data_36061 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ligand induced structure of AmyP-SBD ; _BMRB_accession_number 36061 _BMRB_flat_file_name bmr36061.str _Entry_type original _Submission_date 2017-02-17 _Accession_date 2017-04-19 _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 Li X. . . 2 Yu J. . . 3 Sun H. . . 4 Zhang X. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 798 "13C chemical shifts" 530 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-20 original BMRB . stop_ _Original_release_date 2017-04-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ligand binding induced folding of a novel CBM69 starch binding domain ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li X. . . 2 Yu J. . . 3 Tu X. . . 4 Sun H. . . 5 Peng H. . . 6 Zhang X. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AmyP-SBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17023.881 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; TPSASGLTKVATVSAASSLI GEGFMAQCDNPTIEGDGPIG KTLYVVGDFADASWKQKPHR AYRYVGENTYQAVVDEKAGA FRMQYASKDWSPQFTADGLE LTPGKTASLKRGGYGQDTAV TLPEAGQYVWSLKFTDSGDP EQIMVSKCPLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 THR 2 2 PRO 3 3 SER 4 4 ALA 5 5 SER 6 6 GLY 7 7 LEU 8 8 THR 9 9 LYS 10 10 VAL 11 11 ALA 12 12 THR 13 13 VAL 14 14 SER 15 15 ALA 16 16 ALA 17 17 SER 18 18 SER 19 19 LEU 20 20 ILE 21 21 GLY 22 22 GLU 23 23 GLY 24 24 PHE 25 25 MET 26 26 ALA 27 27 GLN 28 28 CYS 29 29 ASP 30 30 ASN 31 31 PRO 32 32 THR 33 33 ILE 34 34 GLU 35 35 GLY 36 36 ASP 37 37 GLY 38 38 PRO 39 39 ILE 40 40 GLY 41 41 LYS 42 42 THR 43 43 LEU 44 44 TYR 45 45 VAL 46 46 VAL 47 47 GLY 48 48 ASP 49 49 PHE 50 50 ALA 51 51 ASP 52 52 ALA 53 53 SER 54 54 TRP 55 55 LYS 56 56 GLN 57 57 LYS 58 58 PRO 59 59 HIS 60 60 ARG 61 61 ALA 62 62 TYR 63 63 ARG 64 64 TYR 65 65 VAL 66 66 GLY 67 67 GLU 68 68 ASN 69 69 THR 70 70 TYR 71 71 GLN 72 72 ALA 73 73 VAL 74 74 VAL 75 75 ASP 76 76 GLU 77 77 LYS 78 78 ALA 79 79 GLY 80 80 ALA 81 81 PHE 82 82 ARG 83 83 MET 84 84 GLN 85 85 TYR 86 86 ALA 87 87 SER 88 88 LYS 89 89 ASP 90 90 TRP 91 91 SER 92 92 PRO 93 93 GLN 94 94 PHE 95 95 THR 96 96 ALA 97 97 ASP 98 98 GLY 99 99 LEU 100 100 GLU 101 101 LEU 102 102 THR 103 103 PRO 104 104 GLY 105 105 LYS 106 106 THR 107 107 ALA 108 108 SER 109 109 LEU 110 110 LYS 111 111 ARG 112 112 GLY 113 113 GLY 114 114 TYR 115 115 GLY 116 116 GLN 117 117 ASP 118 118 THR 119 119 ALA 120 120 VAL 121 121 THR 122 122 LEU 123 123 PRO 124 124 GLU 125 125 ALA 126 126 GLY 127 127 GLN 128 128 TYR 129 129 VAL 130 130 TRP 131 131 SER 132 132 LEU 133 133 LYS 134 134 PHE 135 135 THR 136 136 ASP 137 137 SER 138 138 GLY 139 139 ASP 140 140 PRO 141 141 GLU 142 142 GLN 143 143 ILE 144 144 MET 145 145 VAL 146 146 SER 147 147 LYS 148 148 CYS 149 149 PRO 150 150 LEU 151 151 GLU 152 152 HIS 153 153 HIS 154 154 HIS 155 155 HIS 156 156 HIS 157 157 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_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 $entity_1 'uncultured bacterium' 77133 Bacteria . uncultured bacterium Amy-1E 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.4 mM [U-99% 15N] AmyP-SBD, 2 mM NA- beta-cyclodextrin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-99% 15N]' beta-cyclodextrin 2 mM 'natural abundance' NaH2PO4 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.4 mM [U-99% 13C; U-99% 15N] AmyP-SBD, 2 mM NA beta-cyclodextrin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-99% 13C; U-99% 15N]' beta-cyclodextrin 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.4 mM [U-99% 13C; U-99% 15N] AmyP-SBD, 2 mM NA beta-cyclodextrin, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-99% 13C; U-99% 15N]' beta-cyclodextrin 2 mM 'natural abundance' D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC(CO)NH' _Sample_label $sample_2 save_ save_3D_CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 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' 0.12 . M pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details water 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 water C 13 protons ppm 4.773 internal indirect . . . 0.25144953 water H 1 protons ppm 4.773 internal direct . . . 1.0 water N 15 protons ppm 4.773 internal indirect . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D CBCANH' '3D HBHA(CO)NH' '3D HCC(CO)NH' '3D CC(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-13C NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.422 0.004 1 2 2 2 PRO HB2 H 2.307 0.008 1 3 2 2 PRO HB3 H 1.926 0.000 1 4 2 2 PRO HG2 H 1.980 0.009 1 5 2 2 PRO HG3 H 1.980 0.009 1 6 2 2 PRO HD2 H 3.873 0.000 1 7 2 2 PRO HD3 H 3.758 0.009 1 8 2 2 PRO C C 176.901 0.000 1 9 2 2 PRO CA C 63.656 0.018 1 10 2 2 PRO CB C 32.254 0.068 1 11 2 2 PRO CG C 27.529 0.000 1 12 2 2 PRO CD C 51.165 0.241 1 13 3 3 SER H H 8.415 0.006 1 14 3 3 SER HA H 4.410 0.008 1 15 3 3 SER HB2 H 3.846 0.001 1 16 3 3 SER HB3 H 3.846 0.001 1 17 3 3 SER C C 174.297 0.000 1 18 3 3 SER CA C 58.339 0.164 1 19 3 3 SER CB C 64.198 0.135 1 20 3 3 SER N N 116.374 0.035 1 21 4 4 ALA H H 8.432 0.014 1 22 4 4 ALA HA H 4.351 0.014 1 23 4 4 ALA HB H 1.385 0.010 1 24 4 4 ALA C C 177.721 0.000 1 25 4 4 ALA CA C 52.622 0.078 1 26 4 4 ALA CB C 19.143 0.020 1 27 4 4 ALA N N 126.671 0.136 1 28 5 5 SER H H 8.165 0.005 1 29 5 5 SER HA H 4.445 0.000 1 30 5 5 SER HB2 H 3.852 0.000 1 31 5 5 SER HB3 H 3.852 0.000 1 32 5 5 SER C C 173.985 0.000 1 33 5 5 SER CA C 58.533 0.059 1 34 5 5 SER CB C 64.364 0.000 1 35 5 5 SER N N 114.758 0.062 1 36 6 6 GLY H H 7.950 0.007 1 37 6 6 GLY HA2 H 3.963 0.002 1 38 6 6 GLY HA3 H 3.963 0.002 1 39 6 6 GLY C C 174.076 0.000 1 40 6 6 GLY CA C 45.842 0.345 1 41 6 6 GLY N N 116.973 0.010 1 42 7 7 LEU H H 8.073 0.004 1 43 7 7 LEU HA H 4.388 0.006 1 44 7 7 LEU HB2 H 1.597 0.007 1 45 7 7 LEU HB3 H 1.597 0.007 1 46 7 7 LEU HD1 H 0.870 0.000 1 47 7 7 LEU HD2 H 0.870 0.000 1 48 7 7 LEU C C 177.535 0.000 1 49 7 7 LEU CA C 55.420 0.027 1 50 7 7 LEU CB C 42.517 0.017 1 51 7 7 LEU N N 121.312 0.014 1 52 8 8 THR H H 8.085 0.014 1 53 8 8 THR HA H 4.337 0.005 1 54 8 8 THR HB H 4.223 0.000 1 55 8 8 THR HG2 H 1.180 0.000 1 56 8 8 THR C C 173.545 0.000 1 57 8 8 THR CA C 61.990 0.108 1 58 8 8 THR CB C 70.111 0.103 1 59 8 8 THR CG2 C 21.618 0.000 1 60 8 8 THR N N 115.162 0.019 1 61 9 9 LYS H H 7.967 0.006 1 62 9 9 LYS CA C 57.838 0.083 1 63 9 9 LYS CB C 33.696 0.000 1 64 9 9 LYS N N 128.835 0.015 1 65 10 10 VAL HA H 4.066 0.001 1 66 10 10 VAL HB H 2.029 0.006 1 67 10 10 VAL HG1 H 0.915 0.000 1 68 10 10 VAL HG2 H 0.915 0.000 1 69 10 10 VAL C C 175.663 0.000 1 70 10 10 VAL CA C 62.351 0.068 1 71 10 10 VAL CB C 32.723 0.263 1 72 10 10 VAL CG1 C 21.149 0.000 1 73 10 10 VAL CG2 C 21.149 0.000 1 74 11 11 ALA H H 8.438 0.010 1 75 11 11 ALA HA H 4.420 0.019 1 76 11 11 ALA HB H 1.385 0.010 1 77 11 11 ALA C C 176.862 0.000 1 78 11 11 ALA CA C 52.745 0.134 1 79 11 11 ALA CB C 19.382 0.209 1 80 11 11 ALA N N 128.439 0.093 1 81 12 12 THR H H 7.751 0.005 1 82 12 12 THR HA H 4.298 0.000 1 83 12 12 THR HB H 3.619 0.000 1 84 12 12 THR CA C 63.280 0.000 1 85 12 12 THR CB C 70.871 0.000 1 86 12 12 THR N N 119.258 0.019 1 87 13 13 VAL H H 8.346 0.020 1 88 13 13 VAL HA H 4.202 0.012 1 89 13 13 VAL HB H 2.086 0.013 1 90 13 13 VAL HG1 H 0.950 0.015 1 91 13 13 VAL HG2 H 0.950 0.015 1 92 13 13 VAL C C 175.796 0.000 1 93 13 13 VAL CA C 62.318 0.143 1 94 13 13 VAL CB C 32.913 0.105 1 95 13 13 VAL CG1 C 21.062 0.000 1 96 13 13 VAL CG2 C 21.062 0.000 1 97 13 13 VAL N N 123.258 0.148 1 98 14 14 SER H H 8.498 0.026 1 99 14 14 SER HA H 4.432 0.000 1 100 14 14 SER HB2 H 3.837 0.003 1 101 14 14 SER HB3 H 3.837 0.003 1 102 14 14 SER CA C 58.173 0.000 1 103 14 14 SER CB C 63.811 0.209 1 104 14 14 SER N N 120.378 0.118 1 105 15 15 ALA HA H 4.317 0.017 1 106 15 15 ALA HB H 1.384 0.004 1 107 15 15 ALA C C 177.588 0.000 1 108 15 15 ALA CA C 52.633 0.138 1 109 15 15 ALA CB C 19.427 0.013 1 110 16 16 ALA H H 8.309 0.009 1 111 16 16 ALA HA H 4.285 0.013 1 112 16 16 ALA HB H 1.375 0.007 1 113 16 16 ALA C C 177.942 0.000 1 114 16 16 ALA CA C 52.838 0.187 1 115 16 16 ALA CB C 19.278 0.111 1 116 16 16 ALA N N 123.356 0.039 1 117 17 17 SER H H 8.208 0.006 1 118 17 17 SER HA H 4.397 0.003 1 119 17 17 SER HB2 H 3.837 0.011 1 120 17 17 SER HB3 H 3.837 0.011 1 121 17 17 SER C C 174.865 0.000 1 122 17 17 SER CA C 58.657 0.047 1 123 17 17 SER CB C 64.108 0.079 1 124 17 17 SER N N 114.785 0.032 1 125 18 18 SER H H 8.363 0.004 1 126 18 18 SER HA H 4.419 0.003 1 127 18 18 SER HB2 H 3.893 0.016 1 128 18 18 SER HB3 H 3.893 0.016 1 129 18 18 SER C C 174.443 0.000 1 130 18 18 SER CA C 58.720 0.040 1 131 18 18 SER CB C 63.971 0.209 1 132 18 18 SER N N 118.180 0.013 1 133 19 19 LEU H H 8.237 0.008 1 134 19 19 LEU HA H 4.203 0.014 1 135 19 19 LEU HB2 H 1.616 0.022 1 136 19 19 LEU HB3 H 1.616 0.022 1 137 19 19 LEU HG H 1.652 0.019 1 138 19 19 LEU HD1 H 0.882 0.012 1 139 19 19 LEU HD2 H 0.882 0.012 1 140 19 19 LEU C C 175.572 0.000 1 141 19 19 LEU CA C 55.389 0.103 1 142 19 19 LEU CB C 42.756 0.070 1 143 19 19 LEU CG C 25.681 0.000 1 144 19 19 LEU CD1 C 23.384 0.006 1 145 19 19 LEU CD2 C 23.384 0.006 1 146 19 19 LEU N N 121.757 0.037 1 147 20 20 ILE H H 7.570 0.004 1 148 20 20 ILE HA H 4.317 0.019 1 149 20 20 ILE HB H 1.699 0.012 1 150 20 20 ILE HG12 H 1.373 0.015 1 151 20 20 ILE HG13 H 1.036 0.009 1 152 20 20 ILE HG2 H 0.978 0.010 1 153 20 20 ILE HD1 H 0.760 0.006 1 154 20 20 ILE C C 177.041 0.000 1 155 20 20 ILE CA C 60.696 0.143 1 156 20 20 ILE CB C 39.124 0.068 1 157 20 20 ILE CG1 C 27.118 0.043 1 158 20 20 ILE CG2 C 17.025 0.091 1 159 20 20 ILE CD1 C 13.462 0.051 1 160 20 20 ILE N N 118.872 0.021 1 161 21 21 GLY H H 8.629 0.005 1 162 21 21 GLY HA2 H 4.411 0.005 1 163 21 21 GLY HA3 H 3.568 0.015 1 164 21 21 GLY C C 176.650 0.000 1 165 21 21 GLY CA C 44.663 0.119 1 166 21 21 GLY N N 113.349 0.040 1 167 22 22 GLU H H 8.091 0.008 1 168 22 22 GLU HA H 4.441 0.011 1 169 22 22 GLU HB2 H 1.949 0.013 1 170 22 22 GLU HB3 H 1.845 0.011 1 171 22 22 GLU HG2 H 2.185 0.012 1 172 22 22 GLU HG3 H 2.185 0.012 1 173 22 22 GLU C C 176.701 0.000 1 174 22 22 GLU CA C 55.215 0.164 1 175 22 22 GLU CB C 32.650 0.223 1 176 22 22 GLU CG C 36.185 0.024 1 177 22 22 GLU N N 117.664 0.044 1 178 23 23 GLY H H 8.505 0.007 1 179 23 23 GLY HA2 H 4.207 0.004 1 180 23 23 GLY HA3 H 3.821 0.008 1 181 23 23 GLY C C 175.602 0.000 1 182 23 23 GLY CA C 44.763 0.119 1 183 23 23 GLY N N 108.128 0.014 1 184 24 24 PHE H H 8.628 0.008 1 185 24 24 PHE HA H 4.135 0.018 1 186 24 24 PHE HB2 H 3.278 0.012 1 187 24 24 PHE HB3 H 2.805 0.013 1 188 24 24 PHE HD1 H 7.026 0.012 1 189 24 24 PHE HD2 H 7.026 0.012 1 190 24 24 PHE C C 178.766 0.000 1 191 24 24 PHE CA C 62.263 0.145 1 192 24 24 PHE CB C 40.624 0.068 1 193 24 24 PHE N N 123.286 0.050 1 194 25 25 MET H H 8.862 0.004 1 195 25 25 MET HA H 3.628 0.018 1 196 25 25 MET HB2 H 2.236 0.010 1 197 25 25 MET HB3 H 2.081 0.013 1 198 25 25 MET HG2 H 2.884 0.016 1 199 25 25 MET HG3 H 2.884 0.016 1 200 25 25 MET HE H 1.889 0.014 1 201 25 25 MET C C 174.916 0.000 1 202 25 25 MET CA C 58.456 0.123 1 203 25 25 MET CB C 33.933 0.051 1 204 25 25 MET CG C 33.948 0.038 1 205 25 25 MET CE C 16.562 0.000 1 206 25 25 MET N N 113.434 0.026 1 207 26 26 ALA H H 7.433 0.006 1 208 26 26 ALA HA H 4.020 0.005 1 209 26 26 ALA HB H 1.038 0.007 1 210 26 26 ALA C C 176.210 0.000 1 211 26 26 ALA CA C 51.113 0.111 1 212 26 26 ALA CB C 19.298 0.180 1 213 26 26 ALA N N 119.205 0.032 1 214 27 27 GLN H H 6.868 0.006 1 215 27 27 GLN HA H 4.089 0.012 1 216 27 27 GLN HB2 H 2.015 0.019 1 217 27 27 GLN HB3 H 1.835 0.011 1 218 27 27 GLN HG2 H 2.436 0.009 1 219 27 27 GLN HG3 H 2.436 0.009 1 220 27 27 GLN HE21 H 7.528 0.009 1 221 27 27 GLN HE22 H 6.953 0.005 1 222 27 27 GLN C C 177.085 0.000 1 223 27 27 GLN CA C 54.708 0.152 1 224 27 27 GLN CB C 28.147 0.085 1 225 27 27 GLN CG C 33.369 0.040 1 226 27 27 GLN N N 115.078 0.029 1 227 27 27 GLN NE2 N 114.381 0.029 1 228 28 28 CYS H H 9.059 0.005 1 229 28 28 CYS HA H 4.292 0.005 1 230 28 28 CYS HB2 H 3.299 0.006 1 231 28 28 CYS HB3 H 2.940 0.014 1 232 28 28 CYS C C 172.332 0.000 1 233 28 28 CYS CA C 56.599 0.131 1 234 28 28 CYS CB C 43.476 0.122 1 235 28 28 CYS N N 117.658 0.047 1 236 29 29 ASP H H 7.846 0.005 1 237 29 29 ASP HA H 4.507 0.002 1 238 29 29 ASP HB2 H 2.818 0.005 1 239 29 29 ASP HB3 H 2.271 0.005 1 240 29 29 ASP C C 176.730 0.000 1 241 29 29 ASP CA C 52.118 0.097 1 242 29 29 ASP CB C 40.455 0.035 1 243 29 29 ASP N N 118.450 0.048 1 244 30 30 ASN H H 8.381 0.005 1 245 30 30 ASN HA H 4.728 0.011 1 246 30 30 ASN HB2 H 2.372 0.026 1 247 30 30 ASN HB3 H 2.372 0.026 1 248 30 30 ASN HD21 H 7.606 0.001 1 249 30 30 ASN HD22 H 6.995 0.002 1 250 30 30 ASN CA C 52.145 0.000 1 251 30 30 ASN CB C 36.426 0.000 1 252 30 30 ASN N N 120.679 0.042 1 253 30 30 ASN ND2 N 116.097 0.054 1 254 31 31 PRO HA H 4.403 0.027 1 255 31 31 PRO HB2 H 2.230 0.013 1 256 31 31 PRO HB3 H 1.868 0.017 1 257 31 31 PRO HG2 H 2.009 0.003 1 258 31 31 PRO HG3 H 1.966 0.005 1 259 31 31 PRO HD2 H 3.913 0.016 1 260 31 31 PRO HD3 H 3.709 0.006 1 261 31 31 PRO C C 176.126 0.000 1 262 31 31 PRO CA C 62.227 0.113 1 263 31 31 PRO CB C 32.250 0.089 1 264 31 31 PRO CG C 27.301 0.041 1 265 31 31 PRO CD C 50.916 0.132 1 266 32 32 THR H H 8.515 0.003 1 267 32 32 THR HA H 4.184 0.006 1 268 32 32 THR HB H 3.990 0.005 1 269 32 32 THR HG1 H 5.702 0.000 1 270 32 32 THR HG2 H 1.329 0.006 1 271 32 32 THR C C 174.164 0.000 1 272 32 32 THR CA C 63.191 0.177 1 273 32 32 THR CB C 69.588 0.179 1 274 32 32 THR CG2 C 22.982 0.075 1 275 32 32 THR N N 117.818 0.023 1 276 33 33 ILE H H 8.592 0.012 1 277 33 33 ILE HA H 4.330 0.013 1 278 33 33 ILE HB H 1.438 0.011 1 279 33 33 ILE HG12 H 1.114 0.019 1 280 33 33 ILE HG13 H 1.114 0.019 1 281 33 33 ILE HG2 H 0.939 0.015 1 282 33 33 ILE HD1 H 0.627 0.017 1 283 33 33 ILE C C 174.892 0.000 1 284 33 33 ILE CA C 57.460 0.138 1 285 33 33 ILE CB C 38.134 0.055 1 286 33 33 ILE CG1 C 26.989 0.029 1 287 33 33 ILE CG2 C 17.064 0.104 1 288 33 33 ILE CD1 C 9.897 0.175 1 289 33 33 ILE N N 130.334 0.026 1 290 34 34 GLU H H 8.402 0.008 1 291 34 34 GLU HA H 4.126 0.009 1 292 34 34 GLU HB2 H 2.001 0.013 1 293 34 34 GLU HB3 H 2.001 0.013 1 294 34 34 GLU HG2 H 2.291 0.006 1 295 34 34 GLU HG3 H 2.291 0.006 1 296 34 34 GLU C C 176.304 0.000 1 297 34 34 GLU CA C 57.696 0.155 1 298 34 34 GLU CB C 30.095 0.063 1 299 34 34 GLU CG C 36.311 0.023 1 300 34 34 GLU N N 125.080 0.054 1 301 35 35 GLY H H 8.247 0.007 1 302 35 35 GLY HA2 H 4.330 0.010 1 303 35 35 GLY HA3 H 3.759 0.008 1 304 35 35 GLY C C 173.307 0.000 1 305 35 35 GLY CA C 44.117 0.137 1 306 35 35 GLY N N 110.441 0.041 1 307 36 36 ASP H H 8.217 0.007 1 308 36 36 ASP HA H 4.595 0.007 1 309 36 36 ASP HB2 H 2.605 0.009 1 310 36 36 ASP HB3 H 2.382 0.004 1 311 36 36 ASP C C 177.488 0.000 1 312 36 36 ASP CA C 55.159 0.049 1 313 36 36 ASP CB C 42.026 0.042 1 314 36 36 ASP N N 116.002 0.011 1 315 37 37 GLY H H 7.998 0.007 1 316 37 37 GLY HA2 H 3.467 0.014 1 317 37 37 GLY HA3 H 3.467 0.014 1 318 37 37 GLY CA C 43.501 0.042 1 319 37 37 GLY N N 109.145 0.021 1 320 38 38 PRO HA H 4.197 0.007 1 321 38 38 PRO HB2 H 2.288 0.011 1 322 38 38 PRO HB3 H 1.498 0.009 1 323 38 38 PRO HD2 H 3.889 0.000 1 324 38 38 PRO HD3 H 3.889 0.000 1 325 38 38 PRO C C 176.473 0.000 1 326 38 38 PRO CA C 64.192 0.167 1 327 38 38 PRO CB C 32.563 0.167 1 328 38 38 PRO CG C 27.362 0.000 1 329 39 39 ILE H H 7.451 0.004 1 330 39 39 ILE HA H 3.286 0.000 1 331 39 39 ILE HB H 1.556 0.000 1 332 39 39 ILE HG12 H 1.306 0.012 1 333 39 39 ILE HG13 H 1.306 0.012 1 334 39 39 ILE HG2 H 0.660 0.002 1 335 39 39 ILE HD1 H 0.464 0.026 1 336 39 39 ILE CA C 58.777 0.000 1 337 39 39 ILE N N 117.807 0.035 1 338 40 40 GLY H H 6.107 0.000 1 339 40 40 GLY HA2 H 3.723 0.004 1 340 40 40 GLY HA3 H 3.723 0.004 1 341 40 40 GLY C C 173.303 0.000 1 342 40 40 GLY CA C 46.396 0.056 1 343 40 40 GLY N N 107.312 0.024 1 344 41 41 LYS H H 6.947 0.007 1 345 41 41 LYS HA H 4.500 0.024 1 346 41 41 LYS HB2 H 1.904 0.022 1 347 41 41 LYS HB3 H 1.904 0.022 1 348 41 41 LYS HG2 H 1.351 0.025 1 349 41 41 LYS HG3 H 1.351 0.025 1 350 41 41 LYS HD2 H 1.836 0.017 1 351 41 41 LYS HD3 H 1.836 0.017 1 352 41 41 LYS HE2 H 2.999 0.013 1 353 41 41 LYS HE3 H 2.999 0.013 1 354 41 41 LYS HZ H 7.699 0.000 1 355 41 41 LYS C C 175.321 0.000 1 356 41 41 LYS CA C 54.958 0.262 1 357 41 41 LYS CB C 36.797 0.046 1 358 41 41 LYS CG C 24.905 0.000 1 359 41 41 LYS CD C 30.120 0.032 1 360 41 41 LYS CE C 42.167 0.000 1 361 41 41 LYS N N 117.465 0.022 1 362 42 42 THR H H 8.230 0.006 1 363 42 42 THR HA H 4.086 0.009 1 364 42 42 THR HB H 3.832 0.005 1 365 42 42 THR HG1 H 5.196 0.000 1 366 42 42 THR HG2 H 0.900 0.008 1 367 42 42 THR C C 173.798 0.000 1 368 42 42 THR CA C 64.139 0.085 1 369 42 42 THR CB C 69.450 0.254 1 370 42 42 THR CG2 C 21.989 0.153 1 371 42 42 THR N N 117.936 0.055 1 372 43 43 LEU H H 9.143 0.008 1 373 43 43 LEU HA H 4.389 0.008 1 374 43 43 LEU HB2 H 1.295 0.029 1 375 43 43 LEU HB3 H 0.750 0.027 1 376 43 43 LEU HG H 0.007 0.000 1 377 43 43 LEU HD1 H 0.537 0.012 1 378 43 43 LEU HD2 H 0.040 0.032 1 379 43 43 LEU C C 175.188 0.000 1 380 43 43 LEU CA C 52.934 0.130 1 381 43 43 LEU CB C 45.379 0.107 1 382 43 43 LEU CG C 25.390 0.141 1 383 43 43 LEU CD1 C 22.764 0.126 1 384 43 43 LEU CD2 C 26.047 0.107 1 385 43 43 LEU N N 127.738 0.065 1 386 44 44 TYR H H 8.556 0.008 1 387 44 44 TYR HA H 5.214 0.012 1 388 44 44 TYR HB2 H 2.401 0.009 1 389 44 44 TYR HB3 H 2.401 0.009 1 390 44 44 TYR HD1 H 7.124 0.001 1 391 44 44 TYR HD2 H 7.124 0.001 1 392 44 44 TYR HE1 H 6.452 0.008 1 393 44 44 TYR HE2 H 6.452 0.008 1 394 44 44 TYR HH H 9.514 0.000 1 395 44 44 TYR C C 175.932 0.000 1 396 44 44 TYR CA C 56.852 0.111 1 397 44 44 TYR CB C 42.034 0.078 1 398 44 44 TYR N N 116.389 0.035 1 399 45 45 VAL H H 8.334 0.012 1 400 45 45 VAL HA H 4.131 0.010 1 401 45 45 VAL HB H 1.561 0.020 1 402 45 45 VAL HG1 H 0.286 0.019 1 403 45 45 VAL HG2 H -0.012 0.011 1 404 45 45 VAL C C 174.378 0.000 1 405 45 45 VAL CA C 62.871 0.034 1 406 45 45 VAL CB C 31.426 0.143 1 407 45 45 VAL CG1 C 19.972 0.067 1 408 45 45 VAL CG2 C 21.366 0.070 1 409 45 45 VAL N N 122.794 0.106 1 410 46 46 VAL H H 8.459 0.009 1 411 46 46 VAL HA H 4.202 0.013 1 412 46 46 VAL HB H 1.508 0.013 1 413 46 46 VAL HG1 H 0.658 0.008 1 414 46 46 VAL HG2 H 0.682 0.009 1 415 46 46 VAL C C 171.489 0.000 1 416 46 46 VAL CA C 59.901 0.134 1 417 46 46 VAL CB C 34.168 0.191 1 418 46 46 VAL CG1 C 21.839 0.071 1 419 46 46 VAL CG2 C 19.977 0.131 1 420 46 46 VAL N N 127.133 0.063 1 421 47 47 GLY H H 6.628 0.015 1 422 47 47 GLY HA2 H 3.448 0.013 1 423 47 47 GLY HA3 H 2.302 0.009 1 424 47 47 GLY C C 173.182 0.000 1 425 47 47 GLY CA C 45.040 0.131 1 426 47 47 GLY N N 110.395 0.053 1 427 48 48 ASP H H 8.026 0.006 1 428 48 48 ASP HA H 3.788 0.021 1 429 48 48 ASP HB2 H 3.044 0.007 1 430 48 48 ASP HB3 H 2.334 0.010 1 431 48 48 ASP C C 175.572 0.000 1 432 48 48 ASP CA C 53.769 0.087 1 433 48 48 ASP CB C 38.320 0.052 1 434 48 48 ASP N N 122.126 0.028 1 435 49 49 PHE H H 6.384 0.021 1 436 49 49 PHE HA H 4.161 0.005 1 437 49 49 PHE HB2 H 3.203 0.008 1 438 49 49 PHE HB3 H 2.326 0.008 1 439 49 49 PHE HE1 H 7.392 0.000 1 440 49 49 PHE HE2 H 7.392 0.000 1 441 49 49 PHE C C 177.910 0.000 1 442 49 49 PHE CA C 56.782 0.139 1 443 49 49 PHE CB C 39.855 0.065 1 444 49 49 PHE N N 117.274 0.015 1 445 50 50 ALA H H 8.840 0.005 1 446 50 50 ALA HA H 4.188 0.010 1 447 50 50 ALA HB H 1.564 0.007 1 448 50 50 ALA C C 178.379 0.000 1 449 50 50 ALA CA C 55.348 0.145 1 450 50 50 ALA CB C 18.193 0.109 1 451 50 50 ALA N N 127.398 0.027 1 452 51 51 ASP H H 8.031 0.004 1 453 51 51 ASP HA H 4.535 0.005 1 454 51 51 ASP HB2 H 2.917 0.010 1 455 51 51 ASP HB3 H 2.558 0.016 1 456 51 51 ASP C C 175.290 0.000 1 457 51 51 ASP CA C 53.323 0.120 1 458 51 51 ASP CB C 41.455 0.133 1 459 51 51 ASP N N 110.805 0.012 1 460 52 52 ALA H H 7.509 0.007 1 461 52 52 ALA HA H 4.588 0.013 1 462 52 52 ALA HB H 1.581 0.015 1 463 52 52 ALA C C 176.866 0.000 1 464 52 52 ALA CA C 53.367 0.094 1 465 52 52 ALA CB C 20.743 0.065 1 466 52 52 ALA N N 120.361 0.030 1 467 53 53 SER H H 8.741 0.008 1 468 53 53 SER HA H 4.170 0.009 1 469 53 53 SER HB2 H 4.056 0.009 1 470 53 53 SER HB3 H 3.829 0.013 1 471 53 53 SER C C 173.712 0.000 1 472 53 53 SER CA C 59.018 0.116 1 473 53 53 SER CB C 61.815 0.197 1 474 53 53 SER N N 114.336 0.037 1 475 54 54 TRP H H 8.500 0.005 1 476 54 54 TRP HA H 3.710 0.010 1 477 54 54 TRP HB2 H 3.700 0.002 1 478 54 54 TRP HB3 H 3.355 0.011 1 479 54 54 TRP HD1 H 7.157 0.000 1 480 54 54 TRP HE1 H 10.410 0.005 1 481 54 54 TRP C C 173.389 0.000 1 482 54 54 TRP CA C 59.514 0.124 1 483 54 54 TRP CB C 25.966 0.118 1 484 54 54 TRP N N 112.141 0.051 1 485 54 54 TRP NE1 N 128.405 0.026 1 486 55 55 LYS H H 7.536 0.004 1 487 55 55 LYS HA H 4.580 0.019 1 488 55 55 LYS HB2 H 1.791 0.013 1 489 55 55 LYS HB3 H 1.725 0.008 1 490 55 55 LYS HG2 H 1.539 0.008 1 491 55 55 LYS HG3 H 1.539 0.008 1 492 55 55 LYS HD2 H 1.385 0.003 1 493 55 55 LYS HD3 H 1.385 0.003 1 494 55 55 LYS HE2 H 3.047 0.023 1 495 55 55 LYS HE3 H 3.047 0.023 1 496 55 55 LYS C C 177.557 0.000 1 497 55 55 LYS CA C 54.537 0.162 1 498 55 55 LYS CB C 35.170 0.033 1 499 55 55 LYS CG C 24.602 0.028 1 500 55 55 LYS CD C 28.647 0.000 1 501 55 55 LYS CE C 42.424 0.000 1 502 55 55 LYS N N 115.585 0.030 1 503 56 56 GLN H H 8.359 0.008 1 504 56 56 GLN HA H 4.577 0.000 1 505 56 56 GLN HB2 H 1.332 0.007 1 506 56 56 GLN HB3 H 1.332 0.007 1 507 56 56 GLN HG2 H 1.586 0.007 1 508 56 56 GLN HG3 H 1.327 0.004 1 509 56 56 GLN HE21 H 6.967 0.007 1 510 56 56 GLN HE22 H 6.967 0.007 1 511 56 56 GLN C C 174.488 0.000 1 512 56 56 GLN CA C 57.956 0.151 1 513 56 56 GLN CG C 34.318 0.066 1 514 56 56 GLN CD C 180.007 0.000 1 515 56 56 GLN N N 123.325 0.045 1 516 56 56 GLN NE2 N 113.873 0.039 1 517 57 57 LYS H H 8.154 0.012 1 518 57 57 LYS HA H 3.617 0.000 1 519 57 57 LYS HB2 H 1.734 0.000 1 520 57 57 LYS HB3 H 1.734 0.000 1 521 57 57 LYS N N 125.379 0.032 1 522 58 58 PRO HA H 4.431 0.009 1 523 58 58 PRO HB2 H 2.559 0.004 1 524 58 58 PRO HB3 H 2.208 0.010 1 525 58 58 PRO HG2 H 2.331 0.004 1 526 58 58 PRO HG3 H 2.233 0.010 1 527 58 58 PRO HD2 H 3.976 0.022 1 528 58 58 PRO HD3 H 3.976 0.022 1 529 58 58 PRO C C 178.505 0.000 1 530 58 58 PRO CA C 66.053 0.113 1 531 58 58 PRO CB C 32.350 0.041 1 532 58 58 PRO CG C 27.617 0.066 1 533 58 58 PRO CD C 50.883 0.000 1 534 59 59 HIS H H 8.045 0.007 1 535 59 59 HIS HA H 4.708 0.017 1 536 59 59 HIS HB2 H 3.288 0.008 1 537 59 59 HIS HB3 H 3.016 0.010 1 538 59 59 HIS C C 175.840 0.000 1 539 59 59 HIS CA C 58.425 0.062 1 540 59 59 HIS CB C 29.086 0.049 1 541 59 59 HIS N N 112.701 0.042 1 542 60 60 ARG H H 7.553 0.006 1 543 60 60 ARG HA H 3.881 0.006 1 544 60 60 ARG HB2 H 1.380 0.010 1 545 60 60 ARG HB3 H 1.380 0.010 1 546 60 60 ARG HG2 H 0.772 0.004 1 547 60 60 ARG HG3 H 0.355 0.020 1 548 60 60 ARG HD2 H 2.689 0.024 1 549 60 60 ARG HD3 H 2.539 0.004 1 550 60 60 ARG HH21 H 6.455 0.004 1 551 60 60 ARG HH22 H 6.455 0.004 1 552 60 60 ARG C C 173.164 0.000 1 553 60 60 ARG CA C 55.645 0.124 1 554 60 60 ARG CB C 29.762 0.068 1 555 60 60 ARG CD C 42.171 0.089 1 556 60 60 ARG N N 121.236 0.054 1 557 61 61 ALA H H 6.926 0.006 1 558 61 61 ALA HA H 4.261 0.013 1 559 61 61 ALA HB H 1.050 0.008 1 560 61 61 ALA C C 177.956 0.000 1 561 61 61 ALA CA C 51.290 0.169 1 562 61 61 ALA CB C 19.445 0.081 1 563 61 61 ALA N N 120.060 0.038 1 564 62 62 TYR H H 8.684 0.007 1 565 62 62 TYR HA H 4.259 0.008 1 566 62 62 TYR HB2 H 2.925 0.026 1 567 62 62 TYR HB3 H 2.925 0.026 1 568 62 62 TYR HD1 H 6.594 0.000 1 569 62 62 TYR HD2 H 6.594 0.000 1 570 62 62 TYR HE1 H 6.456 0.007 1 571 62 62 TYR HE2 H 6.456 0.007 1 572 62 62 TYR HH H 10.003 0.000 1 573 62 62 TYR C C 177.324 0.000 1 574 62 62 TYR CA C 58.773 0.116 1 575 62 62 TYR CB C 40.250 0.035 1 576 62 62 TYR N N 119.289 0.029 1 577 63 63 ARG H H 9.322 0.009 1 578 63 63 ARG HA H 4.796 0.006 1 579 63 63 ARG HB2 H 1.868 0.022 1 580 63 63 ARG HB3 H 1.868 0.022 1 581 63 63 ARG HG2 H 1.721 0.021 1 582 63 63 ARG HG3 H 1.721 0.021 1 583 63 63 ARG HD2 H 3.232 0.009 1 584 63 63 ARG HD3 H 3.232 0.009 1 585 63 63 ARG HE H 7.281 0.005 1 586 63 63 ARG HH11 H 6.596 0.005 1 587 63 63 ARG HH12 H 6.596 0.005 1 588 63 63 ARG HH21 H 6.596 0.005 1 589 63 63 ARG HH22 H 6.596 0.005 1 590 63 63 ARG C C 175.496 0.000 1 591 63 63 ARG CA C 53.974 0.113 1 592 63 63 ARG CB C 31.535 0.052 1 593 63 63 ARG CG C 27.343 0.000 1 594 63 63 ARG CD C 43.202 0.034 1 595 63 63 ARG CZ C 159.511 0.000 1 596 63 63 ARG N N 121.763 0.031 1 597 63 63 ARG NE N 86.685 0.022 1 598 64 64 TYR H H 9.585 0.009 1 599 64 64 TYR HA H 4.473 0.004 1 600 64 64 TYR HB2 H 3.164 0.013 1 601 64 64 TYR HB3 H 2.806 0.006 1 602 64 64 TYR HD1 H 6.865 0.000 1 603 64 64 TYR HD2 H 6.638 0.010 1 604 64 64 TYR HH H 10.008 0.000 1 605 64 64 TYR C C 175.746 0.000 1 606 64 64 TYR CA C 58.375 0.089 1 607 64 64 TYR CB C 37.359 0.063 1 608 64 64 TYR N N 124.608 0.046 1 609 65 65 VAL H H 7.773 0.006 1 610 65 65 VAL HA H 4.257 0.017 1 611 65 65 VAL HB H 1.561 0.000 1 612 65 65 VAL HG1 H 0.713 0.013 1 613 65 65 VAL HG2 H 0.734 0.005 1 614 65 65 VAL CA C 60.284 0.000 1 615 65 65 VAL CG2 C 20.037 0.014 1 616 65 65 VAL N N 117.255 0.038 1 617 66 66 GLY H H 8.299 0.005 1 618 66 66 GLY HA2 H 4.167 0.022 1 619 66 66 GLY HA3 H 3.119 0.016 1 620 66 66 GLY C C 171.664 0.000 1 621 66 66 GLY CA C 44.397 0.050 1 622 66 66 GLY N N 109.157 0.028 1 623 67 67 GLU H H 8.632 0.007 1 624 67 67 GLU HA H 3.780 0.010 1 625 67 67 GLU HB2 H 1.913 0.010 1 626 67 67 GLU HB3 H 1.639 0.018 1 627 67 67 GLU HG2 H 1.847 0.018 1 628 67 67 GLU HG3 H 1.847 0.018 1 629 67 67 GLU C C 177.848 0.000 1 630 67 67 GLU CA C 56.627 0.126 1 631 67 67 GLU CB C 27.212 0.116 1 632 67 67 GLU CG C 35.955 0.040 1 633 67 67 GLU N N 112.701 0.067 1 634 68 68 ASN H H 8.389 0.003 1 635 68 68 ASN HA H 4.293 0.007 1 636 68 68 ASN HB2 H 3.353 0.013 1 637 68 68 ASN HB3 H 3.175 0.013 1 638 68 68 ASN HD21 H 7.540 0.005 1 639 68 68 ASN HD22 H 7.045 0.004 1 640 68 68 ASN C C 172.948 0.000 1 641 68 68 ASN CA C 55.535 0.121 1 642 68 68 ASN CB C 38.239 0.166 1 643 68 68 ASN N N 110.930 0.043 1 644 68 68 ASN ND2 N 112.679 0.060 1 645 69 69 THR H H 7.953 0.011 1 646 69 69 THR HA H 5.617 0.009 1 647 69 69 THR HB H 4.300 0.008 1 648 69 69 THR HG2 H 1.178 0.009 1 649 69 69 THR C C 170.916 0.000 1 650 69 69 THR CA C 62.700 0.115 1 651 69 69 THR CB C 70.164 0.123 1 652 69 69 THR CG2 C 20.295 0.018 1 653 69 69 THR N N 116.070 0.025 1 654 70 70 TYR H H 9.431 0.004 1 655 70 70 TYR HA H 5.612 0.013 1 656 70 70 TYR HB2 H 2.970 0.016 1 657 70 70 TYR HB3 H 2.522 0.007 1 658 70 70 TYR HD1 H 7.012 0.018 1 659 70 70 TYR HD2 H 7.012 0.018 1 660 70 70 TYR HE1 H 6.604 0.001 1 661 70 70 TYR HE2 H 6.604 0.001 1 662 70 70 TYR C C 176.240 0.000 1 663 70 70 TYR CA C 56.073 0.075 1 664 70 70 TYR CB C 42.140 0.037 1 665 70 70 TYR N N 123.802 0.015 1 666 71 71 GLN H H 9.668 0.010 1 667 71 71 GLN HA H 6.251 0.003 1 668 71 71 GLN HB2 H 2.054 0.018 1 669 71 71 GLN HB3 H 2.054 0.018 1 670 71 71 GLN HG2 H 2.688 0.015 1 671 71 71 GLN HG3 H 2.688 0.015 1 672 71 71 GLN HE21 H 7.013 0.012 1 673 71 71 GLN HE22 H 5.936 0.021 1 674 71 71 GLN C C 174.889 0.000 1 675 71 71 GLN CA C 55.259 0.088 1 676 71 71 GLN CB C 35.022 0.000 1 677 71 71 GLN N N 118.553 0.029 1 678 71 71 GLN NE2 N 114.218 0.027 1 679 72 72 ALA H H 9.448 0.008 1 680 72 72 ALA HA H 4.665 0.010 1 681 72 72 ALA HB H 0.436 0.009 1 682 72 72 ALA C C 175.284 0.000 1 683 72 72 ALA CA C 51.171 0.118 1 684 72 72 ALA CB C 20.314 0.040 1 685 72 72 ALA N N 127.201 0.032 1 686 73 73 VAL H H 8.816 0.006 1 687 73 73 VAL HA H 5.020 0.021 1 688 73 73 VAL HB H 2.047 0.012 1 689 73 73 VAL HG1 H 0.941 0.006 1 690 73 73 VAL HG2 H 0.848 0.015 1 691 73 73 VAL C C 176.211 0.000 1 692 73 73 VAL CA C 62.262 0.188 1 693 73 73 VAL CB C 31.254 0.132 1 694 73 73 VAL CG2 C 21.588 0.043 1 695 73 73 VAL N N 126.976 0.026 1 696 74 74 VAL H H 9.353 0.007 1 697 74 74 VAL HA H 4.364 0.022 1 698 74 74 VAL HB H 2.121 0.007 1 699 74 74 VAL HG1 H 0.743 0.012 1 700 74 74 VAL HG2 H 0.779 0.005 1 701 74 74 VAL C C 174.224 0.000 1 702 74 74 VAL CA C 61.822 0.317 1 703 74 74 VAL CB C 37.120 0.104 1 704 74 74 VAL CG1 C 21.717 0.046 1 705 74 74 VAL CG2 C 21.147 0.016 1 706 74 74 VAL N N 129.456 0.024 1 707 75 75 ASP H H 8.539 0.007 1 708 75 75 ASP HA H 4.633 0.013 1 709 75 75 ASP HB2 H 2.660 0.016 1 710 75 75 ASP HB3 H 2.506 0.011 1 711 75 75 ASP C C 174.524 0.000 1 712 75 75 ASP CA C 54.984 0.028 1 713 75 75 ASP CB C 40.707 0.066 1 714 75 75 ASP N N 126.247 0.156 1 715 76 76 GLU H H 8.936 0.005 1 716 76 76 GLU HA H 5.092 0.011 1 717 76 76 GLU HB2 H 1.938 0.004 1 718 76 76 GLU HB3 H 1.938 0.004 1 719 76 76 GLU HG2 H 2.529 0.005 1 720 76 76 GLU HG3 H 2.529 0.005 1 721 76 76 GLU C C 178.747 0.000 1 722 76 76 GLU CA C 54.941 0.043 1 723 76 76 GLU CB C 32.264 0.000 1 724 76 76 GLU N N 126.501 0.018 1 725 77 77 LYS H H 8.891 0.020 1 726 77 77 LYS HA H 4.545 0.009 1 727 77 77 LYS HB2 H 2.122 0.014 1 728 77 77 LYS HB3 H 1.767 0.021 1 729 77 77 LYS HG2 H 1.669 0.011 1 730 77 77 LYS HG3 H 1.669 0.011 1 731 77 77 LYS HD2 H 1.606 0.003 1 732 77 77 LYS HD3 H 1.606 0.003 1 733 77 77 LYS HE2 H 3.030 0.013 1 734 77 77 LYS HE3 H 3.030 0.013 1 735 77 77 LYS C C 175.536 0.000 1 736 77 77 LYS CA C 54.409 0.137 1 737 77 77 LYS CB C 34.023 0.096 1 738 77 77 LYS CG C 25.225 0.061 1 739 77 77 LYS CD C 28.579 0.000 1 740 77 77 LYS N N 122.537 0.093 1 741 78 78 ALA H H 7.956 0.004 1 742 78 78 ALA HA H 4.244 0.010 1 743 78 78 ALA HB H 1.194 0.010 1 744 78 78 ALA C C 178.290 0.000 1 745 78 78 ALA CA C 52.026 0.089 1 746 78 78 ALA CB C 19.246 0.107 1 747 78 78 ALA N N 118.677 0.034 1 748 79 79 GLY H H 8.673 0.008 1 749 79 79 GLY HA2 H 3.979 0.013 1 750 79 79 GLY HA3 H 3.567 0.009 1 751 79 79 GLY C C 169.298 0.000 1 752 79 79 GLY CA C 44.890 0.135 1 753 79 79 GLY N N 109.021 0.025 1 754 80 80 ALA H H 7.439 0.009 1 755 80 80 ALA HA H 4.902 0.018 1 756 80 80 ALA HB H 1.087 0.015 1 757 80 80 ALA C C 176.241 0.000 1 758 80 80 ALA CA C 50.727 0.098 1 759 80 80 ALA CB C 19.691 0.142 1 760 80 80 ALA N N 122.210 0.043 1 761 81 81 PHE H H 8.717 0.007 1 762 81 81 PHE HA H 5.081 0.033 1 763 81 81 PHE HB2 H 2.347 0.009 1 764 81 81 PHE HB3 H 2.020 0.017 1 765 81 81 PHE HE1 H 7.401 0.006 1 766 81 81 PHE HE2 H 7.401 0.006 1 767 81 81 PHE HZ H 6.890 0.027 1 768 81 81 PHE C C 174.836 0.000 1 769 81 81 PHE CA C 56.876 0.098 1 770 81 81 PHE CB C 44.344 0.037 1 771 81 81 PHE N N 121.814 0.053 1 772 82 82 ARG H H 9.530 0.011 1 773 82 82 ARG HA H 5.398 0.009 1 774 82 82 ARG HB2 H 1.649 0.025 1 775 82 82 ARG HB3 H 1.649 0.025 1 776 82 82 ARG HG2 H 1.706 0.020 1 777 82 82 ARG HG3 H 1.525 0.014 1 778 82 82 ARG HD2 H 3.232 0.022 1 779 82 82 ARG HD3 H 3.182 0.003 1 780 82 82 ARG HE H 7.401 0.012 1 781 82 82 ARG HH11 H 7.097 0.000 1 782 82 82 ARG HH12 H 6.881 0.008 1 783 82 82 ARG HH21 H 6.656 0.000 1 784 82 82 ARG C C 175.711 0.000 1 785 82 82 ARG CA C 54.231 0.115 1 786 82 82 ARG CB C 33.699 0.103 1 787 82 82 ARG CG C 27.835 0.051 1 788 82 82 ARG CD C 43.233 0.061 1 789 82 82 ARG CZ C 159.584 0.000 1 790 82 82 ARG N N 123.540 0.096 1 791 82 82 ARG NE N 84.731 0.034 1 792 83 83 MET H H 8.684 0.008 1 793 83 83 MET HA H 5.022 0.011 1 794 83 83 MET HB2 H 1.563 0.036 1 795 83 83 MET HB3 H 1.298 0.007 1 796 83 83 MET HG2 H 2.123 0.025 1 797 83 83 MET HG3 H 2.123 0.025 1 798 83 83 MET HE H 1.892 0.006 1 799 83 83 MET C C 174.379 0.000 1 800 83 83 MET CA C 55.591 0.100 1 801 83 83 MET CB C 35.596 0.161 1 802 83 83 MET CG C 29.000 0.000 1 803 83 83 MET CE C 16.609 0.066 1 804 83 83 MET N N 114.969 0.026 1 805 84 84 GLN H H 9.182 0.007 1 806 84 84 GLN HA H 4.006 0.017 1 807 84 84 GLN HB2 H 2.946 0.034 1 808 84 84 GLN HB3 H 2.946 0.034 1 809 84 84 GLN HG2 H 2.870 0.029 1 810 84 84 GLN HG3 H 2.365 0.001 1 811 84 84 GLN HE21 H 8.085 0.003 1 812 84 84 GLN HE22 H 7.557 0.021 1 813 84 84 GLN C C 171.905 0.000 1 814 84 84 GLN CA C 56.993 0.059 1 815 84 84 GLN CG C 36.376 0.000 1 816 84 84 GLN CD C 180.890 0.000 1 817 84 84 GLN N N 117.773 0.045 1 818 84 84 GLN NE2 N 112.208 0.175 1 819 85 85 TYR H H 8.242 0.006 1 820 85 85 TYR HA H 5.803 0.008 1 821 85 85 TYR HB2 H 3.152 0.024 1 822 85 85 TYR HB3 H 2.964 0.018 1 823 85 85 TYR HD1 H 6.998 0.017 1 824 85 85 TYR HD2 H 6.998 0.017 1 825 85 85 TYR HE1 H 6.453 0.012 1 826 85 85 TYR HE2 H 6.453 0.012 1 827 85 85 TYR C C 176.405 0.000 1 828 85 85 TYR CA C 55.808 0.100 1 829 85 85 TYR CB C 38.413 0.119 1 830 85 85 TYR N N 120.201 0.068 1 831 86 86 ALA H H 8.974 0.009 1 832 86 86 ALA HA H 5.343 0.017 1 833 86 86 ALA HB H 1.041 0.010 1 834 86 86 ALA C C 176.461 0.000 1 835 86 86 ALA CA C 51.503 0.061 1 836 86 86 ALA CB C 26.000 0.096 1 837 86 86 ALA N N 124.313 0.038 1 838 87 87 SER H H 7.598 0.007 1 839 87 87 SER HA H 5.415 0.009 1 840 87 87 SER HB2 H 4.292 0.010 1 841 87 87 SER HB3 H 3.568 0.007 1 842 87 87 SER C C 176.133 0.000 1 843 87 87 SER CA C 57.471 0.078 1 844 87 87 SER CB C 64.842 0.165 1 845 87 87 SER N N 114.715 0.038 1 846 88 88 LYS H H 9.678 0.007 1 847 88 88 LYS HA H 3.304 0.012 1 848 88 88 LYS HB2 H 1.808 0.009 1 849 88 88 LYS HB3 H 1.777 0.011 1 850 88 88 LYS HG2 H 1.347 0.014 1 851 88 88 LYS HG3 H 1.235 0.013 1 852 88 88 LYS HD2 H 1.605 0.015 1 853 88 88 LYS HD3 H 1.605 0.015 1 854 88 88 LYS HE2 H 2.952 0.022 1 855 88 88 LYS HE3 H 2.952 0.022 1 856 88 88 LYS C C 174.237 0.000 1 857 88 88 LYS CA C 59.577 0.140 1 858 88 88 LYS CB C 32.270 0.092 1 859 88 88 LYS CG C 25.277 0.056 1 860 88 88 LYS CD C 29.254 0.105 1 861 88 88 LYS CE C 41.866 0.114 1 862 88 88 LYS N N 121.768 0.020 1 863 89 89 ASP H H 7.826 0.006 1 864 89 89 ASP HA H 4.684 0.011 1 865 89 89 ASP HB2 H 3.015 0.008 1 866 89 89 ASP HB3 H 2.500 0.006 1 867 89 89 ASP C C 175.513 0.000 1 868 89 89 ASP CA C 52.422 0.084 1 869 89 89 ASP CB C 40.136 0.046 1 870 89 89 ASP N N 113.927 0.040 1 871 90 90 TRP H H 7.249 0.003 1 872 90 90 TRP HA H 4.793 0.019 1 873 90 90 TRP HB2 H 3.384 0.019 1 874 90 90 TRP HB3 H 3.384 0.019 1 875 90 90 TRP HD1 H 7.072 0.017 1 876 90 90 TRP HE1 H 10.393 0.044 1 877 90 90 TRP HE3 H 7.583 0.007 1 878 90 90 TRP C C 172.339 0.000 1 879 90 90 TRP CA C 60.017 0.105 1 880 90 90 TRP CB C 24.700 0.103 1 881 90 90 TRP N N 112.538 0.015 1 882 90 90 TRP NE1 N 129.405 0.012 1 883 91 91 SER H H 7.330 0.010 1 884 91 91 SER HA H 4.853 0.000 1 885 91 91 SER HB2 H 3.856 0.000 1 886 91 91 SER HB3 H 3.611 0.027 1 887 91 91 SER HG H 5.051 0.001 1 888 91 91 SER CA C 53.732 0.000 1 889 91 91 SER CB C 63.106 0.150 1 890 91 91 SER N N 111.581 0.019 1 891 92 92 PRO HA H 4.867 0.020 1 892 92 92 PRO HB2 H 2.214 0.016 1 893 92 92 PRO HB3 H 1.566 0.010 1 894 92 92 PRO HD2 H 3.933 0.003 1 895 92 92 PRO HD3 H 3.615 0.025 1 896 92 92 PRO C C 174.174 0.000 1 897 92 92 PRO CA C 63.545 0.072 1 898 92 92 PRO CB C 35.967 0.049 1 899 92 92 PRO CG C 25.179 0.000 1 900 92 92 PRO CD C 54.733 0.012 1 901 93 93 GLN H H 7.608 0.005 1 902 93 93 GLN HA H 4.916 0.006 1 903 93 93 GLN HB2 H 2.179 0.020 1 904 93 93 GLN HB3 H 2.018 0.012 1 905 93 93 GLN HG2 H 2.247 0.019 1 906 93 93 GLN HG3 H 2.247 0.019 1 907 93 93 GLN HE21 H 7.434 0.010 1 908 93 93 GLN HE22 H 6.673 0.015 1 909 93 93 GLN C C 173.561 0.000 1 910 93 93 GLN CA C 54.301 0.072 1 911 93 93 GLN CB C 35.341 0.057 1 912 93 93 GLN CG C 33.833 0.000 1 913 93 93 GLN N N 109.519 0.028 1 914 93 93 GLN NE2 N 112.707 0.059 1 915 94 94 PHE H H 9.540 0.010 1 916 94 94 PHE HA H 5.680 0.017 1 917 94 94 PHE HB2 H 3.571 0.005 1 918 94 94 PHE HB3 H 3.034 0.014 1 919 94 94 PHE HD1 H 7.255 0.000 1 920 94 94 PHE HD2 H 7.255 0.000 1 921 94 94 PHE HE1 H 6.528 0.000 1 922 94 94 PHE HE2 H 6.528 0.000 1 923 94 94 PHE HZ H 6.141 0.009 1 924 94 94 PHE C C 172.379 0.000 1 925 94 94 PHE CA C 56.757 0.091 1 926 94 94 PHE CB C 43.355 0.204 1 927 94 94 PHE N N 122.733 0.046 1 928 95 95 THR H H 9.438 0.007 1 929 95 95 THR HA H 5.038 0.022 1 930 95 95 THR HB H 4.178 0.011 1 931 95 95 THR HG1 H 5.671 0.000 1 932 95 95 THR HG2 H 1.067 0.013 1 933 95 95 THR C C 171.440 0.000 1 934 95 95 THR CA C 60.169 0.093 1 935 95 95 THR CB C 73.547 0.124 1 936 95 95 THR CG2 C 20.462 0.051 1 937 95 95 THR N N 116.187 0.019 1 938 96 96 ALA H H 8.954 0.010 1 939 96 96 ALA HA H 4.570 0.014 1 940 96 96 ALA HB H 1.461 0.011 1 941 96 96 ALA C C 178.490 0.000 1 942 96 96 ALA CA C 53.451 0.062 1 943 96 96 ALA CB C 19.954 0.079 1 944 96 96 ALA N N 127.801 0.015 1 945 97 97 ASP H H 8.717 0.008 1 946 97 97 ASP HA H 4.331 0.013 1 947 97 97 ASP HB2 H 2.742 0.011 1 948 97 97 ASP HB3 H 2.330 0.014 1 949 97 97 ASP C C 177.296 0.000 1 950 97 97 ASP CA C 56.325 0.163 1 951 97 97 ASP CB C 41.729 0.050 1 952 97 97 ASP N N 122.952 0.050 1 953 98 98 GLY H H 8.745 0.007 1 954 98 98 GLY HA2 H 4.274 0.013 1 955 98 98 GLY HA3 H 3.791 0.013 1 956 98 98 GLY C C 174.096 0.000 1 957 98 98 GLY CA C 45.621 0.125 1 958 98 98 GLY N N 115.488 0.128 1 959 99 99 LEU H H 8.472 0.007 1 960 99 99 LEU HA H 4.039 0.014 1 961 99 99 LEU HB2 H 2.093 0.009 1 962 99 99 LEU HB3 H 2.093 0.009 1 963 99 99 LEU HG H 1.477 0.009 1 964 99 99 LEU HD1 H 0.938 0.010 1 965 99 99 LEU HD2 H 0.795 0.010 1 966 99 99 LEU C C 175.991 0.000 1 967 99 99 LEU CA C 56.418 0.118 1 968 99 99 LEU CB C 37.179 0.096 1 969 99 99 LEU CG C 26.555 0.036 1 970 99 99 LEU CD1 C 25.681 0.035 1 971 99 99 LEU CD2 C 23.373 0.016 1 972 99 99 LEU N N 111.675 0.048 1 973 100 100 GLU H H 7.405 0.003 1 974 100 100 GLU HA H 5.529 0.009 1 975 100 100 GLU HB2 H 2.048 0.020 1 976 100 100 GLU HB3 H 1.973 0.025 1 977 100 100 GLU HG2 H 2.275 0.000 1 978 100 100 GLU HG3 H 2.213 0.000 1 979 100 100 GLU C C 174.109 0.000 1 980 100 100 GLU CA C 55.578 0.133 1 981 100 100 GLU CB C 33.616 0.055 1 982 100 100 GLU CG C 36.058 0.021 1 983 100 100 GLU N N 117.561 0.028 1 984 101 101 LEU H H 7.862 0.003 1 985 101 101 LEU HA H 4.883 0.018 1 986 101 101 LEU HB2 H 1.796 0.018 1 987 101 101 LEU HB3 H 1.343 0.011 1 988 101 101 LEU HG H 1.058 0.013 1 989 101 101 LEU HD1 H 0.700 0.020 1 990 101 101 LEU HD2 H 0.138 0.010 1 991 101 101 LEU C C 175.519 0.000 1 992 101 101 LEU CA C 53.892 0.035 1 993 101 101 LEU CB C 46.822 0.091 1 994 101 101 LEU CG C 25.762 0.017 1 995 101 101 LEU CD2 C 22.092 0.009 1 996 101 101 LEU N N 121.770 0.018 1 997 102 102 THR H H 9.459 0.005 1 998 102 102 THR HA H 4.856 0.000 1 999 102 102 THR HB H 4.017 0.009 1 1000 102 102 THR CA C 59.806 0.000 1 1001 102 102 THR CB C 71.359 0.000 1 1002 102 102 THR N N 122.357 0.023 1 1003 103 103 PRO HA H 4.546 0.012 1 1004 103 103 PRO HB2 H 2.204 0.000 1 1005 103 103 PRO HB3 H 2.119 0.009 1 1006 103 103 PRO HG2 H 2.276 0.009 1 1007 103 103 PRO HG3 H 1.722 0.016 1 1008 103 103 PRO HD2 H 3.872 0.000 1 1009 103 103 PRO HD3 H 3.872 0.000 1 1010 103 103 PRO C C 176.209 0.000 1 1011 103 103 PRO CA C 64.008 0.096 1 1012 103 103 PRO CB C 31.715 0.054 1 1013 103 103 PRO CG C 28.351 0.083 1 1014 104 104 GLY H H 9.503 0.007 1 1015 104 104 GLY HA2 H 4.267 0.008 1 1016 104 104 GLY HA3 H 3.363 0.002 1 1017 104 104 GLY C C 172.949 0.000 1 1018 104 104 GLY CA C 45.351 0.145 1 1019 104 104 GLY N N 109.970 0.031 1 1020 105 105 LYS H H 7.662 0.006 1 1021 105 105 LYS HA H 4.880 0.022 1 1022 105 105 LYS HB2 H 1.932 0.021 1 1023 105 105 LYS HB3 H 1.788 0.013 1 1024 105 105 LYS HG2 H 1.394 0.013 1 1025 105 105 LYS HG3 H 1.394 0.013 1 1026 105 105 LYS HD2 H 1.709 0.020 1 1027 105 105 LYS HD3 H 1.709 0.020 1 1028 105 105 LYS HE2 H 3.039 0.017 1 1029 105 105 LYS HE3 H 3.039 0.017 1 1030 105 105 LYS C C 176.506 0.000 1 1031 105 105 LYS CA C 54.681 0.134 1 1032 105 105 LYS CB C 34.463 0.099 1 1033 105 105 LYS CG C 24.793 0.194 1 1034 105 105 LYS CD C 28.952 0.128 1 1035 105 105 LYS CE C 42.159 0.260 1 1036 105 105 LYS N N 119.822 0.017 1 1037 106 106 THR H H 8.876 0.003 1 1038 106 106 THR HA H 4.509 0.014 1 1039 106 106 THR HB H 4.039 0.005 1 1040 106 106 THR HG1 H 5.516 0.010 1 1041 106 106 THR HG2 H 1.216 0.005 1 1042 106 106 THR C C 173.561 0.000 1 1043 106 106 THR CA C 63.939 0.115 1 1044 106 106 THR CB C 69.492 0.181 1 1045 106 106 THR CG2 C 23.056 0.110 1 1046 106 106 THR N N 122.961 0.101 1 1047 107 107 ALA H H 9.044 0.012 1 1048 107 107 ALA HA H 4.900 0.012 1 1049 107 107 ALA HB H 1.577 0.013 1 1050 107 107 ALA C C 176.414 0.000 1 1051 107 107 ALA CA C 50.431 0.138 1 1052 107 107 ALA CB C 23.003 0.102 1 1053 107 107 ALA N N 127.802 0.017 1 1054 108 108 SER H H 8.742 0.004 1 1055 108 108 SER HA H 4.873 0.007 1 1056 108 108 SER HB2 H 3.948 0.017 1 1057 108 108 SER HB3 H 3.948 0.017 1 1058 108 108 SER C C 172.424 0.000 1 1059 108 108 SER CA C 59.306 0.093 1 1060 108 108 SER CB C 63.254 0.161 1 1061 108 108 SER N N 115.068 0.034 1 1062 109 109 LEU H H 7.205 0.008 1 1063 109 109 LEU HA H 4.534 0.016 1 1064 109 109 LEU HB2 H 1.332 0.009 1 1065 109 109 LEU HB3 H 0.672 0.010 1 1066 109 109 LEU HG H 1.532 0.013 1 1067 109 109 LEU HD1 H 0.827 0.014 1 1068 109 109 LEU HD2 H 0.157 0.013 1 1069 109 109 LEU C C 173.124 0.000 1 1070 109 109 LEU CA C 52.936 0.096 1 1071 109 109 LEU CB C 45.693 0.273 1 1072 109 109 LEU CG C 26.845 0.292 1 1073 109 109 LEU CD1 C 23.035 0.018 1 1074 109 109 LEU CD2 C 26.427 0.025 1 1075 109 109 LEU N N 127.660 0.055 1 1076 110 110 LYS H H 9.142 0.007 1 1077 110 110 LYS HA H 5.054 0.004 1 1078 110 110 LYS HB2 H 1.961 0.014 1 1079 110 110 LYS HB3 H 1.961 0.014 1 1080 110 110 LYS HG2 H 1.322 0.011 1 1081 110 110 LYS HG3 H 1.322 0.011 1 1082 110 110 LYS HD2 H 1.725 0.005 1 1083 110 110 LYS HD3 H 1.725 0.005 1 1084 110 110 LYS HE2 H 2.974 0.003 1 1085 110 110 LYS HE3 H 2.974 0.003 1 1086 110 110 LYS C C 176.238 0.000 1 1087 110 110 LYS CA C 54.014 0.095 1 1088 110 110 LYS CB C 36.626 0.035 1 1089 110 110 LYS CG C 23.622 0.047 1 1090 110 110 LYS CD C 29.397 0.111 1 1091 110 110 LYS CE C 42.242 0.000 1 1092 110 110 LYS N N 123.110 0.029 1 1093 111 111 ARG H H 8.997 0.005 1 1094 111 111 ARG HA H 4.738 0.012 1 1095 111 111 ARG HB2 H 2.049 0.016 1 1096 111 111 ARG HB3 H 1.880 0.010 1 1097 111 111 ARG HD2 H 3.380 0.008 1 1098 111 111 ARG HD3 H 3.380 0.008 1 1099 111 111 ARG C C 176.908 0.000 1 1100 111 111 ARG CA C 58.725 0.064 1 1101 111 111 ARG CB C 30.053 0.084 1 1102 111 111 ARG CD C 43.102 0.094 1 1103 111 111 ARG N N 120.426 0.023 1 1104 112 112 GLY H H 8.711 0.006 1 1105 112 112 GLY HA2 H 4.537 0.007 1 1106 112 112 GLY HA3 H 3.746 0.010 1 1107 112 112 GLY C C 172.632 0.000 1 1108 112 112 GLY CA C 42.872 0.106 1 1109 112 112 GLY N N 109.675 0.058 1 1110 113 113 GLY H H 7.032 0.007 1 1111 113 113 GLY HA2 H 4.120 0.010 1 1112 113 113 GLY HA3 H 3.791 0.011 1 1113 113 113 GLY C C 172.782 0.000 1 1114 113 113 GLY CA C 43.986 0.111 1 1115 113 113 GLY N N 105.887 0.025 1 1116 114 114 TYR H H 9.272 0.007 1 1117 114 114 TYR HA H 3.743 0.022 1 1118 114 114 TYR HB2 H 2.885 0.012 1 1119 114 114 TYR HB3 H 2.885 0.012 1 1120 114 114 TYR C C 177.581 0.000 1 1121 114 114 TYR CA C 61.164 0.236 1 1122 114 114 TYR CB C 38.292 0.086 1 1123 114 114 TYR N N 125.165 0.016 1 1124 115 115 GLY H H 6.954 0.008 1 1125 115 115 GLY HA2 H 3.940 0.016 1 1126 115 115 GLY HA3 H 3.940 0.016 1 1127 115 115 GLY C C 174.714 0.000 1 1128 115 115 GLY CA C 45.861 0.154 1 1129 115 115 GLY N N 115.236 0.044 1 1130 116 116 GLN H H 7.429 0.012 1 1131 116 116 GLN HA H 4.433 0.005 1 1132 116 116 GLN HB2 H 2.173 0.008 1 1133 116 116 GLN HB3 H 1.756 0.024 1 1134 116 116 GLN HG2 H 2.032 0.006 1 1135 116 116 GLN HG3 H 2.032 0.006 1 1136 116 116 GLN HE21 H 7.430 0.005 1 1137 116 116 GLN HE22 H 6.675 0.005 1 1138 116 116 GLN C C 174.585 0.000 1 1139 116 116 GLN CA C 53.401 0.086 1 1140 116 116 GLN CB C 26.259 0.093 1 1141 116 116 GLN CG C 32.616 0.228 1 1142 116 116 GLN CD C 179.689 0.042 1 1143 116 116 GLN N N 122.114 0.049 1 1144 116 116 GLN NE2 N 111.066 0.182 1 1145 117 117 ASP H H 7.463 0.004 1 1146 117 117 ASP HA H 4.656 0.015 1 1147 117 117 ASP HB2 H 2.720 0.011 1 1148 117 117 ASP HB3 H 2.458 0.011 1 1149 117 117 ASP C C 175.794 0.000 1 1150 117 117 ASP CA C 54.206 0.164 1 1151 117 117 ASP CB C 41.825 0.041 1 1152 117 117 ASP N N 120.664 0.052 1 1153 118 118 THR H H 9.775 0.005 1 1154 118 118 THR HA H 3.869 0.008 1 1155 118 118 THR HB H 4.214 0.020 1 1156 118 118 THR HG1 H 5.859 0.000 1 1157 118 118 THR HG2 H 1.098 0.018 1 1158 118 118 THR C C 172.663 0.000 1 1159 118 118 THR CA C 64.714 0.098 1 1160 118 118 THR CB C 71.147 0.099 1 1161 118 118 THR CG2 C 22.423 0.057 1 1162 118 118 THR N N 120.119 0.047 1 1163 119 119 ALA H H 8.405 0.006 1 1164 119 119 ALA HA H 5.423 0.011 1 1165 119 119 ALA HB H 1.510 0.017 1 1166 119 119 ALA C C 177.015 0.000 1 1167 119 119 ALA CA C 50.787 0.077 1 1168 119 119 ALA CB C 20.796 0.062 1 1169 119 119 ALA N N 131.264 0.021 1 1170 120 120 VAL H H 8.771 0.006 1 1171 120 120 VAL HA H 4.657 0.015 1 1172 120 120 VAL HB H 2.090 0.017 1 1173 120 120 VAL HG1 H 1.198 0.016 1 1174 120 120 VAL HG2 H 1.049 0.011 1 1175 120 120 VAL C C 174.324 0.000 1 1176 120 120 VAL CA C 61.426 0.124 1 1177 120 120 VAL CB C 37.144 0.075 1 1178 120 120 VAL CG1 C 23.199 0.077 1 1179 120 120 VAL CG2 C 21.273 0.074 1 1180 120 120 VAL N N 121.586 0.028 1 1181 121 121 THR H H 9.151 0.004 1 1182 121 121 THR HA H 5.006 0.009 1 1183 121 121 THR HB H 4.020 0.004 1 1184 121 121 THR HG1 H 5.528 0.000 1 1185 121 121 THR HG2 H 0.926 0.009 1 1186 121 121 THR C C 174.007 0.000 1 1187 121 121 THR CA C 62.140 0.105 1 1188 121 121 THR CB C 69.333 0.174 1 1189 121 121 THR CG2 C 21.260 0.070 1 1190 121 121 THR N N 124.701 0.028 1 1191 122 122 LEU H H 9.307 0.008 1 1192 122 122 LEU HA H 4.232 0.000 1 1193 122 122 LEU HD1 H 0.647 0.001 1 1194 122 122 LEU HD2 H 0.128 0.011 1 1195 122 122 LEU CA C 50.342 0.000 1 1196 122 122 LEU CB C 40.787 0.000 1 1197 122 122 LEU N N 128.284 0.050 1 1198 123 123 PRO HA H 4.459 0.006 1 1199 123 123 PRO HB2 H 2.323 0.018 1 1200 123 123 PRO HB3 H 2.102 0.013 1 1201 123 123 PRO HG2 H 2.169 0.005 1 1202 123 123 PRO HG3 H 2.114 0.014 1 1203 123 123 PRO HD2 H 4.264 0.017 1 1204 123 123 PRO HD3 H 3.933 0.014 1 1205 123 123 PRO C C 175.308 0.000 1 1206 123 123 PRO CA C 64.260 0.162 1 1207 123 123 PRO CB C 32.801 0.091 1 1208 123 123 PRO CG C 27.778 0.087 1 1209 123 123 PRO CD C 50.838 0.114 1 1210 124 124 GLU H H 6.564 0.004 1 1211 124 124 GLU HA H 4.704 0.004 1 1212 124 124 GLU HB2 H 2.045 0.011 1 1213 124 124 GLU HB3 H 1.735 0.010 1 1214 124 124 GLU HG2 H 2.214 0.002 1 1215 124 124 GLU HG3 H 2.040 0.007 1 1216 124 124 GLU C C 175.016 0.000 1 1217 124 124 GLU CA C 53.822 0.084 1 1218 124 124 GLU CB C 33.823 0.169 1 1219 124 124 GLU CG C 35.599 0.054 1 1220 124 124 GLU N N 111.617 0.018 1 1221 125 125 ALA H H 9.116 0.007 1 1222 125 125 ALA HA H 4.409 0.014 1 1223 125 125 ALA HB H 1.642 0.006 1 1224 125 125 ALA C C 176.609 0.000 1 1225 125 125 ALA CA C 52.109 0.113 1 1226 125 125 ALA CB C 19.661 0.037 1 1227 125 125 ALA N N 127.340 0.020 1 1228 126 126 GLY H H 8.563 0.008 1 1229 126 126 GLY HA2 H 4.307 0.011 1 1230 126 126 GLY HA3 H 3.930 0.007 1 1231 126 126 GLY C C 172.052 0.000 1 1232 126 126 GLY CA C 44.268 0.127 1 1233 126 126 GLY N N 107.135 0.040 1 1234 127 127 GLN H H 8.425 0.010 1 1235 127 127 GLN HA H 5.034 0.017 1 1236 127 127 GLN HB2 H 1.689 0.027 1 1237 127 127 GLN HB3 H 1.689 0.027 1 1238 127 127 GLN HG2 H 2.301 0.012 1 1239 127 127 GLN HG3 H 2.024 0.010 1 1240 127 127 GLN HE21 H 7.488 0.005 1 1241 127 127 GLN HE22 H 6.679 0.007 1 1242 127 127 GLN C C 176.054 0.000 1 1243 127 127 GLN CA C 56.515 0.079 1 1244 127 127 GLN CB C 29.820 0.119 1 1245 127 127 GLN CG C 34.989 0.045 1 1246 127 127 GLN N N 119.204 0.051 1 1247 127 127 GLN NE2 N 111.480 0.105 1 1248 128 128 TYR H H 9.077 0.006 1 1249 128 128 TYR HA H 4.876 0.018 1 1250 128 128 TYR HB2 H 2.388 0.007 1 1251 128 128 TYR HB3 H 2.051 0.017 1 1252 128 128 TYR HD1 H 7.048 0.009 1 1253 128 128 TYR HD2 H 6.798 0.008 1 1254 128 128 TYR HE1 H 6.507 0.008 1 1255 128 128 TYR HE2 H 6.507 0.008 1 1256 128 128 TYR C C 173.165 0.000 1 1257 128 128 TYR CA C 56.902 0.104 1 1258 128 128 TYR CB C 41.704 0.034 1 1259 128 128 TYR N N 124.692 0.024 1 1260 129 129 VAL H H 9.167 0.013 1 1261 129 129 VAL HA H 5.207 0.016 1 1262 129 129 VAL HB H 2.068 0.011 1 1263 129 129 VAL HG1 H 0.759 0.014 1 1264 129 129 VAL HG2 H 0.703 0.010 1 1265 129 129 VAL C C 174.079 0.002 1 1266 129 129 VAL CA C 57.972 0.117 1 1267 129 129 VAL CB C 34.784 0.163 1 1268 129 129 VAL CG1 C 22.837 0.090 1 1269 129 129 VAL CG2 C 19.108 0.060 1 1270 129 129 VAL N N 116.901 0.033 1 1271 130 130 TRP H H 9.369 0.008 1 1272 130 130 TRP HA H 4.817 0.006 1 1273 130 130 TRP HB2 H 3.637 0.004 1 1274 130 130 TRP HB3 H 3.048 0.017 1 1275 130 130 TRP HD1 H 7.059 0.013 1 1276 130 130 TRP HZ2 H 7.258 0.003 1 1277 130 130 TRP C C 176.885 0.000 1 1278 130 130 TRP CA C 55.730 0.030 1 1279 130 130 TRP CB C 29.132 0.030 1 1280 130 130 TRP N N 133.392 0.205 1 1281 131 131 SER H H 9.745 0.006 1 1282 131 131 SER HA H 6.290 0.013 1 1283 131 131 SER HB2 H 3.822 0.018 1 1284 131 131 SER HB3 H 3.627 0.000 1 1285 131 131 SER HG H 5.425 0.000 1 1286 131 131 SER C C 174.379 0.000 1 1287 131 131 SER CA C 57.640 0.070 1 1288 131 131 SER CB C 66.989 0.021 1 1289 131 131 SER N N 117.837 0.021 1 1290 132 132 LEU H H 9.190 0.009 1 1291 132 132 LEU HA H 4.813 0.012 1 1292 132 132 LEU HB2 H 1.432 0.029 1 1293 132 132 LEU HB3 H 0.983 0.043 1 1294 132 132 LEU HG H 0.928 0.009 1 1295 132 132 LEU HD1 H 0.522 0.013 1 1296 132 132 LEU HD2 H 0.045 0.017 1 1297 132 132 LEU C C 173.950 0.000 1 1298 132 132 LEU CA C 53.633 0.134 1 1299 132 132 LEU CB C 48.103 0.054 1 1300 132 132 LEU CG C 26.147 0.000 1 1301 132 132 LEU CD1 C 24.136 0.044 1 1302 132 132 LEU CD2 C 24.136 0.044 1 1303 132 132 LEU N N 123.898 0.050 1 1304 133 133 LYS H H 8.613 0.009 1 1305 133 133 LYS HA H 5.287 0.010 1 1306 133 133 LYS HB2 H 1.768 0.018 1 1307 133 133 LYS HB3 H 1.471 0.015 1 1308 133 133 LYS HD2 H 1.770 0.009 1 1309 133 133 LYS HD3 H 1.641 0.012 1 1310 133 133 LYS HE2 H 3.073 0.017 1 1311 133 133 LYS HE3 H 3.073 0.017 1 1312 133 133 LYS C C 174.321 0.000 1 1313 133 133 LYS CA C 55.416 0.059 1 1314 133 133 LYS CB C 37.352 0.046 1 1315 133 133 LYS CG C 25.330 0.000 1 1316 133 133 LYS CD C 29.651 0.124 1 1317 133 133 LYS CE C 42.250 0.000 1 1318 133 133 LYS N N 122.450 0.037 1 1319 134 134 PHE H H 8.458 0.005 1 1320 134 134 PHE HA H 5.114 0.010 1 1321 134 134 PHE HB2 H 3.086 0.019 1 1322 134 134 PHE HB3 H 2.638 0.010 1 1323 134 134 PHE HD1 H 6.837 0.013 1 1324 134 134 PHE HD2 H 6.837 0.013 1 1325 134 134 PHE HE1 H 7.036 0.006 1 1326 134 134 PHE HE2 H 7.036 0.006 1 1327 134 134 PHE C C 175.142 0.000 1 1328 134 134 PHE CA C 57.277 0.073 1 1329 134 134 PHE CB C 44.273 0.068 1 1330 134 134 PHE N N 125.647 0.038 1 1331 135 135 THR H H 9.165 0.005 1 1332 135 135 THR HA H 4.830 0.014 1 1333 135 135 THR HB H 4.633 0.007 1 1334 135 135 THR HG1 H 5.101 0.008 1 1335 135 135 THR HG2 H 1.328 0.006 1 1336 135 135 THR C C 176.714 0.000 1 1337 135 135 THR CA C 61.068 0.088 1 1338 135 135 THR CB C 71.695 0.142 1 1339 135 135 THR CG2 C 22.232 0.109 1 1340 135 135 THR N N 109.591 0.034 1 1341 136 136 ASP H H 8.803 0.004 1 1342 136 136 ASP HA H 4.289 0.008 1 1343 136 136 ASP HB2 H 2.702 0.010 1 1344 136 136 ASP HB3 H 2.702 0.010 1 1345 136 136 ASP C C 177.405 0.000 1 1346 136 136 ASP CA C 57.096 0.099 1 1347 136 136 ASP CB C 40.727 0.050 1 1348 136 136 ASP N N 118.683 0.036 1 1349 137 137 SER H H 7.784 0.010 1 1350 137 137 SER HA H 4.496 0.003 1 1351 137 137 SER HB2 H 4.070 0.008 1 1352 137 137 SER HB3 H 3.817 0.006 1 1353 137 137 SER C C 175.043 0.000 1 1354 137 137 SER CA C 57.930 0.044 1 1355 137 137 SER CB C 63.858 0.044 1 1356 137 137 SER N N 110.096 0.059 1 1357 138 138 GLY H H 8.231 0.007 1 1358 138 138 GLY HA2 H 4.104 0.004 1 1359 138 138 GLY HA3 H 3.078 0.007 1 1360 138 138 GLY C C 172.906 0.000 1 1361 138 138 GLY CA C 45.459 0.128 1 1362 138 138 GLY N N 109.900 0.032 1 1363 139 139 ASP H H 7.746 0.007 1 1364 139 139 ASP HB2 H 2.792 0.000 1 1365 139 139 ASP HB3 H 2.703 0.000 1 1366 139 139 ASP CA C 52.899 0.105 1 1367 139 139 ASP CB C 39.357 0.038 1 1368 139 139 ASP N N 119.875 0.038 1 1369 140 140 PRO HA H 3.961 0.005 1 1370 140 140 PRO HB2 H 1.568 0.006 1 1371 140 140 PRO HB3 H 1.568 0.006 1 1372 140 140 PRO HG2 H 2.152 0.000 1 1373 140 140 PRO HG3 H 2.152 0.000 1 1374 140 140 PRO C C 175.194 0.000 1 1375 140 140 PRO CA C 63.975 0.062 1 1376 140 140 PRO CB C 31.888 0.131 1 1377 140 140 PRO CG C 27.780 0.000 1 1378 141 141 GLU H H 7.900 0.004 1 1379 141 141 GLU HA H 4.786 0.006 1 1380 141 141 GLU HB2 H 1.817 0.014 1 1381 141 141 GLU HB3 H 1.674 0.017 1 1382 141 141 GLU HG2 H 2.164 0.007 1 1383 141 141 GLU HG3 H 1.949 0.010 1 1384 141 141 GLU C C 172.039 0.000 1 1385 141 141 GLU CA C 58.597 0.118 1 1386 141 141 GLU CB C 33.409 0.087 1 1387 141 141 GLU CG C 37.041 0.017 1 1388 141 141 GLU N N 118.210 0.021 1 1389 142 142 GLN H H 8.109 0.009 1 1390 142 142 GLN HA H 5.509 0.009 1 1391 142 142 GLN HB2 H 1.990 0.025 1 1392 142 142 GLN HB3 H 1.823 0.010 1 1393 142 142 GLN HG2 H 2.296 0.012 1 1394 142 142 GLN HG3 H 2.177 0.007 1 1395 142 142 GLN HE21 H 7.434 0.004 1 1396 142 142 GLN HE22 H 6.648 0.011 1 1397 142 142 GLN C C 172.521 0.000 1 1398 142 142 GLN CA C 54.904 0.025 1 1399 142 142 GLN CB C 35.796 0.102 1 1400 142 142 GLN CG C 34.433 0.050 1 1401 142 142 GLN CD C 178.795 0.014 1 1402 142 142 GLN N N 117.716 0.029 1 1403 142 142 GLN NE2 N 110.715 0.184 1 1404 143 143 ILE H H 8.744 0.005 1 1405 143 143 ILE HA H 4.968 0.028 1 1406 143 143 ILE HB H 1.800 0.020 1 1407 143 143 ILE HG12 H 0.736 0.010 1 1408 143 143 ILE HG13 H 0.736 0.010 1 1409 143 143 ILE HG2 H 0.720 0.009 1 1410 143 143 ILE HD1 H 0.360 0.010 1 1411 143 143 ILE C C 170.952 0.000 1 1412 143 143 ILE CA C 58.120 0.133 1 1413 143 143 ILE CB C 39.644 0.012 1 1414 143 143 ILE CG1 C 28.412 0.000 1 1415 143 143 ILE CG2 C 14.741 0.019 1 1416 143 143 ILE CD1 C 15.761 0.021 1 1417 143 143 ILE N N 118.331 0.027 1 1418 144 144 MET H H 7.994 0.006 1 1419 144 144 MET HA H 4.526 0.019 1 1420 144 144 MET HB2 H 1.881 0.011 1 1421 144 144 MET HB3 H 1.881 0.011 1 1422 144 144 MET HG2 H 2.309 0.007 1 1423 144 144 MET HG3 H 2.234 0.012 1 1424 144 144 MET HE H 1.894 0.006 1 1425 144 144 MET C C 172.308 0.000 1 1426 144 144 MET CA C 55.450 0.062 1 1427 144 144 MET CB C 38.695 0.006 1 1428 144 144 MET CG C 31.314 0.037 1 1429 144 144 MET CE C 16.636 0.059 1 1430 144 144 MET N N 124.372 0.044 1 1431 145 145 VAL H H 9.210 0.006 1 1432 145 145 VAL HA H 5.273 0.017 1 1433 145 145 VAL HB H 1.562 0.019 1 1434 145 145 VAL HG1 H -0.714 0.000 1 1435 145 145 VAL HG2 H 0.451 0.011 1 1436 145 145 VAL C C 173.375 0.000 1 1437 145 145 VAL CA C 59.250 0.051 1 1438 145 145 VAL CB C 34.817 0.100 1 1439 145 145 VAL CG1 C 19.772 0.000 1 1440 145 145 VAL CG2 C 18.758 0.013 1 1441 145 145 VAL N N 123.753 0.029 1 1442 146 146 SER H H 8.244 0.008 1 1443 146 146 SER HA H 4.778 0.017 1 1444 146 146 SER HB2 H 3.599 0.012 1 1445 146 146 SER HB3 H 3.488 0.007 1 1446 146 146 SER C C 172.509 0.000 1 1447 146 146 SER CA C 56.786 0.077 1 1448 146 146 SER CB C 65.418 0.203 1 1449 146 146 SER N N 120.505 0.116 1 1450 147 147 LYS H H 8.740 0.010 1 1451 147 147 LYS HA H 3.488 0.012 1 1452 147 147 LYS HB2 H 1.398 0.012 1 1453 147 147 LYS HB3 H 1.105 0.018 1 1454 147 147 LYS HG2 H 1.385 0.000 1 1455 147 147 LYS HG3 H 1.224 0.010 1 1456 147 147 LYS HD2 H 1.774 0.026 1 1457 147 147 LYS HD3 H 1.774 0.026 1 1458 147 147 LYS C C 176.454 0.000 1 1459 147 147 LYS CA C 56.721 0.165 1 1460 147 147 LYS CB C 33.255 0.043 1 1461 147 147 LYS CG C 24.723 0.000 1 1462 147 147 LYS CD C 28.526 0.023 1 1463 147 147 LYS CE C 42.613 0.000 1 1464 147 147 LYS N N 129.087 0.042 1 1465 148 148 CYS H H 8.537 0.014 1 1466 148 148 CYS CA C 53.759 0.042 1 1467 148 148 CYS CB C 39.532 0.000 1 1468 148 148 CYS N N 126.570 0.100 1 1469 149 149 PRO HA H 4.342 0.007 1 1470 149 149 PRO HB2 H 2.217 0.005 1 1471 149 149 PRO HB3 H 1.896 0.005 1 1472 149 149 PRO HG2 H 1.937 0.010 1 1473 149 149 PRO HG3 H 1.937 0.010 1 1474 149 149 PRO HD2 H 3.697 0.004 1 1475 149 149 PRO HD3 H 3.697 0.004 1 1476 149 149 PRO C C 176.397 0.000 1 1477 149 149 PRO CA C 63.057 0.160 1 1478 149 149 PRO CB C 32.538 0.357 1 1479 149 149 PRO CG C 27.449 0.000 1 stop_ save_