131.153 0.100 1 242 26 28 PHE CE1 C 130.491 0.100 1 243 26 28 PHE CE2 C 130.491 0.100 1 244 26 28 PHE CZ C 131.509 0.100 1 245 26 28 PHE N N 116.182 0.100 1 246 27 29 GLU H H 8.068 0.020 1 247 27 29 GLU HA H 4.113 0.020 1 248 27 29 GLU HB2 H 2.453 0.020 1 249 27 29 GLU HB3 H 2.453 0.020 1 250 27 29 GLU HG2 H 2.540 0.020 1 251 27 29 GLU HG3 H 2.540 0.020 1 252 27 29 GLU CA C 59.852 0.100 1 253 27 29 GLU CB C 29.692 0.100 1 254 27 29 GLU CG C 36.288 0.100 1 255 27 29 GLU N N 120.107 0.100 1 256 28 30 ILE H H 8.531 0.020 1 257 28 30 ILE HA H 3.718 0.020 1 258 28 30 ILE HB H 2.103 0.020 1 259 28 30 ILE HG12 H 1.259 0.020 2 260 28 30 ILE HG13 H 1.809 0.020 2 261 28 30 ILE HG2 H 0.971 0.020 1 262 28 30 ILE HD1 H 0.912 0.020 1 263 28 30 ILE CA C 65.002 0.100 1 264 28 30 ILE CB C 38.023 0.100 1 265 28 30 ILE CG1 C 29.095 0.100 1 266 28 30 ILE CG2 C 17.284 0.100 1 267 28 30 ILE CD1 C 13.060 0.100 1 268 28 30 ILE N N 121.494 0.100 1 269 29 31 GLN H H 8.117 0.020 1 270 29 31 GLN HA H 4.180 0.020 1 271 29 31 GLN HB2 H 2.282 0.020 1 272 29 31 GLN HB3 H 2.282 0.020 1 273 29 31 GLN HG2 H 2.382 0.020 2 274 29 31 GLN HG3 H 2.664 0.020 2 275 29 31 GLN HE21 H 6.581 0.020 2 276 29 31 GLN HE22 H 7.171 0.020 2 277 29 31 GLN CA C 59.507 0.100 1 278 29 31 GLN CB C 29.783 0.100 1 279 29 31 GLN CG C 35.091 0.100 1 280 29 31 GLN N N 118.941 0.100 1 281 29 31 GLN NE2 N 110.959 0.100 1 282 30 32 LEU H H 8.677 0.020 1 283 30 32 LEU HA H 4.032 0.020 1 284 30 32 LEU HB2 H 1.599 0.020 2 285 30 32 LEU HB3 H 2.031 0.020 2 286 30 32 LEU HG H 1.711 0.020 1 287 30 32 LEU HD1 H 0.838 0.020 2 288 30 32 LEU HD2 H 0.951 0.020 1 289 30 32 LEU CA C 58.333 0.100 1 290 30 32 LEU CB C 42.339 0.100 1 291 30 32 LEU CG C 27.995 0.100 1 292 30 32 LEU CD1 C 24.807 0.100 2 293 30 32 LEU CD2 C 25.791 0.100 2 294 30 32 LEU N N 121.724 0.100 1 295 31 33 ARG H H 8.227 0.020 1 296 31 33 ARG HA H 4.105 0.020 1 297 31 33 ARG HB2 H 2.096 0.020 1 298 31 33 ARG HB3 H 2.096 0.020 1 299 31 33 ARG HD2 H 3.275 0.020 1 300 31 33 ARG HD3 H 3.275 0.020 1 301 31 33 ARG CA C 59.340 0.100 1 302 31 33 ARG CB C 30.044 0.100 1 303 31 33 ARG CD C 43.748 0.100 1 304 31 33 ARG N N 120.629 0.100 1 305 32 34 ASP H H 8.407 0.020 1 306 32 34 ASP HA H 4.484 0.020 1 307 32 34 ASP HB2 H 2.769 0.020 1 308 32 34 ASP HB3 H 2.721 0.020 1 309 32 34 ASP CA C 57.199 0.100 1 310 32 34 ASP CB C 40.202 0.100 1 311 32 34 ASP N N 120.233 0.100 1 312 33 35 ALA H H 8.057 0.020 1 313 33 35 ALA HA H 4.321 0.020 1 314 33 35 ALA HB H 1.522 0.020 1 315 33 35 ALA CA C 54.207 0.100 1 316 33 35 ALA CB C 18.738 0.100 1 317 33 35 ALA N N 121.939 0.100 1 318 34 36 GLN H H 7.746 0.020 1 319 34 36 GLN HA H 4.248 0.020 1 320 34 36 GLN HB2 H 2.139 0.020 1 321 34 36 GLN HB3 H 2.267 0.020 1 322 34 36 GLN HG2 H 2.409 0.020 2 323 34 36 GLN HG3 H 2.607 0.020 2 324 34 36 GLN HE21 H 6.941 0.020 2 325 34 36 GLN HE22 H 7.292 0.020 2 326 34 36 GLN CA C 56.567 0.100 1 327 34 36 GLN CB C 29.743 0.100 1 328 34 36 GLN CG C 34.725 0.100 1 329 34 36 GLN N N 114.736 0.100 1 330 34 36 GLN NE2 N 111.018 0.100 1 331 35 37 LYS H H 7.570 0.020 1 332 35 37 LYS HA H 4.232 0.020 1 333 35 37 LYS HB2 H 1.948 0.020 1 334 35 37 LYS HB3 H 1.876 0.020 1 335 35 37 LYS CA C 57.427 0.100 1 336 35 37 LYS CB C 32.887 0.100 1 337 35 37 LYS N N 120.534 0.100 1 338 36 38 ASP H H 8.375 0.020 1 339 36 38 ASP HA H 4.595 0.020 1 340 36 38 ASP HB2 H 2.682 0.020 2 341 36 38 ASP HB3 H 2.778 0.020 2 342 36 38 ASP CA C 54.983 0.100 1 343 36 38 ASP CB C 41.129 0.100 1 344 36 38 ASP N N 120.943 0.100 1 345 37 39 LYS H H 8.446 0.020 1 346 37 39 LYS HA H 4.365 0.020 1 347 37 39 LYS HB2 H 1.829 0.020 2 348 37 39 LYS HB3 H 1.946 0.020 2 349 37 39 LYS CA C 56.725 0.100 1 350 37 39 LYS CB C 32.823 0.100 1 351 37 39 LYS N N 122.598 0.100 1 352 38 40 SER H H 8.392 0.020 1 353 38 40 SER HA H 4.423 0.020 1 354 38 40 SER HB2 H 3.933 0.020 1 355 38 40 SER HB3 H 3.933 0.020 1 356 38 40 SER CA C 59.193 0.100 1 357 38 40 SER CB C 63.744 0.100 1 358 38 40 SER N N 115.849 0.100 1 359 39 41 SER H H 8.283 0.020 1 360 39 41 SER HA H 4.445 0.020 1 361 39 41 SER HB2 H 3.907 0.020 2 362 39 41 SER HB3 H 3.989 0.020 2 363 39 41 SER CA C 58.933 0.100 1 364 39 41 SER CB C 63.711 0.100 1 365 39 41 SER N N 117.258 0.100 1 366 40 42 LYS H H 8.263 0.020 1 367 40 42 LYS HA H 4.321 0.020 1 368 40 42 LYS HB2 H 1.789 0.020 2 369 40 42 LYS HB3 H 1.893 0.020 2 370 40 42 LYS CA C 56.847 0.100 1 371 40 42 LYS CB C 32.764 0.100 1 372 40 42 LYS N N 122.427 0.100 1 373 41 43 LEU H H 8.068 0.020 1 374 41 43 LEU HA H 4.308 0.020 1 375 41 43 LEU HB2 H 1.613 0.020 2 376 41 43 LEU HB3 H 1.670 0.020 2 377 41 43 LEU HG H 1.626 0.020 1 378 41 43 LEU HD1 H 0.896 0.020 2 379 41 43 LEU HD2 H 0.951 0.020 2 380 41 43 LEU CA C 55.335 0.100 1 381 41 43 LEU CB C 42.212 0.100 1 382 41 43 LEU CG C 27.232 0.100 1 383 41 43 LEU CD1 C 23.457 0.100 2 384 41 43 LEU CD2 C 25.041 0.100 2 385 41 43 LEU N N 121.281 0.100 1 386 42 44 ALA H H 8.111 0.020 1 387 42 44 ALA HA H 4.274 0.020 1 388 42 44 ALA HB H 1.411 0.020 1 389 42 44 ALA CA C 52.851 0.100 1 390 42 44 ALA CB C 19.135 0.100 1 391 42 44 ALA N N 123.964 0.100 1 392 43 45 ALA H H 8.101 0.020 1 393 43 45 ALA HA H 4.297 0.020 1 394 43 45 ALA HB H 1.409 0.020 1 395 43 45 ALA CA C 52.727 0.100 1 396 43 45 ALA CB C 19.318 0.100 1 397 43 45 ALA N N 122.146 0.100 1 398 44 46 LYS H H 8.198 0.020 1 399 44 46 LYS HA H 4.349 0.020 1 400 44 46 LYS HB2 H 1.764 0.020 2 401 44 46 LYS HB3 H 1.846 0.020 2 402 44 46 LYS CA C 56.267 0.100 1 403 44 46 LYS CB C 32.825 0.100 1 404 44 46 LYS N N 119.454 0.100 1 405 45 47 SER H H 8.251 0.020 1 406 45 47 SER HA H 4.368 0.020 1 407 45 47 SER HB2 H 3.873 0.020 2 408 45 47 SER HB3 H 3.977 0.020 2 409 45 47 SER CA C 58.477 0.100 1 410 45 47 SER CB C 64.063 0.100 1 411 45 47 SER N N 116.660 0.100 1 412 46 48 ASN H H 8.498 0.020 1 413 46 48 ASN HA H 4.361 0.020 1 414 46 48 ASN HB2 H 2.254 0.020 2 415 46 48 ASN HB3 H 2.306 0.020 2 416 46 48 ASN HD21 H 6.956 0.020 2 417 46 48 ASN HD22 H 7.391 0.020 2 418 46 48 ASN CA C 54.657 0.100 1 419 46 48 ASN CB C 37.649 0.100 1 420 46 48 ASN N N 120.516 0.100 1 421 46 48 ASN ND2 N 112.581 0.100 1 422 47 49 GLU H H 8.016 0.020 1 423 47 49 GLU HA H 3.350 0.020 1 424 47 49 GLU HB2 H 1.803 0.020 1 425 47 49 GLU HB3 H 1.837 0.020 1 426 47 49 GLU HG2 H 2.028 0.020 1 427 47 49 GLU HG3 H 2.028 0.020 1 428 47 49 GLU CA C 59.213 0.100 1 429 47 49 GLU CB C 28.998 0.100 1 430 47 49 GLU CG C 36.614 0.100 1 431 47 49 GLU N N 117.964 0.100 1 432 48 50 GLN H H 7.892 0.020 1 433 48 50 GLN HA H 4.250 0.020 1 434 48 50 GLN HB2 H 2.125 0.020 1 435 48 50 GLN HB3 H 2.125 0.020 1 436 48 50 GLN HG2 H 2.373 0.020 2 437 48 50 GLN HG3 H 2.520 0.020 2 438 48 50 GLN HE21 H 6.896 0.020 2 439 48 50 GLN HE22 H 7.682 0.020 2 440 48 50 GLN CA C 58.529 0.100 1 441 48 50 GLN CB C 28.902 0.100 1 442 48 50 GLN CG C 34.370 0.100 1 443 48 50 GLN N N 119.468 0.100 1 444 48 50 GLN NE2 N 112.178 0.100 1 445 49 51 LEU H H 7.699 0.020 1 446 49 51 LEU HA H 4.232 0.020 1 447 49 51 LEU HB2 H 1.806 0.020 1 448 49 51 LEU HB3 H 1.834 0.020 1 449 49 51 LEU HG H 1.783 0.020 1 450 49 51 LEU HD1 H 1.033 0.020 2 451 49 51 LEU HD2 H 1.042 0.020 2 452 49 51 LEU CA C 57.479 0.100 1 453 49 51 LEU CB C 41.391 0.100 1 454 49 51 LEU CG C 27.238 0.100 1 455 49 51 LEU CD1 C 24.396 0.100 2 456 49 51 LEU CD2 C 24.517 0.100 2 457 49 51 LEU N N 120.145 0.100 1 458 50 52 TRP H H 8.385 0.020 1 459 50 52 TRP HA H 4.520 0.020 1 460 50 52 TRP HB2 H 3.160 0.020 1 461 50 52 TRP HB3 H 3.423 0.020 1 462 50 52 TRP HD1 H 6.689 0.020 1 463 50 52 TRP HE1 H 9.148 0.020 1 464 50 52 TRP HE3 H 7.548 0.020 1 465 50 52 TRP HZ2 H 7.343 0.020 1 466 50 52 TRP HZ3 H 7.004 0.020 1 467 50 52 TRP HH2 H 7.011 0.020 1 468 50 52 TRP CA C 58.353 0.100 1 469 50 52 TRP CB C 28.880 0.100 1 470 50 52 TRP CD1 C 123.011 0.100 1 471 50 52 TRP CE3 C 120.491 0.100 1 472 50 52 TRP CZ2 C 115.784 0.100 1 473 50 52 TRP CZ3 C 121.891 0.100 1 474 50 52 TRP CH2 C 124.308 0.100 1 475 50 52 TRP N N 119.596 0.100 1 476 50 52 TRP NE1 N 126.465 0.100 1 477 51 53 GLU H H 8.223 0.020 1 478 51 53 GLU HA H 4.145 0.020 1 479 51 53 GLU HB2 H 2.223 0.020 2 480 51 53 GLU HB3 H 2.302 0.020 2 481 51 53 GLU HG2 H 2.509 0.020 1 482 51 53 GLU HG3 H 2.509 0.020 1 483 51 53 GLU CA C 60.035 0.100 1 484 51 53 GLU CB C 29.675 0.100 1 485 51 53 GLU CG C 36.235 0.100 1 486 51 53 GLU N N 119.362 0.100 1 487 52 54 ILE H H 7.801 0.020 1 488 52 54 ILE HA H 3.673 0.020 1 489 52 54 ILE HB H 2.127 0.020 1 490 52 54 ILE HG12 H 1.876 0.020 2 491 52 54 ILE HG13 H 1.078 0.020 2 492 52 54 ILE HG2 H 0.990 0.020 1 493 52 54 ILE HD1 H 0.951 0.020 1 494 52 54 ILE CA C 65.511 0.100 1 495 52 54 ILE CB C 38.532 0.100 1 496 52 54 ILE CG1 C 30.047 0.100 1 497 52 54 ILE CG2 C 17.453 0.100 1 498 52 54 ILE CD1 C 14.129 0.100 1 499 52 54 ILE N N 119.018 0.100 1 500 53 55 MET H H 8.411 0.020 1 501 53 55 MET HA H 4.452 0.020 1 502 53 55 MET HB2 H 2.233 0.020 1 503 53 55 MET HB3 H 2.494 0.020 1 504 53 55 MET HG2 H 2.964 0.020 2 505 53 55 MET HG3 H 3.026 0.020 2 506 53 55 MET HE H 2.312 0.020 1 507 53 55 MET CA C 58.216 0.100 1 508 53 55 MET CB C 31.838 0.100 1 509 53 55 MET CG C 32.269 0.100 1 510 53 55 MET CE C 17.656 0.100 1 511 53 55 MET N N 118.133 0.100 1 512 54 56 GLN H H 8.860 0.020 1 513 54 56 GLN HA H 4.333 0.020 1 514 54 56 GLN HB2 H 2.306 0.020 1 515 54 56 GLN HB3 H 2.335 0.020 1 516 54 56 GLN HG2 H 2.644 0.020 2 517 54 56 GLN HG3 H 2.713 0.020 2 518 54 56 GLN HE21 H 6.745 0.020 2 519 54 56 GLN HE22 H 7.602 0.020 2 520 54 56 GLN CA C 59.004 0.100 1 521 54 56 GLN CB C 27.824 0.100 1 522 54 56 GLN CG C 34.239 0.100 1 523 54 56 GLN N N 120.855 0.100 1 524 54 56 GLN NE2 N 110.893 0.100 1 525 55 57 LEU H H 8.298 0.020 1 526 55 57 LEU HA H 4.302 0.020 1 527 55 57 LEU HB2 H 2.256 0.020 1 528 55 57 LEU HB3 H 1.372 0.020 1 529 55 57 LEU HG H 2.032 0.020 1 530 55 57 LEU HD1 H 1.145 0.020 2 531 55 57 LEU HD2 H 0.954 0.020 2 532 55 57 LEU CA C 58.685 0.100 1 533 55 57 LEU CB C 42.695 0.100 1 534 55 57 LEU CG C 27.839 0.100 1 535 55 57 LEU CD1 C 23.672 0.100 2 536 55 57 LEU CD2 C 25.908 0.100 2 537 55 57 LEU N N 122.788 0.100 1 538 56 58 HIS H H 8.416 0.020 1 539 56 58 HIS HA H 4.317 0.020 1 540 56 58 HIS HB2 H 3.284 0.020 1 541 56 58 HIS HB3 H 3.399 0.020 1 542 56 58 HIS HD2 H 7.068 0.020 1 543 56 58 HIS HE1 H 7.750 0.020 1 544 56 58 HIS CA C 60.732 0.100 1 545 56 58 HIS CB C 30.530 0.100 1 546 56 58 HIS CD2 C 119.245 0.100 1 547 56 58 HIS CE1 C 138.825 0.100 1 548 56 58 HIS N N 118.426 0.100 1 549 57 59 HIS H H 8.608 0.020 1 550 57 59 HIS HA H 4.318 0.020 1 551 57 59 HIS HB2 H 3.916 0.020 1 552 57 59 HIS HB3 H 3.661 0.020 1 553 57 59 HIS HD2 H 6.816 0.020 1 554 57 59 HIS HE1 H 7.911 0.020 1 555 57 59 HIS CA C 60.739 0.100 1 556 57 59 HIS CB C 28.726 0.100 1 557 57 59 HIS CD2 C 127.031 0.100 1 558 57 59 HIS CE1 C 138.672 0.100 1 559 57 59 HIS N N 121.197 0.100 1 560 58 60 GLN H H 9.206 0.020 1 561 58 60 GLN HA H 4.202 0.020 1 562 58 60 GLN HB2 H 2.450 0.020 1 563 58 60 GLN HB3 H 2.450 0.020 1 564 58 60 GLN HG2 H 2.762 0.020 2 565 58 60 GLN HG3 H 2.918 0.020 2 566 58 60 GLN HE21 H 6.994 0.020 2 567 58 60 GLN HE22 H 7.542 0.020 2 568 58 60 GLN CA C 59.507 0.100 1 569 58 60 GLN CB C 29.111 0.100 1 570 58 60 GLN CG C 34.291 0.100 1 571 58 60 GLN N N 118.739 0.100 1 572 58 60 GLN NE2 N 111.256 0.100 1 573 59 61 ARG H H 8.623 0.020 1 574 59 61 ARG HA H 3.437 0.020 1 575 59 61 ARG CA C 60.361 0.100 1 576 59 61 ARG N N 122.498 0.100 1 577 60 62 SER H H 7.993 0.020 1 578 60 62 SER HA H 4.515 0.020 1 579 60 62 SER HB2 H 3.911 0.020 1 580 60 62 SER HB3 H 3.959 0.020 1 581 60 62 SER CA C 64.832 0.100 1 582 60 62 SER CB C 63.583 0.100 1 583 60 62 SER N N 114.930 0.100 1 584 61 63 ARG H H 9.569 0.020 1 585 61 63 ARG HA H 4.204 0.020 1 586 61 63 ARG HB2 H 1.790 0.020 1 587 61 63 ARG HB3 H 2.114 0.020 1 588 61 63 ARG CA C 58.852 0.100 1 589 61 63 ARG CB C 29.077 0.100 1 590 61 63 ARG N N 124.417 0.100 1 591 62 64 TYR H H 8.622 0.020 1 592 62 64 TYR HA H 4.676 0.020 1 593 62 64 TYR HB2 H 3.676 0.020 1 594 62 64 TYR HB3 H 3.540 0.020 1 595 62 64 TYR HD1 H 7.294 0.020 1 596 62 64 TYR HD2 H 7.294 0.020 1 597 62 64 TYR HE1 H 6.813 0.020 1 598 62 64 TYR HE2 H 6.813 0.020 1 599 62 64 TYR CA C 61.006 0.100 1 600 62 64 TYR CB C 38.392 0.100 1 601 62 64 TYR CD1 C 132.883 0.100 1 602 62 64 TYR CD2 C 132.883 0.100 1 603 62 64 TYR CE1 C 118.380 0.100 1 604 62 64 TYR CE2 C 118.380 0.100 1 605 62 64 TYR N N 124.484 0.100 1 606 63 65 ILE H H 7.588 0.020 1 607 63 65 ILE HA H 3.492 0.020 1 608 63 65 ILE HB H 2.089 0.020 1 609 63 65 ILE HG12 H 1.295 0.020 2 610 63 65 ILE HG13 H 2.106 0.020 2 611 63 65 ILE HG2 H 1.064 0.020 1 612 63 65 ILE HD1 H 1.035 0.020 1 613 63 65 ILE CA C 65.693 0.100 1 614 63 65 ILE CB C 38.023 0.100 1 615 63 65 ILE CG1 C 30.181 0.100 1 616 63 65 ILE CG2 C 17.799 0.100 1 617 63 65 ILE CD1 C 14.970 0.100 1 618 63 65 ILE N N 119.789 0.100 1 619 64 66 TYR H H 9.166 0.020 1 620 64 66 TYR HA H 4.577 0.020 1 621 64 66 TYR HB2 H 3.631 0.020 1 622 64 66 TYR HB3 H 3.681 0.020 1 623 64 66 TYR HD1 H 7.265 0.020 1 624 64 66 TYR HD2 H 7.265 0.020 1 625 64 66 TYR HE1 H 6.537 0.020 1 626 64 66 TYR HE2 H 6.537 0.020 1 627 64 66 TYR CA C 61.759 0.100 1 628 64 66 TYR CB C 39.772 0.100 1 629 64 66 TYR CD1 C 133.545 0.100 1 630 64 66 TYR CD2 C 133.545 0.100 1 631 64 66 TYR CE1 C 118.100 0.100 1 632 64 66 TYR CE2 C 118.100 0.100 1 633 64 66 TYR N N 120.485 0.100 1 634 65 67 THR H H 8.987 0.020 1 635 65 67 THR HA H 3.562 0.020 1 636 65 67 THR HB H 4.537 0.020 1 637 65 67 THR HG2 H 1.275 0.020 1 638 65 67 THR CA C 67.016 0.100 1 639 65 67 THR CB C 68.711 0.100 1 640 65 67 THR CG2 C 21.782 0.100 1 641 65 67 THR N N 117.072 0.100 1 642 66 68 LEU H H 8.286 0.020 1 643 66 68 LEU HA H 3.782 0.020 1 644 66 68 LEU HB2 H 1.215 0.020 1 645 66 68 LEU HB3 H 2.026 0.020 1 646 66 68 LEU HG H 1.421 0.020 1 647 66 68 LEU HD1 H 0.717 0.020 2 648 66 68 LEU HD2 H 0.537 0.020 2 649 66 68 LEU CA C 58.476 0.100 1 650 66 68 LEU CB C 43.183 0.100 1 651 66 68 LEU CG C 26.064 0.100 1 652 66 68 LEU CD1 C 22.864 0.100 2 653 66 68 LEU CD2 C 26.195 0.100 2 654 66 68 LEU N N 122.107 0.100 1 655 67 69 TYR H H 7.983 0.020 1 656 67 69 TYR HA H 4.344 0.020 1 657 67 69 TYR HB2 H 2.623 0.020 1 658 67 69 TYR HB3 H 2.623 0.020 1 659 67 69 TYR HD1 H 5.745 0.020 1 660 67 69 TYR HD2 H 5.745 0.020 1 661 67 69 TYR HE1 H 6.081 0.020 1 662 67 69 TYR HE2 H 6.081 0.020 1 663 67 69 TYR CA C 60.830 0.100 1 664 67 69 TYR CB C 40.376 0.100 1 665 67 69 TYR CD1 C 132.832 0.100 1 666 67 69 TYR CD2 C 132.832 0.100 1 667 67 69 TYR CE1 C 117.209 0.100 1 668 67 69 TYR CE2 C 117.209 0.100 1 669 67 69 TYR N N 115.264 0.100 1 670 68 70 TYR H H 8.297 0.020 1 671 68 70 TYR HA H 3.699 0.020 1 672 68 70 TYR HB2 H 2.201 0.020 1 673 68 70 TYR HB3 H 2.748 0.020 1 674 68 70 TYR HD1 H 7.153 0.020 1 675 68 70 TYR HD2 H 7.153 0.020 1 676 68 70 TYR HE1 H 7.050 0.020 1 677 68 70 TYR HE2 H 7.050 0.020 1 678 68 70 TYR CA C 62.030 0.100 1 679 68 70 TYR CB C 38.046 0.100 1 680 68 70 TYR CD1 C 133.138 0.100 1 681 68 70 TYR CD2 C 133.138 0.100 1 682 68 70 TYR CE1 C 118.176 0.100 1 683 68 70 TYR CE2 C 118.176 0.100 1 684 68 70 TYR N N 113.945 0.100 1 685 69 71 LYS H H 7.084 0.020 1 686 69 71 LYS HA H 4.564 0.020 1 687 69 71 LYS HB2 H 2.188 0.020 1 688 69 71 LYS HB3 H 2.001 0.020 1 689 69 71 LYS HG2 H 1.295 0.020 2 690 69 71 LYS HG3 H 1.461 0.020 2 691 69 71 LYS HD2 H 1.666 0.020 1 692 69 71 LYS HD3 H 1.666 0.020 1 693 69 71 LYS HE2 H 2.958 0.020 2 694 69 71 LYS HE3 H 3.017 0.020 2 695 69 71 LYS CA C 56.821 0.100 1 696 69 71 LYS CB C 31.980 0.100 1 697 69 71 LYS CG C 24.346 0.100 1 698 69 71 LYS CD C 28.248 0.100 1 699 69 71 LYS CE C 42.073 0.100 1 700 69 71 LYS N N 114.346 0.100 1 701 70 72 ARG H H 8.178 0.020 1 702 70 72 ARG HA H 4.251 0.020 1 703 70 72 ARG HB2 H 1.887 0.020 2 704 70 72 ARG HB3 H 2.034 0.020 2 705 70 72 ARG HD2 H 3.117 0.020 2 706 70 72 ARG HD3 H 3.162 0.020 2 707 70 72 ARG CA C 56.314 0.100 1 708 70 72 ARG CB C 31.128 0.100 1 709 70 72 ARG CD C 43.319 0.100 1 710 70 72 ARG N N 114.676 0.100 1 711 71 73 LYS H H 6.843 0.020 1 712 71 73 LYS HA H 4.036 0.020 1 713 71 73 LYS HB2 H 1.834 0.020 1 714 71 73 LYS HB3 H 1.834 0.020 1 715 71 73 LYS HE2 H 2.870 0.020 1 716 71 73 LYS HE3 H 2.870 0.020 1 717 71 73 LYS CA C 57.121 0.100 1 718 71 73 LYS CB C 28.897 0.100 1 719 71 73 LYS CE C 42.345 0.100 1 720 71 73 LYS N N 115.371 0.100 1 721 72 74 ALA H H 8.560 0.020 1 722 72 74 ALA HA H 4.395 0.020 1 723 72 74 ALA HB H 1.364 0.020 1 724 72 74 ALA CA C 52.597 0.100 1 725 72 74 ALA CB C 21.560 0.100 1 726 72 74 ALA N N 117.701 0.100 1 727 73 75 ILE H H 7.074 0.020 1 728 73 75 ILE HB H 2.090 0.020 1 729 73 75 ILE HG12 H 0.744 0.020 2 730 73 75 ILE HG13 H 1.683 0.020 2 731 73 75 ILE HG2 H 0.941 0.020 1 732 73 75 ILE HD1 H 0.907 0.020 1 733 73 75 ILE CB C 42.724 0.100 1 734 73 75 ILE CG1 C 24.279 0.100 1 735 73 75 ILE CG2 C 18.549 0.100 1 736 73 75 ILE CD1 C 14.331 0.100 1 737 73 75 ILE N N 107.605 0.100 1 738 74 76 SER H H 8.797 0.020 1 739 74 76 SER HA H 4.484 0.020 1 740 74 76 SER HB2 H 4.135 0.020 2 741 74 76 SER HB3 H 4.477 0.020 2 742 74 76 SER CA C 57.082 0.100 1 743 74 76 SER CB C 65.396 0.100 1 744 74 76 SER N N 118.425 0.100 1 745 75 77 LYS H H 9.024 0.020 1 746 75 77 LYS HA H 3.851 0.020 1 747 75 77 LYS HB2 H 1.861 0.020 2 748 75 77 LYS HB3 H 2.117 0.020 2 749 75 77 LYS HE2 H 3.126 0.020 1 750 75 77 LYS HE3 H 3.126 0.020 1 751 75 77 LYS CA C 59.624 0.100 1 752 75 77 LYS CB C 32.368 0.100 1 753 75 77 LYS CE C 42.593 0.100 1 754 75 77 LYS N N 121.891 0.100 1 755 76 78 ASP H H 8.161 0.020 1 756 76 78 ASP HA H 4.423 0.020 1 757 76 78 ASP HB2 H 2.653 0.020 1 758 76 78 ASP HB3 H 2.578 0.020 1 759 76 78 ASP CA C 57.362 0.100 1 760 76 78 ASP CB C 40.391 0.100 1 761 76 78 ASP N N 115.908 0.100 1 762 77 79 LEU H H 8.345 0.020 1 763 77 79 LEU HA H 4.180 0.020 1 764 77 79 LEU HD1 H 1.057 0.020 2 765 77 79 LEU HD2 H 0.987 0.020 2 766 77 79 LEU CA C 57.818 0.100 1 767 77 79 LEU CD1 C 23.510 0.100 2 768 77 79 LEU CD2 C 25.759 0.100 2 769 77 79 LEU N N 121.705 0.100 1 770 78 80 TYR H H 8.598 0.020 1 771 78 80 TYR HA H 3.789 0.020 1 772 78 80 TYR HB2 H 2.214 0.020 1 773 78 80 TYR HB3 H 2.421 0.020 1 774 78 80 TYR HD1 H 6.555 0.020 1 775 78 80 TYR HD2 H 6.555 0.020 1 776 78 80 TYR HE1 H 6.622 0.020 1 777 78 80 TYR HE2 H 6.622 0.020 1 778 78 80 TYR CA C 62.857 0.100 1 779 78 80 TYR CB C 38.369 0.100 1 780 78 80 TYR CD1 C 132.680 0.100 1 781 78 80 TYR CD2 C 132.680 0.100 1 782 78 80 TYR CE1 C 117.871 0.100 1 783 78 80 TYR CE2 C 117.871 0.100 1 784 78 80 TYR N N 121.511 0.100 1 785 79 81 ASP H H 9.106 0.020 1 786 79 81 ASP HA H 4.066 0.020 1 787 79 81 ASP HB2 H 2.566 0.020 1 788 79 81 ASP HB3 H 2.819 0.020 1 789 79 81 ASP CA C 57.219 0.100 1 790 79 81 ASP CB C 40.003 0.100 1 791 79 81 ASP N N 117.189 0.100 1 792 80 82 TRP H H 7.931 0.020 1 793 80 82 TRP HA H 4.160 0.020 1 794 80 82 TRP HB2 H 3.296 0.020 1 795 80 82 TRP HB3 H 3.563 0.020 1 796 80 82 TRP HD1 H 7.233 0.020 1 797 80 82 TRP HE1 H 9.858 0.020 1 798 80 82 TRP HE3 H 7.141 0.020 1 799 80 82 TRP HZ2 H 7.263 0.020 1 800 80 82 TRP HZ3 H 6.395 0.020 1 801 80 82 TRP HH2 H 6.708 0.020 1 802 80 82 TRP CA C 62.368 0.100 1 803 80 82 TRP CB C 29.969 0.100 1 804 80 82 TRP CD1 C 126.827 0.100 1 805 80 82 TRP CE3 C 118.939 0.100 1 806 80 82 TRP CZ2 C 114.512 0.100 1 807 80 82 TRP CZ3 C 122.578 0.100 1 808 80 82 TRP CH2 C 124.664 0.100 1 809 80 82 TRP N N 123.400 0.100 1 810 80 82 TRP NE1 N 129.199 0.100 1 811 81 83 LEU H H 8.814 0.020 1 812 81 83 LEU HA H 3.971 0.020 1 813 81 83 LEU HB2 H 2.384 0.020 1 814 81 83 LEU HB3 H 1.280 0.020 1 815 81 83 LEU HD1 H 0.972 0.020 2 816 81 83 LEU HD2 H 0.907 0.020 2 817 81 83 LEU CA C 58.294 0.100 1 818 81 83 LEU CB C 41.818 0.100 1 819 81 83 LEU CD1 C 24.227 0.100 2 820 81 83 LEU CD2 C 27.741 0.100 2 821 81 83 LEU N N 119.674 0.100 1 822 82 84 ILE H H 7.886 0.020 1 823 82 84 ILE HA H 3.861 0.020 1 824 82 84 ILE HB H 1.943 0.020 1 825 82 84 ILE HG12 H 0.954 0.020 2 826 82 84 ILE HG13 H 0.866 0.020 2 827 82 84 ILE HG2 H 0.840 0.020 1 828 82 84 ILE HD1 H 0.409 0.020 1 829 82 84 ILE CA C 62.734 0.100 1 830 82 84 ILE CB C 36.236 0.100 1 831 82 84 ILE CG1 C 27.212 0.100 1 832 82 84 ILE CG2 C 18.060 0.100 1 833 82 84 ILE CD1 C 10.609 0.100 1 834 82 84 ILE N N 118.746 0.100 1 835 83 85 LYS H H 8.224 0.020 1 836 83 85 LYS HA H 3.911 0.020 1 837 83 85 LYS HB2 H 1.873 0.020 1 838 83 85 LYS HB3 H 1.873 0.020 1 839 83 85 LYS CA C 59.643 0.100 1 840 83 85 LYS CB C 32.027 0.100 1 841 83 85 LYS N N 124.819 0.100 1 842 84 86 GLU H H 8.138 0.020 1 843 84 86 GLU HA H 3.841 0.020 1 844 84 86 GLU HB2 H 1.109 0.020 1 845 84 86 GLU HB3 H 1.864 0.020 1 846 84 86 GLU HG2 H 0.503 0.020 2 847 84 86 GLU HG3 H 1.069 0.020 2 848 84 86 GLU CA C 55.582 0.100 1 849 84 86 GLU CB C 29.459 0.100 1 850 84 86 GLU CG C 34.601 0.100 1 851 84 86 GLU N N 115.404 0.100 1 852 85 87 LYS H H 7.719 0.020 1 853 85 87 LYS HA H 3.820 0.020 1 854 85 87 LYS HB2 H 1.873 0.020 2 855 85 87 LYS HB3 H 1.994 0.020 2 856 85 87 LYS CA C 57.890 0.100 1 857 85 87 LYS CB C 28.005 0.100 1 858 85 87 LYS N N 111.563 0.100 1 859 86 88 TYR H H 8.521 0.020 1 860 86 88 TYR HA H 4.137 0.020 1 861 86 88 TYR HB2 H 2.804 0.020 1 862 86 88 TYR HB3 H 2.932 0.020 1 863 86 88 TYR HD1 H 7.127 0.020 1 864 86 88 TYR HD2 H 7.127 0.020 1 865 86 88 TYR HE1 H 6.877 0.020 1 866 86 88 TYR HE2 H 6.877 0.020 1 867 86 88 TYR CA C 61.228 0.100 1 868 86 88 TYR CB C 39.535 0.100 1 869 86 88 TYR CD1 C 132.985 0.100 1 870 86 88 TYR CD2 C 132.985 0.100 1 871 86 88 TYR CE1 C 118.838 0.100 1 872 86 88 TYR CE2 C 118.838 0.100 1 873 86 88 TYR N N 116.916 0.100 1 874 87 89 ALA H H 6.959 0.020 1 875 87 89 ALA HA H 4.738 0.020 1 876 87 89 ALA HB H 1.267 0.020 1 877 87 89 ALA CA C 49.121 0.100 1 878 87 89 ALA CB C 23.295 0.100 1 879 87 89 ALA N N 113.715 0.100 1 880 88 90 ASP H H 7.870 0.020 1 881 88 90 ASP HA H 4.544 0.020 1 882 88 90 ASP HB2 H 2.430 0.020 1 883 88 90 ASP HB3 H 2.769 0.020 1 884 88 90 ASP CA C 52.714 0.100 1 885 88 90 ASP CB C 41.845 0.100 1 886 88 90 ASP N N 119.344 0.100 1 887 89 91 LYS H H 8.467 0.020 1 888 89 91 LYS HA H 3.834 0.020 1 889 89 91 LYS HB2 H 1.801 0.020 1 890 89 91 LYS HB3 H 1.982 0.020 1 891 89 91 LYS CA C 59.409 0.100 1 892 89 91 LYS CB C 32.848 0.100 1 893 89 91 LYS N N 125.312 0.100 1 894 90 92 LEU H H 8.076 0.020 1 895 90 92 LEU HA H 4.023 0.020 1 896 90 92 LEU HB2 H 1.313 0.020 2 897 90 92 LEU HB3 H 1.855 0.020 2 898 90 92 LEU HG H 1.592 0.020 1 899 90 92 LEU HD1 H 0.775 0.020 2 900 90 92 LEU HD2 H 0.875 0.020 2 901 90 92 LEU CA C 57.049 0.100 1 902 90 92 LEU CB C 41.099 0.100 1 903 90 92 LEU CG C 27.441 0.100 1 904 90 92 LEU CD1 C 22.623 0.100 2 905 90 92 LEU CD2 C 24.918 0.100 2 906 90 92 LEU N N 119.899 0.100 1 907 91 93 LEU H H 7.120 0.020 1 908 91 93 LEU HA H 3.498 0.020 1 909 91 93 LEU HB2 H 0.953 0.020 1 910 91 93 LEU HB3 H 1.113 0.020 1 911 91 93 LEU HG H -0.200 0.020 1 912 91 93 LEU HD1 H 0.362 0.020 2 913 91 93 LEU HD2 H 0.679 0.020 2 914 91 93 LEU CA C 56.971 0.100 1 915 91 93 LEU CB C 41.823 0.100 1 916 91 93 LEU CG C 25.661 0.100 1 917 91 93 LEU CD1 C 21.899 0.100 2 918 91 93 LEU CD2 C 26.456 0.100 2 919 91 93 LEU N N 123.148 0.100 1 920 92 94 ILE H H 7.384 0.020 1 921 92 94 ILE HA H 3.265 0.020 1 922 92 94 ILE HB H 1.688 0.020 1 923 92 94 ILE HG12 H 1.336 0.020 1 924 92 94 ILE HG13 H 1.336 0.020 1 925 92 94 ILE HG2 H 1.344 0.020 1 926 92 94 ILE HD1 H 1.204 0.020 1 927 92 94 ILE CA C 65.178 0.100 1 928 92 94 ILE CB C 38.209 0.100 1 929 92 94 ILE CG1 C 31.786 0.100 1 930 92 94 ILE CG2 C 17.590 0.100 1 931 92 94 ILE CD1 C 14.272 0.100 1 932 92 94 ILE N N 116.780 0.100 1 933 93 95 ALA H H 7.437 0.020 1 934 93 95 ALA HA H 3.930 0.020 1 935 93 95 ALA HB H 1.398 0.020 1 936 93 95 ALA CA C 54.839 0.100 1 937 93 95 ALA CB C 18.125 0.100 1 938 93 95 ALA N N 117.061 0.100 1 939 94 96 LYS H H 7.012 0.020 1 940 94 96 LYS HA H 3.803 0.020 1 941 94 96 LYS HB2 H 1.872 0.020 1 942 94 96 LYS HB3 H 1.426 0.020 1 943 94 96 LYS HG2 H 1.401 0.020 1 944 94 96 LYS HG3 H 1.401 0.020 1 945 94 96 LYS HD2 H 1.127 0.020 1 946 94 96 LYS HD3 H 1.127 0.020 1 947 94 96 LYS HE2 H 2.349 0.020 2 948 94 96 LYS HE3 H 2.432 0.020 2 949 94 96 LYS CA C 56.945 0.100 1 950 94 96 LYS CB C 31.047 0.100 1 951 94 96 LYS CG C 23.859 0.100 1 952 94 96 LYS CD C 27.578 0.100 1 953 94 96 LYS CE C 41.760 0.100 1 954 94 96 LYS N N 116.036 0.100 1 955 95 97 TRP H H 7.611 0.020 1 956 95 97 TRP HA H 4.814 0.020 1 957 95 97 TRP HB2 H 3.035 0.020 1 958 95 97 TRP HB3 H 2.612 0.020 1 959 95 97 TRP HD1 H 7.693 0.020 1 960 95 97 TRP HE1 H 11.318 0.020 1 961 95 97 TRP HE3 H 6.530 0.020 1 962 95 97 TRP HZ2 H 6.281 0.020 1 963 95 97 TRP HZ3 H 6.451 0.020 1 964 95 97 TRP HH2 H 6.996 0.020 1 965 95 97 TRP CA C 57.136 0.100 1 966 95 97 TRP CB C 28.171 0.100 1 967 95 97 TRP CD1 C 125.402 0.100 1 968 95 97 TRP CE3 C 118.303 0.100 1 969 95 97 TRP CZ2 C 113.978 0.100 1 970 95 97 TRP CZ3 C 119.779 0.100 1 971 95 97 TRP CH2 C 123.494 0.100 1 972 95 97 TRP N N 118.700 0.100 1 973 95 97 TRP NE1 N 130.138 0.100 1 974 96 98 ARG H H 7.066 0.020 1 975 96 98 ARG HA H 4.233 0.020 1 976 96 98 ARG HB2 H 1.630 0.020 1 977 96 98 ARG HB3 H 2.171 0.020 1 978 96 98 ARG HD2 H 2.715 0.020 1 979 96 98 ARG HD3 H 2.715 0.020 1 980 96 98 ARG CA C 56.234 0.100 1 981 96 98 ARG CB C 30.245 0.100 1 982 96 98 ARG CD C 42.848 0.100 1 983 96 98 ARG N N 113.031 0.100 1 984 97 99 LYS H H 8.467 0.020 1 985 97 99 LYS HA H 4.634 0.020 1 986 97 99 LYS HB2 H 2.002 0.020 1 987 97 99 LYS HB3 H 2.032 0.020 1 988 97 99 LYS HG2 H 1.525 0.020 2 989 97 99 LYS HG3 H 1.594 0.020 2 990 97 99 LYS HD2 H 1.491 0.020 1 991 97 99 LYS HD3 H 1.491 0.020 1 992 97 99 LYS HE2 H 2.970 0.020 1 993 97 99 LYS HE3 H 2.970 0.020 1 994 97 99 LYS CA C 54.937 0.100 1 995 97 99 LYS CB C 34.166 0.100 1 996 97 99 LYS CG C 24.446 0.100 1 997 97 99 LYS CD C 29.111 0.100 1 998 97 99 LYS CE C 42.192 0.100 1 999 97 99 LYS N N 123.252 0.100 1 1000 98 100 THR H H 8.329 0.020 1 1001 98 100 THR HA H 4.224 0.020 1 1002 98 100 THR HB H 4.054 0.020 1 1003 98 100 THR HG2 H 1.334 0.020 1 1004 98 100 THR CA C 64.670 0.100 1 1005 98 100 THR CB C 69.200 0.100 1 1006 98 100 THR CG2 C 21.880 0.100 1 1007 98 100 THR N N 119.993 0.100 1 1008 99 101 GLY H H 9.273 0.020 1 1009 99 101 GLY HA2 H 3.657 0.020 2 1010 99 101 GLY HA3 H 4.326 0.020 2 1011 99 101 GLY CA C 45.047 0.100 1 1012 99 101 GLY N N 116.645 0.100 1 1013 100 102 TYR H H 8.457 0.020 1 1014 100 102 TYR HA H 4.704 0.020 1 1015 100 102 TYR HB2 H 3.480 0.020 1 1016 100 102 TYR HB3 H 3.154 0.020 1 1017 100 102 TYR HD1 H 6.958 0.020 1 1018 100 102 TYR HD2 H 6.958 0.020 1 1019 100 102 TYR HE1 H 6.875 0.020 1 1020 100 102 TYR HE2 H 6.875 0.020 1 1021 100 102 TYR CA C 57.697 0.100 1 1022 100 102 TYR CB C 39.413 0.100 1 1023 100 102 TYR CD1 C 133.494 0.100 1 1024 100 102 TYR CD2 C 133.494 0.100 1 1025 100 102 TYR CE1 C 117.871 0.100 1 1026 100 102 TYR CE2 C 117.871 0.100 1 1027 100 102 TYR N N 120.784 0.100 1 1028 101 103 GLU H H 9.836 0.020 1 1029 101 103 GLU HA H 4.601 0.020 1 1030 101 103 GLU HB2 H 2.029 0.020 1 1031 101 103 GLU HB3 H 2.029 0.020 1 1032 101 103 GLU CA C 61.207 0.100 1 1033 101 103 GLU CB C 29.648 0.100 1 1034 101 103 GLU N N 119.482 0.100 1 1035 102 104 LYS H H 8.291 0.020 1 1036 102 104 LYS HA H 4.295 0.020 1 1037 102 104 LYS HB2 H 1.602 0.020 1 1038 102 104 LYS HB3 H 1.925 0.020 1 1039 102 104 LYS HG2 H 1.258 0.020 2 1040 102 104 LYS HG3 H 1.292 0.020 2 1041 102 104 LYS HE2 H 2.883 0.020 1 1042 102 104 LYS HE3 H 2.883 0.020 1 1043 102 104 LYS CA C 54.207 0.100 1 1044 102 104 LYS CB C 32.489 0.100 1 1045 102 104 LYS CG C 24.919 0.100 1 1046 102 104 LYS CE C 42.098 0.100 1 1047 102 104 LYS N N 115.179 0.100 1 1048 103 105 LEU H H 7.642 0.020 1 1049 103 105 LEU HA H 4.385 0.020 1 1050 103 105 LEU HB2 H 1.787 0.020 2 1051 103 105 LEU HB3 H 2.040 0.020 2 1052 103 105 LEU HD1 H 1.262 0.020 2 1053 103 105 LEU HD2 H 0.779 0.020 2 1054 103 105 LEU CA C 56.549 0.100 1 1055 103 105 LEU CB C 43.864 0.100 1 1056 103 105 LEU CD1 C 24.592 0.100 2 1057 103 105 LEU CD2 C 27.395 0.100 2 1058 103 105 LEU N N 119.637 0.100 1 1059 104 106 CYS H H 8.638 0.020 1 1060 104 106 CYS HA H 4.498 0.020 1 1061 104 106 CYS HB2 H 3.405 0.020 1 1062 104 106 CYS HB3 H 3.335 0.020 1 1063 104 106 CYS CA C 58.076 0.100 1 1064 104 106 CYS CB C 32.301 0.100 1 1065 104 106 CYS N N 129.651 0.100 1 1066 105 107 CYS H H 8.158 0.020 1 1067 105 107 CYS HA H 4.806 0.020 1 1068 105 107 CYS HB2 H 3.001 0.020 2 1069 105 107 CYS HB3 H 3.059 0.020 2 1070 105 107 CYS CA C 58.271 0.100 1 1071 105 107 CYS CB C 32.062 0.100 1 1072 105 107 CYS N N 120.206 0.100 1 1073 106 108 LEU H H 8.466 0.020 1 1074 106 108 LEU HA H 4.054 0.020 1 1075 106 108 LEU HB2 H 1.613 0.020 1 1076 106 108 LEU HB3 H 1.411 0.020 1 1077 106 108 LEU HG H 1.505 0.020 1 1078 106 108 LEU HD1 H 0.562 0.020 2 1079 106 108 LEU HD2 H 0.769 0.020 2 1080 106 108 LEU CA C 56.110 0.100 1 1081 106 108 LEU CB C 41.227 0.100 1 1082 106 108 LEU CG C 27.311 0.100 1 1083 106 108 LEU CD1 C 22.734 0.100 1 1084 106 108 LEU CD2 C 25.863 0.100 2 1085 106 108 LEU N N 115.513 0.100 1 1086 107 109 ARG H H 8.131 0.020 1 1087 107 109 ARG HA H 3.993 0.020 1 1088 107 109 ARG HB2 H 1.955 0.020 1 1089 107 109 ARG HB3 H 1.981 0.020 1 1090 107 109 ARG HD2 H 3.167 0.020 1 1091 107 109 ARG HD3 H 3.167 0.020 1 1092 107 109 ARG CA C 58.311 0.100 1 1093 107 109 ARG CB C 28.965 0.100 1 1094 107 109 ARG CD C 42.841 0.100 1 1095 107 109 ARG N N 122.711 0.100 1 1096 108 110 CYS H H 8.010 0.020 1 1097 108 110 CYS HA H 4.101 0.020 1 1098 108 110 CYS HB2 H 3.061 0.020 1 1099 108 110 CYS HB3 H 2.782 0.020 1 1100 108 110 CYS CA C 63.936 0.100 1 1101 108 110 CYS CB C 30.934 0.100 1 1102 108 110 CYS N N 119.055 0.100 1 1103 109 111 ILE H H 7.105 0.020 1 1104 109 111 ILE HA H 4.684 0.020 1 1105 109 111 ILE HB H 2.474 0.020 1 1106 109 111 ILE HG12 H 1.186 0.020 2 1107 109 111 ILE HG13 H 1.427 0.020 2 1108 109 111 ILE HG2 H 1.069 0.020 1 1109 109 111 ILE HD1 H 0.822 0.020 1 1110 109 111 ILE CA C 60.483 0.100 1 1111 109 111 ILE CB C 38.320 0.100 1 1112 109 111 ILE CG1 C 26.511 0.100 1 1113 109 111 ILE CG2 C 20.146 0.100 1 1114 109 111 ILE CD1 C 15.517 0.100 1 1115 109 111 ILE N N 107.315 0.100 1 1116 110 112 GLN H H 7.156 0.020 1 1117 110 112 GLN HA H 4.268 0.020 1 1118 110 112 GLN HB2 H 2.009 0.020 1 1119 110 112 GLN HB3 H 2.009 0.020 1 1120 110 112 GLN HG2 H 2.366 0.020 2 1121 110 112 GLN HG3 H 2.444 0.020 2 1122 110 112 GLN HE21 H 6.821 0.020 2 1123 110 112 GLN HE22 H 7.437 0.020 2 1124 110 112 GLN CA C 55.981 0.100 1 1125 110 112 GLN CB C 29.656 0.100 1 1126 110 112 GLN CG C 33.952 0.100 1 1127 110 112 GLN N N 122.468 0.100 1 1128 110 112 GLN NE2 N 111.684 0.100 1 1129 111 113 LYS H H 8.522 0.020 1 1130 111 113 LYS HA H 4.246 0.020 1 1131 111 113 LYS HB2 H 1.692 0.020 1 1132 111 113 LYS HB3 H 1.692 0.020 1 1133 111 113 LYS HE2 H 2.994 0.020 1 1134 111 113 LYS HE3 H 2.994 0.020 1 1135 111 113 LYS CA C 56.546 0.100 1 1136 111 113 LYS CB C 32.846 0.100 1 1137 111 113 LYS CE C 42.191 0.100 1 1138 111 113 LYS N N 124.650 0.100 1 1139 112 114 ASN H H 8.360 0.020 1 1140 112 114 ASN HA H 4.778 0.020 1 1141 112 114 ASN HB2 H 2.953 0.020 1 1142 112 114 ASN HB3 H 2.953 0.020 1 1143 112 114 ASN HD21 H 6.904 0.020 2 1144 112 114 ASN HD22 H 7.668 0.020 2 1145 112 114 ASN CA C 52.902 0.100 1 1146 112 114 ASN CB C 39.328 0.100 1 1147 112 114 ASN N N 120.972 0.100 1 1148 112 114 ASN ND2 N 113.563 0.100 1 1149 113 115 GLU H H 9.023 0.020 1 1150 113 115 GLU HA H 4.248 0.020 1 1151 113 115 GLU HB2 H 2.056 0.020 2 1152 113 115 GLU HB3 H 2.152 0.020 2 1153 113 115 GLU HG2 H 2.320 0.020 1 1154 113 115 GLU HG3 H 2.320 0.020 1 1155 113 115 GLU CA C 58.611 0.100 1 1156 113 115 GLU CB C 29.590 0.100 1 1157 113 115 GLU CG C 36.333 0.100 1 1158 113 115 GLU N N 121.710 0.100 1 1159 114 116 THR H H 8.112 0.020 1 1160 114 116 THR HA H 4.321 0.020 1 1161 114 116 THR HB H 4.308 0.020 1 1162 114 116 THR HG2 H 1.239 0.020 1 1163 114 116 THR CA C 63.161 0.100 1 1164 114 116 THR CB C 69.481 0.100 1 1165 114 116 THR CG2 C 21.939 0.100 1 1166 114 116 THR N N 112.186 0.100 1 1167 115 117 ASN H H 8.047 0.020 1 1168 115 117 ASN HA H 4.829 0.020 1 1169 115 117 ASN HB2 H 2.789 0.020 2 1170 115 117 ASN HB3 H 2.903 0.020 2 1171 115 117 ASN HD21 H 6.851 0.020 2 1172 115 117 ASN HD22 H 7.665 0.020 2 1173 115 117 ASN CA C 53.110 0.100 1 1174 115 117 ASN CB C 38.659 0.100 1 1175 115 117 ASN N N 119.112 0.100 1 1176 115 117 ASN ND2 N 112.198 0.100 1 1177 116 118 ASN H H 8.364 0.020 1 1178 116 118 ASN HA H 4.615 0.020 1 1179 116 118 ASN HB2 H 2.813 0.020 2 1180 116 118 ASN HB3 H 2.989 0.020 2 1181 116 118 ASN HD21 H 6.912 0.020 2 1182 116 118 ASN HD22 H 7.608 0.020 2 1183 116 118 ASN CA C 53.965 0.100 1 1184 116 118 ASN CB C 38.173 0.100 1 1185 116 118 ASN N N 117.175 0.100 1 1186 116 118 ASN ND2 N 112.700 0.100 1 1187 117 119 GLY H H 8.264 0.020 1 1188 117 119 GLY HA2 H 3.798 0.020 2 1189 117 119 GLY HA3 H 4.056 0.020 2 1190 117 119 GLY CA C 45.882 0.100 1 1191 117 119 GLY N N 107.294 0.100 1 1192 118 120 SER H H 7.905 0.020 1 1193 118 120 SER HA H 4.586 0.020 1 1194 118 120 SER HB2 H 3.920 0.020 1 1195 118 120 SER HB3 H 3.953 0.020 1 1196 118 120 SER CA C 57.974 0.100 1 1197 118 120 SER CB C 64.479 0.100 1 1198 118 120 SER N N 115.475 0.100 1 1199 119 121 THR H H 8.044 0.020 1 1200 119 121 THR HA H 4.450 0.020 1 1201 119 121 THR HB H 4.569 0.020 1 1202 119 121 THR HG2 H 1.196 0.020 1 1203 119 121 THR CA C 61.215 0.100 1 1204 119 121 THR CB C 70.569 0.100 1 1205 119 121 THR CG2 C 22.154 0.100 1 1206 119 121 THR N N 111.360 0.100 1 1207 120 122 CYS H H 8.045 0.020 1 1208 120 122 CYS HA H 4.255 0.020 1 1209 120 122 CYS HB2 H 3.312 0.020 1 1210 120 122 CYS HB3 H 3.155 0.020 1 1211 120 122 CYS CA C 61.469 0.100 1 1212 120 122 CYS CB C 30.892 0.100 1 1213 120 122 CYS N N 122.708 0.100 1 1214 121 123 ILE H H 8.237 0.020 1 1215 121 123 ILE HA H 4.025 0.020 1 1216 121 123 ILE HB H 1.730 0.020 1 1217 121 123 ILE HG12 H 0.912 0.020 2 1218 121 123 ILE HG13 H 1.331 0.020 2 1219 121 123 ILE HG2 H 0.601 0.020 1 1220 121 123 ILE HD1 H 0.827 0.020 1 1221 121 123 ILE CA C 63.353 0.100 1 1222 121 123 ILE CB C 38.222 0.100 1 1223 121 123 ILE CG1 C 28.716 0.100 1 1224 121 123 ILE CG2 C 17.753 0.100 1 1225 121 123 ILE CD1 C 13.979 0.100 1 1226 121 123 ILE N N 132.463 0.100 1 1227 122 124 CYS H H 9.355 0.020 1 1228 122 124 CYS HA H 4.233 0.020 1 1229 122 124 CYS HB2 H 3.844 0.020 1 1230 122 124 CYS HB3 H 2.976 0.020 1 1231 122 124 CYS CA C 60.230 0.100 1 1232 122 124 CYS CB C 30.602 0.100 1 1233 122 124 CYS N N 123.931 0.100 1 1234 123 125 ARG H H 7.677 0.020 1 1235 123 125 ARG HA H 4.150 0.020 1 1236 123 125 ARG HB2 H 1.959 0.020 1 1237 123 125 ARG HB3 H 1.959 0.020 1 1238 123 125 ARG CA C 53.177 0.100 1 1239 123 125 ARG CB C 27.961 0.100 1 1240 123 125 ARG N N 119.561 0.100 1 1241 124 126 VAL H H 7.578 0.020 1 1242 124 126 VAL HA H 4.081 0.020 1 1243 124 126 VAL HB H 2.025 0.020 1 1244 124 126 VAL HG1 H 0.989 0.020 2 1245 124 126 VAL HG2 H 0.949 0.020 2 1246 124 126 VAL CA C 60.647 0.100 1 1247 124 126 VAL CB C 32.857 0.100 1 1248 124 126 VAL CG1 C 20.589 0.100 2 1249 124 126 VAL CG2 C 22.336 0.100 2 1250 124 126 VAL N N 122.794 0.100 1 1251 125 127 PRO HA H 4.263 0.020 1 1252 125 127 PRO HB2 H 1.844 0.020 2 1253 125 127 PRO HB3 H 2.437 0.020 2 1254 125 127 PRO HG2 H 1.895 0.020 2 1255 125 127 PRO HG3 H 2.141 0.020 2 1256 125 127 PRO HD2 H 3.589 0.020 2 1257 125 127 PRO HD3 H 4.052 0.020 2 1258 125 127 PRO CA C 63.268 0.100 1 1259 125 127 PRO CB C 32.379 0.100 1 1260 125 127 PRO CG C 28.333 0.100 1 1261 125 127 PRO CD C 51.088 0.100 1 1262 126 128 ARG H H 9.534 0.020 1 1263 126 128 ARG HA H 3.912 0.020 1 1264 126 128 ARG HB2 H 1.952 0.020 2 1265 126 128 ARG HB3 H 2.080 0.020 2 1266 126 128 ARG HD2 H 3.330 0.020 1 1267 126 128 ARG HD3 H 3.330 0.020 1 1268 126 128 ARG CA C 59.653 0.100 1 1269 126 128 ARG CB C 29.339 0.100 1 1270 126 128 ARG CD C 43.057 0.100 1 1271 126 128 ARG N N 128.350 0.100 1 1272 127 129 ALA H H 9.263 0.020 1 1273 127 129 ALA HA H 4.192 0.020 1 1274 127 129 ALA HB H 1.451 0.020 1 1275 127 129 ALA CA C 55.227 0.100 1 1276 127 129 ALA CB C 18.363 0.100 1 1277 127 129 ALA N N 119.169 0.100 1 1278 128 130 GLN H H 7.448 0.020 1 1279 128 130 GLN HA H 4.209 0.020 1 1280 128 130 GLN HB2 H 2.134 0.020 1 1281 128 130 GLN HB3 H 2.134 0.020 1 1282 128 130 GLN HG2 H 2.295 0.020 2 1283 128 130 GLN HG3 H 2.444 0.020 2 1284 128 130 GLN HE21 H 6.786 0.020 2 1285 128 130 GLN HE22 H 7.711 0.020 2 1286 128 130 GLN CA C 58.506 0.100 1 1287 128 130 GLN CB C 28.220 0.100 1 1288 128 130 GLN CG C 33.743 0.100 1 1289 128 130 GLN N N 117.345 0.100 1 1290 128 130 GLN NE2 N 111.737 0.100 1 1291 129 131 LEU H H 7.622 0.020 1 1292 129 131 LEU HA H 4.088 0.020 1 1293 129 131 LEU HB2 H 2.036 0.020 1 1294 129 131 LEU HB3 H 1.588 0.020 1 1295 129 131 LEU HG H 1.628 0.020 1 1296 129 131 LEU HD1 H 0.855 0.020 2 1297 129 131 LEU HD2 H 0.929 0.020 2 1298 129 131 LEU CA C 57.952 0.100 1 1299 129 131 LEU CB C 41.817 0.100 1 1300 129 131 LEU CG C 26.149 0.100 1 1301 129 131 LEU CD1 C 23.003 0.100 2 1302 129 131 LEU CD2 C 26.000 0.100 2 1303 129 131 LEU N N 120.561 0.100 1 1304 130 132 GLU H H 8.656 0.020 1 1305 130 132 GLU HA H 3.956 0.020 1 1306 130 132 GLU HB2 H 2.141 0.020 1 1307 130 132 GLU HB3 H 2.141 0.020 1 1308 130 132 GLU HG2 H 2.307 0.020 2 1309 130 132 GLU HG3 H 2.500 0.020 2 1310 130 132 GLU CA C 59.353 0.100 1 1311 130 132 GLU CB C 29.337 0.100 1 1312 130 132 GLU CG C 36.659 0.100 1 1313 130 132 GLU N N 119.122 0.100 1 1314 131 133 GLU H H 7.922 0.020 1 1315 131 133 GLU HA H 4.163 0.020 1 1316 131 133 GLU HB2 H 2.105 0.020 2 1317 131 133 GLU HB3 H 2.222 0.020 2 1318 131 133 GLU HG2 H 2.335 0.020 1 1319 131 133 GLU HG3 H 2.335 0.020 1 1320 131 133 GLU CA C 59.288 0.100 1 1321 131 133 GLU CB C 29.422 0.100 1 1322 131 133 GLU CG C 35.808 0.100 1 1323 131 133 GLU N N 121.469 0.100 1 1324 132 134 GLU H H 8.099 0.020 1 1325 132 134 GLU HA H 3.998 0.020 1 1326 132 134 GLU HB2 H 2.094 0.020 1 1327 132 134 GLU HB3 H 2.094 0.020 1 1328 132 134 GLU HG2 H 2.284 0.020 2 1329 132 134 GLU HG3 H 2.445 0.020 2 1330 132 134 GLU CA C 59.327 0.100 1 1331 132 134 GLU CB C 29.421 0.100 1 1332 132 134 GLU CG C 36.467 0.100 1 1333 132 134 GLU N N 119.241 0.100 1 1334 133 135 ALA H H 7.795 0.020 1 1335 133 135 ALA HA H 4.053 0.020 1 1336 133 135 ALA HB H 1.355 0.020 1 1337 133 135 ALA CA C 54.973 0.100 1 1338 133 135 ALA CB C 18.154 0.100 1 1339 133 135 ALA N N 121.302 0.100 1 1340 134 136 ARG H H 8.145 0.020 1 1341 134 136 ARG HA H 4.143 0.020 1 1342 134 136 ARG HB2 H 1.981 0.020 2 1343 134 136 ARG HB3 H 2.035 0.020 2 1344 134 136 ARG HD2 H 3.283 0.020 1 1345 134 136 ARG HD3 H 3.283 0.020 1 1346 134 136 ARG CA C 59.438 0.100 1 1347 134 136 ARG CB C 30.148 0.100 1 1348 134 136 ARG CD C 43.422 0.100 1 1349 134 136 ARG N N 118.757 0.100 1 1350 135 137 LYS H H 8.036 0.020 1 1351 135 137 LYS HA H 4.073 0.020 1 1352 135 137 LYS HB2 H 1.963 0.020 1 1353 135 137 LYS HB3 H 1.963 0.020 1 1354 135 137 LYS HG2 H 1.493 0.020 2 1355 135 137 LYS HG3 H 1.688 0.020 2 1356 135 137 LYS HE2 H 2.977 0.020 1 1357 135 137 LYS HE3 H 2.977 0.020 1 1358 135 137 LYS CA C 59.327 0.100 1 1359 135 137 LYS CB C 32.539 0.100 1 1360 135 137 LYS CG C 25.623 0.100 1 1361 135 137 LYS CE C 42.096 0.100 1 1362 135 137 LYS N N 119.496 0.100 1 1363 136 138 LYS H H 7.682 0.020 1 1364 136 138 LYS HA H 4.362 0.020 1 1365 136 138 LYS HB2 H 1.882 0.020 2 1366 136 138 LYS HB3 H 2.002 0.020 2 1367 136 138 LYS HG2 H 1.494 0.020 2 1368 136 138 LYS HG3 H 1.628 0.020 2 1369 136 138 LYS HE2 H 2.982 0.020 1 1370 136 138 LYS HE3 H 2.982 0.020 1 1371 136 138 LYS CA C 56.575 0.100 1 1372 136 138 LYS CB C 33.629 0.100 1 1373 136 138 LYS CG C 25.519 0.100 1 1374 136 138 LYS CE C 42.207 0.100 1 1375 136 138 LYS N N 116.645 0.100 1 1376 137 139 GLY H H 8.064 0.020 1 1377 137 139 GLY HA2 H 3.960 0.020 2 1378 137 139 GLY HA3 H 4.093 0.020 2 1379 137 139 GLY CA C 46.358 0.100 1 1380 137 139 GLY N N 109.349 0.100 1 1381 138 140 THR H H 8.111 0.020 1 1382 138 140 THR HA H 4.735 0.020 1 1383 138 140 THR HB H 4.211 0.020 1 1384 138 140 THR HG2 H 1.155 0.020 1 1385 138 140 THR CA C 59.308 0.100 1 1386 138 140 THR CB C 70.755 0.100 1 1387 138 140 THR CG2 C 20.543 0.100 1 1388 138 140 THR N N 112.870 0.100 1 1389 139 141 GLN H H 8.227 0.020 1 1390 139 141 GLN HA H 4.609 0.020 1 1391 139 141 GLN HB2 H 1.911 0.020 1 1392 139 141 GLN HB3 H 2.102 0.020 1 1393 139 141 GLN HG2 H 2.366 0.020 1 1394 139 141 GLN HG3 H 2.366 0.020 1 1395 139 141 GLN HE21 H 6.874 0.020 2 1396 139 141 GLN HE22 H 7.558 0.020 2 1397 139 141 GLN CA C 54.435 0.100 1 1398 139 141 GLN CB C 30.777 0.100 1 1399 139 141 GLN CG C 33.918 0.100 1 1400 139 141 GLN N N 118.177 0.100 1 1401 139 141 GLN NE2 N 112.824 0.100 1 1402 140 142 VAL H H 8.839 0.020 1 1403 140 142 VAL HA H 3.790 0.020 1 1404 140 142 VAL HB H 2.144 0.020 1 1405 140 142 VAL HG1 H 1.043 0.020 2 1406 140 142 VAL HG2 H 0.935 0.020 2 1407 140 142 VAL CA C 63.934 0.100 1 1408 140 142 VAL CB C 32.154 0.100 1 1409 140 142 VAL CG1 C 21.912 0.100 2 1410 140 142 VAL CG2 C 22.969 0.100 2 1411 140 142 VAL N N 123.601 0.100 1 1412 141 143 SER HA H 4.524 0.020 1 1413 141 143 SER HB2 H 3.794 0.020 2 1414 141 143 SER HB3 H 3.944 0.020 2 1415 141 143 SER CA C 57.841 0.100 1 1416 141 143 SER CB C 64.174 0.100 1 1417 142 144 PHE H H 7.534 0.020 1 1418 142 144 PHE HA H 4.458 0.020 1 1419 142 144 PHE HB2 H 2.610 0.020 1 1420 142 144 PHE HB3 H 3.190 0.020 1 1421 142 144 PHE HD1 H 7.060 0.020 1 1422 142 144 PHE HD2 H 7.060 0.020 1 1423 142 144 PHE HE1 H 6.891 0.020 1 1424 142 144 PHE HE2 H 6.891 0.020 1 1425 142 144 PHE HZ H 7.114 0.020 1 1426 142 144 PHE CA C 58.673 0.100 1 1427 142 144 PHE CB C 40.055 0.100 1 1428 142 144 PHE CD1 C 132.069 0.100 1 1429 142 144 PHE CD2 C 132.069 0.100 1 1430 142 144 PHE CE1 C 130.898 0.100 1 1431 142 144 PHE CE2 C 130.898 0.100 1 1432 142 144 PHE CZ C 128.952 0.100 1 1433 142 144 PHE N N 123.726 0.100 1 1434 143 145 HIS H H 8.308 0.020 1 1435 143 145 HIS HA H 4.336 0.020 1 1436 143 145 HIS HB2 H 2.880 0.020 2 1437 143 145 HIS HB3 H 2.999 0.020 2 1438 143 145 HIS HD2 H 6.997 0.020 1 1439 143 145 HIS HE1 H 7.939 0.020 1 1440 143 145 HIS CA C 56.837 0.100 1 1441 143 145 HIS CB C 31.949 0.100 1 1442 143 145 HIS CD2 C 120.415 0.100 1 1443 143 145 HIS CE1 C 137.908 0.100 1 1444 143 145 HIS N N 126.548 0.100 1 1445 144 146 GLN H H 7.203 0.020 1 1446 144 146 GLN HA H 4.433 0.020 1 1447 144 146 GLN HB2 H 1.243 0.020 2 1448 144 146 GLN HB3 H 1.441 0.020 2 1449 144 146 GLN HG2 H 1.657 0.020 2 1450 144 146 GLN HG3 H 1.862 0.020 2 1451 144 146 GLN HE21 H 7.080 0.020 2 1452 144 146 GLN HE22 H 7.673 0.020 2 1453 144 146 GLN CA C 54.210 0.100 1 1454 144 146 GLN CB C 32.925 0.100 1 1455 144 146 GLN CG C 35.009 0.100 1 1456 144 146 GLN N N 115.094 0.100 1 1457 144 146 GLN NE2 N 113.061 0.100 1 1458 145 147 CYS H H 8.668 0.020 1 1459 145 147 CYS HA H 4.961 0.020 1 1460 145 147 CYS HB2 H 3.504 0.020 1 1461 145 147 CYS HB3 H 3.079 0.020 1 1462 145 147 CYS CA C 57.978 0.100 1 1463 145 147 CYS CB C 33.555 0.100 1 1464 145 147 CYS N N 123.088 0.100 1 1465 146 148 VAL H H 8.198 0.020 1 1466 146 148 VAL HA H 4.238 0.020 1 1467 146 148 VAL HB H 2.184 0.020 1 1468 146 148 VAL HG1 H 0.792 0.020 2 1469 146 148 VAL HG2 H 0.839 0.020 2 1470 146 148 VAL CA C 64.001 0.100 1 1471 146 148 VAL CB C 32.157 0.100 1 1472 146 148 VAL CG1 C 19.611 0.100 2 1473 146 148 VAL CG2 C 20.217 0.100 2 1474 146 148 VAL N N 113.265 0.100 1 1475 147 149 HIS H H 7.151 0.020 1 1476 147 149 HIS HA H 4.604 0.020 1 1477 147 149 HIS HB2 H 3.301 0.020 1 1478 147 149 HIS HB3 H 2.829 0.020 1 1479 147 149 HIS HD2 H 7.939 0.020 1 1480 147 149 HIS HE1 H 7.712 0.020 1 1481 147 149 HIS CA C 58.708 0.100 1 1482 147 149 HIS CB C 32.204 0.100 1 1483 147 149 HIS CD2 C 121.128 0.100 1 1484 147 149 HIS CE1 C 138.749 0.100 1 1485 147 149 HIS N N 120.556 0.100 1 1486 148 150 CYS H H 7.413 0.020 1 1487 148 150 CYS HA H 4.889 0.020 1 1488 148 150 CYS HB2 H 3.211 0.020 1 1489 148 150 CYS HB3 H 2.699 0.020 1 1490 148 150 CYS CA C 57.952 0.100 1 1491 148 150 CYS CB C 32.956 0.100 1 1492 148 150 CYS N N 112.110 0.100 1 1493 149 151 GLY H H 6.949 0.020 1 1494 149 151 GLY HA2 H 2.234 0.020 2 1495 149 151 GLY HA3 H 2.625 0.020 2 1496 149 151 GLY CA C 45.327 0.100 1 1497 149 151 GLY N N 112.797 0.100 1 1498 150 152 CYS H H 8.240 0.020 1 1499 150 152 CYS HA H 3.932 0.020 1 1500 150 152 CYS HB2 H 3.151 0.020 1 1501 150 152 CYS HB3 H 3.594 0.020 1 1502 150 152 CYS CA C 61.362 0.100 1 1503 150 152 CYS CB C 30.632 0.100 1 1504 150 152 CYS N N 127.277 0.100 1 1505 151 153 ARG H H 8.492 0.020 1 1506 151 153 ARG HA H 4.775 0.020 1 1507 151 153 ARG HB2 H 2.174 0.020 1 1508 151 153 ARG HB3 H 2.174 0.020 1 1509 151 153 ARG HD2 H 3.174 0.020 1 1510 151 153 ARG HD3 H 3.174 0.020 1 1511 151 153 ARG CA C 56.164 0.100 1 1512 151 153 ARG CB C 30.354 0.100 1 1513 151 153 ARG CD C 43.515 0.100 1 1514 151 153 ARG N N 125.476 0.100 1 1515 152 154 GLY H H 9.812 0.020 1 1516 152 154 GLY HA2 H 4.470 0.020 2 1517 152 154 GLY HA3 H 4.544 0.020 2 1518 152 154 GLY CA C 45.523 0.100 1 1519 152 154 GLY N N 117.275 0.100 1 1520 153 155 CYS H H 8.930 0.020 1 1521 153 155 CYS HA H 4.842 0.020 1 1522 153 155 CYS HB2 H 3.589 0.020 1 1523 153 155 CYS HB3 H 2.396 0.020 1 1524 153 155 CYS CA C 57.130 0.100 1 1525 153 155 CYS CB C 31.368 0.100 1 1526 153 155 CYS N N 126.187 0.100 1 1527 154 156 ALA H H 8.616 0.020 1 1528 154 156 ALA HA H 4.159 0.020 1 1529 154 156 ALA HB H 1.276 0.020 1 1530 154 156 ALA CA C 53.187 0.100 1 1531 154 156 ALA CB C 18.937 0.100 1 1532 154 156 ALA N N 125.869 0.100 1 1533 155 157 SER H H 9.358 0.020 1 1534 155 157 SER HA H 4.283 0.020 1 1535 155 157 SER HB2 H 3.975 0.020 1 1536 155 157 SER HB3 H 3.950 0.020 1 1537 155 157 SER CA C 60.136 0.100 1 1538 155 157 SER CB C 63.575 0.100 1 1539 155 157 SER N N 116.724 0.100 1 1540 156 158 THR H H 7.638 0.020 1 1541 156 158 THR HA H 4.358 0.020 1 1542 156 158 THR HB H 4.353 0.020 1 1543 156 158 THR HG2 H 1.192 0.020 1 1544 156 158 THR CA C 61.264 0.100 1 1545 156 158 THR CB C 69.999 0.100 1 1546 156 158 THR CG2 C 21.525 0.100 1 1547 156 158 THR N N 111.893 0.100 1 1548 157 159 ASP H H 7.734 0.020 1 1549 157 159 ASP HA H 4.487 0.020 1 1550 157 159 ASP HB2 H 2.523 0.020 1 1551 157 159 ASP HB3 H 2.756 0.020 1 1552 157 159 ASP CA C 56.127 0.100 1 1553 157 159 ASP CB C 42.287 0.100 1 1554 157 159 ASP N N 127.814 0.100 1 stop_ save_