data_30517 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the KCNQ1 voltage-sensing domain ; _BMRB_accession_number 30517 _BMRB_flat_file_name bmr30517.str _Entry_type original _Submission_date 2018-09-19 _Accession_date 2018-09-19 _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 Taylor K. C. . 2 Kuenze G. . . 3 Smith J. A. . 4 Meiler J. . . 5 McFeeters R. L. . 6 Sanders C. R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 714 "13C chemical shifts" 506 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-28 original BMRB . stop_ _Original_release_date 2018-10-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Intermediate State of the Human KCNQ1 Channel Voltage-Sensor 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 Taylor K. C. . 2 Kang P. W. . 3 Hou P. . . 4 Kuenze G. . . 5 Yang N. . . 6 Smith J. A. . 7 Shi J. . . 8 Huang H. . . 9 White K. M. . 10 Peng D. . . 11 George A. L. . 12 Meiler J. . . 13 McFeeters R. L. . 14 Cui J. . . 15 Sanders C. R. . 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 'Potassium voltage-gated channel subfamily KQT member 1' _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 18184.631 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; MGHHHHHHGVLARTHVQGRV YNFLERPTGWKCFVYHFAVF LIVLVCLIFSVLSTIEQYAA LATGTLFWMEIVLVVFFGTE YVVRLWSAGCRSKYVGLWGR LRFARKPISIIDLIVVVASM VVLCVGSKGQVFATSAIRGI RFLQILRMLHVDRQGGTWR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 91 MET 2 92 GLY 3 93 HIS 4 94 HIS 5 95 HIS 6 96 HIS 7 97 HIS 8 98 HIS 9 99 GLY 10 100 VAL 11 101 LEU 12 102 ALA 13 103 ARG 14 104 THR 15 105 HIS 16 106 VAL 17 107 GLN 18 108 GLY 19 109 ARG 20 110 VAL 21 111 TYR 22 112 ASN 23 113 PHE 24 114 LEU 25 115 GLU 26 116 ARG 27 117 PRO 28 118 THR 29 119 GLY 30 120 TRP 31 121 LYS 32 122 CYS 33 123 PHE 34 124 VAL 35 125 TYR 36 126 HIS 37 127 PHE 38 128 ALA 39 129 VAL 40 130 PHE 41 131 LEU 42 132 ILE 43 133 VAL 44 134 LEU 45 135 VAL 46 136 CYS 47 137 LEU 48 138 ILE 49 139 PHE 50 140 SER 51 141 VAL 52 142 LEU 53 143 SER 54 144 THR 55 145 ILE 56 146 GLU 57 147 GLN 58 148 TYR 59 149 ALA 60 150 ALA 61 151 LEU 62 152 ALA 63 153 THR 64 154 GLY 65 155 THR 66 156 LEU 67 157 PHE 68 158 TRP 69 159 MET 70 160 GLU 71 161 ILE 72 162 VAL 73 163 LEU 74 164 VAL 75 165 VAL 76 166 PHE 77 167 PHE 78 168 GLY 79 169 THR 80 170 GLU 81 171 TYR 82 172 VAL 83 173 VAL 84 174 ARG 85 175 LEU 86 176 TRP 87 177 SER 88 178 ALA 89 179 GLY 90 180 CYS 91 181 ARG 92 182 SER 93 183 LYS 94 184 TYR 95 185 VAL 96 186 GLY 97 187 LEU 98 188 TRP 99 189 GLY 100 190 ARG 101 191 LEU 102 192 ARG 103 193 PHE 104 194 ALA 105 195 ARG 106 196 LYS 107 197 PRO 108 198 ILE 109 199 SER 110 200 ILE 111 201 ILE 112 202 ASP 113 203 LEU 114 204 ILE 115 205 VAL 116 206 VAL 117 207 VAL 118 208 ALA 119 209 SER 120 210 MET 121 211 VAL 122 212 VAL 123 213 LEU 124 214 CYS 125 215 VAL 126 216 GLY 127 217 SER 128 218 LYS 129 219 GLY 130 220 GLN 131 221 VAL 132 222 PHE 133 223 ALA 134 224 THR 135 225 SER 136 226 ALA 137 227 ILE 138 228 ARG 139 229 GLY 140 230 ILE 141 231 ARG 142 232 PHE 143 233 LEU 144 234 GLN 145 235 ILE 146 236 LEU 147 237 ARG 148 238 MET 149 239 LEU 150 240 HIS 151 241 VAL 152 242 ASP 153 243 ARG 154 244 GLN 155 245 GLY 156 246 GLY 157 247 THR 158 248 TRP 159 249 ARG 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 Human 9606 Eukaryota Metazoa Homo sapiens 'KCNQ1, KCNA8, KCNA9, KVLQT1' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'C43(DE3) pRARE' plasmid pET16b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-100% 13C; U-100% 15N; U-80% 2H] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-100% 13C; U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-100% 13C; U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-100% 13C; U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v Deuterated LMPG, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-100% 13C; U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' 'Deuterated LMPG' 4 '% w/v' 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type micelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 mM LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type micelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 mM LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 mM 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type bicelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type micelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type micelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_10 _Saveframe_category sample _Sample_type micelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_11 _Saveframe_category sample _Sample_type micelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_12 _Saveframe_category sample _Sample_type micelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ save_sample_13 _Saveframe_category sample _Sample_type micelle _Details '0.2 mM [U-100% 15N] KCNQ1-VSD, 50 mM MES, 0.5 mM EDTA, 2 mM TCEP, 4 % w/v LMPG, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-100% 15N]' MES 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' TCEP 2 mM 'natural abundance' LMPG 4 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 16 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name XPLOR-NIH _Version 2.48 loop_ _Vendor _Address _Electronic_address 'C.D. Schwieters, J.J. Kuszewski, N. Tjandra and G.M. Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version NMRFAM loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details 'CPQCI probe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 900 _Details 'CPTCI probe' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_2D_IPAP-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-HSQC' _Sample_label $sample_4 save_ save_2D_IPAP-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_7 save_ save_2D_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_9 save_ save_2D_1H-15N_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_10 save_ save_2D_1H-15N_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_11 save_ save_2D_1H-15N_HSQC_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_12 save_ save_2D_1H-15N_HSQC_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_13 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 323 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 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 '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HNCACB' '2D 1H-15N HSQC' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-COSY' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY' '2D IPAP-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 $sample_8 $sample_9 $sample_10 $sample_11 $sample_12 $sample_13 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 1 100 10 VAL H H 7.926 0.05 1 2 100 10 VAL HA H 3.868 0.05 1 3 100 10 VAL HB H 1.996 0.05 1 4 100 10 VAL HG1 H 0.837 0.05 2 5 100 10 VAL HG2 H 0.808 0.05 2 6 100 10 VAL CA C 64.13 0.1 1 7 100 10 VAL CB C 32.85 0.1 1 8 100 10 VAL CG1 C 21.217 0.1 2 9 100 10 VAL CG2 C 21.217 0.1 2 10 100 10 VAL N N 119.451 0.1 1 11 101 11 LEU H H 8.005 0.05 1 12 101 11 LEU HA H 4.125 0.05 1 13 101 11 LEU HB2 H 1.45 0.05 2 14 101 11 LEU HB3 H 1.45 0.05 2 15 101 11 LEU HG H 1.59 0.05 1 16 101 11 LEU HD1 H 0.784 0.05 2 17 101 11 LEU HD2 H 0.721 0.05 2 18 101 11 LEU C C 177.27 0.1 1 19 101 11 LEU CA C 56.08 0.1 1 20 101 11 LEU CB C 41.99 0.1 1 21 101 11 LEU CG C 27.084 0.1 1 22 101 11 LEU CD1 C 25.315 0.1 2 23 101 11 LEU CD2 C 23.759 0.1 2 24 101 11 LEU N N 121.766 0.1 1 25 102 12 ALA H H 7.77 0.05 1 26 102 12 ALA HA H 4.139 0.05 1 27 102 12 ALA HB H 1.274 0.05 1 28 102 12 ALA C C 178.17 0.1 1 29 102 12 ALA CA C 53.42 0.1 1 30 102 12 ALA CB C 19.36 0.1 1 31 102 12 ALA N N 122.835 0.1 1 32 103 13 ARG H H 7.894 0.05 1 33 103 13 ARG HA H 4.119 0.05 1 34 103 13 ARG HB2 H 1.81 0.05 2 35 103 13 ARG HB3 H 1.719 0.05 2 36 103 13 ARG HG2 H 1.543 0.05 2 37 103 13 ARG HG3 H 1.543 0.05 2 38 103 13 ARG HD2 H 3.079 0.05 2 39 103 13 ARG HD3 H 3.079 0.05 2 40 103 13 ARG C C 176.47 0.1 1 41 103 13 ARG CA C 57.11 0.1 1 42 103 13 ARG CB C 30.62 0.1 1 43 103 13 ARG CG C 27.291 0.1 1 44 103 13 ARG CD C 43.431 0.1 1 45 103 13 ARG N N 118.274 0.1 1 46 104 14 THR H H 7.549 0.05 1 47 104 14 THR HA H 4.109 0.05 1 48 104 14 THR HB H 4.075 0.05 1 49 104 14 THR HG2 H 1.06 0.05 1 50 104 14 THR C C 174.57 0.1 1 51 104 14 THR CA C 62.88 0.1 1 52 104 14 THR CB C 70.17 0.1 1 53 104 14 THR CG2 C 21.618 0.1 1 54 104 14 THR N N 111.916 0.1 1 55 105 15 HIS H H 8.058 0.05 1 56 105 15 HIS HA H 4.633 0.05 1 57 105 15 HIS HB2 H 3.279 0.05 2 58 105 15 HIS HB3 H 3.161 0.05 2 59 105 15 HIS HD2 H 7.206 0.05 1 60 105 15 HIS C C 175.07 0.1 1 61 105 15 HIS CA C 56.00 0.1 1 62 105 15 HIS CB C 28.56 0.1 1 63 105 15 HIS N N 119.107 0.1 1 64 106 16 VAL H H 7.865 0.05 1 65 106 16 VAL HA H 3.895 0.05 1 66 106 16 VAL HB H 1.997 0.05 1 67 106 16 VAL HG1 H 0.805 0.05 2 68 106 16 VAL HG2 H 0.805 0.05 2 69 106 16 VAL C C 175.97 0.1 1 70 106 16 VAL CA C 63.84 0.1 1 71 106 16 VAL CB C 32.87 0.1 1 72 106 16 VAL CG1 C 21.301 0.1 2 73 106 16 VAL CG2 C 21.301 0.1 2 74 106 16 VAL N N 119.157 0.1 1 75 107 17 GLN H H 8.356 0.05 1 76 107 17 GLN HA H 3.932 0.05 1 77 107 17 GLN HB2 H 1.965 0.05 2 78 107 17 GLN HB3 H 1.897 0.05 2 79 107 17 GLN HG2 H 2.205 0.05 2 80 107 17 GLN HG3 H 2.205 0.05 2 81 107 17 GLN C C 176.67 0.1 1 82 107 17 GLN CA C 58.12 0.1 1 83 107 17 GLN CB C 29.16 0.1 1 84 107 17 GLN CG C 33.876 0.1 1 85 107 17 GLN N N 122.029 0.1 1 86 108 18 GLY H H 8.185 0.05 1 87 108 18 GLY HA2 H 3.774 0.05 2 88 108 18 GLY HA3 H 3.774 0.05 2 89 108 18 GLY C C 175.27 0.1 1 90 108 18 GLY CA C 45.99 0.1 1 91 108 18 GLY N N 108.62 0.1 1 92 109 19 ARG H H 7.846 0.05 1 93 109 19 ARG HA H 4.139 0.05 1 94 109 19 ARG HB2 H 1.733 0.05 2 95 109 19 ARG HB3 H 1.733 0.05 2 96 109 19 ARG HG2 H 1.594 0.05 2 97 109 19 ARG HG3 H 1.594 0.05 2 98 109 19 ARG HD2 H 3.072 0.05 2 99 109 19 ARG HD3 H 3.072 0.05 2 100 109 19 ARG C C 177.97 0.1 1 101 109 19 ARG CA C 57.85 0.1 1 102 109 19 ARG CB C 30.65 0.1 1 103 109 19 ARG CG C 27.298 0.1 1 104 109 19 ARG CD C 43.331 0.1 1 105 109 19 ARG N N 120.774 0.1 1 106 110 20 VAL H H 7.828 0.05 1 107 110 20 VAL HA H 3.64 0.05 1 108 110 20 VAL HB H 2.01 0.05 1 109 110 20 VAL HG1 H 0.85 0.05 2 110 110 20 VAL HG2 H 0.779 0.05 2 111 110 20 VAL C C 177.17 0.1 1 112 110 20 VAL CA C 65.67 0.1 1 113 110 20 VAL CB C 32.1 0.1 1 114 110 20 VAL CG1 C 22.364 0.1 2 115 110 20 VAL CG2 C 21.486 0.1 2 116 110 20 VAL N N 119.12 0.1 1 117 111 21 TYR H H 7.768 0.05 1 118 111 21 TYR HA H 4.06 0.05 1 119 111 21 TYR HB2 H 2.898 0.05 2 120 111 21 TYR HB3 H 2.898 0.05 2 121 111 21 TYR HD1 H 6.957 0.05 3 122 111 21 TYR HD2 H 6.957 0.05 3 123 111 21 TYR C C 176.77 0.1 1 124 111 21 TYR CA C 60.42 0.1 1 125 111 21 TYR CB C 38.02 0.1 1 126 111 21 TYR N N 120.208 0.1 1 127 112 22 ASN H H 7.904 0.05 1 128 112 22 ASN HA H 4.267 0.05 1 129 112 22 ASN HB2 H 2.668 0.05 2 130 112 22 ASN HB3 H 2.668 0.05 2 131 112 22 ASN C C 176.97 0.1 1 132 112 22 ASN CA C 55.75 0.1 1 133 112 22 ASN CB C 38.59 0.1 1 134 112 22 ASN N N 117.109 0.1 1 135 113 23 PHE H H 7.63 0.05 1 136 113 23 PHE HA H 4.212 0.05 1 137 113 23 PHE HB2 H 3.076 0.05 2 138 113 23 PHE HB3 H 3.076 0.05 2 139 113 23 PHE HD1 H 7.064 0.05 3 140 113 23 PHE HD2 H 7.064 0.05 3 141 113 23 PHE C C 176.27 0.1 1 142 113 23 PHE CA C 60.22 0.1 1 143 113 23 PHE CB C 39.38 0.1 1 144 113 23 PHE N N 119.538 0.1 1 145 114 24 LEU H H 7.616 0.05 1 146 114 24 LEU HA H 3.937 0.05 1 147 114 24 LEU HB2 H 1.673 0.05 2 148 114 24 LEU HB3 H 1.673 0.05 2 149 114 24 LEU HG H 1.398 0.05 1 150 114 24 LEU HD1 H 0.707 0.05 2 151 114 24 LEU HD2 H 0.669 0.05 2 152 114 24 LEU C C 176.87 0.1 1 153 114 24 LEU CA C 56.24 0.1 1 154 114 24 LEU CB C 42.3 0.1 1 155 114 24 LEU CD1 C 25.909 0.1 2 156 114 24 LEU CD2 C 23.122 0.1 2 157 114 24 LEU N N 117.941 0.1 1 158 115 25 GLU H H 7.366 0.05 1 159 115 25 GLU HA H 4.062 0.05 1 160 115 25 GLU HB2 H 1.92 0.05 2 161 115 25 GLU HB3 H 1.778 0.05 2 162 115 25 GLU HG2 H 2.176 0.05 2 163 115 25 GLU HG3 H 2.142 0.05 2 164 115 25 GLU C C 175.87 0.1 1 165 115 25 GLU CA C 56.49 0.1 1 166 115 25 GLU CB C 29.16 0.1 1 167 115 25 GLU CG C 33.19 0.1 1 168 115 25 GLU N N 116.22 0.1 1 169 116 26 ARG H H 7.43 0.05 1 170 116 26 ARG HA H 4.35 0.05 1 171 116 26 ARG HB2 H 1.458 0.05 2 172 116 26 ARG HB3 H 1.458 0.05 2 173 116 26 ARG HG2 H 1.659 0.05 2 174 116 26 ARG HG3 H 1.659 0.05 2 175 116 26 ARG HD2 H 2.983 0.05 2 176 116 26 ARG HD3 H 2.983 0.05 2 177 116 26 ARG CA C 54.57 0.1 1 178 116 26 ARG CB C 30.41 0.1 1 179 116 26 ARG N N 120.461 0.1 1 180 117 27 PRO HA H 4.116 0.05 1 181 117 27 PRO HB2 H 1.722 0.05 2 182 117 27 PRO HB3 H 1.722 0.05 2 183 117 27 PRO HG2 H 1.862 0.05 2 184 117 27 PRO HG3 H 1.862 0.05 2 185 117 27 PRO C C 176.97 0.1 1 186 117 27 PRO CA C 64.08 0.1 1 187 117 27 PRO CB C 31.388 0.1 1 188 117 27 PRO CG C 27.346 0.1 1 189 118 28 THR H H 7.624 0.05 1 190 118 28 THR HA H 4.139 0.05 1 191 118 28 THR HG2 H 1.069 0.05 1 192 118 28 THR C C 175.47 0.1 1 193 118 28 THR CA C 62.61 0.1 1 194 118 28 THR CB C 70.27 0.1 1 195 118 28 THR CG2 C 21.804 0.1 1 196 118 28 THR N N 112.833 0.1 1 197 119 29 GLY H H 8.198 0.05 1 198 119 29 GLY HA2 H 3.926 0.05 2 199 119 29 GLY HA3 H 3.857 0.05 2 200 119 29 GLY C C 175.37 0.1 1 201 119 29 GLY CA C 45.76 0.1 1 202 119 29 GLY N N 110.924 0.1 1 203 120 30 TRP H H 8.011 0.05 1 204 120 30 TRP HA H 4.424 0.05 1 205 120 30 TRP HB2 H 3.199 0.05 2 206 120 30 TRP HB3 H 3.199 0.05 2 207 120 30 TRP HE1 H 10.113 0.05 1 208 120 30 TRP HE3 H 7.262 0.05 1 209 120 30 TRP C C 177.57 0.1 1 210 120 30 TRP CA C 59.42 0.1 1 211 120 30 TRP CB C 31.55 0.1 1 212 120 30 TRP N N 121.415 0.1 1 213 120 30 TRP NE1 N 130.287 0.1 1 214 121 31 LYS H H 7.588 0.05 1 215 121 31 LYS HA H 3.475 0.05 1 216 121 31 LYS HB2 H 1.393 0.05 2 217 121 31 LYS HB3 H 1.393 0.05 2 218 121 31 LYS HG2 H 0.618 0.05 2 219 121 31 LYS HG3 H 0.618 0.05 2 220 121 31 LYS C C 177.47 0.1 1 221 121 31 LYS CA C 60.74 0.1 1 222 121 31 LYS CB C 32.09 0.1 1 223 121 31 LYS N N 121.769 0.1 1 224 122 32 CYS H H 7.747 0.05 1 225 122 32 CYS HA H 3.998 0.05 1 226 122 32 CYS HB2 H 2.837 0.05 2 227 122 32 CYS HB3 H 2.884 0.05 2 228 122 32 CYS C C 177.17 0.1 1 229 122 32 CYS CA C 61.95 0.1 1 230 122 32 CYS CB C 26.8 0.1 1 231 122 32 CYS N N 117.404 0.1 1 232 123 33 PHE H H 7.86 0.05 1 233 123 33 PHE HA H 4.228 0.05 1 234 123 33 PHE HB2 H 2.874 0.05 2 235 123 33 PHE HB3 H 3.177 0.05 2 236 123 33 PHE HD1 H 7.079 0.05 3 237 123 33 PHE HD2 H 7.079 0.05 3 238 123 33 PHE C C 177.07 0.1 1 239 123 33 PHE CA C 61.72 0.1 1 240 123 33 PHE CB C 39.25 0.1 1 241 123 33 PHE N N 120.831 0.1 1 242 124 34 VAL H H 8.242 0.05 1 243 124 34 VAL HA H 3.47 0.05 1 244 124 34 VAL HB H 2.168 0.05 1 245 124 34 VAL HG1 H 1.145 0.05 2 246 124 34 VAL HG2 H 0.937 0.05 2 247 124 34 VAL C C 177.17 0.1 1 248 124 34 VAL CA C 67.49 0.1 1 249 124 34 VAL CB C 31.84 0.1 1 250 124 34 VAL CG1 C 23.546 0.1 2 251 124 34 VAL CG2 C 21.948 0.1 2 252 124 34 VAL N N 119.01 0.1 1 253 125 35 TYR H H 8.099 0.05 1 254 125 35 TYR HA H 4.179 0.05 1 255 125 35 TYR HB2 H 2.994 0.05 2 256 125 35 TYR HB3 H 2.884 0.05 2 257 125 35 TYR HD1 H 6.731 0.05 3 258 125 35 TYR HD2 H 6.731 0.05 3 259 125 35 TYR C C 177.27 0.1 1 260 125 35 TYR CA C 60.83 0.1 1 261 125 35 TYR CB C 37.89 0.1 1 262 125 35 TYR N N 119.02 0.1 1 263 126 36 HIS H H 7.796 0.05 1 264 126 36 HIS HA H 4.044 0.05 1 265 126 36 HIS HB2 H 3.115 0.05 2 266 126 36 HIS HB3 H 3.115 0.05 2 267 126 36 HIS HD2 H 6.975 0.05 1 268 126 36 HIS C C 176.37 0.1 1 269 126 36 HIS CA C 59.37 0.1 1 270 126 36 HIS N N 114.92 0.1 1 271 127 37 PHE H H 8.506 0.05 1 272 127 37 PHE HA H 4.558 0.05 1 273 127 37 PHE HB2 H 2.948 0.05 2 274 127 37 PHE HB3 H 2.683 0.05 2 275 127 37 PHE HD1 H 6.963 0.05 3 276 127 37 PHE HD2 H 6.963 0.05 3 277 127 37 PHE C C 176.37 0.1 1 278 127 37 PHE CA C 60.81 0.1 1 279 127 37 PHE CB C 39.285 0.1 1 280 127 37 PHE N N 119.975 0.1 1 281 128 38 ALA H H 8.366 0.05 1 282 128 38 ALA HA H 3.73 0.05 1 283 128 38 ALA HB H 1.384 0.05 1 284 128 38 ALA C C 178.67 0.1 1 285 128 38 ALA CA C 56.09 0.1 1 286 128 38 ALA CB C 18.53 0.1 1 287 128 38 ALA N N 121.279 0.1 1 288 129 39 VAL H H 7.595 0.05 1 289 129 39 VAL HA H 3.341 0.05 1 290 129 39 VAL HB H 1.911 0.05 1 291 129 39 VAL HG1 H 0.771 0.05 2 292 129 39 VAL HG2 H 0.697 0.05 2 293 129 39 VAL C C 177.07 0.1 1 294 129 39 VAL CA C 67.34 0.1 1 295 129 39 VAL CB C 31.75 0.1 1 296 129 39 VAL CG1 C 22.926 0.1 2 297 129 39 VAL CG2 C 21.547 0.1 2 298 129 39 VAL N N 115.494 0.1 1 299 130 40 PHE H H 7.596 0.05 1 300 130 40 PHE HA H 3.948 0.05 1 301 130 40 PHE HB2 H 2.988 0.05 2 302 130 40 PHE HB3 H 2.988 0.05 2 303 130 40 PHE HD1 H 6.896 0.05 3 304 130 40 PHE HD2 H 6.896 0.05 3 305 130 40 PHE CA C 61.18 0.1 1 306 130 40 PHE CB C 38.72 0.1 1 307 130 40 PHE N N 119.144 0.1 1 308 131 41 LEU H H 8.047 0.05 1 309 131 41 LEU HA H 3.573 0.05 1 310 131 41 LEU HB2 H 1.457 0.05 2 311 131 41 LEU HB3 H 1.457 0.05 2 312 131 41 LEU HG H 1.322 0.05 1 313 131 41 LEU HD1 H 0.604 0.05 2 314 131 41 LEU HD2 H 0.618 0.05 2 315 131 41 LEU CD1 C 24.867 0.1 2 316 131 41 LEU CD2 C 23.863 0.1 2 317 131 41 LEU N N 118.65 0.1 1 318 132 42 ILE H H 7.896 0.05 1 319 132 42 ILE HA H 3.399 0.05 1 320 132 42 ILE HB H 1.845 0.05 1 321 132 42 ILE HG12 H 0.886 0.05 2 322 132 42 ILE HG13 H 1.708 0.05 2 323 132 42 ILE HG2 H 0.715 0.05 1 324 132 42 ILE HD1 H 0.639 0.05 1 325 132 42 ILE CA C 66.12 0.1 1 326 132 42 ILE CG2 C 17.62 0.1 1 327 132 42 ILE CD1 C 13.063 0.1 1 328 132 42 ILE N N 118.482 0.1 1 329 133 43 VAL H H 7.965 0.05 1 330 133 43 VAL HA H 3.309 0.05 1 331 133 43 VAL HB H 2.033 0.05 1 332 133 43 VAL HG1 H 0.875 0.05 2 333 133 43 VAL HG2 H 0.702 0.05 2 334 133 43 VAL C C 178.37 0.1 1 335 133 43 VAL CA C 67.7 0.1 1 336 133 43 VAL CB C 31.64 0.1 1 337 133 43 VAL CG1 C 23.172 0.1 2 338 133 43 VAL CG2 C 21.705 0.1 2 339 133 43 VAL N N 120.609 0.1 1 340 134 44 LEU H H 8.105 0.05 1 341 134 44 LEU HA H 3.721 0.05 1 342 134 44 LEU HB2 H 1.517 0.05 2 343 134 44 LEU HB3 H 1.517 0.05 2 344 134 44 LEU HG H 1.242 0.05 1 345 134 44 LEU HD1 H 0.602 0.05 2 346 134 44 LEU HD2 H 0.616 0.05 2 347 134 44 LEU CA C 58.79 0.1 1 348 134 44 LEU CB C 42.02 0.1 1 349 134 44 LEU CD1 C 24.929 0.1 2 350 134 44 LEU CD2 C 23.843 0.1 2 351 134 44 LEU N N 120.212 0.1 1 352 135 45 VAL H H 8.303 0.05 1 353 135 45 VAL HA H 3.367 0.05 1 354 135 45 VAL HB H 2.081 0.05 1 355 135 45 VAL HG1 H 0.882 0.05 2 356 135 45 VAL HG2 H 0.752 0.05 2 357 135 45 VAL C C 177.77 0.1 1 358 135 45 VAL CA C 67.66 0.1 1 359 135 45 VAL CB C 31.4 0.1 1 360 135 45 VAL CG1 C 23.194 0.1 2 361 135 45 VAL CG2 C 21.859 0.1 2 362 135 45 VAL N N 118.35 0.1 1 363 136 46 CYS H H 8.041 0.05 1 364 136 46 CYS HA H 3.957 0.05 1 365 136 46 CYS HB2 H 3.035 0.05 2 366 136 46 CYS HB3 H 3.035 0.05 2 367 136 46 CYS C C 177.67 0.1 1 368 136 46 CYS CA C 64.86 0.1 1 369 136 46 CYS CB C 26.8 0.1 1 370 136 46 CYS N N 118.329 0.1 1 371 137 47 LEU H H 8.436 0.05 1 372 137 47 LEU HA H 3.945 0.05 1 373 137 47 LEU HB2 H 1.608 0.05 2 374 137 47 LEU HB3 H 1.608 0.05 2 375 137 47 LEU HG H 0.83 0.05 1 376 137 47 LEU HD1 H 0.691 0.05 2 377 137 47 LEU HD2 H 0.681 0.05 2 378 137 47 LEU C C 177.77 0.1 1 379 137 47 LEU CA C 58.44 0.1 1 380 137 47 LEU CB C 42.1 0.1 1 381 137 47 LEU CD1 C 24.881 0.1 2 382 137 47 LEU CD2 C 24.206 0.1 2 383 137 47 LEU N N 122.577 0.1 1 384 138 48 ILE H H 7.962 0.05 1 385 138 48 ILE HA H 3.451 0.05 1 386 138 48 ILE HB H 1.994 0.05 1 387 138 48 ILE HG12 H 1.723 0.05 2 388 138 48 ILE HG13 H 0.954 0.05 2 389 138 48 ILE HG2 H 0.77 0.05 1 390 138 48 ILE HD1 H 0.703 0.05 1 391 138 48 ILE C C 177.87 0.1 1 392 138 48 ILE CA C 65.83 0.1 1 393 138 48 ILE CB C 37.75 0.1 1 394 138 48 ILE CG2 C 17.499 0.1 1 395 138 48 ILE CD1 C 13.519 0.1 1 396 138 48 ILE N N 119.07 0.1 1 397 139 49 PHE H H 8.462 0.05 1 398 139 49 PHE HA H 4.045 0.05 1 399 139 49 PHE HB2 H 3.036 0.05 2 400 139 49 PHE HB3 H 3.036 0.05 2 401 139 49 PHE HD1 H 7.077 0.05 3 402 139 49 PHE HD2 H 7.077 0.05 3 403 139 49 PHE C C 178.27 0.1 1 404 139 49 PHE CA C 62.08 0.1 1 405 139 49 PHE CB C 38.86 0.1 1 406 139 49 PHE N N 118.311 0.1 1 407 140 50 SER H H 8.137 0.05 1 408 140 50 SER HA H 3.648 0.05 1 409 140 50 SER C C 176.3 0.1 1 410 140 50 SER CA C 56.5 0.1 1 411 140 50 SER N N 116.81 0.1 1 412 141 51 VAL H H 8.129 0.05 1 413 141 51 VAL HA H 3.533 0.05 1 414 141 51 VAL HB H 2.106 0.05 1 415 141 51 VAL HG1 H 0.905 0.05 2 416 141 51 VAL HG2 H 0.771 0.05 2 417 141 51 VAL C C 176.97 0.1 1 418 141 51 VAL CA C 67.36 0.1 1 419 141 51 VAL CG1 C 23.267 0.1 2 420 141 51 VAL CG2 C 21.682 0.1 2 421 141 51 VAL N N 120.199 0.1 1 422 142 52 LEU H H 7.98 0.05 1 423 142 52 LEU HD1 H 0.672 0.05 2 424 142 52 LEU HD2 H 0.672 0.05 2 425 142 52 LEU C C 178.47 0.1 1 426 142 52 LEU CA C 58.62 0.1 1 427 142 52 LEU CB C 42.31 0.1 1 428 142 52 LEU N N 121.651 0.1 1 429 143 53 SER H H 8.153 0.05 1 430 143 53 SER C C 176.27 0.1 1 431 143 53 SER CA C 61.95 0.1 1 432 143 53 SER CB C 63.13 0.1 1 433 143 53 SER N N 112.84 0.1 1 434 144 54 THR H H 7.482 0.05 1 435 144 54 THR HA H 3.838 0.05 1 436 144 54 THR HB H 4.02 0.05 1 437 144 54 THR HG2 H 1.151 0.05 1 438 144 54 THR C C 176.17 0.1 1 439 144 54 THR CG2 C 21.918 0.1 1 440 144 54 THR N N 117.788 0.1 1 441 145 55 ILE H H 7.958 0.05 1 442 145 55 ILE HA H 3.861 0.05 1 443 145 55 ILE HB H 1.951 0.05 1 444 145 55 ILE HG12 H 1.656 0.05 2 445 145 55 ILE HG13 H 1.131 0.05 2 446 145 55 ILE HG2 H 0.809 0.05 1 447 145 55 ILE HD1 H 0.717 0.05 1 448 145 55 ILE C C 177.47 0.1 1 449 145 55 ILE CA C 64.99 0.1 1 450 145 55 ILE CB C 38.36 0.1 1 451 145 55 ILE CG2 C 17.718 0.1 1 452 145 55 ILE CD1 C 13.943 0.1 1 453 145 55 ILE N N 121.015 0.1 1 454 146 56 GLU H H 8.113 0.05 1 455 146 56 GLU HA H 3.935 0.05 1 456 146 56 GLU HB2 H 1.974 0.05 2 457 146 56 GLU HB3 H 1.974 0.05 2 458 146 56 GLU C C 177.57 0.1 1 459 146 56 GLU CA C 58.73 0.1 1 460 146 56 GLU CB C 33.51 0.1 1 461 146 56 GLU N N 119.156 0.1 1 462 147 57 GLN H H 7.667 0.05 1 463 147 57 GLN HA H 3.96 0.05 1 464 147 57 GLN HB2 H 2.024 0.05 2 465 147 57 GLN HB3 H 2.024 0.05 2 466 147 57 GLN C C 177.17 0.1 1 467 147 57 GLN CA C 58.1 0.1 1 468 147 57 GLN CB C 28.59 0.1 1 469 147 57 GLN N N 117.467 0.1 1 470 148 58 TYR H H 7.663 0.05 1 471 148 58 TYR HD1 H 7.013 0.05 3 472 148 58 TYR HD2 H 7.013 0.05 3 473 148 58 TYR HE1 H 6.282 0.05 3 474 148 58 TYR HE2 H 6.282 0.05 3 475 148 58 TYR C C 178.07 0.1 1 476 148 58 TYR CB C 38.98 0.1 1 477 148 58 TYR N N 118.297 0.1 1 478 149 59 ALA H H 7.76 0.05 1 479 149 59 ALA HA H 4.151 0.05 1 480 149 59 ALA HB H 1.273 0.05 1 481 149 59 ALA C C 177.77 0.1 1 482 149 59 ALA CA C 55.94 0.1 1 483 149 59 ALA CB C 19.44 0.1 1 484 149 59 ALA N N 119.725 0.1 1 485 150 60 ALA H H 7.841 0.05 1 486 150 60 ALA HA H 4.093 0.05 1 487 150 60 ALA HB H 1.28 0.05 1 488 150 60 ALA C C 178.47 0.1 1 489 150 60 ALA CA C 53.79 0.1 1 490 150 60 ALA CB C 18.63 0.1 1 491 150 60 ALA N N 120.3 0.1 1 492 151 61 LEU H H 7.6 0.05 1 493 151 61 LEU HA H 3.773 0.05 1 494 151 61 LEU HB2 H 1.675 0.05 2 495 151 61 LEU HB3 H 1.675 0.05 2 496 151 61 LEU HG H 1.601 0.05 1 497 151 61 LEU HD1 H 0.758 0.05 2 498 151 61 LEU HD2 H 0.8 0.05 2 499 151 61 LEU C C 177.47 0.1 1 500 151 61 LEU CA C 56.06 0.1 1 501 151 61 LEU CB C 42.77 0.1 1 502 151 61 LEU CD1 C 24.887 0.1 2 503 151 61 LEU CD2 C 24.84 0.1 2 504 151 61 LEU N N 119.092 0.1 1 505 152 62 ALA H H 7.8 0.05 1 506 152 62 ALA HA H 4.125 0.05 1 507 152 62 ALA HB H 1.23 0.05 1 508 152 62 ALA C C 177.57 0.1 1 509 152 62 ALA CA C 53.31 0.1 1 510 152 62 ALA CB C 19.28 0.1 1 511 152 62 ALA N N 122.599 0.1 1 512 153 63 THR H H 7.645 0.05 1 513 153 63 THR HA H 4.077 0.05 1 514 153 63 THR HG2 H 0.952 0.05 1 515 153 63 THR C C 177.87 0.1 1 516 153 63 THR CA C 65.78 0.1 1 517 153 63 THR CG2 C 21.559 0.1 1 518 153 63 THR N N 111.308 0.1 1 519 154 64 GLY H H 8.06 0.05 1 520 154 64 GLY HA2 H 4.001 0.05 2 521 154 64 GLY HA3 H 4.001 0.05 2 522 154 64 GLY CA C 44.52 0.1 1 523 154 64 GLY N N 110.678 0.1 1 524 157 67 PHE C C 176.67 0.1 1 525 157 67 PHE CB C 39.148 0.1 1 526 158 68 TRP H H 7.465 0.05 1 527 158 68 TRP HA H 4.134 0.05 1 528 158 68 TRP HB2 H 3.145 0.05 2 529 158 68 TRP HB3 H 3.145 0.05 2 530 158 68 TRP HE1 H 10.041 0.05 1 531 158 68 TRP HE3 H 7.26 0.05 1 532 158 68 TRP CA C 59.94 0.1 1 533 158 68 TRP N N 118.62 0.1 1 534 158 68 TRP NE1 N 129.346 0.1 1 535 160 70 GLU C C 176.07 0.1 1 536 161 71 ILE H H 7.499 0.05 1 537 161 71 ILE HA H 3.893 0.05 1 538 161 71 ILE HB H 1.858 0.05 1 539 161 71 ILE HG13 H 1.145 0.05 2 540 161 71 ILE HG2 H 0.831 0.05 1 541 161 71 ILE HD1 H 0.746 0.05 1 542 161 71 ILE C C 177.47 0.1 1 543 161 71 ILE CA C 64.507 0.1 1 544 161 71 ILE CB C 37.12 0.1 1 545 161 71 ILE CD1 C 13.135 0.1 1 546 161 71 ILE N N 118.609 0.1 1 547 162 72 VAL H H 7.732 0.05 1 548 162 72 VAL HA H 3.305 0.05 1 549 162 72 VAL HG1 H 0.722 0.05 2 550 162 72 VAL HG2 H 0.869 0.05 2 551 162 72 VAL C C 177.77 0.1 1 552 162 72 VAL CA C 67.281 0.1 1 553 162 72 VAL CB C 31.55 0.1 1 554 162 72 VAL N N 119.107 0.1 1 555 163 73 LEU H H 8.111 0.05 1 556 163 73 LEU HB2 H 1.684 0.05 2 557 163 73 LEU HB3 H 1.684 0.05 2 558 163 73 LEU HG H 1.438 0.05 1 559 163 73 LEU HD1 H 0.803 0.05 2 560 163 73 LEU HD2 H 0.676 0.05 2 561 163 73 LEU C C 176.4 0.1 1 562 163 73 LEU CA C 56.38 0.1 1 563 163 73 LEU CB C 41.89 0.1 1 564 163 73 LEU CD2 C 25.119 0.1 2 565 163 73 LEU N N 121.72 0.1 1 566 164 74 VAL H H 7.968 0.05 1 567 164 74 VAL CB C 31.9 0.1 1 568 164 74 VAL N N 120.97 0.1 1 569 167 77 PHE C C 175.57 0.1 1 570 168 78 GLY HA2 H 3.795 0.05 2 571 168 78 GLY HA3 H 3.795 0.05 2 572 168 78 GLY C C 174.77 0.1 1 573 168 78 GLY CA C 45.49 0.1 1 574 169 79 THR H H 8.2 0.05 1 575 169 79 THR HA H 4.431 0.05 1 576 169 79 THR C C 176.17 0.1 1 577 169 79 THR N N 118.311 0.1 1 578 170 80 GLU H H 7.899 0.05 1 579 170 80 GLU HA H 3.633 0.05 1 580 170 80 GLU HB2 H 2.013 0.05 2 581 170 80 GLU HB3 H 2.013 0.05 2 582 170 80 GLU C C 176.67 0.1 1 583 170 80 GLU CB C 31.733 0.1 1 584 170 80 GLU N N 120.166 0.1 1 585 171 81 TYR H H 7.785 0.05 1 586 171 81 TYR HD1 H 6.89 0.05 3 587 171 81 TYR HD2 H 6.89 0.05 3 588 171 81 TYR C C 177.67 0.1 1 589 171 81 TYR CA C 64.03 0.1 1 590 171 81 TYR CB C 36.94 0.1 1 591 171 81 TYR N N 120.032 0.1 1 592 172 82 VAL H H 7.85 0.05 1 593 172 82 VAL HA H 3.539 0.05 1 594 172 82 VAL HB H 2.117 0.05 1 595 172 82 VAL HG1 H 0.893 0.05 2 596 172 82 VAL HG2 H 1.028 0.05 2 597 172 82 VAL C C 177.57 0.1 1 598 172 82 VAL CA C 67.09 0.1 1 599 172 82 VAL CG2 C 21.833 0.1 2 600 172 82 VAL N N 118.441 0.1 1 601 173 83 VAL H H 8.068 0.05 1 602 173 83 VAL HA H 3.543 0.05 1 603 173 83 VAL HB H 2.055 0.05 1 604 173 83 VAL HG1 H 0.887 0.05 2 605 173 83 VAL HG2 H 0.841 0.05 2 606 173 83 VAL C C 178.67 0.1 1 607 173 83 VAL CA C 67.14 0.1 1 608 173 83 VAL CB C 31.86 0.1 1 609 173 83 VAL CG1 C 22.996 0.1 2 610 173 83 VAL CG2 C 21.515 0.1 2 611 173 83 VAL N N 119.439 0.1 1 612 174 84 ARG H H 7.793 0.05 1 613 174 84 ARG HA H 3.952 0.05 1 614 174 84 ARG HB2 H 1.787 0.05 2 615 174 84 ARG HB3 H 1.787 0.05 2 616 174 84 ARG HG2 H 1.523 0.05 2 617 174 84 ARG HG3 H 1.523 0.05 2 618 174 84 ARG HD2 H 3.027 0.05 2 619 174 84 ARG HD3 H 3.027 0.05 2 620 174 84 ARG C C 178.97 0.1 1 621 174 84 ARG CA C 59.63 0.1 1 622 174 84 ARG N N 120.798 0.1 1 623 175 85 LEU H H 7.827 0.05 1 624 175 85 LEU HA H 3.972 0.05 1 625 175 85 LEU HB2 H 1.697 0.05 2 626 175 85 LEU HB3 H 1.697 0.05 2 627 175 85 LEU HG H 1.432 0.05 1 628 175 85 LEU HD1 H 0.705 0.05 2 629 175 85 LEU HD2 H 0.705 0.05 2 630 175 85 LEU C C 178.77 0.1 1 631 175 85 LEU CA C 57.87 0.1 1 632 175 85 LEU CB C 42.35 0.1 1 633 175 85 LEU CD1 C 25.184 0.1 2 634 175 85 LEU CD2 C 25.184 0.1 2 635 175 85 LEU N N 121.024 0.1 1 636 176 86 TRP H H 8.319 0.05 1 637 176 86 TRP HA H 4.251 0.05 1 638 176 86 TRP HB2 H 3.314 0.05 2 639 176 86 TRP HB3 H 3.151 0.05 2 640 176 86 TRP HE1 H 9.789 0.05 1 641 176 86 TRP C C 177.97 0.1 1 642 176 86 TRP CA C 59.99 0.1 1 643 176 86 TRP CB C 29.39 0.1 1 644 176 86 TRP N N 120.518 0.1 1 645 176 86 TRP NE1 N 129.09 0.1 1 646 177 87 SER H H 8.119 0.05 1 647 177 87 SER HA H 3.859 0.05 1 648 177 87 SER HB2 H 3.935 0.05 2 649 177 87 SER HB3 H 3.935 0.05 2 650 177 87 SER C C 175.47 0.1 1 651 177 87 SER CA C 60.81 0.1 1 652 177 87 SER CB C 63.69 0.1 1 653 177 87 SER N N 114.659 0.1 1 654 178 88 ALA H H 7.756 0.05 1 655 178 88 ALA HA H 4.1 0.05 1 656 178 88 ALA HB H 1.37 0.05 1 657 178 88 ALA C C 179.37 0.1 1 658 178 88 ALA CA C 54.06 0.1 1 659 178 88 ALA CB C 19.02 0.1 1 660 178 88 ALA N N 123.942 0.1 1 661 179 89 GLY H H 8.033 0.05 1 662 179 89 GLY HA2 H 3.741 0.05 2 663 179 89 GLY HA3 H 3.741 0.05 2 664 179 89 GLY C C 175.07 0.1 1 665 179 89 GLY CA C 46.611 0.1 1 666 179 89 GLY N N 106.848 0.1 1 667 180 90 CYS H H 7.828 0.05 1 668 180 90 CYS HA H 4.132 0.05 1 669 180 90 CYS HB2 H 2.652 0.05 2 670 180 90 CYS HB3 H 2.619 0.05 2 671 180 90 CYS C C 175.07 0.1 1 672 180 90 CYS CA C 60.53 0.1 1 673 180 90 CYS CB C 27.49 0.1 1 674 180 90 CYS N N 119.098 0.1 1 675 181 91 ARG H H 7.759 0.05 1 676 181 91 ARG HA H 3.941 0.05 1 677 181 91 ARG HB2 H 1.555 0.05 2 678 181 91 ARG HB3 H 1.555 0.05 2 679 181 91 ARG HG2 H 1.34 0.05 2 680 181 91 ARG HG3 H 1.34 0.05 2 681 181 91 ARG HD2 H 2.898 0.05 2 682 181 91 ARG HD3 H 2.898 0.05 2 683 181 91 ARG C C 176.77 0.1 1 684 181 91 ARG CA C 57.88 0.1 1 685 181 91 ARG CB C 30.32 0.1 1 686 181 91 ARG CG C 27.249 0.1 1 687 181 91 ARG CD C 43.321 0.1 1 688 181 91 ARG N N 120.846 0.1 1 689 182 92 SER H H 7.707 0.05 1 690 182 92 SER HA H 3.866 0.05 1 691 182 92 SER C C 175.87 0.1 1 692 182 92 SER CA C 59.88 0.1 1 693 182 92 SER CB C 63.96 0.1 1 694 182 92 SER N N 114.25 0.1 1 695 183 93 LYS H H 7.889 0.05 1 696 183 93 LYS HA H 4.013 0.05 1 697 183 93 LYS HB2 H 1.55 0.05 2 698 183 93 LYS HB3 H 1.55 0.05 2 699 183 93 LYS HG2 H 0.946 0.05 2 700 183 93 LYS HG3 H 0.946 0.05 2 701 183 93 LYS HD2 H 1.432 0.05 2 702 183 93 LYS HD3 H 1.432 0.05 2 703 183 93 LYS C C 177.37 0.1 1 704 183 93 LYS CA C 58.12 0.1 1 705 183 93 LYS CB C 32.51 0.1 1 706 183 93 LYS CG C 24.34 0.1 1 707 183 93 LYS CD C 29.195 0.1 1 708 183 93 LYS CE C 42.224 0.1 1 709 183 93 LYS N N 122.249 0.1 1 710 184 94 TYR H H 7.539 0.05 1 711 184 94 TYR HA H 4.368 0.05 1 712 184 94 TYR HB2 H 3.076 0.05 2 713 184 94 TYR HB3 H 2.715 0.05 2 714 184 94 TYR HD1 H 6.919 0.05 3 715 184 94 TYR HD2 H 6.919 0.05 3 716 184 94 TYR C C 176.47 0.1 1 717 184 94 TYR CA C 59.23 0.1 1 718 184 94 TYR CB C 38.19 0.1 1 719 184 94 TYR N N 117.741 0.1 1 720 185 95 VAL H H 7.395 0.05 1 721 185 95 VAL HA H 3.713 0.05 1 722 185 95 VAL HB H 2.04 0.05 1 723 185 95 VAL HG1 H 0.879 0.05 2 724 185 95 VAL HG2 H 0.904 0.05 2 725 185 95 VAL C C 177.67 0.1 1 726 185 95 VAL CA C 65.42 0.1 1 727 185 95 VAL CB C 32.18 0.1 1 728 185 95 VAL CG1 C 21.249 0.1 2 729 185 95 VAL CG2 C 21.916 0.1 2 730 185 95 VAL N N 118.805 0.1 1 731 186 96 GLY H H 8.037 0.05 1 732 186 96 GLY HA2 H 3.872 0.05 2 733 186 96 GLY HA3 H 3.804 0.05 2 734 186 96 GLY C C 175.77 0.1 1 735 186 96 GLY CA C 45.85 0.1 1 736 186 96 GLY N N 109.39 0.1 1 737 187 97 LEU H H 7.628 0.05 1 738 187 97 LEU HA H 4.013 0.05 1 739 187 97 LEU HB2 H 1.683 0.05 2 740 187 97 LEU HB3 H 1.47 0.05 2 741 187 97 LEU HG H 1.576 0.05 1 742 187 97 LEU HD1 H 0.823 0.05 2 743 187 97 LEU HD2 H 0.733 0.05 2 744 187 97 LEU C C 177.97 0.1 1 745 187 97 LEU CA C 57.374 0.1 1 746 187 97 LEU CB C 42.324 0.1 1 747 187 97 LEU CG C 27.093 0.1 1 748 187 97 LEU CD1 C 25.045 0.1 2 749 187 97 LEU CD2 C 24.22 0.1 2 750 187 97 LEU N N 121.916 0.1 1 751 188 98 TRP H H 7.714 0.05 1 752 188 98 TRP HA H 4.281 0.05 1 753 188 98 TRP HB2 H 3.275 0.05 2 754 188 98 TRP HB3 H 3.204 0.05 2 755 188 98 TRP HD1 H 7.351 0.05 1 756 188 98 TRP HE1 H 9.878 0.05 1 757 188 98 TRP HE3 H 7.122 0.05 1 758 188 98 TRP CA C 59.6 0.1 1 759 188 98 TRP CB C 29.42 0.1 1 760 188 98 TRP N N 118.695 0.1 1 761 188 98 TRP NE1 N 129.08 0.1 1 762 189 99 GLY H H 7.902 0.05 1 763 189 99 GLY HA2 H 3.811 0.05 2 764 189 99 GLY HA3 H 3.681 0.05 2 765 189 99 GLY C C 175.27 0.1 1 766 189 99 GLY CA C 46.06 0.1 1 767 189 99 GLY N N 105.348 0.1 1 768 190 100 ARG H H 7.52 0.05 1 769 190 100 ARG HA H 4.163 0.05 1 770 190 100 ARG HB2 H 1.809 0.05 2 771 190 100 ARG HB3 H 1.809 0.05 2 772 190 100 ARG HG2 H 1.65 0.05 2 773 190 100 ARG HG3 H 1.65 0.05 2 774 190 100 ARG HD2 H 3.074 0.05 2 775 190 100 ARG HD3 H 3.074 0.05 2 776 190 100 ARG C C 176.97 0.1 1 777 190 100 ARG CA C 57.06 0.1 1 778 190 100 ARG CB C 30.57 0.1 1 779 190 100 ARG CG C 27.445 0.1 1 780 190 100 ARG CD C 43.387 0.1 1 781 190 100 ARG N N 119.098 0.1 1 782 191 101 LEU H H 7.433 0.05 1 783 191 101 LEU HA H 4.034 0.05 1 784 191 101 LEU HB2 H 1.534 0.05 2 785 191 101 LEU HB3 H 1.617 0.05 2 786 191 101 LEU HG H 1.242 0.05 1 787 191 101 LEU HD1 H 0.732 0.05 2 788 191 101 LEU HD2 H 0.695 0.05 2 789 191 101 LEU C C 176.67 0.1 1 790 191 101 LEU CA C 55.71 0.1 1 791 191 101 LEU CB C 42.11 0.1 1 792 191 101 LEU CG C 26.869 0.1 1 793 191 101 LEU CD1 C 25.588 0.1 2 794 191 101 LEU CD2 C 23.712 0.1 2 795 191 101 LEU N N 119.617 0.1 1 796 192 102 ARG H H 7.519 0.05 1 797 192 102 ARG HA H 3.879 0.05 1 798 192 102 ARG HB2 H 1.428 0.05 2 799 192 102 ARG HB3 H 1.428 0.05 2 800 192 102 ARG HG2 H 1.192 0.05 2 801 192 102 ARG HG3 H 1.192 0.05 2 802 192 102 ARG HD2 H 2.889 0.05 2 803 192 102 ARG HD3 H 2.889 0.05 2 804 192 102 ARG C C 177.77 0.1 1 805 192 102 ARG CA C 57.07 0.1 1 806 192 102 ARG CB C 30.49 0.1 1 807 192 102 ARG CG C 26.743 0.1 1 808 192 102 ARG CD C 43.351 0.1 1 809 192 102 ARG N N 119.408 0.1 1 810 193 103 PHE H H 7.5 0.05 1 811 193 103 PHE HA H 4.462 0.05 1 812 193 103 PHE HB2 H 3.08 0.05 2 813 193 103 PHE HB3 H 2.811 0.05 2 814 193 103 PHE HD1 H 7.129 0.05 3 815 193 103 PHE HD2 H 7.129 0.05 3 816 193 103 PHE C C 175.17 0.1 1 817 193 103 PHE CA C 57.452 0.1 1 818 193 103 PHE CB C 39.458 0.1 1 819 193 103 PHE N N 118.565 0.1 1 820 194 104 ALA H H 7.636 0.05 1 821 194 104 ALA HA H 4.141 0.05 1 822 194 104 ALA HB H 1.207 0.05 1 823 194 104 ALA C C 176.77 0.1 1 824 194 104 ALA CA C 52.73 0.1 1 825 194 104 ALA CB C 19.38 0.1 1 826 194 104 ALA N N 124.164 0.1 1 827 195 105 ARG H H 7.753 0.05 1 828 195 105 ARG HA H 4.148 0.05 1 829 195 105 ARG HB2 H 1.629 0.05 2 830 195 105 ARG HB3 H 1.759 0.05 2 831 195 105 ARG HG2 H 1.477 0.05 2 832 195 105 ARG HG3 H 1.477 0.05 2 833 195 105 ARG HD2 H 3.069 0.05 2 834 195 105 ARG HD3 H 3.069 0.05 2 835 195 105 ARG C C 175.57 0.1 1 836 195 105 ARG CA C 56.47 0.1 1 837 195 105 ARG CB C 30.85 0.1 1 838 195 105 ARG CG C 27.121 0.1 1 839 195 105 ARG CD C 43.402 0.1 1 840 195 105 ARG N N 118.524 0.1 1 841 196 106 LYS H H 7.861 0.05 1 842 196 106 LYS HA H 4.156 0.05 1 843 196 106 LYS CA C 56.51 0.1 1 844 196 106 LYS N N 121.904 0.1 1 845 197 107 PRO C C 178.37 0.1 1 846 198 108 ILE H H 7.759 0.05 1 847 198 108 ILE HA H 4.018 0.05 1 848 198 108 ILE HB H 1.783 0.05 1 849 198 108 ILE HG12 H 1.472 0.05 2 850 198 108 ILE HG13 H 1.133 0.05 2 851 198 108 ILE HG2 H 0.785 0.05 1 852 198 108 ILE HD1 H 0.729 0.05 1 853 198 108 ILE C C 178.6 0.1 1 854 198 108 ILE CA C 63.42 0.1 1 855 198 108 ILE CB C 42.34 0.1 1 856 198 108 ILE CG2 C 17.55 0.1 1 857 198 108 ILE CD1 C 12.417 0.1 1 858 198 108 ILE N N 120.266 0.1 1 859 199 109 SER H H 7.893 0.05 1 860 199 109 SER HA H 4.135 0.05 1 861 199 109 SER CA C 65.45 0.1 1 862 199 109 SER N N 118.263 0.1 1 863 200 110 ILE H H 8.417 0.05 1 864 200 110 ILE HD1 H 0.615 0.05 1 865 200 110 ILE N N 119.948 0.1 1 866 201 111 ILE H H 8.414 0.05 1 867 201 111 ILE HA H 3.392 0.05 1 868 201 111 ILE HB H 1.831 0.05 1 869 201 111 ILE HG12 H 1.693 0.05 2 870 201 111 ILE HG13 H 0.878 0.05 2 871 201 111 ILE HG2 H 0.628 0.05 1 872 201 111 ILE HD1 H 0.615 0.05 1 873 201 111 ILE C C 176.37 0.1 1 874 201 111 ILE CA C 63.64 0.1 1 875 201 111 ILE CB C 38.38 0.1 1 876 201 111 ILE CG1 C 28.656 0.1 1 877 201 111 ILE CG2 C 17.246 0.1 1 878 201 111 ILE CD1 C 13.138 0.1 1 879 201 111 ILE N N 119.849 0.1 1 880 202 112 ASP H H 7.986 0.05 1 881 202 112 ASP C C 175.47 0.1 1 882 202 112 ASP CA C 56.66 0.1 1 883 202 112 ASP N N 122.898 0.1 1 884 203 113 LEU H H 8.053 0.05 1 885 203 113 LEU HA H 4.101 0.05 1 886 203 113 LEU HB2 H 1.558 0.05 2 887 203 113 LEU HB3 H 1.558 0.05 2 888 203 113 LEU HG H 1.466 0.05 1 889 203 113 LEU HD1 H 0.814 0.05 2 890 203 113 LEU HD2 H 0.768 0.05 2 891 203 113 LEU C C 176.57 0.1 1 892 203 113 LEU CA C 57.46 0.1 1 893 203 113 LEU CB C 41.98 0.1 1 894 203 113 LEU CG C 30.298 0.1 1 895 203 113 LEU CD1 C 24.741 0.1 2 896 203 113 LEU CD2 C 24.197 0.1 2 897 203 113 LEU N N 122.38 0.1 1 898 204 114 ILE H H 7.824 0.05 1 899 204 114 ILE C C 177.37 0.1 1 900 204 114 ILE CA C 65.9 0.1 1 901 204 114 ILE CB C 39.68 0.1 1 902 204 114 ILE N N 119.339 0.1 1 903 205 115 VAL H H 7.997 0.05 1 904 205 115 VAL HA H 3.462 0.05 1 905 205 115 VAL HB H 2.147 0.05 1 906 205 115 VAL HG1 H 0.961 0.05 2 907 205 115 VAL HG2 H 0.833 0.05 2 908 205 115 VAL C C 179 0.1 1 909 205 115 VAL CA C 67.59 0.1 1 910 205 115 VAL CB C 31.82 0.1 1 911 205 115 VAL CG1 C 22.988 0.1 2 912 205 115 VAL CG2 C 21.411 0.1 2 913 205 115 VAL N N 119.401 0.1 1 914 206 116 VAL H H 7.895 0.05 1 915 206 116 VAL HA H 3.64 0.05 1 916 206 116 VAL HB H 2.172 0.05 1 917 206 116 VAL HG1 H 0.995 0.05 2 918 206 116 VAL HG2 H 0.853 0.05 2 919 206 116 VAL C C 178.47 0.1 1 920 206 116 VAL CA C 67.45 0.1 1 921 206 116 VAL CB C 31.94 0.1 1 922 206 116 VAL CG1 C 23.036 0.1 2 923 206 116 VAL CG2 C 21.303 0.1 2 924 206 116 VAL N N 122.017 0.1 1 925 207 117 VAL H H 8.227 0.05 1 926 207 117 VAL HA H 3.504 0.05 1 927 207 117 VAL HB H 2.102 0.05 1 928 207 117 VAL HG1 H 0.936 0.05 2 929 207 117 VAL HG2 H 0.784 0.05 2 930 207 117 VAL C C 177.77 0.1 1 931 207 117 VAL CA C 67.51 0.1 1 932 207 117 VAL CB C 31.78 0.1 1 933 207 117 VAL CG1 C 23.298 0.1 2 934 207 117 VAL CG2 C 21.76 0.1 2 935 207 117 VAL N N 120.652 0.1 1 936 208 118 ALA H H 8.769 0.05 1 937 208 118 ALA HA H 3.794 0.05 1 938 208 118 ALA HB H 1.355 0.05 1 939 208 118 ALA C C 179.27 0.1 1 940 208 118 ALA CA C 56.03 0.1 1 941 208 118 ALA CB C 18.48 0.1 1 942 208 118 ALA N N 121.815 0.1 1 943 209 119 SER H H 8.018 0.05 1 944 209 119 SER HA H 3.995 0.05 1 945 209 119 SER C C 176.07 0.1 1 946 209 119 SER CA C 63.00 0.1 1 947 209 119 SER N N 112.906 0.1 1 948 210 120 MET H H 7.81 0.05 1 949 210 120 MET HA H 4.137 0.05 1 950 210 120 MET HB2 H 2.237 0.05 2 951 210 120 MET HB3 H 1.979 0.05 2 952 210 120 MET HG2 H 2.643 0.05 2 953 210 120 MET HG3 H 2.46 0.05 2 954 210 120 MET C C 178.47 0.1 1 955 210 120 MET CA C 58.94 0.1 1 956 210 120 MET CB C 32.85 0.1 1 957 210 120 MET CG C 32.669 0.1 1 958 210 120 MET N N 121.507 0.1 1 959 211 121 VAL H H 8.152 0.05 1 960 211 121 VAL HA H 3.444 0.05 1 961 211 121 VAL HB H 2.187 0.05 1 962 211 121 VAL HG1 H 0.927 0.05 2 963 211 121 VAL HG2 H 0.772 0.05 2 964 211 121 VAL C C 179.07 0.1 1 965 211 121 VAL CA C 67.67 0.1 1 966 211 121 VAL CG1 C 23.173 0.1 2 967 211 121 VAL CG2 C 21.835 0.1 2 968 211 121 VAL N N 120.401 0.1 1 969 212 122 VAL H H 7.967 0.05 1 970 212 122 VAL HA H 3.802 0.05 1 971 212 122 VAL HB H 2.086 0.05 1 972 212 122 VAL HG1 H 0.93 0.05 2 973 212 122 VAL C C 177.47 0.1 1 974 212 122 VAL CA C 67.44 0.1 1 975 212 122 VAL CG1 C 23.069 0.1 2 976 212 122 VAL N N 119.056 0.1 1 977 213 123 LEU H H 7.782 0.05 1 978 213 123 LEU HA H 4.027 0.05 1 979 213 123 LEU HB2 H 1.609 0.05 2 980 213 123 LEU HB3 H 1.609 0.05 2 981 213 123 LEU HG H 1.787 0.05 1 982 213 123 LEU HD1 H 0.787 0.05 2 983 213 123 LEU HD2 H 0.787 0.05 2 984 213 123 LEU C C 179.27 0.1 1 985 213 123 LEU CA C 58.5 0.1 1 986 213 123 LEU CB C 42.16 0.1 1 987 213 123 LEU CD1 C 24.049 0.1 2 988 213 123 LEU CD2 C 24.049 0.1 2 989 213 123 LEU N N 119.236 0.1 1 990 214 124 CYS H H 7.933 0.05 1 991 214 124 CYS HA H 4.105 0.05 1 992 214 124 CYS HB2 H 2.959 0.05 2 993 214 124 CYS HB3 H 2.748 0.05 2 994 214 124 CYS C C 176.37 0.1 1 995 214 124 CYS CA C 62.97 0.1 1 996 214 124 CYS CB C 27.84 0.1 1 997 214 124 CYS N N 117.443 0.1 1 998 215 125 VAL H H 8.141 0.05 1 999 215 125 VAL HA H 3.8 0.05 1 1000 215 125 VAL HB H 2.082 0.05 1 1001 215 125 VAL HG1 H 0.891 0.05 2 1002 215 125 VAL HG2 H 0.822 0.05 2 1003 215 125 VAL C C 177.57 0.1 1 1004 215 125 VAL CA C 65.15 0.1 1 1005 215 125 VAL CB C 32.32 0.1 1 1006 215 125 VAL CG1 C 22.022 0.1 2 1007 215 125 VAL CG2 C 21.806 0.1 2 1008 215 125 VAL N N 117.113 0.1 1 1009 216 126 GLY H H 8.063 0.05 1 1010 216 126 GLY HA2 H 3.881 0.05 2 1011 216 126 GLY HA3 H 3.867 0.05 2 1012 216 126 GLY C C 175.07 0.1 1 1013 216 126 GLY CA C 46.05 0.1 1 1014 216 126 GLY N N 108.393 0.1 1 1015 217 127 SER H H 8.000 0.05 1 1016 217 127 SER HB2 H 3.869 0.05 2 1017 217 127 SER HB3 H 3.869 0.05 2 1018 217 127 SER CA C 60.08 0.1 1 1019 217 127 SER CB C 63.84 0.1 1 1020 217 127 SER N N 116.255 0.1 1 1021 218 128 LYS H H 7.993 0.05 1 1022 218 128 LYS HA H 4.192 0.05 1 1023 218 128 LYS HB2 H 1.78 0.05 2 1024 218 128 LYS HB3 H 1.78 0.05 2 1025 218 128 LYS HG2 H 1.389 0.05 2 1026 218 128 LYS HG3 H 1.389 0.05 2 1027 218 128 LYS HD2 H 1.555 0.05 2 1028 218 128 LYS HD3 H 1.555 0.05 2 1029 218 128 LYS C C 177.47 0.1 1 1030 218 128 LYS CA C 57.44 0.1 1 1031 218 128 LYS CB C 32.29 0.1 1 1032 218 128 LYS CG C 25.061 0.1 1 1033 218 128 LYS CD C 28.964 0.1 1 1034 218 128 LYS N N 121.523 0.1 1 1035 219 129 GLY H H 8.097 0.05 1 1036 219 129 GLY HA2 H 3.821 0.05 2 1037 219 129 GLY HA3 H 3.759 0.05 2 1038 219 129 GLY C C 174.77 0.1 1 1039 219 129 GLY CA C 46.32 0.1 1 1040 219 129 GLY N N 107.436 0.1 1 1041 220 130 GLN H H 7.994 0.05 1 1042 220 130 GLN HA H 4.036 0.05 1 1043 220 130 GLN HB2 H 2.024 0.05 2 1044 220 130 GLN HB3 H 2.024 0.05 2 1045 220 130 GLN HG2 H 2.281 0.05 2 1046 220 130 GLN HG3 H 2.281 0.05 2 1047 220 130 GLN C C 177.57 0.1 1 1048 220 130 GLN CA C 58.49 0.1 1 1049 220 130 GLN CB C 28.84 0.1 1 1050 220 130 GLN CG C 33.964 0.1 1 1051 220 130 GLN N N 120.272 0.1 1 1052 221 131 VAL H H 7.674 0.05 1 1053 221 131 VAL HA H 3.763 0.05 1 1054 221 131 VAL HB H 1.92 0.05 1 1055 221 131 VAL HG1 H 0.789 0.05 2 1056 221 131 VAL HG2 H 0.658 0.05 2 1057 221 131 VAL C C 177.27 0.1 1 1058 221 131 VAL CA C 65.07 0.1 1 1059 221 131 VAL CB C 32.12 0.1 1 1060 221 131 VAL CG1 C 20.87 0.1 2 1061 221 131 VAL CG2 C 20.925 0.1 2 1062 221 131 VAL N N 119.204 0.1 1 1063 222 132 PHE H H 7.713 0.05 1 1064 222 132 PHE HA H 4.34 0.05 1 1065 222 132 PHE HB2 H 3.052 0.05 2 1066 222 132 PHE HB3 H 3.009 0.05 2 1067 222 132 PHE HD1 H 7.084 0.05 3 1068 222 132 PHE HD2 H 7.084 0.05 3 1069 222 132 PHE C C 176.37 0.1 1 1070 222 132 PHE CA C 59.62 0.1 1 1071 222 132 PHE CB C 39.09 0.1 1 1072 222 132 PHE N N 120.616 0.1 1 1073 223 133 ALA H H 7.963 0.05 1 1074 223 133 ALA HA H 4.002 0.05 1 1075 223 133 ALA HB H 1.376 0.05 1 1076 223 133 ALA C C 178.47 0.1 1 1077 223 133 ALA CA C 54.74 0.1 1 1078 223 133 ALA CB C 19.06 0.1 1 1079 223 133 ALA N N 121.96 0.1 1 1080 224 134 THR H H 7.908 0.05 1 1081 224 134 THR HA H 3.961 0.05 1 1082 224 134 THR HB H 4.18 0.05 1 1083 224 134 THR HG2 H 1.156 0.05 1 1084 224 134 THR C C 176.27 0.1 1 1085 224 134 THR CA C 64.93 0.1 1 1086 224 134 THR CB C 69.35 0.1 1 1087 224 134 THR CG2 C 21.941 0.1 1 1088 224 134 THR N N 111.166 0.1 1 1089 225 135 SER H H 7.812 0.05 1 1090 225 135 SER HA H 4.138 0.05 1 1091 225 135 SER HB2 H 3.86 0.05 2 1092 225 135 SER HB3 H 3.737 0.05 2 1093 225 135 SER C C 175.57 0.1 1 1094 225 135 SER CA C 61.4 0.1 1 1095 225 135 SER CB C 63.39 0.1 1 1096 225 135 SER N N 117.853 0.1 1 1097 226 136 ALA H H 7.962 0.05 1 1098 226 136 ALA HA H 3.995 0.05 1 1099 226 136 ALA HB H 1.244 0.05 1 1100 226 136 ALA C C 178.57 0.1 1 1101 226 136 ALA CA C 54.81 0.1 1 1102 226 136 ALA CB C 18.91 0.1 1 1103 226 136 ALA N N 124.395 0.1 1 1104 227 137 ILE H H 7.581 0.05 1 1105 227 137 ILE HA H 3.795 0.05 1 1106 227 137 ILE HB H 1.853 0.05 1 1107 227 137 ILE HG12 H 1.499 0.05 2 1108 227 137 ILE HG13 H 1.144 0.05 2 1109 227 137 ILE HG2 H 0.815 0.05 1 1110 227 137 ILE HD1 H 0.746 0.05 1 1111 227 137 ILE C C 177.07 0.1 1 1112 227 137 ILE CA C 63.4 0.1 1 1113 227 137 ILE CB C 38.3 0.1 1 1114 227 137 ILE CG1 C 28.679 0.1 1 1115 227 137 ILE CG2 C 17.873 0.1 1 1116 227 137 ILE CD1 C 13.29 0.1 1 1117 227 137 ILE N N 115.872 0.1 1 1118 228 138 ARG H H 7.615 0.05 1 1119 228 138 ARG HA H 4.026 0.05 1 1120 228 138 ARG HB2 H 1.787 0.05 2 1121 228 138 ARG HB3 H 1.665 0.05 2 1122 228 138 ARG HG2 H 1.553 0.05 2 1123 228 138 ARG HG3 H 1.553 0.05 2 1124 228 138 ARG HD2 H 3.081 0.05 2 1125 228 138 ARG HD3 H 3.081 0.05 2 1126 228 138 ARG C C 177.87 0.1 1 1127 228 138 ARG CA C 58.38 0.1 1 1128 228 138 ARG CB C 30.35 0.1 1 1129 228 138 ARG CG C 27.623 0.1 1 1130 228 138 ARG CD C 43.483 0.1 1 1131 228 138 ARG N N 120.069 0.1 1 1132 229 139 GLY H H 8.028 0.05 1 1133 229 139 GLY HA2 H 3.67 0.05 2 1134 229 139 GLY HA3 H 3.706 0.05 2 1135 229 139 GLY C C 174.47 0.1 1 1136 229 139 GLY CA C 45.92 0.1 1 1137 229 139 GLY N N 107.206 0.1 1 1138 230 140 ILE H H 7.72 0.05 1 1139 230 140 ILE HA H 3.818 0.05 1 1140 230 140 ILE HB H 1.838 0.05 1 1141 230 140 ILE HG12 H 1.535 0.05 2 1142 230 140 ILE HG13 H 1.101 0.05 2 1143 230 140 ILE HG2 H 0.724 0.05 1 1144 230 140 ILE HD1 H 0.735 0.05 1 1145 230 140 ILE C C 176.97 0.1 1 1146 230 140 ILE CA C 63.34 0.1 1 1147 230 140 ILE CB C 38.33 0.1 1 1148 230 140 ILE CG1 C 28.618 0.1 1 1149 230 140 ILE CG2 C 17.674 0.1 1 1150 230 140 ILE CD1 C 13.405 0.1 1 1151 230 140 ILE N N 120.839 0.1 1 1152 231 141 ARG H H 7.978 0.05 1 1153 231 141 ARG HA H 4.159 0.05 1 1154 231 141 ARG HB2 H 1.774 0.05 2 1155 231 141 ARG HB3 H 1.774 0.05 2 1156 231 141 ARG HG2 H 1.524 0.05 2 1157 231 141 ARG HG3 H 1.524 0.05 2 1158 231 141 ARG HD2 H 3.07 0.05 2 1159 231 141 ARG HD3 H 3.07 0.05 2 1160 231 141 ARG HE H 7.155 0.05 1 1161 231 141 ARG HH11 H 6.624 0.05 2 1162 231 141 ARG HH12 H 6.624 0.05 2 1163 231 141 ARG HH21 H 6.576 0.05 2 1164 231 141 ARG HH22 H 6.576 0.05 2 1165 231 141 ARG C C 178.07 0.1 1 1166 231 141 ARG CA C 57.79 0.1 1 1167 231 141 ARG CB C 29.69 0.1 1 1168 231 141 ARG CG C 27.182 0.1 1 1169 231 141 ARG CD C 43.364 0.1 1 1170 231 141 ARG N N 122.794 0.1 1 1171 231 141 ARG NE N 85.887 0.1 1 1172 232 142 PHE H H 7.939 0.05 1 1173 232 142 PHE HA H 4.185 0.05 1 1174 232 142 PHE HB2 H 3.064 0.05 2 1175 232 142 PHE HB3 H 3.064 0.05 2 1176 232 142 PHE HD1 H 7.09 0.05 3 1177 232 142 PHE HD2 H 7.09 0.05 3 1178 232 142 PHE C C 176.97 0.1 1 1179 232 142 PHE CA C 60.91 0.1 1 1180 232 142 PHE CB C 39.19 0.1 1 1181 232 142 PHE N N 119.948 0.1 1 1182 233 143 LEU H H 7.968 0.05 1 1183 233 143 LEU HA H 3.852 0.05 1 1184 233 143 LEU HB2 H 1.744 0.05 2 1185 233 143 LEU HB3 H 1.688 0.05 2 1186 233 143 LEU HG H 1.48 0.05 1 1187 233 143 LEU HD1 H 0.823 0.05 2 1188 233 143 LEU HD2 H 0.772 0.05 2 1189 233 143 LEU C C 178.57 0.1 1 1190 233 143 LEU CA C 57.8 0.1 1 1191 233 143 LEU CB C 41.65 0.1 1 1192 233 143 LEU CG C 26.821 0.1 1 1193 233 143 LEU CD1 C 25.302 0.1 2 1194 233 143 LEU CD2 C 23.646 0.1 2 1195 233 143 LEU N N 118.394 0.1 1 1196 234 144 GLN H H 7.707 0.05 1 1197 234 144 GLN HA H 3.917 0.05 1 1198 234 144 GLN HB2 H 2.114 0.05 2 1199 234 144 GLN HB3 H 2.031 0.05 2 1200 234 144 GLN HG2 H 2.364 0.05 2 1201 234 144 GLN HG3 H 2.304 0.05 2 1202 234 144 GLN C C 178.47 0.1 1 1203 234 144 GLN CA C 58.81 0.1 1 1204 234 144 GLN CB C 28.41 0.1 1 1205 234 144 GLN CG C 33.929 0.1 1 1206 234 144 GLN N N 117.844 0.1 1 1207 235 145 ILE H H 7.552 0.05 1 1208 235 145 ILE HA H 3.715 0.05 1 1209 235 145 ILE HB H 1.858 0.05 1 1210 235 145 ILE HG12 H 1.514 0.05 2 1211 235 145 ILE HG13 H 1.104 0.05 2 1212 235 145 ILE HG2 H 0.756 0.05 1 1213 235 145 ILE HD1 H 0.741 0.05 1 1214 235 145 ILE C C 177.47 0.1 1 1215 235 145 ILE CA C 64.42 0.1 1 1216 235 145 ILE CB C 38.1 0.1 1 1217 235 145 ILE CG1 C 28.683 0.1 1 1218 235 145 ILE CG2 C 17.562 0.1 1 1219 235 145 ILE CD1 C 13.381 0.1 1 1220 235 145 ILE N N 119.738 0.1 1 1221 236 146 LEU H H 7.596 0.05 1 1222 236 146 LEU HA H 3.805 0.05 1 1223 236 146 LEU HB2 H 1.68 0.05 2 1224 236 146 LEU HB3 H 1.403 0.05 2 1225 236 146 LEU HG H 1.548 0.05 1 1226 236 146 LEU HD1 H 0.728 0.05 2 1227 236 146 LEU HD2 H 0.676 0.05 2 1228 236 146 LEU C C 178.77 0.1 1 1229 236 146 LEU CA C 57.92 0.1 1 1230 236 146 LEU CB C 41.61 0.1 1 1231 236 146 LEU CG C 26.871 0.1 1 1232 236 146 LEU CD1 C 25.529 0.1 2 1233 236 146 LEU CD2 C 23.401 0.1 2 1234 236 146 LEU N N 119.23 0.1 1 1235 237 147 ARG H H 7.616 0.05 1 1236 237 147 ARG HA H 3.947 0.05 1 1237 237 147 ARG HB2 H 1.835 0.05 2 1238 237 147 ARG HB3 H 1.778 0.05 2 1239 237 147 ARG HG2 H 1.662 0.05 2 1240 237 147 ARG HG3 H 1.569 0.05 2 1241 237 147 ARG HD2 H 3.066 0.05 2 1242 237 147 ARG HD3 H 3.066 0.05 2 1243 237 147 ARG C C 178.07 0.1 1 1244 237 147 ARG CA C 58.86 0.1 1 1245 237 147 ARG CB C 30.18 0.1 1 1246 237 147 ARG CG C 29.672 0.1 1 1247 237 147 ARG CD C 43.341 0.1 1 1248 237 147 ARG N N 117.15 0.1 1 1249 238 148 MET H H 7.654 0.05 1 1250 238 148 MET HA H 4.12 0.05 1 1251 238 148 MET HB2 H 2.064 0.05 2 1252 238 148 MET HB3 H 2.064 0.05 2 1253 238 148 MET HG2 H 2.594 0.05 2 1254 238 148 MET HG3 H 2.48 0.05 2 1255 238 148 MET C C 176.67 0.1 1 1256 238 148 MET CA C 57.48 0.1 1 1257 238 148 MET CB C 32.86 0.1 1 1258 238 148 MET CG C 32.362 0.1 1 1259 238 148 MET N N 118.359 0.1 1 1260 239 149 LEU H H 7.392 0.05 1 1261 239 149 LEU HA H 4.081 0.05 1 1262 239 149 LEU HB2 H 1.673 0.05 2 1263 239 149 LEU HB3 H 1.673 0.05 2 1264 239 149 LEU HG H 1.435 0.05 1 1265 239 149 LEU HD1 H 0.746 0.05 2 1266 239 149 LEU HD2 H 0.703 0.05 2 1267 239 149 LEU C C 176.37 0.1 1 1268 239 149 LEU CA C 55.9 0.1 1 1269 239 149 LEU CB C 42.57 0.1 1 1270 239 149 LEU CD1 C 25.692 0.1 2 1271 239 149 LEU CD2 C 23.456 0.1 2 1272 239 149 LEU N N 118.752 0.1 1 1273 240 150 HIS H H 7.811 0.05 1 1274 240 150 HIS HA H 4.47 0.05 1 1275 240 150 HIS HB2 H 3.115 0.05 2 1276 240 150 HIS HB3 H 3.207 0.05 2 1277 240 150 HIS HD2 H 7.142 0.05 1 1278 240 150 HIS C C 174.37 0.1 1 1279 240 150 HIS CA C 55.93 0.1 1 1280 240 150 HIS CB C 28.44 0.1 1 1281 240 150 HIS N N 116.795 0.1 1 1282 241 151 VAL H H 7.84 0.05 1 1283 241 151 VAL HA H 3.947 0.05 1 1284 241 151 VAL HB H 1.952 0.05 1 1285 241 151 VAL HG1 H 0.797 0.05 2 1286 241 151 VAL HG2 H 0.78 0.05 2 1287 241 151 VAL C C 175.47 0.1 1 1288 241 151 VAL CA C 63.11 0.1 1 1289 241 151 VAL CB C 33.02 0.1 1 1290 241 151 VAL CG1 C 21.048 0.1 2 1291 241 151 VAL CG2 C 21.47 0.1 2 1292 241 151 VAL N N 119.702 0.1 1 1293 242 152 ASP H H 8.208 0.05 1 1294 242 152 ASP HA H 4.53 0.05 1 1295 242 152 ASP HB2 H 2.656 0.05 2 1296 242 152 ASP HB3 H 2.603 0.05 2 1297 242 152 ASP C C 175.87 0.1 1 1298 242 152 ASP CA C 54 0.1 1 1299 242 152 ASP CB C 40.25 0.1 1 1300 242 152 ASP N N 122.557 0.1 1 1301 243 153 ARG H H 8.01 0.05 1 1302 243 153 ARG HA H 4.163 0.05 1 1303 243 153 ARG HB2 H 1.734 0.05 2 1304 243 153 ARG HB3 H 1.57 0.05 2 1305 243 153 ARG HG2 H 1.442 0.05 2 1306 243 153 ARG HG3 H 1.442 0.05 2 1307 243 153 ARG HD2 H 2.943 0.05 2 1308 243 153 ARG HD3 H 2.943 0.05 2 1309 243 153 ARG C C 176.47 0.1 1 1310 243 153 ARG CA C 56.68 0.1 1 1311 243 153 ARG CB C 30.72 0.1 1 1312 243 153 ARG CG C 27.21 0.1 1 1313 243 153 ARG CD C 43.373 0.1 1 1314 243 153 ARG N N 121.705 0.1 1 1315 244 154 GLN H H 8.155 0.05 1 1316 244 154 GLN HA H 4.186 0.05 1 1317 244 154 GLN HB2 H 1.884 0.05 2 1318 244 154 GLN HB3 H 2.011 0.05 2 1319 244 154 GLN HG2 H 2.213 0.05 2 1320 244 154 GLN HG3 H 2.213 0.05 2 1321 244 154 GLN CA C 56.59 0.1 1 1322 244 154 GLN CB C 29.34 0.1 1 1323 244 154 GLN CG C 33.902 0.1 1 1324 244 154 GLN N N 120.578 0.1 1 1325 245 155 GLY H H 8.157 0.05 1 1326 245 155 GLY HA2 H 3.821 0.05 2 1327 245 155 GLY HA3 H 3.821 0.05 2 1328 245 155 GLY C C 174.57 0.1 1 1329 245 155 GLY CA C 44.94 0.1 1 1330 245 155 GLY N N 109.94 0.1 1 1331 246 156 GLY H H 7.98 0.05 1 1332 246 156 GLY HA2 H 3.816 0.05 2 1333 246 156 GLY HA3 H 3.816 0.05 2 1334 246 156 GLY C C 174.07 0.1 1 1335 246 156 GLY CA C 44.99 0.1 1 1336 246 156 GLY N N 109.007 0.1 1 1337 247 157 THR H H 7.722 0.05 1 1338 247 157 THR HA H 4.21 0.05 1 1339 247 157 THR HB H 3.99 0.05 1 1340 247 157 THR HG2 H 0.964 0.05 1 1341 247 157 THR C C 174.07 0.1 1 1342 247 157 THR CA C 62.1 0.1 1 1343 247 157 THR CB C 70.15 0.1 1 1344 247 157 THR CG2 C 21.359 0.1 1 1345 247 157 THR N N 113.87 0.1 1 1346 248 158 TRP H H 7.909 0.05 1 1347 248 158 TRP HA H 4.57 0.05 1 1348 248 158 TRP HB2 H 3.124 0.05 2 1349 248 158 TRP HB3 H 3.124 0.05 2 1350 248 158 TRP HE1 H 9.941 0.05 1 1351 248 158 TRP HE3 H 7.112 0.05 1 1352 248 158 TRP C C 174.97 0.1 1 1353 248 158 TRP CA C 57.5 0.1 1 1354 248 158 TRP CB C 29.72 0.1 1 1355 248 158 TRP N N 123.276 0.1 1 1356 248 158 TRP NE1 N 129.77 0.1 1 1357 249 159 ARG H H 7.449 0.05 1 1358 249 159 ARG HA H 4.038 0.05 1 1359 249 159 ARG HB2 H 1.623 0.05 2 1360 249 159 ARG HB3 H 1.476 0.05 2 1361 249 159 ARG HG2 H 1.24 0.05 2 1362 249 159 ARG HG3 H 0.971 0.05 2 1363 249 159 ARG CA C 57.09 0.1 1 1364 249 159 ARG CB C 31.384 0.1 1 1365 249 159 ARG N N 124.826 0.1 1 stop_ save_