data_25834 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the FHA domain of TbPar42 ; _BMRB_accession_number 25834 _BMRB_flat_file_name bmr25834.str _Entry_type original _Submission_date 2015-10-04 _Accession_date 2015-10-04 _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 Rehic Edisa . . 2 Bayer Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 968 "13C chemical shifts" 724 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-06 original BMRB . stop_ _Original_release_date 2016-10-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the FHA domain of TbPar42 ; _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 Rehic Edisa . . 2 Bayer Peter . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _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 'FHA domain of TbPar42' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 19288.570 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; GPMVTSTGLLSRVAAVEKAA EIAKPPPPKVVELTEAAKQL PQHIIGVTDPTKLNAQVSYF QCPPWAALPSVACHLQCTRD GLPLPALGLHRFPFYLFGRS KVCDYVLEHPSISSVHAVLV FHGGQRCFVLMDLGSTNGVK LNGNRIEKRRPLPAPVGSSI QFGFSSRVYKVQLGPPSSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 PRO 3 1 MET 4 2 VAL 5 3 THR 6 4 SER 7 5 THR 8 6 GLY 9 7 LEU 10 8 LEU 11 9 SER 12 10 ARG 13 11 VAL 14 12 ALA 15 13 ALA 16 14 VAL 17 15 GLU 18 16 LYS 19 17 ALA 20 18 ALA 21 19 GLU 22 20 ILE 23 21 ALA 24 22 LYS 25 23 PRO 26 24 PRO 27 25 PRO 28 26 PRO 29 27 LYS 30 28 VAL 31 29 VAL 32 30 GLU 33 31 LEU 34 32 THR 35 33 GLU 36 34 ALA 37 35 ALA 38 36 LYS 39 37 GLN 40 38 LEU 41 39 PRO 42 40 GLN 43 41 HIS 44 42 ILE 45 43 ILE 46 44 GLY 47 45 VAL 48 46 THR 49 47 ASP 50 48 PRO 51 49 THR 52 50 LYS 53 51 LEU 54 52 ASN 55 53 ALA 56 54 GLN 57 55 VAL 58 56 SER 59 57 TYR 60 58 PHE 61 59 GLN 62 60 CYS 63 61 PRO 64 62 PRO 65 63 TRP 66 64 ALA 67 65 ALA 68 66 LEU 69 67 PRO 70 68 SER 71 69 VAL 72 70 ALA 73 71 CYS 74 72 HIS 75 73 LEU 76 74 GLN 77 75 CYS 78 76 THR 79 77 ARG 80 78 ASP 81 79 GLY 82 80 LEU 83 81 PRO 84 82 LEU 85 83 PRO 86 84 ALA 87 85 LEU 88 86 GLY 89 87 LEU 90 88 HIS 91 89 ARG 92 90 PHE 93 91 PRO 94 92 PHE 95 93 TYR 96 94 LEU 97 95 PHE 98 96 GLY 99 97 ARG 100 98 SER 101 99 LYS 102 100 VAL 103 101 CYS 104 102 ASP 105 103 TYR 106 104 VAL 107 105 LEU 108 106 GLU 109 107 HIS 110 108 PRO 111 109 SER 112 110 ILE 113 111 SER 114 112 SER 115 113 VAL 116 114 HIS 117 115 ALA 118 116 VAL 119 117 LEU 120 118 VAL 121 119 PHE 122 120 HIS 123 121 GLY 124 122 GLY 125 123 GLN 126 124 ARG 127 125 CYS 128 126 PHE 129 127 VAL 130 128 LEU 131 129 MET 132 130 ASP 133 131 LEU 134 132 GLY 135 133 SER 136 134 THR 137 135 ASN 138 136 GLY 139 137 VAL 140 138 LYS 141 139 LEU 142 140 ASN 143 141 GLY 144 142 ASN 145 143 ARG 146 144 ILE 147 145 GLU 148 146 LYS 149 147 ARG 150 148 ARG 151 149 PRO 152 150 LEU 153 151 PRO 154 152 ALA 155 153 PRO 156 154 VAL 157 155 GLY 158 156 SER 159 157 SER 160 158 ILE 161 159 GLN 162 160 PHE 163 161 GLY 164 162 PHE 165 163 SER 166 164 SER 167 165 ARG 168 166 VAL 169 167 TYR 170 168 LYS 171 169 VAL 172 170 GLN 173 171 LEU 174 172 GLY 175 173 PRO 176 174 PRO 177 175 SER 178 176 SER 179 177 SER 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 $entity kinetoplastids 5691 Eukaryota . Trypanosoma brucei 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 'recombinant technology' . Escherichia coli BL21 pet41b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N13C_FHA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM '[U-13C; U-15N]' KPiBuffer 50 mM 'natural abundance' DTT 2 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_15NFHA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1mM mM [U-15N] KPiBuffer 50 mM 'natural abundance' DTT 2 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_13C_FHA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM [U-13C] KPiBuffer 50 mM 'natural abundance' DTT 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_natural_abundance _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM 'natural abundance' KPiBuffer 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_Talos _Saveframe_category software _Name Talos _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15NFHA save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C_FHA save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $natural_abundance save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $natural_abundance save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $natural_abundance save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13C_FHA save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13C_FHA save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N13C_FHA save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N13C_FHA save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N13C_FHA save_ save_3D_HCACO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $15N13C_FHA save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N13C_FHA save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $15N13C_FHA save_ save_3D_C(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N13C_FHA save_ save_3D_H(CCO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N13C_FHA save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C_FHA save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_FHA save_ save_3D_1H-13C_NOESY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C_FHA save_ save_3D_1H-15N_TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15NFHA save_ save_3D_1H-15N_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15NFHA save_ ####################### # Sample conditions # ####################### save_Potassium_phosphate_buffer _Saveframe_category sample_conditions _Details '50 mM Potassium phosphate buffer + 2mM DTT' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.23 . pH temperature 300.15 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-1H COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNHA' '3D HN(CO)CA' '3D HCACO' '2D 1H-13C HSQC aromatic' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $15NFHA $13C_FHA $natural_abundance $15N13C_FHA stop_ _Sample_conditions_label $Potassium_phosphate_buffer _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 3 MET H H 8.477 0.003 1 2 1 3 MET HA H 4.416 0.003 1 3 1 3 MET HB2 H 1.972 0.003 2 4 1 3 MET HB3 H 1.961 0.003 2 5 1 3 MET HG2 H 2.495 0.003 2 6 1 3 MET HG3 H 2.536 0.003 2 7 1 3 MET C C 176.061 0.010 1 8 1 3 MET CA C 55.827 0.010 1 9 1 3 MET CB C 32.869 0.010 1 10 1 3 MET CG C 33.470 0.010 1 11 1 3 MET N N 121.215 0.020 1 12 2 4 VAL H H 8.213 0.003 1 13 2 4 VAL HA H 4.167 0.003 1 14 2 4 VAL HB H 2.000 0.003 1 15 2 4 VAL HG1 H 0.872 0.003 2 16 2 4 VAL HG2 H 0.864 0.003 2 17 2 4 VAL C C 176.225 0.010 1 18 2 4 VAL CA C 62.156 0.010 1 19 2 4 VAL CB C 32.855 0.010 1 20 2 4 VAL CG1 C 21.048 0.010 1 21 2 4 VAL CG2 C 21.048 0.010 1 22 2 4 VAL N N 122.483 0.020 1 23 3 5 THR H H 8.228 0.003 1 24 3 5 THR HA H 4.353 0.003 1 25 3 5 THR HB H 4.181 0.003 1 26 3 5 THR HG2 H 1.142 0.003 1 27 3 5 THR C C 174.614 0.010 1 28 3 5 THR CA C 61.571 0.010 1 29 3 5 THR CB C 69.948 0.010 1 30 3 5 THR CG2 C 21.789 0.010 1 31 3 5 THR N N 117.952 0.020 1 32 4 6 SER H H 8.350 0.003 1 33 4 6 SER HA H 4.490 0.003 1 34 4 6 SER HB2 H 3.865 0.003 2 35 4 6 SER HB3 H 3.803 0.003 2 36 4 6 SER C C 174.867 0.010 1 37 4 6 SER CA C 58.451 0.010 1 38 4 6 SER CB C 63.853 0.010 1 39 4 6 SER N N 118.076 0.020 1 40 5 7 THR H H 8.125 0.003 1 41 5 7 THR HA H 4.277 0.003 1 42 5 7 THR HB H 4.205 0.003 1 43 5 7 THR HG2 H 1.137 0.003 1 44 5 7 THR C C 175.173 0.010 1 45 5 7 THR CA C 62.114 0.010 1 46 5 7 THR CB C 69.702 0.010 1 47 5 7 THR CG2 C 21.809 0.010 1 48 5 7 THR N N 115.176 0.020 1 49 6 8 GLY H H 8.289 0.003 1 50 6 8 GLY HA3 H 3.887 0.003 2 51 6 8 GLY C C 173.939 0.010 1 52 6 8 GLY CA C 45.253 0.010 1 53 6 8 GLY N N 110.725 0.020 1 54 7 9 LEU H H 7.984 0.003 1 55 7 9 LEU HA H 4.246 0.003 1 56 7 9 LEU HB2 H 1.537 0.003 2 57 7 9 LEU HB3 H 1.540 0.003 2 58 7 9 LEU HG H 1.540 0.003 1 59 7 9 LEU HD1 H 0.804 0.003 2 60 7 9 LEU HD2 H 0.854 0.003 2 61 7 9 LEU C C 177.317 0.010 1 62 7 9 LEU CA C 55.509 0.010 1 63 7 9 LEU CB C 42.507 0.010 1 64 7 9 LEU CG C 27.299 0.010 1 65 7 9 LEU CD1 C 24.354 0.010 1 66 7 9 LEU CD2 C 24.609 0.010 1 67 7 9 LEU N N 121.627 0.020 1 68 8 10 LEU H H 8.163 0.003 1 69 8 10 LEU HA H 4.304 0.003 1 70 8 10 LEU HB2 H 1.606 0.003 2 71 8 10 LEU HB3 H 1.528 0.003 2 72 8 10 LEU HG H 1.528 0.003 1 73 8 10 LEU HD1 H 0.798 0.003 2 74 8 10 LEU HD2 H 0.853 0.003 2 75 8 10 LEU CA C 55.289 0.010 1 76 8 10 LEU CB C 42.314 0.010 1 77 8 10 LEU CG C 27.261 0.010 1 78 8 10 LEU CD1 C 24.105 0.010 1 79 8 10 LEU CD2 C 24.700 0.010 1 80 8 10 LEU N N 122.317 0.020 1 81 9 11 SER H H 8.088 0.003 1 82 9 11 SER HA H 4.315 0.003 1 83 9 11 SER HB2 H 3.782 0.003 2 84 9 11 SER HB3 H 3.799 0.003 2 85 9 11 SER CA C 58.253 0.010 1 86 9 11 SER CB C 63.786 0.010 1 87 9 11 SER N N 116.218 0.020 1 88 10 12 ARG H H 8.211 0.003 1 89 10 12 ARG HA H 4.305 0.003 1 90 10 12 ARG HB2 H 1.759 0.003 2 91 10 12 ARG HB3 H 1.709 0.003 2 92 10 12 ARG HG2 H 1.590 0.003 2 93 10 12 ARG HG3 H 1.542 0.003 2 94 10 12 ARG HD2 H 3.124 0.003 2 95 10 12 ARG HD3 H 3.135 0.003 2 96 10 12 ARG C C 177.734 0.010 1 97 10 12 ARG CA C 56.289 0.010 1 98 10 12 ARG CB C 30.591 0.010 1 99 10 12 ARG CG C 27.275 0.010 1 100 10 12 ARG CD C 43.240 0.010 1 101 10 12 ARG N N 122.939 0.020 1 102 11 13 VAL H H 8.006 0.003 1 103 11 13 VAL HA H 4.005 0.003 1 104 11 13 VAL HB H 1.989 0.003 1 105 11 13 VAL HG1 H 0.875 0.003 2 106 11 13 VAL HG2 H 0.868 0.003 2 107 11 13 VAL C C 175.793 0.010 1 108 11 13 VAL CA C 62.353 0.010 1 109 11 13 VAL CB C 32.668 0.010 1 110 11 13 VAL CG1 C 21.007 0.010 1 111 11 13 VAL CG2 C 21.074 0.010 1 112 11 13 VAL N N 120.980 0.020 1 113 12 14 ALA H H 8.246 0.003 1 114 12 14 ALA HA H 4.232 0.003 1 115 12 14 ALA HB H 1.319 0.003 1 116 12 14 ALA C C 177.174 0.010 1 117 12 14 ALA CA C 52.429 0.010 1 118 12 14 ALA CB C 19.227 0.010 1 119 12 14 ALA N N 127.736 0.020 1 120 13 15 ALA H H 8.158 0.003 1 121 13 15 ALA HA H 4.237 0.003 1 122 13 15 ALA HB H 1.324 0.003 1 123 13 15 ALA C C 177.800 0.010 1 124 13 15 ALA CA C 52.445 0.010 1 125 13 15 ALA CB C 19.115 0.010 1 126 13 15 ALA N N 123.061 0.020 1 127 14 16 VAL H H 7.988 0.003 1 128 14 16 VAL HA H 4.000 0.003 1 129 14 16 VAL HB H 1.995 0.003 1 130 14 16 VAL HG1 H 0.871 0.003 2 131 14 16 VAL HG2 H 0.857 0.003 2 132 14 16 VAL C C 176.284 0.010 1 133 14 16 VAL CA C 62.337 0.010 1 134 14 16 VAL CB C 32.739 0.010 1 135 14 16 VAL CG1 C 21.053 0.010 1 136 14 16 VAL CG2 C 21.046 0.010 1 137 14 16 VAL N N 119.391 0.020 1 138 15 17 GLU H H 8.369 0.003 1 139 15 17 GLU HA H 4.200 0.003 1 140 15 17 GLU HB2 H 1.942 0.003 2 141 15 17 GLU HB3 H 1.867 0.003 2 142 15 17 GLU HG2 H 2.204 0.003 2 143 15 17 GLU HG3 H 2.152 0.003 2 144 15 17 GLU C C 176.542 0.010 1 145 15 17 GLU CA C 56.541 0.010 1 146 15 17 GLU CB C 30.528 0.010 1 147 15 17 GLU CG C 36.545 0.010 1 148 15 17 GLU N N 124.744 0.020 1 149 16 18 LYS H H 8.264 0.003 1 150 16 18 LYS HA H 4.197 0.003 1 151 16 18 LYS HB2 H 1.702 0.003 2 152 16 18 LYS HB3 H 1.753 0.003 2 153 16 18 LYS HG2 H 1.378 0.003 2 154 16 18 LYS HG3 H 1.383 0.003 2 155 16 18 LYS HD2 H 1.631 0.003 2 156 16 18 LYS HD3 H 1.617 0.003 2 157 16 18 LYS HE2 H 2.929 0.003 2 158 16 18 LYS HE3 H 2.936 0.003 2 159 16 18 LYS C C 176.218 0.010 1 160 16 18 LYS CA C 56.253 0.010 1 161 16 18 LYS CB C 32.898 0.010 1 162 16 18 LYS CG C 24.944 0.010 1 163 16 18 LYS CD C 29.215 0.010 1 164 16 18 LYS CE C 42.001 0.010 1 165 16 18 LYS N N 122.786 0.020 1 166 17 19 ALA H H 8.226 0.003 1 167 17 19 ALA HA H 4.184 0.003 1 168 17 19 ALA HB H 1.330 0.003 1 169 17 19 ALA C C 177.579 0.010 1 170 17 19 ALA CA C 52.516 0.010 1 171 17 19 ALA CB C 19.105 0.010 1 172 17 19 ALA N N 125.458 0.020 1 173 18 20 ALA H H 8.153 0.003 1 174 18 20 ALA HA H 4.224 0.003 1 175 18 20 ALA HB H 1.318 0.003 1 176 18 20 ALA CA C 52.520 0.010 1 177 18 20 ALA CB C 19.127 0.010 1 178 18 20 ALA N N 123.616 0.020 1 179 19 21 GLU H H 8.209 0.003 1 180 19 21 GLU HA H 4.199 0.003 1 181 19 21 GLU HB2 H 1.964 0.003 2 182 19 21 GLU HB3 H 1.879 0.003 2 183 19 21 GLU HG2 H 2.220 0.003 2 184 19 21 GLU HG3 H 2.140 0.003 2 185 19 21 GLU CA C 56.370 0.010 1 186 19 21 GLU CB C 30.637 0.010 1 187 19 21 GLU CG C 36.512 0.010 1 188 19 21 GLU N N 120.282 0.020 1 189 20 22 ILE H H 8.038 0.003 1 190 20 22 ILE HA H 4.060 0.003 1 191 20 22 ILE HB H 1.794 0.003 1 192 20 22 ILE HG12 H 1.408 0.003 2 193 20 22 ILE HG13 H 1.133 0.003 2 194 20 22 ILE HG2 H 0.845 0.003 1 195 20 22 ILE HD1 H 0.791 0.003 1 196 20 22 ILE C C 175.806 0.010 1 197 20 22 ILE CA C 60.980 0.010 1 198 20 22 ILE CB C 38.690 0.010 1 199 20 22 ILE CG1 C 27.644 0.010 1 200 20 22 ILE CG2 C 17.627 0.010 1 201 20 22 ILE CD1 C 13.059 0.010 1 202 20 22 ILE N N 122.046 0.020 1 203 21 23 ALA H H 8.224 0.003 1 204 21 23 ALA HA H 4.185 0.003 1 205 21 23 ALA HB H 1.276 0.003 1 206 21 23 ALA C C 175.942 0.010 1 207 21 23 ALA CA C 52.447 0.010 1 208 21 23 ALA CB C 19.297 0.010 1 209 21 23 ALA N N 128.175 0.020 1 210 22 24 LYS H H 7.903 0.003 1 211 22 24 LYS HA H 4.227 0.003 1 212 22 24 LYS HB2 H 1.610 0.003 2 213 22 24 LYS HB3 H 1.595 0.003 2 214 22 24 LYS HG3 H 1.372 0.003 2 215 22 24 LYS HD2 H 1.746 0.003 2 216 22 24 LYS HD3 H 1.675 0.003 2 217 22 24 LYS HE2 H 2.926 0.003 2 218 22 24 LYS HE3 H 2.919 0.003 2 219 22 24 LYS C C 174.303 0.010 1 220 22 24 LYS CA C 53.397 0.010 1 221 22 24 LYS CB C 34.459 0.010 1 222 22 24 LYS CG C 24.981 0.010 1 223 22 24 LYS CD C 29.197 0.010 1 224 22 24 LYS CE C 42.142 0.010 1 225 22 24 LYS N N 120.107 0.020 1 226 26 28 PRO HA H 4.343 0.003 1 227 26 28 PRO HB2 H 1.943 0.003 1 228 26 28 PRO HB3 H 2.209 0.003 1 229 26 28 PRO HG2 H 1.947 0.003 2 230 26 28 PRO HG3 H 1.945 0.003 2 231 26 28 PRO HD2 H 3.757 0.003 2 232 26 28 PRO HD3 H 3.552 0.003 2 233 26 28 PRO CA C 62.693 0.010 1 234 26 28 PRO CB C 32.060 0.010 1 235 26 28 PRO CG C 27.340 0.010 1 236 26 28 PRO CD C 50.340 0.010 1 237 27 29 LYS H H 8.253 0.003 1 238 27 29 LYS HA H 4.214 0.003 1 239 27 29 LYS HB2 H 1.677 0.003 2 240 27 29 LYS HB3 H 1.735 0.003 2 241 27 29 LYS HG2 H 1.358 0.003 2 242 27 29 LYS HG3 H 1.368 0.003 2 243 27 29 LYS HD2 H 1.615 0.003 2 244 27 29 LYS HD3 H 1.620 0.003 2 245 27 29 LYS HE2 H 2.915 0.003 2 246 27 29 LYS HE3 H 2.926 0.003 2 247 27 29 LYS C C 176.450 0.010 1 248 27 29 LYS CA C 56.209 0.010 1 249 27 29 LYS CB C 32.935 0.010 1 250 27 29 LYS CG C 24.590 0.010 1 251 27 29 LYS CD C 29.060 0.010 1 252 27 29 LYS CE C 42.140 0.010 1 253 27 29 LYS N N 121.752 0.020 1 254 28 30 VAL H H 8.128 0.003 1 255 28 30 VAL HA H 4.004 0.003 1 256 28 30 VAL HB H 1.914 0.003 1 257 28 30 VAL HG1 H 0.882 0.003 2 258 28 30 VAL HG2 H 0.814 0.003 2 259 28 30 VAL C C 175.672 0.010 1 260 28 30 VAL CA C 62.268 0.010 1 261 28 30 VAL CB C 32.882 0.010 1 262 28 30 VAL CG1 C 20.951 0.010 1 263 28 30 VAL CG2 C 21.132 0.010 1 264 28 30 VAL N N 123.000 0.020 1 265 29 31 VAL H H 8.144 0.003 1 266 29 31 VAL HA H 3.871 0.003 1 267 29 31 VAL HB H 1.811 0.003 1 268 29 31 VAL HG1 H 0.711 0.003 2 269 29 31 VAL HG2 H 0.813 0.003 2 270 29 31 VAL C C 174.835 0.010 1 271 29 31 VAL CA C 62.288 0.010 1 272 29 31 VAL CB C 32.811 0.010 1 273 29 31 VAL CG1 C 21.340 0.010 1 274 29 31 VAL CG2 C 21.167 0.010 1 275 29 31 VAL N N 126.899 0.020 1 276 30 32 GLU H H 8.239 0.003 1 277 30 32 GLU HA H 4.187 0.003 1 278 30 32 GLU HB2 H 1.880 0.003 2 279 30 32 GLU HB3 H 1.945 0.003 2 280 30 32 GLU HG2 H 2.200 0.003 2 281 30 32 GLU HG3 H 2.160 0.003 2 282 30 32 GLU C C 177.203 0.010 1 283 30 32 GLU CA C 55.688 0.010 1 284 30 32 GLU CB C 30.501 0.010 1 285 30 32 GLU CG C 36.423 0.010 1 286 30 32 GLU N N 125.745 0.020 1 287 31 33 LEU H H 8.513 0.003 1 288 31 33 LEU HA H 4.827 0.003 1 289 31 33 LEU HB2 H 1.403 0.003 2 290 31 33 LEU HB3 H 1.585 0.003 2 291 31 33 LEU HG H 1.552 0.003 1 292 31 33 LEU HD1 H 0.818 0.003 2 293 31 33 LEU HD2 H 0.709 0.003 2 294 31 33 LEU C C 178.237 0.010 1 295 31 33 LEU CA C 54.633 0.010 1 296 31 33 LEU CB C 43.356 0.010 1 297 31 33 LEU CG C 27.339 0.010 1 298 31 33 LEU CD1 C 24.306 0.010 1 299 31 33 LEU CD2 C 23.318 0.010 1 300 31 33 LEU N N 125.229 0.020 1 301 32 34 THR H H 8.444 0.003 1 302 32 34 THR HA H 4.184 0.003 1 303 32 34 THR HB H 4.546 0.003 1 304 32 34 THR HG2 H 1.186 0.003 1 305 32 34 THR C C 174.923 0.010 1 306 32 34 THR CA C 61.002 0.010 1 307 32 34 THR CB C 70.848 0.010 1 308 32 34 THR CG2 C 21.736 0.010 1 309 32 34 THR N N 113.162 0.020 1 310 33 35 GLU H H 8.614 0.003 1 311 33 35 GLU HA H 3.756 0.003 1 312 33 35 GLU HB2 H 1.940 0.003 2 313 33 35 GLU HB3 H 1.914 0.003 2 314 33 35 GLU HG2 H 2.240 0.003 1 315 33 35 GLU HG3 H 2.221 0.003 1 316 33 35 GLU C C 178.906 0.010 1 317 33 35 GLU CA C 59.855 0.010 1 318 33 35 GLU CB C 28.903 0.010 1 319 33 35 GLU CG C 36.428 0.010 1 320 33 35 GLU N N 119.849 0.020 1 321 34 36 ALA H H 8.102 0.003 1 322 34 36 ALA HA H 3.970 0.003 1 323 34 36 ALA HB H 1.178 0.003 1 324 34 36 ALA C C 180.554 0.010 1 325 34 36 ALA CA C 54.583 0.010 1 326 34 36 ALA CB C 18.776 0.010 1 327 34 36 ALA N N 118.382 0.020 1 328 35 37 ALA H H 7.456 0.003 1 329 35 37 ALA HA H 3.845 0.003 1 330 35 37 ALA HB H 1.416 0.003 1 331 35 37 ALA C C 178.231 0.010 1 332 35 37 ALA CA C 54.506 0.010 1 333 35 37 ALA CB C 19.145 0.010 1 334 35 37 ALA N N 121.658 0.020 1 335 36 38 LYS H H 7.897 0.003 1 336 36 38 LYS HA H 3.856 0.003 1 337 36 38 LYS HB2 H 1.779 0.003 2 338 36 38 LYS HB3 H 1.803 0.003 2 339 36 38 LYS HG2 H 1.279 0.003 2 340 36 38 LYS HG3 H 1.509 0.003 2 341 36 38 LYS HD2 H 1.501 0.003 2 342 36 38 LYS HD3 H 1.509 0.003 2 343 36 38 LYS HE2 H 2.817 0.003 2 344 36 38 LYS HE3 H 2.846 0.003 2 345 36 38 LYS C C 176.884 0.010 1 346 36 38 LYS CA C 58.800 0.010 1 347 36 38 LYS CB C 32.820 0.010 1 348 36 38 LYS CG C 27.060 0.010 1 349 36 38 LYS CD C 29.872 0.010 1 350 36 38 LYS CE C 42.029 0.010 1 351 36 38 LYS N N 114.479 0.020 1 352 37 39 GLN H H 6.970 0.003 1 353 37 39 GLN HA H 4.200 0.003 1 354 37 39 GLN HB2 H 2.209 0.003 2 355 37 39 GLN HB3 H 1.801 0.003 2 356 37 39 GLN HG2 H 2.377 0.003 2 357 37 39 GLN HG3 H 2.381 0.003 2 358 37 39 GLN HE21 H 6.704 0.003 2 359 37 39 GLN HE22 H 7.346 0.003 2 360 37 39 GLN C C 176.478 0.010 1 361 37 39 GLN CA C 55.119 0.010 1 362 37 39 GLN CB C 28.383 0.010 1 363 37 39 GLN CG C 33.569 0.010 1 364 37 39 GLN N N 114.203 0.020 1 365 37 39 GLN NE2 N 112.655 0.020 1 366 38 40 LEU H H 7.155 0.003 1 367 38 40 LEU HA H 3.845 0.003 1 368 38 40 LEU HB2 H 1.793 0.003 2 369 38 40 LEU HB3 H 1.410 0.003 2 370 38 40 LEU HG H 1.652 0.003 1 371 38 40 LEU HD1 H 0.827 0.003 2 372 38 40 LEU HD2 H 0.742 0.003 2 373 38 40 LEU C C 171.820 0.010 1 374 38 40 LEU CA C 53.862 0.010 1 375 38 40 LEU CB C 40.017 0.010 1 376 38 40 LEU CD1 C 25.253 0.010 1 377 38 40 LEU CD2 C 23.167 0.010 1 378 38 40 LEU N N 120.478 0.020 1 379 39 41 PRO HA H 4.325 0.003 1 380 39 41 PRO HB2 H 2.386 0.003 1 381 39 41 PRO HB3 H 1.805 0.003 1 382 39 41 PRO HG2 H 1.965 0.003 2 383 39 41 PRO HD2 H 3.505 0.003 2 384 39 41 PRO HD3 H 3.547 0.003 2 385 39 41 PRO CA C 62.950 0.010 1 386 39 41 PRO CB C 32.082 0.010 1 387 39 41 PRO CG C 27.820 0.010 1 388 39 41 PRO CD C 50.984 0.010 1 389 40 42 GLN H H 9.245 0.003 1 390 40 42 GLN HA H 3.784 0.003 1 391 40 42 GLN HB2 H 2.128 0.003 2 392 40 42 GLN HB3 H 2.198 0.003 2 393 40 42 GLN HG2 H 2.442 0.003 2 394 40 42 GLN HG3 H 2.452 0.003 2 395 40 42 GLN HE21 H 7.594 0.003 2 396 40 42 GLN HE22 H 6.824 0.003 2 397 40 42 GLN C C 177.994 0.010 1 398 40 42 GLN CA C 59.489 0.010 1 399 40 42 GLN CB C 28.127 0.010 1 400 40 42 GLN CG C 33.787 0.010 1 401 40 42 GLN N N 125.695 0.020 1 402 40 42 GLN NE2 N 113.186 0.020 1 403 41 43 HIS H H 11.289 0.003 1 404 41 43 HIS HA H 4.529 0.003 1 405 41 43 HIS HB2 H 3.249 0.003 2 406 41 43 HIS HB3 H 2.971 0.003 2 407 41 43 HIS HD2 H 7.000 0.003 1 408 41 43 HIS HE1 H 7.963 0.003 1 409 41 43 HIS CA C 58.408 0.010 1 410 41 43 HIS CB C 29.389 0.010 1 411 41 43 HIS CD2 C 118.299 0.010 1 412 41 43 HIS CE1 C 139.677 0.010 1 413 41 43 HIS N N 125.870 0.020 1 414 42 44 ILE H H 6.700 0.003 1 415 42 44 ILE HA H 3.867 0.003 1 416 42 44 ILE HB H 1.965 0.003 1 417 42 44 ILE HG12 H 0.948 0.003 2 418 42 44 ILE HG13 H 0.544 0.003 2 419 42 44 ILE HG2 H 0.790 0.003 1 420 42 44 ILE HD1 H 0.404 0.003 1 421 42 44 ILE C C 178.715 0.010 1 422 42 44 ILE CA C 60.123 0.010 1 423 42 44 ILE CB C 35.548 0.010 1 424 42 44 ILE CG1 C 25.734 0.010 1 425 42 44 ILE CG2 C 16.633 0.010 1 426 42 44 ILE CD1 C 9.186 0.010 1 427 42 44 ILE N N 119.609 0.020 1 428 43 45 ILE H H 7.673 0.003 1 429 43 45 ILE HA H 3.499 0.003 1 430 43 45 ILE HB H 1.702 0.003 1 431 43 45 ILE HG12 H 1.314 0.003 1 432 43 45 ILE HG13 H 0.731 0.003 1 433 43 45 ILE HG2 H 0.787 0.003 1 434 43 45 ILE HD1 H 0.734 0.003 1 435 43 45 ILE C C 178.325 0.010 1 436 43 45 ILE CA C 65.537 0.010 1 437 43 45 ILE CB C 38.238 0.010 1 438 43 45 ILE CG1 C 27.777 0.010 1 439 43 45 ILE CG2 C 17.839 0.010 1 440 43 45 ILE CD1 C 14.455 0.010 1 441 43 45 ILE N N 122.532 0.020 1 442 44 46 GLY H H 7.938 0.003 1 443 44 46 GLY HA3 H 3.936 0.003 2 444 44 46 GLY C C 174.914 0.010 1 445 44 46 GLY CA C 46.363 0.010 1 446 44 46 GLY N N 101.559 0.020 1 447 45 47 VAL H H 6.843 0.003 1 448 45 47 VAL HA H 4.758 0.003 1 449 45 47 VAL HB H 2.609 0.003 1 450 45 47 VAL HG1 H 0.956 0.003 2 451 45 47 VAL HG2 H 0.971 0.003 2 452 45 47 VAL C C 175.397 0.010 1 453 45 47 VAL CA C 60.531 0.010 1 454 45 47 VAL CB C 33.024 0.010 1 455 45 47 VAL CG1 C 20.958 0.010 1 456 45 47 VAL CG2 C 20.958 0.010 1 457 45 47 VAL N N 106.862 0.020 1 458 46 48 THR H H 7.093 0.003 1 459 46 48 THR HA H 4.447 0.003 1 460 46 48 THR HB H 3.510 0.003 1 461 46 48 THR HG2 H 0.836 0.003 1 462 46 48 THR C C 172.087 0.010 1 463 46 48 THR CA C 62.571 0.010 1 464 46 48 THR CB C 68.863 0.010 1 465 46 48 THR CG2 C 22.319 0.010 1 466 46 48 THR N N 117.226 0.020 1 467 47 49 ASP H H 7.612 0.003 1 468 47 49 ASP HA H 4.617 0.003 1 469 47 49 ASP HB2 H 2.723 0.003 2 470 47 49 ASP HB3 H 2.414 0.003 2 471 47 49 ASP C C 174.684 0.010 1 472 47 49 ASP CA C 52.604 0.010 1 473 47 49 ASP CB C 42.737 0.010 1 474 47 49 ASP N N 127.436 0.020 1 475 48 50 PRO HA H 3.989 0.003 1 476 48 50 PRO HB2 H 2.161 0.003 1 477 48 50 PRO HB3 H 1.694 0.003 1 478 48 50 PRO HG2 H 2.012 0.003 1 479 48 50 PRO HG3 H 2.085 0.003 1 480 48 50 PRO HD3 H 3.732 0.003 2 481 48 50 PRO CA C 65.028 0.010 1 482 48 50 PRO CB C 32.280 0.010 1 483 48 50 PRO CG C 27.700 0.010 1 484 48 50 PRO CD C 51.570 0.010 1 485 49 51 THR H H 7.942 0.003 1 486 49 51 THR HA H 4.189 0.003 1 487 49 51 THR HB H 3.791 0.003 1 488 49 51 THR HG2 H 1.164 0.003 1 489 49 51 THR C C 177.000 0.010 1 490 49 51 THR CA C 66.844 0.010 1 491 49 51 THR CB C 67.824 0.010 1 492 49 51 THR CG2 C 21.883 0.010 1 493 49 51 THR N N 114.121 0.020 1 494 50 52 LYS H H 7.070 0.003 1 495 50 52 LYS HA H 3.917 0.003 1 496 50 52 LYS HB2 H 1.570 0.003 2 497 50 52 LYS HB3 H 1.563 0.003 2 498 50 52 LYS HG2 H 1.478 0.003 2 499 50 52 LYS HG3 H 1.476 0.003 2 500 50 52 LYS HD2 H 1.641 0.003 2 501 50 52 LYS HD3 H 1.650 0.003 2 502 50 52 LYS HE2 H 3.000 0.003 2 503 50 52 LYS HE3 H 2.979 0.003 2 504 50 52 LYS C C 177.547 0.010 1 505 50 52 LYS CA C 58.732 0.010 1 506 50 52 LYS CB C 33.315 0.010 1 507 50 52 LYS CG C 25.007 0.010 1 508 50 52 LYS CD C 29.768 0.010 1 509 50 52 LYS CE C 42.044 0.010 1 510 50 52 LYS N N 123.787 0.020 1 511 51 53 LEU H H 7.439 0.003 1 512 51 53 LEU HA H 3.805 0.003 1 513 51 53 LEU HB2 H 1.115 0.003 1 514 51 53 LEU HB3 H 1.816 0.003 1 515 51 53 LEU HG H 1.605 0.003 1 516 51 53 LEU HD1 H 0.746 0.003 2 517 51 53 LEU HD2 H 0.846 0.003 2 518 51 53 LEU C C 178.314 0.010 1 519 51 53 LEU CA C 57.994 0.010 1 520 51 53 LEU CB C 41.216 0.010 1 521 51 53 LEU CG C 25.340 0.010 1 522 51 53 LEU CD1 C 22.588 0.010 1 523 51 53 LEU CD2 C 27.305 0.010 1 524 51 53 LEU N N 115.307 0.020 1 525 52 54 ASN H H 8.533 0.003 1 526 52 54 ASN HA H 4.272 0.003 1 527 52 54 ASN HB2 H 2.756 0.003 1 528 52 54 ASN HB3 H 2.586 0.003 1 529 52 54 ASN HD22 H 7.157 0.003 1 530 52 54 ASN C C 178.387 0.010 1 531 52 54 ASN CA C 55.165 0.010 1 532 52 54 ASN CB C 37.891 0.010 1 533 52 54 ASN N N 115.979 0.020 1 534 52 54 ASN ND2 N 105.781 0.020 1 535 53 55 ALA H H 7.681 0.003 1 536 53 55 ALA HA H 4.230 0.003 1 537 53 55 ALA HB H 1.461 0.003 1 538 53 55 ALA C C 179.957 0.010 1 539 53 55 ALA CA C 54.037 0.010 1 540 53 55 ALA CB C 19.322 0.010 1 541 53 55 ALA N N 119.261 0.020 1 542 54 56 GLN H H 7.905 0.003 1 543 54 56 GLN HA H 4.406 0.003 1 544 54 56 GLN HB2 H 2.270 0.003 1 545 54 56 GLN HB3 H 2.057 0.003 1 546 54 56 GLN HG2 H 2.966 0.003 2 547 54 56 GLN HG3 H 3.004 0.003 2 548 54 56 GLN HE21 H 7.795 0.003 2 549 54 56 GLN HE22 H 7.273 0.003 2 550 54 56 GLN C C 178.500 0.010 1 551 54 56 GLN CA C 57.793 0.010 1 552 54 56 GLN CB C 29.431 0.010 1 553 54 56 GLN CG C 34.900 0.010 1 554 54 56 GLN N N 111.586 0.020 1 555 54 56 GLN NE2 N 108.687 0.020 1 556 55 57 VAL H H 8.137 0.003 1 557 55 57 VAL HA H 4.205 0.003 1 558 55 57 VAL HB H 2.324 0.003 1 559 55 57 VAL HG1 H 0.843 0.003 2 560 55 57 VAL HG2 H 0.750 0.003 2 561 55 57 VAL C C 174.795 0.010 1 562 55 57 VAL CA C 64.682 0.010 1 563 55 57 VAL CB C 30.387 0.010 1 564 55 57 VAL CG1 C 20.464 0.010 1 565 55 57 VAL CG2 C 22.968 0.010 1 566 55 57 VAL N N 120.362 0.020 1 567 56 58 SER H H 7.899 0.003 1 568 56 58 SER HA H 3.882 0.003 1 569 56 58 SER HB2 H 3.325 0.003 2 570 56 58 SER HB3 H 3.231 0.003 2 571 56 58 SER C C 174.256 0.010 1 572 56 58 SER CA C 60.480 0.010 1 573 56 58 SER CB C 62.427 0.010 1 574 56 58 SER N N 114.478 0.020 1 575 57 59 TYR H H 7.662 0.003 1 576 57 59 TYR HA H 4.337 0.003 1 577 57 59 TYR HB2 H 2.599 0.003 1 578 57 59 TYR HB3 H 3.030 0.003 1 579 57 59 TYR HD1 H 7.026 0.003 1 580 57 59 TYR HD2 H 7.026 0.003 1 581 57 59 TYR HE1 H 6.798 0.003 1 582 57 59 TYR HE2 H 6.798 0.003 1 583 57 59 TYR C C 175.570 0.010 1 584 57 59 TYR CA C 58.673 0.010 1 585 57 59 TYR CB C 40.264 0.010 1 586 57 59 TYR CD1 C 133.140 0.010 1 587 57 59 TYR CD2 C 133.140 0.010 1 588 57 59 TYR CE1 C 118.442 0.010 1 589 57 59 TYR CE2 C 118.442 0.010 1 590 57 59 TYR N N 117.315 0.020 1 591 58 60 PHE H H 7.727 0.003 1 592 58 60 PHE HA H 4.406 0.003 1 593 58 60 PHE HB2 H 2.927 0.003 2 594 58 60 PHE HB3 H 2.272 0.003 2 595 58 60 PHE HD1 H 6.565 0.003 1 596 58 60 PHE HD2 H 6.565 0.003 1 597 58 60 PHE HE1 H 6.609 0.003 1 598 58 60 PHE HE2 H 6.609 0.003 1 599 58 60 PHE HZ H 6.641 0.003 1 600 58 60 PHE C C 171.715 0.010 1 601 58 60 PHE CA C 57.489 0.010 1 602 58 60 PHE CB C 41.401 0.010 1 603 58 60 PHE CD1 C 131.869 0.010 1 604 58 60 PHE CD2 C 131.869 0.010 1 605 58 60 PHE N N 118.544 0.020 1 606 59 61 GLN H H 7.909 0.003 1 607 59 61 GLN HA H 3.717 0.003 1 608 59 61 GLN HB2 H 1.613 0.003 1 609 59 61 GLN HB3 H 1.411 0.003 1 610 59 61 GLN HG2 H 1.949 0.003 2 611 59 61 GLN HG3 H 1.945 0.003 2 612 59 61 GLN HE21 H 7.400 0.003 2 613 59 61 GLN HE22 H 6.536 0.003 2 614 59 61 GLN C C 172.421 0.010 1 615 59 61 GLN CA C 54.212 0.010 1 616 59 61 GLN CB C 26.945 0.010 1 617 59 61 GLN CG C 33.659 0.010 1 618 59 61 GLN N N 127.699 0.020 1 619 59 61 GLN NE2 N 112.094 0.020 1 620 60 62 CYS H H 6.802 0.003 1 621 60 62 CYS HA H 3.278 0.003 1 622 60 62 CYS HB2 H 1.446 0.003 2 623 60 62 CYS HB3 H 2.289 0.003 2 624 60 62 CYS C C 171.317 0.010 1 625 60 62 CYS CA C 57.423 0.010 1 626 60 62 CYS CB C 26.588 0.010 1 627 60 62 CYS N N 125.668 0.020 1 628 61 63 PRO HB2 H 2.065 0.003 1 629 61 63 PRO HB3 H 1.808 0.003 1 630 61 63 PRO HG2 H 2.100 0.003 1 631 62 64 PRO HA H 4.102 0.003 1 632 62 64 PRO HB2 H 2.143 0.003 2 633 62 64 PRO HB3 H 2.354 0.003 2 634 62 64 PRO HG2 H 1.832 0.003 2 635 62 64 PRO HG3 H 2.065 0.003 2 636 62 64 PRO HD2 H 3.540 0.003 1 637 62 64 PRO HD3 H 3.590 0.003 1 638 62 64 PRO CA C 64.470 0.010 1 639 62 64 PRO CB C 31.620 0.010 1 640 62 64 PRO CG C 27.932 0.010 1 641 62 64 PRO CD C 50.988 0.010 1 642 63 65 TRP H H 6.172 0.003 1 643 63 65 TRP HA H 4.432 0.003 1 644 63 65 TRP HB2 H 2.817 0.003 1 645 63 65 TRP HB3 H 3.074 0.003 1 646 63 65 TRP HD1 H 7.404 0.003 1 647 63 65 TRP HE1 H 10.565 0.003 1 648 63 65 TRP HZ2 H 7.474 0.003 1 649 63 65 TRP HZ3 H 6.717 0.003 1 650 63 65 TRP HH2 H 6.908 0.003 1 651 63 65 TRP C C 176.764 0.010 1 652 63 65 TRP CA C 54.009 0.010 1 653 63 65 TRP CB C 28.358 0.010 1 654 63 65 TRP CD1 C 129.565 0.010 1 655 63 65 TRP CZ2 C 114.472 0.010 1 656 63 65 TRP CZ3 C 120.859 0.010 1 657 63 65 TRP CH2 C 123.330 0.010 1 658 63 65 TRP N N 110.609 0.020 1 659 63 65 TRP NE1 N 132.364 0.020 1 660 64 66 ALA H H 7.038 0.003 1 661 64 66 ALA HA H 5.416 0.003 1 662 64 66 ALA HB H 0.971 0.003 1 663 64 66 ALA C C 176.025 0.010 1 664 64 66 ALA CA C 51.637 0.010 1 665 64 66 ALA CB C 21.355 0.010 1 666 64 66 ALA N N 124.983 0.020 1 667 65 67 ALA H H 8.344 0.003 1 668 65 67 ALA HA H 4.605 0.003 1 669 65 67 ALA HB H 1.447 0.003 1 670 65 67 ALA C C 175.012 0.010 1 671 65 67 ALA CA C 50.868 0.010 1 672 65 67 ALA CB C 23.722 0.010 1 673 65 67 ALA N N 120.111 0.020 1 674 66 68 LEU H H 8.272 0.003 1 675 66 68 LEU HA H 3.983 0.003 1 676 66 68 LEU HB2 H 1.533 0.003 2 677 66 68 LEU HB3 H 1.383 0.003 2 678 66 68 LEU HG H 1.444 0.003 1 679 66 68 LEU HD1 H 0.847 0.003 2 680 66 68 LEU HD2 H 0.794 0.003 2 681 66 68 LEU CA C 53.187 0.010 1 682 66 68 LEU CB C 42.535 0.010 1 683 66 68 LEU CG C 26.277 0.010 1 684 66 68 LEU CD1 C 25.078 0.010 1 685 66 68 LEU CD2 C 23.870 0.010 1 686 66 68 LEU N N 118.667 0.020 1 687 67 69 PRO HA H 3.151 0.003 1 688 67 69 PRO HB2 H 1.472 0.003 1 689 67 69 PRO HB3 H 1.802 0.003 1 690 67 69 PRO HG2 H 1.336 0.003 2 691 67 69 PRO HG3 H 1.336 0.003 2 692 67 69 PRO HD2 H 2.921 0.003 2 693 67 69 PRO HD3 H 2.921 0.003 2 694 67 69 PRO CA C 63.120 0.010 1 695 67 69 PRO CB C 31.810 0.010 1 696 67 69 PRO CG C 28.260 0.010 1 697 68 70 SER H H 6.468 0.003 1 698 68 70 SER HA H 4.197 0.003 1 699 68 70 SER HB2 H 4.052 0.003 2 700 68 70 SER HB3 H 3.797 0.003 2 701 68 70 SER C C 173.454 0.010 1 702 68 70 SER CA C 57.667 0.010 1 703 68 70 SER CB C 63.129 0.010 1 704 68 70 SER N N 118.916 0.020 1 705 69 71 VAL H H 6.702 0.003 1 706 69 71 VAL HA H 4.206 0.003 1 707 69 71 VAL HB H 1.917 0.003 1 708 69 71 VAL HG1 H 0.923 0.003 2 709 69 71 VAL HG2 H 0.911 0.003 2 710 69 71 VAL C C 174.162 0.010 1 711 69 71 VAL CA C 60.536 0.010 1 712 69 71 VAL CB C 34.809 0.010 1 713 69 71 VAL CG1 C 20.950 0.010 1 714 69 71 VAL CG2 C 20.950 0.010 1 715 69 71 VAL N N 119.159 0.020 1 716 70 72 ALA H H 8.486 0.003 1 717 70 72 ALA HA H 4.224 0.003 1 718 70 72 ALA HB H 1.220 0.003 1 719 70 72 ALA C C 176.888 0.010 1 720 70 72 ALA CA C 52.890 0.010 1 721 70 72 ALA CB C 18.718 0.010 1 722 70 72 ALA N N 128.571 0.020 1 723 71 73 CYS H H 8.222 0.003 1 724 71 73 CYS HA H 5.446 0.003 1 725 71 73 CYS HB2 H 2.948 0.003 1 726 71 73 CYS HB3 H 2.979 0.003 1 727 71 73 CYS C C 173.126 0.010 1 728 71 73 CYS CA C 58.111 0.010 1 729 71 73 CYS CB C 31.733 0.010 1 730 71 73 CYS N N 120.365 0.020 1 731 72 74 HIS H H 9.033 0.003 1 732 72 74 HIS HA H 4.853 0.003 1 733 72 74 HIS HB2 H 2.757 0.003 1 734 72 74 HIS HB3 H 2.805 0.003 1 735 72 74 HIS HD2 H 6.376 0.003 1 736 72 74 HIS HE1 H 7.439 0.003 1 737 72 74 HIS CA C 54.934 0.010 1 738 72 74 HIS CB C 31.458 0.010 1 739 72 74 HIS CD2 C 126.583 0.010 1 740 72 74 HIS CE1 C 139.523 0.010 1 741 72 74 HIS N N 114.002 0.020 1 742 73 75 LEU H H 9.300 0.003 1 743 73 75 LEU HA H 5.023 0.003 1 744 73 75 LEU HB2 H 1.332 0.003 1 745 73 75 LEU HB3 H 1.847 0.003 1 746 73 75 LEU HG H 1.505 0.003 1 747 73 75 LEU HD1 H 0.619 0.003 2 748 73 75 LEU HD2 H 0.482 0.003 2 749 73 75 LEU C C 176.776 0.010 1 750 73 75 LEU CA C 52.634 0.010 1 751 73 75 LEU CB C 42.362 0.010 1 752 73 75 LEU CG C 27.527 0.010 1 753 73 75 LEU CD1 C 25.766 0.010 1 754 73 75 LEU CD2 C 24.874 0.010 1 755 73 75 LEU N N 117.312 0.020 1 756 74 76 GLN H H 9.117 0.003 1 757 74 76 GLN HA H 4.585 0.003 1 758 74 76 GLN HB2 H 2.027 0.003 1 759 74 76 GLN HB3 H 1.945 0.003 1 760 74 76 GLN HG2 H 2.447 0.003 1 761 74 76 GLN HG3 H 2.161 0.003 1 762 74 76 GLN HE21 H 7.698 0.003 1 763 74 76 GLN HE22 H 6.746 0.003 1 764 74 76 GLN C C 175.495 0.010 1 765 74 76 GLN CA C 54.965 0.010 1 766 74 76 GLN CB C 30.517 0.010 1 767 74 76 GLN CG C 34.138 0.010 1 768 74 76 GLN N N 125.734 0.020 1 769 74 76 GLN NE2 N 111.840 0.020 1 770 75 77 CYS H H 9.362 0.003 1 771 75 77 CYS HA H 5.047 0.003 1 772 75 77 CYS HB2 H 2.353 0.003 2 773 75 77 CYS HB3 H 2.263 0.003 2 774 75 77 CYS C C 173.524 0.010 1 775 75 77 CYS CA C 57.494 0.010 1 776 75 77 CYS CB C 29.293 0.010 1 777 75 77 CYS N N 129.141 0.020 1 778 76 78 THR H H 8.477 0.003 1 779 76 78 THR HA H 5.014 0.003 1 780 76 78 THR HB H 3.563 0.003 1 781 76 78 THR HG2 H 0.856 0.003 1 782 76 78 THR C C 172.958 0.010 1 783 76 78 THR CA C 59.790 0.010 1 784 76 78 THR CB C 72.870 0.010 1 785 76 78 THR CG2 C 21.968 0.010 1 786 76 78 THR N N 120.173 0.020 1 787 77 79 ARG H H 8.769 0.003 1 788 77 79 ARG HA H 4.412 0.003 1 789 77 79 ARG HB2 H 1.591 0.003 2 790 77 79 ARG HB3 H 1.595 0.003 2 791 77 79 ARG HG2 H 1.275 0.003 1 792 77 79 ARG HG3 H 1.282 0.003 1 793 77 79 ARG HD2 H 2.901 0.003 2 794 77 79 ARG HD3 H 3.029 0.003 2 795 77 79 ARG C C 175.808 0.010 1 796 77 79 ARG CA C 55.721 0.010 1 797 77 79 ARG CB C 33.164 0.010 1 798 77 79 ARG CG C 27.010 0.010 1 799 77 79 ARG CD C 43.107 0.010 1 800 77 79 ARG N N 121.783 0.020 1 801 78 80 ASP H H 9.499 0.003 1 802 78 80 ASP HA H 4.190 0.003 1 803 78 80 ASP HB2 H 2.899 0.003 2 804 78 80 ASP HB3 H 2.569 0.003 2 805 78 80 ASP C C 175.472 0.010 1 806 78 80 ASP CA C 55.709 0.010 1 807 78 80 ASP CB C 39.661 0.010 1 808 78 80 ASP N N 130.879 0.020 1 809 79 81 GLY H H 8.361 0.003 1 810 79 81 GLY HA2 H 3.415 0.003 1 811 79 81 GLY HA3 H 4.133 0.003 1 812 79 81 GLY C C 173.613 0.010 1 813 79 81 GLY CA C 44.962 0.010 1 814 79 81 GLY N N 102.423 0.020 1 815 80 82 LEU H H 7.775 0.003 1 816 80 82 LEU HA H 4.987 0.003 1 817 80 82 LEU HB2 H 1.713 0.003 1 818 80 82 LEU HB3 H 1.562 0.003 1 819 80 82 LEU HG H 1.619 0.003 1 820 80 82 LEU HD1 H 0.856 0.003 2 821 80 82 LEU HD2 H 0.916 0.003 2 822 80 82 LEU C C 174.659 0.010 1 823 80 82 LEU CA C 52.190 0.010 1 824 80 82 LEU CB C 42.053 0.010 1 825 80 82 LEU CG C 27.252 0.010 1 826 80 82 LEU CD1 C 24.947 0.010 1 827 80 82 LEU CD2 C 24.422 0.010 1 828 80 82 LEU N N 123.754 0.020 1 829 81 83 PRO HA H 4.567 0.003 1 830 81 83 PRO HB2 H 2.138 0.003 2 831 81 83 PRO HG2 H 1.854 0.003 2 832 81 83 PRO HD3 H 3.495 0.003 2 833 81 83 PRO CA C 62.860 0.010 1 834 81 83 PRO CB C 32.460 0.010 1 835 81 83 PRO CG C 27.270 0.010 1 836 81 83 PRO CD C 50.710 0.010 1 837 82 84 LEU H H 8.131 0.003 1 838 82 84 LEU HA H 4.989 0.003 1 839 82 84 LEU HB2 H 1.535 0.003 1 840 82 84 LEU HB3 H 1.531 0.003 1 841 82 84 LEU HG H 1.597 0.003 1 842 82 84 LEU HD1 H 0.793 0.003 1 843 82 84 LEU HD2 H 0.862 0.003 1 844 82 84 LEU C C 174.148 0.010 1 845 82 84 LEU CA C 52.635 0.010 1 846 82 84 LEU CB C 43.001 0.010 1 847 82 84 LEU CG C 27.210 0.010 1 848 82 84 LEU CD1 C 23.749 0.010 1 849 82 84 LEU CD2 C 25.059 0.010 1 850 82 84 LEU N N 126.089 0.020 1 851 83 85 PRO HA H 4.190 0.003 1 852 83 85 PRO HB2 H 2.328 0.003 2 853 83 85 PRO CA C 63.840 0.010 1 854 83 85 PRO CB C 32.080 0.010 1 855 84 86 ALA H H 8.063 0.003 1 856 84 86 ALA HA H 4.191 0.003 1 857 84 86 ALA HB H 1.306 0.003 1 858 84 86 ALA C C 178.112 0.010 1 859 84 86 ALA CA C 51.754 0.010 1 860 84 86 ALA CB C 21.142 0.010 1 861 84 86 ALA N N 123.359 0.020 1 862 85 87 LEU H H 8.393 0.003 1 863 85 87 LEU HA H 4.633 0.003 1 864 85 87 LEU HB2 H 0.404 0.003 1 865 85 87 LEU HB3 H 1.338 0.003 1 866 85 87 LEU HG H 1.509 0.003 1 867 85 87 LEU HD1 H 0.621 0.003 1 868 85 87 LEU HD2 H 0.460 0.003 1 869 85 87 LEU C C 177.225 0.010 1 870 85 87 LEU CA C 53.358 0.010 1 871 85 87 LEU CB C 42.169 0.010 1 872 85 87 LEU CG C 27.312 0.010 1 873 85 87 LEU CD1 C 24.923 0.010 1 874 85 87 LEU CD2 C 23.228 0.010 1 875 85 87 LEU N N 118.757 0.020 1 876 86 88 GLY H H 9.046 0.003 1 877 86 88 GLY HA2 H 3.836 0.003 1 878 86 88 GLY HA3 H 4.156 0.003 1 879 86 88 GLY C C 173.704 0.010 1 880 86 88 GLY CA C 46.880 0.010 1 881 86 88 GLY N N 112.143 0.020 1 882 87 89 LEU H H 7.934 0.003 1 883 87 89 LEU HA H 4.531 0.003 1 884 87 89 LEU HB2 H 1.080 0.003 2 885 87 89 LEU HB3 H 1.695 0.003 2 886 87 89 LEU HG H 1.112 0.003 1 887 87 89 LEU HD1 H -0.002 0.003 2 888 87 89 LEU HD2 H 0.014 0.003 2 889 87 89 LEU C C 177.568 0.010 1 890 87 89 LEU CA C 53.959 0.010 1 891 87 89 LEU CB C 42.911 0.010 1 892 87 89 LEU CG C 26.631 0.010 1 893 87 89 LEU CD1 C 22.156 0.010 1 894 87 89 LEU CD2 C 25.495 0.010 1 895 87 89 LEU N N 123.289 0.020 1 896 88 90 HIS H H 9.253 0.003 1 897 88 90 HIS HA H 4.871 0.003 1 898 88 90 HIS HB2 H 3.331 0.003 1 899 88 90 HIS HB3 H 3.016 0.003 1 900 88 90 HIS HD2 H 6.968 0.003 1 901 88 90 HIS HE1 H 7.745 0.003 1 902 88 90 HIS CA C 57.568 0.010 1 903 88 90 HIS CB C 31.776 0.010 1 904 88 90 HIS CD2 C 117.655 0.010 1 905 88 90 HIS CE1 C 138.618 0.010 1 906 88 90 HIS N N 116.221 0.020 1 907 89 91 ARG H H 7.300 0.003 1 908 89 91 ARG HA H 4.040 0.003 1 909 89 91 ARG HB2 H 0.695 0.003 1 910 89 91 ARG HB3 H 0.899 0.003 1 911 89 91 ARG HG2 H 0.585 0.003 2 912 89 91 ARG HD2 H 2.773 0.003 2 913 89 91 ARG HD3 H 2.656 0.003 2 914 89 91 ARG C C 175.205 0.010 1 915 89 91 ARG CA C 57.531 0.010 1 916 89 91 ARG CB C 31.803 0.010 1 917 89 91 ARG CG C 26.315 0.010 1 918 89 91 ARG CD C 43.144 0.010 1 919 89 91 ARG N N 118.280 0.020 1 920 90 92 PHE H H 7.252 0.003 1 921 90 92 PHE HA H 5.403 0.003 1 922 90 92 PHE HB2 H 1.808 0.003 1 923 90 92 PHE HB3 H 2.419 0.003 1 924 90 92 PHE HD1 H 6.754 0.003 1 925 90 92 PHE HD2 H 6.754 0.003 1 926 90 92 PHE HE1 H 7.305 0.003 1 927 90 92 PHE HE2 H 7.305 0.003 1 928 90 92 PHE HZ H 7.213 0.003 1 929 90 92 PHE C C 172.663 0.010 1 930 90 92 PHE CA C 52.355 0.010 1 931 90 92 PHE CB C 41.110 0.010 1 932 90 92 PHE CD1 C 131.392 0.010 1 933 90 92 PHE CD2 C 131.392 0.010 1 934 90 92 PHE CE1 C 131.671 0.010 1 935 90 92 PHE CE2 C 131.671 0.010 1 936 90 92 PHE CZ C 129.979 0.010 1 937 90 92 PHE N N 113.880 0.020 1 938 91 93 PRO HA H 4.849 0.003 1 939 91 93 PRO HB2 H 2.208 0.003 1 940 91 93 PRO HB3 H 1.832 0.003 1 941 91 93 PRO CA C 63.340 0.010 1 942 91 93 PRO CB C 32.970 0.010 1 943 91 93 PRO CG C 27.520 0.010 1 944 91 93 PRO CD C 50.682 0.010 1 945 92 94 PHE H H 6.117 0.003 1 946 92 94 PHE HA H 5.973 0.003 1 947 92 94 PHE HB2 H 2.714 0.003 1 948 92 94 PHE HB3 H 3.243 0.003 1 949 92 94 PHE HD1 H 6.814 0.003 1 950 92 94 PHE HD2 H 6.814 0.003 1 951 92 94 PHE HE1 H 7.252 0.003 1 952 92 94 PHE HE2 H 7.252 0.003 1 953 92 94 PHE HZ H 7.053 0.003 1 954 92 94 PHE C C 172.347 0.010 1 955 92 94 PHE CA C 55.360 0.010 1 956 92 94 PHE CB C 41.747 0.010 1 957 92 94 PHE N N 104.480 0.020 1 958 93 95 TYR H H 9.370 0.003 1 959 93 95 TYR HA H 4.369 0.003 1 960 93 95 TYR HB2 H 2.740 0.003 2 961 93 95 TYR HB3 H 2.361 0.003 2 962 93 95 TYR HE1 H 7.036 0.003 1 963 93 95 TYR HE2 H 7.036 0.003 1 964 93 95 TYR C C 173.417 0.010 1 965 93 95 TYR CA C 57.388 0.010 1 966 93 95 TYR CB C 43.450 0.010 1 967 93 95 TYR CE1 C 119.514 0.010 1 968 93 95 TYR CE2 C 119.514 0.010 1 969 93 95 TYR N N 120.959 0.020 1 970 94 96 LEU H H 10.272 0.003 1 971 94 96 LEU HA H 5.083 0.003 1 972 94 96 LEU HB2 H 1.472 0.003 2 973 94 96 LEU HB3 H 1.605 0.003 2 974 94 96 LEU HG H 1.666 0.003 1 975 94 96 LEU HD1 H 0.816 0.003 2 976 94 96 LEU HD2 H 0.635 0.003 2 977 94 96 LEU C C 176.045 0.010 1 978 94 96 LEU CA C 54.107 0.010 1 979 94 96 LEU CB C 45.173 0.010 1 980 94 96 LEU CG C 28.609 0.010 1 981 94 96 LEU CD1 C 25.370 0.010 1 982 94 96 LEU CD2 C 24.435 0.010 1 983 94 96 LEU N N 123.359 0.020 1 984 95 97 PHE H H 8.761 0.003 1 985 95 97 PHE HA H 5.237 0.003 1 986 95 97 PHE HB2 H 2.249 0.003 1 987 95 97 PHE HB3 H 2.094 0.003 1 988 95 97 PHE HD1 H 7.475 0.003 1 989 95 97 PHE HD2 H 7.475 0.003 1 990 95 97 PHE HE1 H 6.906 0.003 1 991 95 97 PHE HE2 H 6.906 0.003 1 992 95 97 PHE HZ H 6.717 0.003 1 993 95 97 PHE C C 175.870 0.010 1 994 95 97 PHE CA C 55.769 0.010 1 995 95 97 PHE CB C 42.330 0.010 1 996 95 97 PHE CD1 C 131.944 0.010 1 997 95 97 PHE CD2 C 131.944 0.010 1 998 95 97 PHE CE1 C 132.725 0.010 1 999 95 97 PHE CE2 C 132.725 0.010 1 1000 95 97 PHE CZ C 128.452 0.010 1 1001 95 97 PHE N N 119.493 0.020 1 1002 96 98 GLY H H 7.966 0.003 1 1003 96 98 GLY HA2 H 4.416 0.003 1 1004 96 98 GLY HA3 H 3.674 0.003 1 1005 96 98 GLY C C 170.712 0.010 1 1006 96 98 GLY CA C 46.386 0.010 1 1007 96 98 GLY N N 109.374 0.020 1 1008 97 99 ARG H H 8.147 0.003 1 1009 97 99 ARG HA H 4.649 0.003 1 1010 97 99 ARG HB2 H 1.749 0.003 2 1011 97 99 ARG HB3 H 1.480 0.003 2 1012 97 99 ARG HG2 H 1.538 0.003 2 1013 97 99 ARG HD2 H 3.139 0.003 1 1014 97 99 ARG HD3 H 3.193 0.003 1 1015 97 99 ARG C C 177.225 0.010 1 1016 97 99 ARG CA C 57.499 0.010 1 1017 97 99 ARG CB C 31.874 0.010 1 1018 97 99 ARG CG C 28.169 0.010 1 1019 97 99 ARG CD C 43.815 0.010 1 1020 97 99 ARG N N 119.683 0.020 1 1021 98 100 SER H H 9.133 0.003 1 1022 98 100 SER HA H 4.337 0.003 1 1023 98 100 SER HB2 H 3.422 0.003 2 1024 98 100 SER HB3 H 3.783 0.003 2 1025 98 100 SER C C 176.172 0.010 1 1026 98 100 SER CA C 57.909 0.010 1 1027 98 100 SER CB C 63.085 0.010 1 1028 98 100 SER N N 113.711 0.020 1 1029 99 101 LYS H H 8.451 0.003 1 1030 99 101 LYS HA H 3.944 0.003 1 1031 99 101 LYS HB2 H 1.693 0.003 1 1032 99 101 LYS HB3 H 1.753 0.003 1 1033 99 101 LYS HG2 H 1.462 0.003 2 1034 99 101 LYS HG3 H 1.385 0.003 2 1035 99 101 LYS HD2 H 1.638 0.003 2 1036 99 101 LYS HD3 H 1.634 0.003 2 1037 99 101 LYS HE2 H 2.930 0.003 2 1038 99 101 LYS HE3 H 2.936 0.003 2 1039 99 101 LYS C C 176.548 0.010 1 1040 99 101 LYS CA C 58.193 0.010 1 1041 99 101 LYS CB C 31.661 0.010 1 1042 99 101 LYS CG C 24.966 0.010 1 1043 99 101 LYS CD C 29.176 0.010 1 1044 99 101 LYS CE C 42.019 0.010 1 1045 99 101 LYS N N 124.590 0.020 1 1046 100 102 VAL H H 7.512 0.003 1 1047 100 102 VAL HA H 3.898 0.003 1 1048 100 102 VAL HB H 1.878 0.003 1 1049 100 102 VAL HG1 H 0.601 0.003 1 1050 100 102 VAL HG2 H 0.687 0.003 1 1051 100 102 VAL C C 176.832 0.010 1 1052 100 102 VAL CA C 62.964 0.010 1 1053 100 102 VAL CB C 31.693 0.010 1 1054 100 102 VAL CG1 C 20.523 0.010 1 1055 100 102 VAL CG2 C 20.956 0.010 1 1056 100 102 VAL N N 114.126 0.020 1 1057 101 103 CYS H H 7.641 0.003 1 1058 101 103 CYS HA H 3.487 0.003 1 1059 101 103 CYS HB2 H 2.491 0.003 2 1060 101 103 CYS HB3 H 2.592 0.003 2 1061 101 103 CYS C C 172.156 0.010 1 1062 101 103 CYS CA C 61.155 0.010 1 1063 101 103 CYS CB C 26.848 0.010 1 1064 101 103 CYS N N 119.359 0.020 1 1065 102 104 ASP H H 7.367 0.003 1 1066 102 104 ASP HA H 3.929 0.003 1 1067 102 104 ASP HB2 H 2.237 0.003 2 1068 102 104 ASP HB3 H 2.125 0.003 2 1069 102 104 ASP C C 175.410 0.010 1 1070 102 104 ASP CA C 57.029 0.010 1 1071 102 104 ASP CB C 42.928 0.010 1 1072 102 104 ASP N N 118.734 0.020 1 1073 103 105 TYR H H 7.111 0.003 1 1074 103 105 TYR HA H 5.232 0.003 1 1075 103 105 TYR HB2 H 2.708 0.003 1 1076 103 105 TYR HB3 H 2.696 0.003 1 1077 103 105 TYR HE1 H 6.615 0.003 1 1078 103 105 TYR HE2 H 6.615 0.003 1 1079 103 105 TYR C C 172.997 0.010 1 1080 103 105 TYR CA C 57.354 0.010 1 1081 103 105 TYR CB C 39.280 0.010 1 1082 103 105 TYR CE1 C 118.106 0.010 1 1083 103 105 TYR CE2 C 118.106 0.010 1 1084 103 105 TYR N N 114.004 0.020 1 1085 104 106 VAL H H 8.210 0.003 1 1086 104 106 VAL HA H 4.525 0.003 1 1087 104 106 VAL HB H 1.800 0.003 1 1088 104 106 VAL HG1 H 0.730 0.003 2 1089 104 106 VAL HG2 H 0.693 0.003 2 1090 104 106 VAL C C 176.491 0.010 1 1091 104 106 VAL CA C 61.221 0.010 1 1092 104 106 VAL CB C 31.806 0.010 1 1093 104 106 VAL CG1 C 22.306 0.010 1 1094 104 106 VAL CG2 C 21.367 0.010 1 1095 104 106 VAL N N 124.660 0.020 1 1096 105 107 LEU H H 8.217 0.003 1 1097 105 107 LEU HA H 4.567 0.003 1 1098 105 107 LEU HB2 H 1.386 0.003 2 1099 105 107 LEU HB3 H 1.309 0.003 2 1100 105 107 LEU HG H 1.576 0.003 1 1101 105 107 LEU HD1 H 0.334 0.003 1 1102 105 107 LEU HD2 H 0.718 0.003 1 1103 105 107 LEU C C 175.794 0.010 1 1104 105 107 LEU CA C 52.858 0.010 1 1105 105 107 LEU CB C 43.199 0.010 1 1106 105 107 LEU CG C 27.334 0.010 1 1107 105 107 LEU CD1 C 26.353 0.010 1 1108 105 107 LEU CD2 C 22.623 0.010 1 1109 105 107 LEU N N 130.546 0.020 1 1110 106 108 GLU H H 8.219 0.003 1 1111 106 108 GLU HA H 4.249 0.003 1 1112 106 108 GLU HB2 H 1.871 0.003 2 1113 106 108 GLU HB3 H 2.065 0.003 2 1114 106 108 GLU HG3 H 2.125 0.003 2 1115 106 108 GLU C C 176.698 0.010 1 1116 106 108 GLU CA C 56.653 0.010 1 1117 106 108 GLU CB C 31.150 0.010 1 1118 106 108 GLU CG C 36.907 0.010 1 1119 106 108 GLU N N 117.285 0.020 1 1120 107 109 HIS H H 7.703 0.003 1 1121 107 109 HIS HA H 3.851 0.003 1 1122 107 109 HIS HB2 H 2.771 0.003 1 1123 107 109 HIS HB3 H 2.734 0.003 1 1124 107 109 HIS HD2 H 8.009 0.003 1 1125 107 109 HIS HE1 H 7.980 0.003 1 1126 107 109 HIS CA C 58.239 0.010 1 1127 107 109 HIS CB C 31.919 0.010 1 1128 107 109 HIS CD2 C 120.960 0.010 1 1129 107 109 HIS CE1 C 138.859 0.010 1 1130 107 109 HIS N N 123.685 0.020 1 1131 108 110 PRO HA H 4.140 0.003 1 1132 108 110 PRO HB2 H 2.187 0.003 2 1133 108 110 PRO HB3 H 1.838 0.003 2 1134 108 110 PRO HG2 H 1.791 0.003 1 1135 108 110 PRO HD2 H 3.558 0.003 1 1136 108 110 PRO HD3 H 3.749 0.003 1 1137 108 110 PRO CA C 64.650 0.010 1 1138 108 110 PRO CB C 32.020 0.010 1 1139 108 110 PRO CG C 27.690 0.010 1 1140 108 110 PRO CD C 50.630 0.010 1 1141 109 111 SER H H 9.035 0.003 1 1142 109 111 SER HA H 4.326 0.003 1 1143 109 111 SER HB2 H 3.785 0.003 2 1144 109 111 SER HB3 H 3.758 0.003 2 1145 109 111 SER C C 174.553 0.010 1 1146 109 111 SER CA C 59.214 0.010 1 1147 109 111 SER CB C 64.953 0.010 1 1148 109 111 SER N N 114.134 0.020 1 1149 110 112 ILE H H 8.103 0.003 1 1150 110 112 ILE HA H 4.219 0.003 1 1151 110 112 ILE HB H 2.084 0.003 1 1152 110 112 ILE HG12 H 0.914 0.003 1 1153 110 112 ILE HG13 H 1.471 0.003 1 1154 110 112 ILE HG2 H 0.951 0.003 1 1155 110 112 ILE HD1 H 0.515 0.003 1 1156 110 112 ILE C C 175.968 0.010 1 1157 110 112 ILE CA C 59.903 0.010 1 1158 110 112 ILE CB C 36.738 0.010 1 1159 110 112 ILE CG1 C 29.152 0.010 1 1160 110 112 ILE CG2 C 17.334 0.010 1 1161 110 112 ILE CD1 C 12.951 0.010 1 1162 110 112 ILE N N 128.498 0.020 1 1163 111 113 SER H H 11.497 0.003 1 1164 111 113 SER HA H 4.207 0.003 1 1165 111 113 SER HB2 H 3.651 0.003 2 1166 111 113 SER HB3 H 3.574 0.003 2 1167 111 113 SER C C 174.300 0.010 1 1168 111 113 SER CA C 60.844 0.010 1 1169 111 113 SER CB C 64.891 0.010 1 1170 111 113 SER N N 127.509 0.020 1 1171 112 114 SER H H 9.135 0.003 1 1172 112 114 SER HA H 4.208 0.003 1 1173 112 114 SER HB2 H 3.816 0.003 2 1174 112 114 SER HB3 H 3.901 0.003 2 1175 112 114 SER C C 174.250 0.010 1 1176 112 114 SER CA C 63.258 0.010 1 1177 112 114 SER CB C 62.194 0.010 1 1178 112 114 SER N N 120.261 0.020 1 1179 113 115 VAL H H 7.781 0.003 1 1180 113 115 VAL HA H 3.653 0.003 1 1181 113 115 VAL HB H 1.759 0.003 1 1182 113 115 VAL HG1 H 0.619 0.003 2 1183 113 115 VAL HG2 H 0.102 0.003 2 1184 113 115 VAL C C 173.570 0.010 1 1185 113 115 VAL CA C 64.376 0.010 1 1186 113 115 VAL CB C 32.216 0.010 1 1187 113 115 VAL CG1 C 22.728 0.010 1 1188 113 115 VAL CG2 C 20.227 0.010 1 1189 113 115 VAL N N 118.006 0.020 1 1190 114 116 HIS H H 8.875 0.003 1 1191 114 116 HIS HA H 4.194 0.003 1 1192 114 116 HIS HB2 H 3.034 0.003 1 1193 114 116 HIS HB3 H 3.022 0.003 1 1194 114 116 HIS HD2 H 6.525 0.003 1 1195 114 116 HIS HE1 H 7.821 0.003 1 1196 114 116 HIS CA C 59.422 0.010 1 1197 114 116 HIS CB C 36.055 0.010 1 1198 114 116 HIS CD2 C 115.353 0.010 1 1199 114 116 HIS CE1 C 138.146 0.010 1 1200 114 116 HIS N N 128.080 0.020 1 1201 115 117 ALA H H 8.250 0.003 1 1202 115 117 ALA HA H 5.231 0.003 1 1203 115 117 ALA HB H 1.485 0.003 1 1204 115 117 ALA C C 173.729 0.010 1 1205 115 117 ALA CA C 50.958 0.010 1 1206 115 117 ALA CB C 24.604 0.010 1 1207 115 117 ALA N N 114.264 0.020 1 1208 116 118 VAL H H 8.808 0.003 1 1209 116 118 VAL HA H 5.858 0.003 1 1210 116 118 VAL HB H 1.506 0.003 1 1211 116 118 VAL HG1 H 0.568 0.003 1 1212 116 118 VAL HG2 H 0.339 0.003 1 1213 116 118 VAL C C 173.135 0.010 1 1214 116 118 VAL CA C 57.808 0.010 1 1215 116 118 VAL CB C 36.180 0.010 1 1216 116 118 VAL CG1 C 20.546 0.010 1 1217 116 118 VAL CG2 C 21.916 0.010 1 1218 116 118 VAL N N 116.683 0.020 1 1219 117 119 LEU H H 8.799 0.003 1 1220 117 119 LEU HA H 5.754 0.003 1 1221 117 119 LEU HB2 H 1.614 0.003 2 1222 117 119 LEU HB3 H 1.792 0.003 2 1223 117 119 LEU HG H 0.634 0.003 1 1224 117 119 LEU HD1 H 0.791 0.003 1 1225 117 119 LEU HD2 H 0.854 0.003 1 1226 117 119 LEU C C 174.233 0.010 1 1227 117 119 LEU CA C 53.912 0.010 1 1228 117 119 LEU CB C 46.129 0.010 1 1229 117 119 LEU CG C 27.098 0.010 1 1230 117 119 LEU CD1 C 25.788 0.010 1 1231 117 119 LEU CD2 C 23.180 0.010 1 1232 117 119 LEU N N 124.933 0.020 1 1233 118 120 VAL H H 10.009 0.003 1 1234 118 120 VAL HA H 5.437 0.003 1 1235 118 120 VAL HB H 2.243 0.003 1 1236 118 120 VAL HG1 H 1.163 0.003 1 1237 118 120 VAL HG2 H 1.157 0.003 1 1238 118 120 VAL C C 174.261 0.010 1 1239 118 120 VAL CA C 59.238 0.010 1 1240 118 120 VAL CB C 35.069 0.010 1 1241 118 120 VAL CG1 C 22.694 0.010 1 1242 118 120 VAL CG2 C 22.811 0.010 1 1243 118 120 VAL N N 123.453 0.020 1 1244 119 121 PHE H H 9.544 0.003 1 1245 119 121 PHE HA H 3.846 0.003 1 1246 119 121 PHE HB2 H 2.324 0.003 2 1247 119 121 PHE HB3 H 4.017 0.003 2 1248 119 121 PHE C C 172.828 0.010 1 1249 119 121 PHE CA C 60.289 0.010 1 1250 119 121 PHE CB C 37.640 0.010 1 1251 119 121 PHE N N 132.016 0.020 1 1252 120 122 HIS H H 8.365 0.003 1 1253 120 122 HIS HA H 3.844 0.003 1 1254 120 122 HIS HB2 H 2.574 0.003 1 1255 120 122 HIS HB3 H 3.112 0.003 1 1256 120 122 HIS HD2 H 5.378 0.003 1 1257 120 122 HIS HE1 H 7.701 0.003 1 1258 120 122 HIS CA C 55.828 0.010 1 1259 120 122 HIS CB C 32.276 0.010 1 1260 120 122 HIS CD2 C 117.966 0.010 1 1261 120 122 HIS CE1 C 138.541 0.010 1 1262 120 122 HIS N N 130.718 0.020 1 1263 121 123 GLY H H 8.150 0.003 1 1264 121 123 GLY HA2 H 3.847 0.003 1 1265 121 123 GLY C C 174.992 0.010 1 1266 121 123 GLY CA C 47.970 0.010 1 1267 121 123 GLY N N 111.906 0.020 1 1268 122 124 GLY H H 9.055 0.003 1 1269 122 124 GLY HA3 H 4.016 0.003 2 1270 122 124 GLY C C 175.834 0.010 1 1271 122 124 GLY CA C 46.396 0.010 1 1272 122 124 GLY N N 111.156 0.020 1 1273 123 125 GLN H H 9.270 0.003 1 1274 123 125 GLN HA H 3.934 0.003 1 1275 123 125 GLN HB2 H 1.180 0.003 2 1276 123 125 GLN HB3 H 1.885 0.003 2 1277 123 125 GLN HG2 H 1.398 0.003 2 1278 123 125 GLN HG3 H 1.678 0.003 2 1279 123 125 GLN HE21 H 6.108 0.003 1 1280 123 125 GLN HE22 H 6.044 0.003 1 1281 123 125 GLN C C 175.649 0.010 1 1282 123 125 GLN CA C 56.432 0.010 1 1283 123 125 GLN CB C 29.425 0.010 1 1284 123 125 GLN CG C 33.902 0.010 1 1285 123 125 GLN N N 121.769 0.020 1 1286 123 125 GLN NE2 N 107.915 0.020 1 1287 124 126 ARG H H 8.141 0.003 1 1288 124 126 ARG HA H 3.466 0.003 1 1289 124 126 ARG HB2 H 1.935 0.003 2 1290 124 126 ARG HB3 H 1.864 0.003 2 1291 124 126 ARG HG2 H 1.565 0.003 1 1292 124 126 ARG HG3 H 1.506 0.003 1 1293 124 126 ARG HD2 H 3.149 0.003 2 1294 124 126 ARG HD3 H 3.160 0.003 2 1295 124 126 ARG C C 173.830 0.010 1 1296 124 126 ARG CA C 57.191 0.010 1 1297 124 126 ARG CB C 26.627 0.010 1 1298 124 126 ARG CG C 28.520 0.010 1 1299 124 126 ARG CD C 43.517 0.010 1 1300 124 126 ARG N N 115.831 0.020 1 1301 125 127 CYS H H 6.808 0.003 1 1302 125 127 CYS HA H 4.490 0.003 1 1303 125 127 CYS HB2 H 3.069 0.003 2 1304 125 127 CYS HB3 H 2.556 0.003 2 1305 125 127 CYS C C 172.037 0.010 1 1306 125 127 CYS CA C 55.647 0.010 1 1307 125 127 CYS CB C 30.488 0.010 1 1308 125 127 CYS N N 111.895 0.020 1 1309 126 128 PHE H H 9.599 0.003 1 1310 126 128 PHE HA H 4.805 0.003 1 1311 126 128 PHE HB2 H 2.890 0.003 1 1312 126 128 PHE HB3 H 3.140 0.003 1 1313 126 128 PHE HD1 H 7.458 0.003 1 1314 126 128 PHE HD2 H 7.458 0.003 1 1315 126 128 PHE HE1 H 7.600 0.003 1 1316 126 128 PHE HE2 H 7.600 0.003 1 1317 126 128 PHE HZ H 8.104 0.003 1 1318 126 128 PHE C C 175.431 0.010 1 1319 126 128 PHE CA C 60.725 0.010 1 1320 126 128 PHE CB C 40.512 0.010 1 1321 126 128 PHE CD1 C 131.722 0.010 1 1322 126 128 PHE CD2 C 131.722 0.010 1 1323 126 128 PHE CE1 C 131.954 0.010 1 1324 126 128 PHE CE2 C 131.954 0.010 1 1325 126 128 PHE CZ C 131.623 0.010 1 1326 126 128 PHE N N 119.776 0.020 1 1327 127 129 VAL H H 9.594 0.003 1 1328 127 129 VAL HA H 4.625 0.003 1 1329 127 129 VAL HB H 2.153 0.003 1 1330 127 129 VAL HG1 H 0.784 0.003 2 1331 127 129 VAL HG2 H 0.886 0.003 2 1332 127 129 VAL C C 173.499 0.010 1 1333 127 129 VAL CA C 60.501 0.010 1 1334 127 129 VAL CB C 34.354 0.010 1 1335 127 129 VAL CG1 C 22.217 0.010 1 1336 127 129 VAL CG2 C 22.206 0.010 1 1337 127 129 VAL N N 119.700 0.020 1 1338 128 130 LEU H H 9.545 0.003 1 1339 128 130 LEU HA H 5.417 0.003 1 1340 128 130 LEU HB2 H 1.845 0.003 1 1341 128 130 LEU HB3 H 1.213 0.003 1 1342 128 130 LEU HG H 1.359 0.003 1 1343 128 130 LEU HD1 H 0.767 0.003 2 1344 128 130 LEU HD2 H 0.800 0.003 2 1345 128 130 LEU C C 175.310 0.010 1 1346 128 130 LEU CA C 52.990 0.010 1 1347 128 130 LEU CB C 46.535 0.010 1 1348 128 130 LEU CG C 27.423 0.010 1 1349 128 130 LEU CD1 C 21.961 0.010 1 1350 128 130 LEU CD2 C 25.239 0.010 1 1351 128 130 LEU N N 129.107 0.020 1 1352 129 131 MET H H 8.724 0.003 1 1353 129 131 MET HA H 4.792 0.003 1 1354 129 131 MET HB2 H 1.754 0.003 1 1355 129 131 MET HB3 H 1.861 0.003 1 1356 129 131 MET HG2 H 2.249 0.003 1 1357 129 131 MET HG3 H 2.304 0.003 1 1358 129 131 MET C C 174.562 0.010 1 1359 129 131 MET CA C 54.980 0.010 1 1360 129 131 MET CB C 38.129 0.010 1 1361 129 131 MET CG C 32.556 0.010 1 1362 129 131 MET N N 119.581 0.020 1 1363 130 132 ASP H H 9.500 0.003 1 1364 130 132 ASP HA H 4.672 0.003 1 1365 130 132 ASP HB2 H 2.397 0.003 2 1366 130 132 ASP HB3 H 2.909 0.003 2 1367 130 132 ASP C C 178.291 0.010 1 1368 130 132 ASP CA C 53.766 0.010 1 1369 130 132 ASP CB C 42.063 0.010 1 1370 130 132 ASP N N 124.566 0.020 1 1371 131 133 LEU H H 8.182 0.003 1 1372 131 133 LEU HA H 4.427 0.003 1 1373 131 133 LEU HB2 H 1.348 0.003 2 1374 131 133 LEU HB3 H 1.679 0.003 2 1375 131 133 LEU HG H 1.526 0.003 1 1376 131 133 LEU HD1 H 0.637 0.003 2 1377 131 133 LEU HD2 H 0.835 0.003 2 1378 131 133 LEU C C 176.172 0.010 1 1379 131 133 LEU CA C 54.227 0.010 1 1380 131 133 LEU CB C 39.713 0.010 1 1381 131 133 LEU CG C 26.974 0.010 1 1382 131 133 LEU CD1 C 26.739 0.010 1 1383 131 133 LEU CD2 C 22.823 0.010 1 1384 131 133 LEU N N 129.917 0.020 1 1385 132 134 GLY H H 8.233 0.003 1 1386 132 134 GLY HA2 H 3.395 0.003 2 1387 132 134 GLY HA3 H 4.132 0.003 2 1388 132 134 GLY C C 174.507 0.010 1 1389 132 134 GLY CA C 46.271 0.010 1 1390 132 134 GLY N N 107.323 0.020 1 1391 133 135 SER H H 9.111 0.003 1 1392 133 135 SER HA H 4.091 0.003 1 1393 133 135 SER HB2 H 3.213 0.003 2 1394 133 135 SER HB3 H 3.348 0.003 2 1395 133 135 SER C C 175.194 0.010 1 1396 133 135 SER CA C 59.003 0.010 1 1397 133 135 SER CB C 62.766 0.010 1 1398 133 135 SER N N 119.398 0.020 1 1399 134 136 THR H H 7.136 0.003 1 1400 134 136 THR HA H 3.917 0.003 1 1401 134 136 THR HB H 4.037 0.003 1 1402 134 136 THR HG2 H 1.157 0.003 1 1403 134 136 THR C C 176.542 0.010 1 1404 134 136 THR CA C 66.444 0.010 1 1405 134 136 THR CB C 68.876 0.010 1 1406 134 136 THR CG2 C 21.986 0.010 1 1407 134 136 THR N N 117.002 0.020 1 1408 135 137 ASN H H 9.243 0.003 1 1409 135 137 ASN HA H 4.894 0.003 1 1410 135 137 ASN HB2 H 2.014 0.003 2 1411 135 137 ASN HB3 H 2.200 0.003 2 1412 135 137 ASN HD21 H 7.257 0.003 2 1413 135 137 ASN HD22 H 8.221 0.003 2 1414 135 137 ASN C C 175.875 0.010 1 1415 135 137 ASN CA C 53.679 0.010 1 1416 135 137 ASN CB C 39.207 0.010 1 1417 135 137 ASN N N 114.018 0.020 1 1418 135 137 ASN ND2 N 116.117 0.020 1 1419 136 138 GLY H H 7.533 0.003 1 1420 136 138 GLY HA3 H 4.018 0.003 2 1421 136 138 GLY C C 174.404 0.010 1 1422 136 138 GLY CA C 46.012 0.010 1 1423 136 138 GLY N N 106.575 0.020 1 1424 137 139 VAL H H 9.270 0.003 1 1425 137 139 VAL HA H 4.554 0.003 1 1426 137 139 VAL HB H 1.826 0.003 1 1427 137 139 VAL HG1 H 0.741 0.003 2 1428 137 139 VAL HG2 H 1.120 0.003 2 1429 137 139 VAL C C 173.367 0.010 1 1430 137 139 VAL CA C 61.221 0.010 1 1431 137 139 VAL CB C 36.191 0.010 1 1432 137 139 VAL CG1 C 22.865 0.010 1 1433 137 139 VAL CG2 C 24.186 0.010 1 1434 137 139 VAL N N 123.037 0.020 1 1435 138 140 LYS H H 8.779 0.003 1 1436 138 140 LYS HA H 4.908 0.003 1 1437 138 140 LYS HB2 H 1.445 0.003 1 1438 138 140 LYS HB3 H 1.099 0.003 1 1439 138 140 LYS HG2 H 1.386 0.003 1 1440 138 140 LYS HG3 H 1.390 0.003 1 1441 138 140 LYS HD2 H 1.430 0.003 2 1442 138 140 LYS HD3 H 1.432 0.003 2 1443 138 140 LYS HE2 H 2.752 0.003 2 1444 138 140 LYS HE3 H 2.734 0.003 2 1445 138 140 LYS C C 174.454 0.010 1 1446 138 140 LYS CA C 54.520 0.010 1 1447 138 140 LYS CB C 35.859 0.010 1 1448 138 140 LYS CD C 29.490 0.010 1 1449 138 140 LYS CE C 41.695 0.010 1 1450 138 140 LYS N N 123.932 0.020 1 1451 139 141 LEU H H 8.528 0.003 1 1452 139 141 LEU HA H 5.035 0.003 1 1453 139 141 LEU HB2 H 0.893 0.003 2 1454 139 141 LEU HB3 H 1.778 0.003 2 1455 139 141 LEU HG H 1.408 0.003 1 1456 139 141 LEU HD1 H 0.825 0.003 2 1457 139 141 LEU HD2 H 1.008 0.003 2 1458 139 141 LEU C C 176.335 0.010 1 1459 139 141 LEU CA C 52.721 0.010 1 1460 139 141 LEU CB C 45.127 0.010 1 1461 139 141 LEU CG C 27.570 0.010 1 1462 139 141 LEU CD1 C 23.878 0.010 1 1463 139 141 LEU CD2 C 26.469 0.010 1 1464 139 141 LEU N N 124.937 0.020 1 1465 140 142 ASN H H 10.056 0.003 1 1466 140 142 ASN HA H 4.396 0.003 1 1467 140 142 ASN HB2 H 2.908 0.003 1 1468 140 142 ASN HB3 H 2.917 0.003 1 1469 140 142 ASN HD21 H 7.180 0.003 1 1470 140 142 ASN HD22 H 7.687 0.003 1 1471 140 142 ASN C C 175.256 0.010 1 1472 140 142 ASN CA C 54.412 0.010 1 1473 140 142 ASN CB C 36.879 0.010 1 1474 140 142 ASN N N 128.375 0.020 1 1475 140 142 ASN ND2 N 114.203 0.020 1 1476 141 143 GLY H H 8.811 0.003 1 1477 141 143 GLY HA2 H 3.430 0.003 1 1478 141 143 GLY HA3 H 4.172 0.003 1 1479 141 143 GLY C C 173.265 0.010 1 1480 141 143 GLY CA C 44.972 0.010 1 1481 141 143 GLY N N 101.602 0.020 1 1482 142 144 ASN H H 7.512 0.003 1 1483 142 144 ASN HA H 5.008 0.003 1 1484 142 144 ASN HB2 H 2.640 0.003 2 1485 142 144 ASN HB3 H 2.653 0.003 2 1486 142 144 ASN HD21 H 7.490 0.003 2 1487 142 144 ASN HD22 H 6.911 0.003 2 1488 142 144 ASN C C 174.106 0.010 1 1489 142 144 ASN CA C 51.596 0.010 1 1490 142 144 ASN CB C 41.038 0.010 1 1491 142 144 ASN N N 118.060 0.020 1 1492 142 144 ASN ND2 N 114.336 0.020 1 1493 143 145 ARG H H 8.975 0.003 1 1494 143 145 ARG HA H 4.621 0.003 1 1495 143 145 ARG HB2 H 1.747 0.003 2 1496 143 145 ARG HB3 H 1.788 0.003 2 1497 143 145 ARG HG2 H 1.624 0.003 2 1498 143 145 ARG HG3 H 1.530 0.003 2 1499 143 145 ARG HD2 H 3.156 0.003 2 1500 143 145 ARG HD3 H 3.149 0.003 2 1501 143 145 ARG C C 177.077 0.010 1 1502 143 145 ARG CA C 56.940 0.010 1 1503 143 145 ARG CB C 29.787 0.010 1 1504 143 145 ARG CG C 27.240 0.010 1 1505 143 145 ARG CD C 43.565 0.010 1 1506 143 145 ARG N N 125.882 0.020 1 1507 144 146 ILE H H 6.907 0.003 1 1508 144 146 ILE HA H 4.571 0.003 1 1509 144 146 ILE HB H 2.171 0.003 1 1510 144 146 ILE HG12 H 1.307 0.003 2 1511 144 146 ILE HG13 H 1.482 0.003 2 1512 144 146 ILE HG2 H 0.976 0.003 1 1513 144 146 ILE HD1 H 0.797 0.003 1 1514 144 146 ILE CA C 60.795 0.010 1 1515 144 146 ILE CB C 39.273 0.010 1 1516 144 146 ILE CG1 C 24.310 0.010 1 1517 144 146 ILE CG2 C 19.700 0.010 1 1518 144 146 ILE CD1 C 14.000 0.010 1 1519 144 146 ILE N N 124.442 0.020 1 1520 145 147 GLU H H 8.628 0.003 1 1521 145 147 GLU HA H 4.204 0.003 1 1522 145 147 GLU HB2 H 1.949 0.003 1 1523 145 147 GLU HB3 H 1.865 0.003 1 1524 145 147 GLU HG2 H 2.386 0.003 2 1525 145 147 GLU HG3 H 2.393 0.003 2 1526 145 147 GLU C C 176.123 0.010 1 1527 145 147 GLU CA C 56.335 0.010 1 1528 145 147 GLU CB C 30.592 0.010 1 1529 145 147 GLU CG C 36.659 0.010 1 1530 145 147 GLU N N 122.815 0.020 1 1531 146 148 LYS H H 8.755 0.003 1 1532 146 148 LYS HA H 4.116 0.003 1 1533 146 148 LYS HB2 H 1.749 0.003 2 1534 146 148 LYS HB3 H 1.709 0.003 2 1535 146 148 LYS HG2 H 1.439 0.003 2 1536 146 148 LYS HG3 H 1.381 0.003 2 1537 146 148 LYS HD2 H 1.621 0.003 2 1538 146 148 LYS HD3 H 1.656 0.003 2 1539 146 148 LYS HE2 H 3.000 0.003 2 1540 146 148 LYS HE3 H 2.928 0.003 2 1541 146 148 LYS C C 175.811 0.010 1 1542 146 148 LYS CA C 57.955 0.010 1 1543 146 148 LYS CB C 33.562 0.010 1 1544 146 148 LYS CG C 24.862 0.010 1 1545 146 148 LYS CD C 29.208 0.010 1 1546 146 148 LYS CE C 42.039 0.010 1 1547 146 148 LYS N N 122.367 0.020 1 1548 147 149 ARG H H 9.124 0.003 1 1549 147 149 ARG HA H 3.657 0.003 1 1550 147 149 ARG HB2 H 1.994 0.003 2 1551 147 149 ARG HB3 H 1.956 0.003 2 1552 147 149 ARG HG2 H 1.581 0.003 2 1553 147 149 ARG HG3 H 1.541 0.003 2 1554 147 149 ARG HD2 H 3.203 0.003 2 1555 147 149 ARG HD3 H 3.172 0.003 2 1556 147 149 ARG C C 174.121 0.010 1 1557 147 149 ARG CA C 58.472 0.010 1 1558 147 149 ARG CB C 27.393 0.010 1 1559 147 149 ARG CG C 29.340 0.010 1 1560 147 149 ARG CD C 43.424 0.010 1 1561 147 149 ARG N N 115.303 0.020 1 1562 148 150 ARG H H 8.133 0.003 1 1563 148 150 ARG HA H 4.962 0.003 1 1564 148 150 ARG HB2 H 1.533 0.003 2 1565 148 150 ARG HB3 H 1.708 0.003 2 1566 148 150 ARG HG2 H 1.612 0.003 2 1567 148 150 ARG HG3 H 1.643 0.003 2 1568 148 150 ARG HD2 H 3.193 0.003 2 1569 148 150 ARG HD3 H 3.150 0.003 2 1570 148 150 ARG C C 173.769 0.010 1 1571 148 150 ARG CA C 52.486 0.010 1 1572 148 150 ARG CB C 32.396 0.010 1 1573 148 150 ARG CG C 27.295 0.010 1 1574 148 150 ARG CD C 43.483 0.010 1 1575 148 150 ARG N N 118.994 0.020 1 1576 149 151 PRO HA H 4.638 0.003 1 1577 149 151 PRO HB2 H 2.043 0.003 2 1578 149 151 PRO HB3 H 1.895 0.003 2 1579 149 151 PRO HG2 H 2.211 0.003 2 1580 149 151 PRO HG3 H 2.275 0.003 2 1581 149 151 PRO HD2 H 3.845 0.003 2 1582 149 151 PRO HD3 H 3.640 0.003 2 1583 149 151 PRO CA C 62.640 0.010 1 1584 149 151 PRO CB C 31.800 0.010 1 1585 149 151 PRO CG C 27.380 0.010 1 1586 149 151 PRO CD C 50.860 0.010 1 1587 150 152 LEU H H 8.850 0.003 1 1588 150 152 LEU HA H 4.976 0.003 1 1589 150 152 LEU HB2 H 1.447 0.003 1 1590 150 152 LEU HB3 H 1.629 0.003 1 1591 150 152 LEU HG H 1.723 0.003 1 1592 150 152 LEU HD1 H 1.007 0.003 2 1593 150 152 LEU HD2 H 0.922 0.003 2 1594 150 152 LEU C C 173.433 0.010 1 1595 150 152 LEU CA C 51.355 0.010 1 1596 150 152 LEU CB C 44.253 0.010 1 1597 150 152 LEU CG C 27.477 0.010 1 1598 150 152 LEU CD1 C 26.284 0.010 1 1599 150 152 LEU CD2 C 24.458 0.010 1 1600 150 152 LEU N N 129.239 0.020 1 1601 151 153 PRO HA H 4.331 0.003 1 1602 151 153 PRO HB2 H 1.726 0.003 2 1603 151 153 PRO HB3 H 2.108 0.003 2 1604 151 153 PRO HG2 H 2.068 0.003 1 1605 151 153 PRO HG3 H 1.981 0.003 1 1606 151 153 PRO CA C 64.201 0.010 1 1607 151 153 PRO CB C 32.673 0.010 1 1608 151 153 PRO CG C 27.715 0.010 1 1609 152 154 ALA H H 8.741 0.003 1 1610 152 154 ALA HA H 4.883 0.003 1 1611 152 154 ALA HB H 0.943 0.003 1 1612 152 154 ALA C C 172.551 0.010 1 1613 152 154 ALA CA C 48.117 0.010 1 1614 152 154 ALA CB C 18.102 0.010 1 1615 152 154 ALA N N 123.538 0.020 1 1616 153 155 PRO HA H 4.637 0.003 1 1617 153 155 PRO HB2 H 2.327 0.003 1 1618 153 155 PRO HB3 H 1.970 0.003 1 1619 153 155 PRO HG2 H 1.972 0.003 2 1620 153 155 PRO HD2 H 3.767 0.003 2 1621 153 155 PRO HD3 H 3.561 0.003 2 1622 153 155 PRO CA C 62.080 0.010 1 1623 153 155 PRO CB C 33.330 0.010 1 1624 153 155 PRO CG C 27.090 0.010 1 1625 153 155 PRO CD C 50.370 0.010 1 1626 154 156 VAL H H 8.653 0.003 1 1627 154 156 VAL HA H 3.324 0.003 1 1628 154 156 VAL HB H 1.962 0.003 1 1629 154 156 VAL HG1 H 1.046 0.003 2 1630 154 156 VAL HG2 H 0.978 0.003 2 1631 154 156 VAL C C 176.371 0.010 1 1632 154 156 VAL CA C 65.636 0.010 1 1633 154 156 VAL CB C 31.513 0.010 1 1634 154 156 VAL CG1 C 23.113 0.010 1 1635 154 156 VAL CG2 C 21.848 0.010 1 1636 154 156 VAL N N 121.024 0.020 1 1637 155 157 GLY H H 9.242 0.003 1 1638 155 157 GLY HA2 H 4.504 0.003 1 1639 155 157 GLY C C 174.707 0.010 1 1640 155 157 GLY CA C 44.309 0.010 1 1641 155 157 GLY N N 116.464 0.020 1 1642 156 158 SER H H 8.166 0.003 1 1643 156 158 SER HA H 4.684 0.003 1 1644 156 158 SER HB2 H 3.679 0.003 2 1645 156 158 SER HB3 H 3.553 0.003 2 1646 156 158 SER C C 172.437 0.010 1 1647 156 158 SER CA C 60.271 0.010 1 1648 156 158 SER CB C 64.119 0.010 1 1649 156 158 SER N N 117.176 0.020 1 1650 157 159 SER H H 8.371 0.003 1 1651 157 159 SER HA H 5.334 0.003 1 1652 157 159 SER HB2 H 3.677 0.003 1 1653 157 159 SER HB3 H 3.613 0.003 1 1654 157 159 SER C C 173.729 0.010 1 1655 157 159 SER CA C 56.737 0.010 1 1656 157 159 SER CB C 65.445 0.010 1 1657 157 159 SER N N 117.025 0.020 1 1658 158 160 ILE H H 9.601 0.003 1 1659 158 160 ILE HA H 4.819 0.003 1 1660 158 160 ILE HB H 1.067 0.003 1 1661 158 160 ILE HG12 H 0.576 0.003 2 1662 158 160 ILE HG13 H 1.235 0.003 2 1663 158 160 ILE HG2 H -0.223 0.003 1 1664 158 160 ILE HD1 H 0.401 0.003 1 1665 158 160 ILE C C 174.471 0.010 1 1666 158 160 ILE CA C 60.049 0.010 1 1667 158 160 ILE CB C 42.434 0.010 1 1668 158 160 ILE CG1 C 27.666 0.010 1 1669 158 160 ILE CG2 C 17.978 0.010 1 1670 158 160 ILE CD1 C 14.648 0.010 1 1671 158 160 ILE N N 126.089 0.020 1 1672 159 161 GLN H H 8.290 0.003 1 1673 159 161 GLN HA H 4.562 0.003 1 1674 159 161 GLN HB2 H 1.596 0.003 1 1675 159 161 GLN HB3 H 2.053 0.003 1 1676 159 161 GLN HG2 H 2.173 0.003 1 1677 159 161 GLN HG3 H 2.491 0.003 1 1678 159 161 GLN HE21 H 7.172 0.003 1 1679 159 161 GLN HE22 H 6.831 0.003 1 1680 159 161 GLN C C 174.219 0.010 1 1681 159 161 GLN CA C 55.104 0.010 1 1682 159 161 GLN CB C 34.627 0.010 1 1683 159 161 GLN CG C 34.746 0.010 1 1684 159 161 GLN N N 123.323 0.020 1 1685 159 161 GLN NE2 N 111.913 0.020 1 1686 160 162 PHE H H 9.622 0.003 1 1687 160 162 PHE HA H 4.564 0.003 1 1688 160 162 PHE HB2 H 2.036 0.003 1 1689 160 162 PHE HB3 H 2.650 0.003 1 1690 160 162 PHE HD1 H 5.851 0.003 1 1691 160 162 PHE HD2 H 5.851 0.003 1 1692 160 162 PHE HE1 H 6.749 0.003 1 1693 160 162 PHE HE2 H 6.749 0.003 1 1694 160 162 PHE HZ H 6.866 0.003 1 1695 160 162 PHE C C 174.368 0.010 1 1696 160 162 PHE CA C 56.415 0.010 1 1697 160 162 PHE CB C 40.677 0.010 1 1698 160 162 PHE CD1 C 129.817 0.010 1 1699 160 162 PHE CD2 C 129.817 0.010 1 1700 160 162 PHE CE1 C 131.470 0.010 1 1701 160 162 PHE CE2 C 131.470 0.010 1 1702 160 162 PHE CZ C 132.771 0.010 1 1703 160 162 PHE N N 124.084 0.020 1 1704 161 163 GLY H H 8.409 0.003 1 1705 161 163 GLY HA2 H 2.996 0.003 1 1706 161 163 GLY HA3 H 3.166 0.003 1 1707 161 163 GLY C C 173.064 0.010 1 1708 161 163 GLY CA C 46.172 0.010 1 1709 161 163 GLY N N 108.516 0.020 1 1710 162 164 PHE H H 8.848 0.003 1 1711 162 164 PHE HA H 4.941 0.003 1 1712 162 164 PHE HB2 H 3.593 0.003 1 1713 162 164 PHE HB3 H 2.552 0.003 1 1714 162 164 PHE HD1 H 7.135 0.003 1 1715 162 164 PHE HD2 H 7.135 0.003 1 1716 162 164 PHE HE1 H 7.261 0.003 1 1717 162 164 PHE HE2 H 7.261 0.003 1 1718 162 164 PHE HZ H 7.237 0.003 1 1719 162 164 PHE C C 175.982 0.010 1 1720 162 164 PHE CA C 54.061 0.010 1 1721 162 164 PHE CB C 38.091 0.010 1 1722 162 164 PHE CD1 C 130.566 0.010 1 1723 162 164 PHE CD2 C 130.566 0.010 1 1724 162 164 PHE CE1 C 130.734 0.010 1 1725 162 164 PHE CE2 C 130.734 0.010 1 1726 162 164 PHE CZ C 130.204 0.010 1 1727 162 164 PHE N N 123.240 0.020 1 1728 163 165 SER H H 7.071 0.003 1 1729 163 165 SER HA H 4.001 0.003 1 1730 163 165 SER HB2 H 3.796 0.003 2 1731 163 165 SER HB3 H 3.651 0.003 2 1732 163 165 SER C C 176.303 0.010 1 1733 163 165 SER CA C 58.004 0.010 1 1734 163 165 SER CB C 62.297 0.010 1 1735 163 165 SER N N 113.673 0.020 1 1736 164 166 SER H H 9.901 0.003 1 1737 164 166 SER HA H 4.188 0.003 1 1738 164 166 SER HB2 H 3.758 0.003 2 1739 164 166 SER HB3 H 3.858 0.003 2 1740 164 166 SER C C 174.499 0.010 1 1741 164 166 SER CA C 59.606 0.010 1 1742 164 166 SER CB C 63.841 0.010 1 1743 164 166 SER N N 126.213 0.020 1 1744 165 167 ARG H H 8.096 0.003 1 1745 165 167 ARG HA H 4.220 0.003 1 1746 165 167 ARG HB2 H 1.763 0.003 2 1747 165 167 ARG HB3 H 1.712 0.003 2 1748 165 167 ARG HG2 H 1.808 0.003 2 1749 165 167 ARG HD2 H 3.155 0.003 2 1750 165 167 ARG HD3 H 2.931 0.003 2 1751 165 167 ARG C C 175.560 0.010 1 1752 165 167 ARG CA C 57.449 0.010 1 1753 165 167 ARG CB C 30.991 0.010 1 1754 165 167 ARG N N 122.909 0.020 1 1755 166 168 VAL H H 8.756 0.003 1 1756 166 168 VAL HA H 4.158 0.003 1 1757 166 168 VAL HB H 2.008 0.003 1 1758 166 168 VAL HG1 H 0.864 0.003 1 1759 166 168 VAL HG2 H 0.870 0.003 1 1760 166 168 VAL C C 174.398 0.010 1 1761 166 168 VAL CA C 62.043 0.010 1 1762 166 168 VAL CB C 33.399 0.010 1 1763 166 168 VAL CG1 C 21.063 0.010 1 1764 166 168 VAL CG2 C 20.922 0.010 1 1765 166 168 VAL N N 123.934 0.020 1 1766 167 169 TYR H H 8.637 0.003 1 1767 167 169 TYR HA H 5.202 0.003 1 1768 167 169 TYR HB2 H 2.715 0.003 1 1769 167 169 TYR HB3 H 2.518 0.003 1 1770 167 169 TYR HD1 H 6.822 0.003 1 1771 167 169 TYR HD2 H 6.822 0.003 1 1772 167 169 TYR HE1 H 6.719 0.003 1 1773 167 169 TYR HE2 H 6.719 0.003 1 1774 167 169 TYR C C 174.823 0.010 1 1775 167 169 TYR CA C 55.903 0.010 1 1776 167 169 TYR CB C 39.856 0.010 1 1777 167 169 TYR CE1 C 117.810 0.010 1 1778 167 169 TYR CE2 C 117.810 0.010 1 1779 167 169 TYR N N 126.353 0.020 1 1780 168 170 LYS H H 9.005 0.003 1 1781 168 170 LYS HA H 5.486 0.003 1 1782 168 170 LYS HB2 H 1.472 0.003 1 1783 168 170 LYS HB3 H 1.522 0.003 1 1784 168 170 LYS HG2 H 1.136 0.003 2 1785 168 170 LYS HG3 H 1.040 0.003 2 1786 168 170 LYS HD2 H 1.425 0.003 2 1787 168 170 LYS HD3 H 1.393 0.003 2 1788 168 170 LYS HE2 H 2.724 0.003 2 1789 168 170 LYS HE3 H 2.675 0.003 2 1790 168 170 LYS C C 176.634 0.010 1 1791 168 170 LYS CA C 53.912 0.010 1 1792 168 170 LYS CB C 35.902 0.010 1 1793 168 170 LYS CG C 25.236 0.010 1 1794 168 170 LYS CD C 29.669 0.010 1 1795 168 170 LYS CE C 41.811 0.010 1 1796 168 170 LYS N N 123.312 0.020 1 1797 169 171 VAL H H 8.305 0.003 1 1798 169 171 VAL HA H 3.818 0.003 1 1799 169 171 VAL HB H 2.010 0.003 1 1800 169 171 VAL HG1 H 0.820 0.003 1 1801 169 171 VAL HG2 H 0.669 0.003 1 1802 169 171 VAL C C 175.804 0.010 1 1803 169 171 VAL CA C 63.855 0.010 1 1804 169 171 VAL CB C 30.937 0.010 1 1805 169 171 VAL CG1 C 21.078 0.010 1 1806 169 171 VAL CG2 C 20.597 0.010 1 1807 169 171 VAL N N 125.863 0.020 1 1808 170 172 GLN H H 9.124 0.003 1 1809 170 172 GLN HA H 4.867 0.003 1 1810 170 172 GLN HB2 H 1.578 0.003 2 1811 170 172 GLN HB3 H 0.623 0.003 2 1812 170 172 GLN HG2 H 2.124 0.003 2 1813 170 172 GLN HG3 H 1.991 0.003 2 1814 170 172 GLN HE21 H 6.879 0.003 1 1815 170 172 GLN HE22 H 7.211 0.003 1 1816 170 172 GLN C C 174.293 0.010 1 1817 170 172 GLN CA C 53.818 0.010 1 1818 170 172 GLN CB C 32.680 0.010 1 1819 170 172 GLN CG C 33.068 0.010 1 1820 170 172 GLN N N 129.871 0.020 1 1821 170 172 GLN NE2 N 110.928 0.020 1 1822 171 173 LEU H H 8.569 0.003 1 1823 171 173 LEU HA H 4.492 0.003 1 1824 171 173 LEU HB2 H 1.629 0.003 2 1825 171 173 LEU HB3 H 1.636 0.003 2 1826 171 173 LEU HG H 1.716 0.003 1 1827 171 173 LEU HD1 H 0.939 0.003 2 1828 171 173 LEU HD2 H 0.998 0.003 2 1829 171 173 LEU C C 177.672 0.010 1 1830 171 173 LEU CA C 55.951 0.010 1 1831 171 173 LEU CB C 44.023 0.010 1 1832 171 173 LEU CG C 27.392 0.010 1 1833 171 173 LEU CD1 C 24.771 0.010 1 1834 171 173 LEU CD2 C 26.296 0.010 1 1835 171 173 LEU N N 122.168 0.020 1 1836 172 174 GLY H H 8.588 0.003 1 1837 172 174 GLY HA3 H 4.498 0.003 1 1838 172 174 GLY C C 171.895 0.010 1 1839 172 174 GLY CA C 44.179 0.010 1 1840 172 174 GLY N N 111.174 0.020 1 1841 175 177 SER H H 7.661 0.003 1 1842 175 177 SER HA H 4.274 0.003 1 1843 175 177 SER HB2 H 3.756 0.003 2 1844 175 177 SER HB3 H 3.696 0.003 2 1845 175 177 SER C C 174.314 0.010 1 1846 175 177 SER CA C 57.998 0.010 1 1847 175 177 SER CB C 63.886 0.010 1 1848 175 177 SER N N 115.756 0.020 1 1849 176 178 SER H H 8.265 0.003 1 1850 176 178 SER HA H 4.698 0.003 1 1851 176 178 SER HB2 H 3.756 0.003 2 1852 176 178 SER HB3 H 3.776 0.003 2 1853 176 178 SER C C 173.521 0.010 1 1854 176 178 SER CA C 58.601 0.010 1 1855 176 178 SER CB C 64.242 0.010 1 1856 176 178 SER N N 117.882 0.020 1 1857 177 179 SER H H 7.892 0.003 1 1858 177 179 SER HA H 4.218 0.003 1 1859 177 179 SER HB2 H 3.769 0.003 2 1860 177 179 SER HB3 H 3.760 0.003 2 1861 177 179 SER C C 178.495 0.010 1 1862 177 179 SER CA C 60.075 0.010 1 1863 177 179 SER CB C 64.881 0.010 1 1864 177 179 SER N N 122.817 0.020 1 stop_ save_