data_34103 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of TRBP dsRBD 1 and 2 in complex with a 19 bp siRNA (Complex B) ; _BMRB_accession_number 34103 _BMRB_flat_file_name bmr34103.str _Entry_type original _Submission_date 2017-02-23 _Accession_date 2017-02-23 _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 Masliah G. . . 2 Maris C. . . 3 Allain H. T.F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 900 "13C chemical shifts" 515 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-17 update BMRB 'update entry citation' 2018-02-19 original author 'original release' stop_ _Original_release_date 2018-02-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of siRNA recognition by TRBP double-stranded RNA binding domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29449323 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Masliah G. . . 2 Maris C. . . 3 Koenig L. B.S. . 4 Yulikov M. . . 5 Aeschimann F. . . 6 Malinowska A. L. . 7 Mabille J. . . 8 Weiler J. . . 9 Holla A. . . 10 Meisner-Kober N. . . 11 Meisner-Kober N. . . 12 Schuler B. . . 13 Jeschke G. . . 14 Allain H. T.F. . stop_ _Journal_abbreviation 'Embo J.' _Journal_volume 37 _Journal_issue 6 _Journal_ASTM EMJODG _Journal_ISSN 1460-2075 _Journal_CSD 0897 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e97089 _Page_last e97089 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RISC-loading complex subunit TARBP2/RNA Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 entity_3 $entity_3 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 23012.332 _Mol_thiol_state . _Details 'huTRBP N-terminal dsRBD1 and 2 (residues 16 to 227)' ############################## # Polymer residue sequence # ############################## _Residue_count 215 _Mol_residue_sequence ; GGSLPSIEQMLAANPGKTPI SLLQEYGTRIGKTPVYDLLK AEGQAHQPNFTFRVTVGDTS CTGQGPSKKAAKHKAAEVAL KHLKGGSMLEPALEDSSSFS PLDSSLPEDIPVFTAAAAAT PVPSVVLTRSPPMELQPPVS PQQSECNPVGALQELVVQKG WRLPEYTVTQESGPAHRKEF TMTCRVERFIEIGSGTSKKL AKRNAAAKMLLRVHT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 GLY 2 14 GLY 3 15 SER 4 16 LEU 5 17 PRO 6 18 SER 7 19 ILE 8 20 GLU 9 21 GLN 10 22 MET 11 23 LEU 12 24 ALA 13 25 ALA 14 26 ASN 15 27 PRO 16 28 GLY 17 29 LYS 18 30 THR 19 31 PRO 20 32 ILE 21 33 SER 22 34 LEU 23 35 LEU 24 36 GLN 25 37 GLU 26 38 TYR 27 39 GLY 28 40 THR 29 41 ARG 30 42 ILE 31 43 GLY 32 44 LYS 33 45 THR 34 46 PRO 35 47 VAL 36 48 TYR 37 49 ASP 38 50 LEU 39 51 LEU 40 52 LYS 41 53 ALA 42 54 GLU 43 55 GLY 44 56 GLN 45 57 ALA 46 58 HIS 47 59 GLN 48 60 PRO 49 61 ASN 50 62 PHE 51 63 THR 52 64 PHE 53 65 ARG 54 66 VAL 55 67 THR 56 68 VAL 57 69 GLY 58 70 ASP 59 71 THR 60 72 SER 61 73 CYS 62 74 THR 63 75 GLY 64 76 GLN 65 77 GLY 66 78 PRO 67 79 SER 68 80 LYS 69 81 LYS 70 82 ALA 71 83 ALA 72 84 LYS 73 85 HIS 74 86 LYS 75 87 ALA 76 88 ALA 77 89 GLU 78 90 VAL 79 91 ALA 80 92 LEU 81 93 LYS 82 94 HIS 83 95 LEU 84 96 LYS 85 97 GLY 86 98 GLY 87 99 SER 88 100 MET 89 101 LEU 90 102 GLU 91 103 PRO 92 104 ALA 93 105 LEU 94 106 GLU 95 107 ASP 96 108 SER 97 109 SER 98 110 SER 99 111 PHE 100 112 SER 101 113 PRO 102 114 LEU 103 115 ASP 104 116 SER 105 117 SER 106 118 LEU 107 119 PRO 108 120 GLU 109 121 ASP 110 122 ILE 111 123 PRO 112 124 VAL 113 125 PHE 114 126 THR 115 127 ALA 116 128 ALA 117 129 ALA 118 130 ALA 119 131 ALA 120 132 THR 121 133 PRO 122 134 VAL 123 135 PRO 124 136 SER 125 137 VAL 126 138 VAL 127 139 LEU 128 140 THR 129 141 ARG 130 142 SER 131 143 PRO 132 144 PRO 133 145 MET 134 146 GLU 135 147 LEU 136 148 GLN 137 149 PRO 138 150 PRO 139 151 VAL 140 152 SER 141 153 PRO 142 154 GLN 143 155 GLN 144 156 SER 145 157 GLU 146 158 CYS 147 159 ASN 148 160 PRO 149 161 VAL 150 162 GLY 151 163 ALA 152 164 LEU 153 165 GLN 154 166 GLU 155 167 LEU 156 168 VAL 157 169 VAL 158 170 GLN 159 171 LYS 160 172 GLY 161 173 TRP 162 174 ARG 163 175 LEU 164 176 PRO 165 177 GLU 166 178 TYR 167 179 THR 168 180 VAL 169 181 THR 170 182 GLN 171 183 GLU 172 184 SER 173 185 GLY 174 186 PRO 175 187 ALA 176 188 HIS 177 189 ARG 178 190 LYS 179 191 GLU 180 192 PHE 181 193 THR 182 194 MET 183 195 THR 184 196 CYS 185 197 ARG 186 198 VAL 187 199 GLU 188 200 ARG 189 201 PHE 190 202 ILE 191 203 GLU 192 204 ILE 193 205 GLY 194 206 SER 195 207 GLY 196 208 THR 197 209 SER 198 210 LYS 199 211 LYS 200 212 LEU 201 213 ALA 202 214 LYS 203 215 ARG 204 216 ASN 205 217 ALA 206 218 ALA 207 219 ALA 208 220 LYS 209 221 MET 210 222 LEU 211 223 LEU 212 224 ARG 213 225 VAL 214 226 HIS 215 227 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_2 _Molecular_mass 6534.828 _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; UUAAUUAUCUAUUCCGUACU U ; loop_ _Residue_seq_code _Residue_label 1 U 2 U 3 A 4 A 5 U 6 U 7 A 8 U 9 C 10 U 11 A 12 U 13 U 14 C 15 C 16 G 17 U 18 A 19 C 20 U 21 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_3 _Molecular_mass 6747.062 _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; GUACGGAAUAGAUAAUUAAU U ; loop_ _Residue_seq_code _Residue_label 1 G 2 U 3 A 4 C 5 G 6 G 7 A 8 A 9 U 10 A 11 G 12 A 13 U 14 A 15 A 16 U 17 U 18 A 19 A 20 U 21 U 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 . . 'TARBP2, TRBP' $entity_2 . 32630 . . . . . $entity_3 . 32630 . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . $entity_2 'chemical synthesis' . . . . . $entity_3 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] dsRBD1, 1 mM EL86, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 13C; U-100% 15N]' EL86 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] dsRBD2, 1 mM EL86, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EL86 1 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N; U-80% 2H] dsRBD12, 1 mM EL86, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EL86 1 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N; U-80% 2H] dsRBD12, 1 mM EL86, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EL86 1 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type 'filamentous virus' _Details '1 mM [U-100% 13C; U-100% 15N; U-80% 2H] dsRBD12, 1 mM EL86, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EL86 1 mM 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 12 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 CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 900 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_hCccoNH_1 _Saveframe_category NMR_applied_experiment _Experiment_name hCccoNH _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_f1-13C-filtered,f2-13C-edited_NOESY_aliphatic-HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D f1-13C-filtered,f2-13C-edited NOESY aliphatic-HMQC' _Sample_label $sample_3 save_ save_TROSY_IPAP_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY IPAP' _Sample_label $sample_4 save_ save_TROSY_IPAP_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY IPAP' _Sample_label $sample_5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 0.2 mM pH 6.5 . pH pressure 1 . atm temperature 313 . 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 water H 1 protons ppm 4.7 internal direct . . . 1.0 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 hCccoNH '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HNCA' '3D f1-13C-filtered,f2-13C-edited NOESY aliphatic-HMQC' 'TROSY IPAP' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 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 13 1 GLY HA2 H 3.98 0.00 . 2 13 1 GLY HA3 H 3.98 0.00 . 3 13 1 GLY CA C 43.37 0.00 . 4 14 2 GLY HA2 H 4.15 0.00 . 5 14 2 GLY HA3 H 4.15 0.00 . 6 14 2 GLY CA C 45.17 0.00 . 7 15 3 SER H H 8.35 0.00 . 8 15 3 SER HA H 4.59 0.00 . 9 15 3 SER HB2 H 3.95 0.00 . 10 15 3 SER HB3 H 3.91 0.00 . 11 15 3 SER CA C 58.10 0.00 . 12 15 3 SER CB C 64.04 0.00 . 13 15 3 SER N N 115.86 0.00 . 14 16 4 LEU H H 8.36 0.00 . 15 16 4 LEU HA H 4.73 0.00 . 16 16 4 LEU HD1 H 1.00 0.00 . 17 16 4 LEU HD2 H 1.02 0.00 . 18 16 4 LEU CA C 53.18 0.00 . 19 16 4 LEU CD1 C 23.84 0.00 . 20 16 4 LEU CD2 C 25.33 0.02 . 21 16 4 LEU N N 124.97 0.00 . 22 17 5 PRO HA H 4.60 0.00 . 23 17 5 PRO HB2 H 2.01 0.01 . 24 17 5 PRO HB3 H 2.37 0.00 . 25 17 5 PRO HG2 H 2.08 0.00 . 26 17 5 PRO HG3 H 2.08 0.00 . 27 17 5 PRO HD2 H 3.68 0.00 . 28 17 5 PRO HD3 H 3.94 0.00 . 29 17 5 PRO CA C 63.05 0.02 . 30 17 5 PRO CB C 32.24 0.04 . 31 17 5 PRO CG C 27.49 0.00 . 32 17 5 PRO CD C 50.58 0.02 . 33 18 6 SER H H 8.36 0.00 . 34 18 6 SER HA H 4.69 0.00 . 35 18 6 SER HB2 H 4.24 0.00 . 36 18 6 SER HB3 H 4.03 0.00 . 37 18 6 SER CA C 57.36 0.02 . 38 18 6 SER CB C 64.21 0.01 . 39 18 6 SER N N 115.51 0.00 . 40 19 7 ILE H H 8.67 0.00 . 41 19 7 ILE HA H 4.05 0.00 . 42 19 7 ILE HB H 1.87 0.00 . 43 19 7 ILE HG12 H 1.19 0.00 . 44 19 7 ILE HG13 H 1.44 0.00 . 45 19 7 ILE HG2 H 0.96 0.00 . 46 19 7 ILE HD1 H 0.73 0.00 . 47 19 7 ILE CA C 63.01 0.02 . 48 19 7 ILE CB C 37.86 0.01 . 49 19 7 ILE CG1 C 28.69 0.02 . 50 19 7 ILE CG2 C 18.00 0.01 . 51 19 7 ILE CD1 C 13.10 0.02 . 52 19 7 ILE N N 124.39 0.00 . 53 20 8 GLU H H 8.67 0.00 . 54 20 8 GLU HA H 4.08 0.00 . 55 20 8 GLU HB2 H 2.09 0.00 . 56 20 8 GLU HB3 H 2.09 0.00 . 57 20 8 GLU HG2 H 2.40 0.01 . 58 20 8 GLU HG3 H 2.37 0.01 . 59 20 8 GLU CA C 59.72 0.01 . 60 20 8 GLU CB C 29.38 0.01 . 61 20 8 GLU CG C 36.76 0.02 . 62 20 8 GLU N N 120.91 0.00 . 63 21 9 GLN H H 7.95 0.00 . 64 21 9 GLN HA H 4.23 0.00 . 65 21 9 GLN HB2 H 2.24 0.00 . 66 21 9 GLN HB3 H 2.24 0.00 . 67 21 9 GLN HG2 H 2.50 0.01 . 68 21 9 GLN HG3 H 2.52 0.01 . 69 21 9 GLN CA C 58.06 0.00 . 70 21 9 GLN CB C 28.76 0.01 . 71 21 9 GLN CG C 34.27 0.03 . 72 21 9 GLN N N 119.28 0.00 . 73 22 10 MET H H 8.18 0.00 . 74 22 10 MET HA H 4.27 0.00 . 75 22 10 MET HB2 H 2.80 0.00 . 76 22 10 MET HB3 H 2.62 0.00 . 77 22 10 MET HG2 H 2.28 0.00 . 78 22 10 MET HG3 H 2.24 0.02 . 79 22 10 MET HE H 2.18 0.00 . 80 22 10 MET CA C 58.42 0.01 . 81 22 10 MET CB C 32.47 0.02 . 82 22 10 MET CG C 33.29 0.02 . 83 22 10 MET CE C 17.17 0.00 . 84 22 10 MET N N 120.08 0.00 . 85 23 11 LEU H H 8.31 0.00 . 86 23 11 LEU HA H 4.22 0.00 . 87 23 11 LEU HB2 H 1.83 0.00 . 88 23 11 LEU HB3 H 1.65 0.00 . 89 23 11 LEU HG H 1.81 0.00 . 90 23 11 LEU HD1 H 0.92 0.00 . 91 23 11 LEU HD2 H 0.94 0.00 . 92 23 11 LEU CA C 56.94 0.06 . 93 23 11 LEU CB C 41.91 0.01 . 94 23 11 LEU CG C 27.11 0.00 . 95 23 11 LEU CD1 C 23.60 0.00 . 96 23 11 LEU CD2 C 25.59 0.01 . 97 23 11 LEU N N 120.03 0.00 . 98 24 12 ALA H H 7.78 0.00 . 99 24 12 ALA HA H 4.25 0.00 . 100 24 12 ALA HB H 1.54 0.00 . 101 24 12 ALA CA C 53.62 0.01 . 102 24 12 ALA CB C 18.70 0.00 . 103 24 12 ALA N N 121.50 0.00 . 104 25 13 ALA H H 7.75 0.00 . 105 25 13 ALA HA H 4.40 0.00 . 106 25 13 ALA HB H 1.54 0.00 . 107 25 13 ALA CA C 52.63 0.04 . 108 25 13 ALA CB C 19.45 0.01 . 109 25 13 ALA N N 119.07 0.00 . 110 26 14 ASN H H 7.72 0.00 . 111 26 14 ASN HA H 5.20 0.00 . 112 26 14 ASN HB2 H 2.83 0.00 . 113 26 14 ASN HB3 H 2.83 0.00 . 114 26 14 ASN CA C 51.55 0.00 . 115 26 14 ASN CB C 40.48 0.02 . 116 26 14 ASN N N 116.30 0.00 . 117 27 15 PRO HA H 4.60 0.00 . 118 27 15 PRO HB2 H 2.40 0.00 . 119 27 15 PRO HB3 H 2.11 0.00 . 120 27 15 PRO HG2 H 2.13 0.00 . 121 27 15 PRO HG3 H 2.13 0.00 . 122 27 15 PRO HD2 H 3.79 0.00 . 123 27 15 PRO HD3 H 3.70 0.00 . 124 27 15 PRO CA C 64.24 0.01 . 125 27 15 PRO CB C 31.88 0.03 . 126 27 15 PRO CG C 27.40 0.02 . 127 27 15 PRO CD C 50.58 0.04 . 128 28 16 GLY H H 8.54 0.00 . 129 28 16 GLY HA2 H 4.03 0.00 . 130 28 16 GLY HA3 H 4.03 0.00 . 131 28 16 GLY CA C 45.50 0.00 . 132 28 16 GLY N N 108.38 0.00 . 133 29 17 LYS H H 7.62 0.00 . 134 29 17 LYS HA H 4.69 0.00 . 135 29 17 LYS HB2 H 1.86 0.00 . 136 29 17 LYS HB3 H 1.86 0.00 . 137 29 17 LYS HG2 H 1.62 0.00 . 138 29 17 LYS HG3 H 1.62 0.00 . 139 29 17 LYS HD2 H 1.61 0.00 . 140 29 17 LYS HD3 H 1.81 0.00 . 141 29 17 LYS HE2 H 3.09 0.00 . 142 29 17 LYS HE3 H 3.26 0.00 . 143 29 17 LYS CA C 56.03 0.00 . 144 29 17 LYS CB C 34.26 0.00 . 145 29 17 LYS CG C 25.97 0.02 . 146 29 17 LYS CD C 29.55 0.04 . 147 29 17 LYS CE C 41.87 0.04 . 148 29 17 LYS N N 120.98 0.00 . 149 30 18 THR H H 8.61 0.00 . 150 30 18 THR HA H 4.65 0.00 . 151 30 18 THR HB H 4.64 0.01 . 152 30 18 THR HG2 H 1.52 0.00 . 153 30 18 THR CA C 60.11 0.03 . 154 30 18 THR CB C 69.04 0.00 . 155 30 18 THR CG2 C 22.03 0.00 . 156 30 18 THR N N 113.87 0.00 . 157 31 19 PRO HA H 4.29 0.00 . 158 31 19 PRO HG2 H 2.45 0.00 . 159 31 19 PRO HG3 H 2.16 0.00 . 160 31 19 PRO HD2 H 3.94 0.00 . 161 31 19 PRO HD3 H 3.94 0.00 . 162 31 19 PRO CA C 66.85 0.00 . 163 31 19 PRO CG C 28.61 0.03 . 164 31 19 PRO CD C 51.14 0.00 . 165 32 20 ILE H H 8.67 0.00 . 166 32 20 ILE HA H 3.67 0.00 . 167 32 20 ILE HB H 1.24 0.00 . 168 32 20 ILE HG12 H 1.49 0.01 . 169 32 20 ILE HG13 H 1.49 0.01 . 170 32 20 ILE HG2 H 1.06 0.00 . 171 32 20 ILE HD1 H -0.00 0.00 . 172 32 20 ILE CA C 66.24 0.02 . 173 32 20 ILE CB C 39.67 0.01 . 174 32 20 ILE CG1 C 29.40 0.02 . 175 32 20 ILE CG2 C 17.93 0.00 . 176 32 20 ILE CD1 C 12.79 0.02 . 177 32 20 ILE N N 115.39 0.00 . 178 33 21 SER H H 7.49 0.00 . 179 33 21 SER HA H 4.27 0.00 . 180 33 21 SER HB2 H 4.15 0.00 . 181 33 21 SER HB3 H 4.05 0.00 . 182 33 21 SER CA C 62.94 0.04 . 183 33 21 SER CB C 62.63 0.09 . 184 33 21 SER N N 116.40 0.00 . 185 34 22 LEU H H 8.73 0.00 . 186 34 22 LEU HA H 4.09 0.00 . 187 34 22 LEU HB2 H 1.57 0.00 . 188 34 22 LEU HB3 H 1.92 0.00 . 189 34 22 LEU HG H 1.73 0.00 . 190 34 22 LEU HD1 H 1.02 0.00 . 191 34 22 LEU HD2 H 0.94 0.00 . 192 34 22 LEU CA C 58.13 0.01 . 193 34 22 LEU CB C 42.87 0.02 . 194 34 22 LEU CG C 27.02 0.00 . 195 34 22 LEU CD1 C 25.16 0.00 . 196 34 22 LEU CD2 C 25.56 0.01 . 197 34 22 LEU N N 122.33 0.00 . 198 35 23 LEU H H 8.67 0.00 . 199 35 23 LEU HA H 4.33 0.00 . 200 35 23 LEU HB2 H 2.23 0.00 . 201 35 23 LEU HB3 H 1.53 0.00 . 202 35 23 LEU HG H 1.81 0.00 . 203 35 23 LEU HD1 H 1.03 0.00 . 204 35 23 LEU HD2 H 1.04 0.00 . 205 35 23 LEU CA C 57.68 0.03 . 206 35 23 LEU CB C 41.32 0.01 . 207 35 23 LEU CG C 26.94 0.00 . 208 35 23 LEU CD1 C 23.57 0.01 . 209 35 23 LEU CD2 C 27.04 0.02 . 210 35 23 LEU N N 119.78 0.00 . 211 36 24 GLN H H 8.45 0.00 . 212 36 24 GLN HA H 3.99 0.00 . 213 36 24 GLN HB2 H 2.59 0.00 . 214 36 24 GLN HB3 H 2.49 0.00 . 215 36 24 GLN HG2 H 2.73 0.00 . 216 36 24 GLN HG3 H 2.61 0.01 . 217 36 24 GLN CA C 59.57 0.01 . 218 36 24 GLN CB C 27.96 0.01 . 219 36 24 GLN CG C 33.48 0.02 . 220 36 24 GLN N N 120.99 0.00 . 221 37 25 GLU H H 8.37 0.00 . 222 37 25 GLU HA H 4.14 0.00 . 223 37 25 GLU HB2 H 2.22 0.00 . 224 37 25 GLU HB3 H 2.22 0.00 . 225 37 25 GLU HG2 H 2.47 0.00 . 226 37 25 GLU HG3 H 2.89 0.00 . 227 37 25 GLU CA C 59.75 0.01 . 228 37 25 GLU CB C 29.35 0.01 . 229 37 25 GLU CG C 36.51 0.05 . 230 37 25 GLU N N 120.42 0.00 . 231 38 26 TYR H H 8.58 0.00 . 232 38 26 TYR HA H 4.17 0.00 . 233 38 26 TYR HB2 H 3.23 0.00 . 234 38 26 TYR HB3 H 3.14 0.00 . 235 38 26 TYR HD1 H 7.03 0.00 . 236 38 26 TYR HD2 H 7.03 0.00 . 237 38 26 TYR HE1 H 6.80 0.00 . 238 38 26 TYR HE2 H 6.80 0.00 . 239 38 26 TYR CA C 62.05 0.02 . 240 38 26 TYR CB C 38.67 0.01 . 241 38 26 TYR CD1 C 132.39 0.00 . 242 38 26 TYR CE1 C 118.41 0.00 . 243 38 26 TYR N N 121.69 0.00 . 244 39 27 GLY H H 9.13 0.00 . 245 39 27 GLY HA2 H 3.90 0.00 . 246 39 27 GLY HA3 H 3.68 0.00 . 247 39 27 GLY CA C 47.20 0.02 . 248 39 27 GLY N N 106.30 0.00 . 249 40 28 THR H H 8.38 0.00 . 250 40 28 THR HA H 4.04 0.00 . 251 40 28 THR HB H 4.38 0.00 . 252 40 28 THR HG2 H 1.41 0.00 . 253 40 28 THR CA C 66.65 0.01 . 254 40 28 THR CB C 68.84 0.00 . 255 40 28 THR CG2 C 21.66 0.01 . 256 40 28 THR N N 117.24 0.00 . 257 41 29 ARG H H 7.62 0.00 . 258 41 29 ARG HA H 4.18 0.00 . 259 41 29 ARG HB2 H 2.05 0.00 . 260 41 29 ARG HB3 H 1.99 0.01 . 261 41 29 ARG HG2 H 1.89 0.00 . 262 41 29 ARG HG3 H 1.77 0.00 . 263 41 29 ARG HD2 H 3.27 0.00 . 264 41 29 ARG HD3 H 3.30 0.00 . 265 41 29 ARG HE H 7.43 0.00 . 266 41 29 ARG CA C 58.93 0.01 . 267 41 29 ARG CB C 29.92 0.02 . 268 41 29 ARG CG C 27.63 0.01 . 269 41 29 ARG CD C 43.29 0.00 . 270 41 29 ARG N N 121.26 0.00 . 271 42 30 ILE H H 7.55 0.00 . 272 42 30 ILE HA H 4.53 0.00 . 273 42 30 ILE HB H 2.16 0.00 . 274 42 30 ILE HG12 H 1.20 0.00 . 275 42 30 ILE HG13 H 1.28 0.00 . 276 42 30 ILE HG2 H 0.69 0.00 . 277 42 30 ILE HD1 H 0.83 0.00 . 278 42 30 ILE CA C 61.26 0.01 . 279 42 30 ILE CB C 38.66 0.00 . 280 42 30 ILE CG1 C 26.49 0.01 . 281 42 30 ILE CG2 C 17.53 0.00 . 282 42 30 ILE CD1 C 14.60 0.00 . 283 42 30 ILE N N 109.97 0.00 . 284 43 31 GLY H H 7.78 0.00 . 285 43 31 GLY HA2 H 4.15 0.00 . 286 43 31 GLY HA3 H 3.94 0.00 . 287 43 31 GLY CA C 46.36 0.03 . 288 43 31 GLY N N 111.36 0.00 . 289 44 32 LYS H H 8.32 0.00 . 290 44 32 LYS HA H 4.74 0.00 . 291 44 32 LYS HB2 H 1.67 0.00 . 292 44 32 LYS HB3 H 1.58 0.00 . 293 44 32 LYS HG2 H 1.36 0.00 . 294 44 32 LYS HG3 H 1.36 0.00 . 295 44 32 LYS HD2 H 1.79 0.00 . 296 44 32 LYS HD3 H 1.58 0.00 . 297 44 32 LYS HE2 H 3.07 0.01 . 298 44 32 LYS HE3 H 3.10 0.01 . 299 44 32 LYS CA C 53.83 0.03 . 300 44 32 LYS CB C 35.15 0.03 . 301 44 32 LYS CG C 24.45 0.02 . 302 44 32 LYS CD C 29.21 0.01 . 303 44 32 LYS CE C 42.40 0.03 . 304 44 32 LYS N N 120.80 0.00 . 305 45 33 THR H H 8.14 0.00 . 306 45 33 THR HA H 4.41 0.00 . 307 45 33 THR HB H 4.10 0.00 . 308 45 33 THR HG2 H 1.39 0.00 . 309 45 33 THR CA C 60.89 0.01 . 310 45 33 THR CB C 69.91 0.01 . 311 45 33 THR CG2 C 21.74 0.01 . 312 45 33 THR N N 118.18 0.00 . 313 46 34 PRO HA H 4.71 0.00 . 314 46 34 PRO HB2 H 1.78 0.00 . 315 46 34 PRO HB3 H 1.84 0.00 . 316 46 34 PRO HG2 H 1.78 0.00 . 317 46 34 PRO HG3 H 2.34 0.00 . 318 46 34 PRO HD2 H 4.17 0.01 . 319 46 34 PRO HD3 H 3.90 0.01 . 320 46 34 PRO CA C 62.73 0.09 . 321 46 34 PRO CB C 32.83 0.01 . 322 46 34 PRO CG C 28.72 0.05 . 323 46 34 PRO CD C 51.44 0.03 . 324 47 35 VAL H H 8.40 0.00 . 325 47 35 VAL HA H 4.47 0.00 . 326 47 35 VAL HB H 1.99 0.00 . 327 47 35 VAL HG1 H 1.03 0.02 . 328 47 35 VAL HG2 H 1.06 0.02 . 329 47 35 VAL CA C 61.47 0.01 . 330 47 35 VAL CB C 34.89 0.01 . 331 47 35 VAL CG1 C 21.42 0.01 . 332 47 35 VAL CG2 C 20.95 0.00 . 333 47 35 VAL N N 122.99 0.00 . 334 48 36 TYR H H 9.26 0.00 . 335 48 36 TYR HA H 5.67 0.00 . 336 48 36 TYR HB2 H 3.06 0.00 . 337 48 36 TYR HB3 H 2.92 0.00 . 338 48 36 TYR HD1 H 6.93 0.00 . 339 48 36 TYR HD2 H 6.93 0.00 . 340 48 36 TYR HE1 H 6.73 0.00 . 341 48 36 TYR HE2 H 6.73 0.00 . 342 48 36 TYR CA C 57.37 0.02 . 343 48 36 TYR CB C 40.78 0.07 . 344 48 36 TYR CD1 C 133.17 0.00 . 345 48 36 TYR CE1 C 117.92 0.00 . 346 48 36 TYR N N 128.23 0.00 . 347 49 37 ASP H H 9.54 0.00 . 348 49 37 ASP HA H 5.14 0.00 . 349 49 37 ASP HB2 H 2.64 0.00 . 350 49 37 ASP HB3 H 2.49 0.00 . 351 49 37 ASP CA C 53.41 0.00 . 352 49 37 ASP CB C 45.03 0.02 . 353 49 37 ASP N N 121.52 0.00 . 354 50 38 LEU H H 8.67 0.00 . 355 50 38 LEU HA H 3.39 0.00 . 356 50 38 LEU HB2 H 1.74 0.00 . 357 50 38 LEU HB3 H 1.05 0.00 . 358 50 38 LEU HG H 1.24 0.00 . 359 50 38 LEU HD1 H 0.74 0.00 . 360 50 38 LEU HD2 H 0.92 0.00 . 361 50 38 LEU CA C 55.28 0.01 . 362 50 38 LEU CB C 40.87 0.01 . 363 50 38 LEU CG C 27.23 0.02 . 364 50 38 LEU CD1 C 24.46 0.00 . 365 50 38 LEU CD2 C 26.24 0.02 . 366 50 38 LEU N N 126.88 0.00 . 367 51 39 LEU H H 8.68 0.00 . 368 51 39 LEU HA H 4.47 0.00 . 369 51 39 LEU HB2 H 1.54 0.00 . 370 51 39 LEU HB3 H 1.54 0.00 . 371 51 39 LEU HG H 1.68 0.01 . 372 51 39 LEU HD1 H 0.81 0.00 . 373 51 39 LEU HD2 H 0.93 0.00 . 374 51 39 LEU CA C 55.76 0.04 . 375 51 39 LEU CB C 43.18 0.05 . 376 51 39 LEU CG C 26.85 0.10 . 377 51 39 LEU CD1 C 22.72 0.02 . 378 51 39 LEU CD2 C 25.82 0.04 . 379 51 39 LEU N N 128.84 0.00 . 380 52 40 LYS H H 7.67 0.00 . 381 52 40 LYS HA H 4.54 0.00 . 382 52 40 LYS HB2 H 1.76 0.00 . 383 52 40 LYS HB3 H 1.93 0.00 . 384 52 40 LYS HG2 H 1.37 0.00 . 385 52 40 LYS HG3 H 1.43 0.00 . 386 52 40 LYS HD2 H 1.70 0.00 . 387 52 40 LYS HD3 H 1.70 0.00 . 388 52 40 LYS HE2 H 2.98 0.00 . 389 52 40 LYS HE3 H 2.98 0.00 . 390 52 40 LYS CA C 56.00 0.03 . 391 52 40 LYS CB C 36.07 0.01 . 392 52 40 LYS CG C 24.76 0.02 . 393 52 40 LYS CD C 29.34 0.05 . 394 52 40 LYS CE C 41.98 0.02 . 395 52 40 LYS N N 116.34 0.00 . 396 53 41 ALA H H 8.48 0.00 . 397 53 41 ALA HA H 4.81 0.00 . 398 53 41 ALA HB H 1.41 0.00 . 399 53 41 ALA CA C 51.49 0.00 . 400 53 41 ALA CB C 21.32 0.01 . 401 53 41 ALA N N 126.76 0.00 . 402 54 42 GLU H H 8.27 0.00 . 403 54 42 GLU HA H 4.74 0.00 . 404 54 42 GLU HB2 H 2.12 0.01 . 405 54 42 GLU HB3 H 2.01 0.00 . 406 54 42 GLU HG2 H 2.23 0.00 . 407 54 42 GLU HG3 H 2.27 0.00 . 408 54 42 GLU CA C 54.83 0.10 . 409 54 42 GLU CB C 33.19 0.01 . 410 54 42 GLU CG C 36.65 0.02 . 411 54 42 GLU N N 121.48 0.00 . 412 55 43 GLY H H 8.45 0.00 . 413 55 43 GLY HA2 H 3.90 0.00 . 414 55 43 GLY HA3 H 4.31 0.00 . 415 55 43 GLY CA C 44.51 0.01 . 416 55 43 GLY N N 108.82 0.00 . 417 56 44 GLN H H 8.14 0.00 . 418 56 44 GLN HA H 4.39 0.00 . 419 56 44 GLN HB2 H 2.30 0.00 . 420 56 44 GLN HB3 H 1.75 0.00 . 421 56 44 GLN HG2 H 2.50 0.00 . 422 56 44 GLN HG3 H 2.50 0.00 . 423 56 44 GLN CA C 55.91 0.01 . 424 56 44 GLN CB C 30.62 0.01 . 425 56 44 GLN CG C 34.64 0.04 . 426 56 44 GLN N N 118.69 0.00 . 427 57 45 ALA H H 8.55 0.00 . 428 57 45 ALA HA H 4.14 0.01 . 429 57 45 ALA HB H 1.65 0.00 . 430 57 45 ALA CA C 54.89 0.03 . 431 57 45 ALA CB C 18.78 0.04 . 432 57 45 ALA N N 123.38 0.00 . 433 58 46 HIS H H 8.10 0.00 . 434 58 46 HIS HB2 H 3.38 0.00 . 435 58 46 HIS HB3 H 3.38 0.00 . 436 58 46 HIS HD2 H 7.18 0.01 . 437 58 46 HIS HE1 H 8.03 0.00 . 438 58 46 HIS CB C 30.10 0.00 . 439 58 46 HIS CD2 C 118.67 0.00 . 440 58 46 HIS CE1 C 138.52 0.00 . 441 58 46 HIS N N 111.81 0.00 . 442 59 47 GLN H H 7.71 0.00 . 443 59 47 GLN HA H 4.80 0.00 . 444 59 47 GLN HB2 H 2.00 0.00 . 445 59 47 GLN HB3 H 1.75 0.00 . 446 59 47 GLN HG2 H 2.14 0.00 . 447 59 47 GLN HG3 H 2.31 0.00 . 448 59 47 GLN CA C 53.82 0.00 . 449 59 47 GLN CB C 29.46 0.04 . 450 59 47 GLN CG C 33.98 0.01 . 451 59 47 GLN N N 121.44 0.00 . 452 60 48 PRO HA H 4.64 0.00 . 453 60 48 PRO HB2 H 1.95 0.00 . 454 60 48 PRO HB3 H 1.95 0.00 . 455 60 48 PRO HG2 H 2.35 0.00 . 456 60 48 PRO HG3 H 2.20 0.00 . 457 60 48 PRO HD2 H 3.73 0.00 . 458 60 48 PRO HD3 H 3.67 0.00 . 459 60 48 PRO CA C 63.25 0.00 . 460 60 48 PRO CB C 32.97 0.01 . 461 60 48 PRO CG C 27.34 0.01 . 462 60 48 PRO CD C 50.52 0.01 . 463 61 49 ASN H H 7.94 0.00 . 464 61 49 ASN HA H 4.94 0.00 . 465 61 49 ASN HB2 H 2.57 0.00 . 466 61 49 ASN HB3 H 2.57 0.00 . 467 61 49 ASN CA C 53.12 0.01 . 468 61 49 ASN CB C 41.68 0.00 . 469 61 49 ASN N N 115.84 0.00 . 470 62 50 PHE H H 9.22 0.00 . 471 62 50 PHE HA H 5.17 0.00 . 472 62 50 PHE HB2 H 2.98 0.00 . 473 62 50 PHE HB3 H 2.98 0.00 . 474 62 50 PHE HD1 H 7.16 0.00 . 475 62 50 PHE HD2 H 7.16 0.00 . 476 62 50 PHE HE1 H 7.59 0.00 . 477 62 50 PHE HE2 H 7.59 0.00 . 478 62 50 PHE HZ H 7.58 0.00 . 479 62 50 PHE CA C 57.99 0.03 . 480 62 50 PHE CB C 41.98 0.14 . 481 62 50 PHE CD1 C 131.78 0.00 . 482 62 50 PHE CE1 C 131.88 0.00 . 483 62 50 PHE CZ C 130.64 0.00 . 484 62 50 PHE N N 124.54 0.00 . 485 63 51 THR H H 8.88 0.00 . 486 63 51 THR HA H 5.47 0.00 . 487 63 51 THR HB H 4.04 0.00 . 488 63 51 THR HG2 H 1.29 0.00 . 489 63 51 THR CA C 62.02 0.00 . 490 63 51 THR CB C 70.40 0.01 . 491 63 51 THR CG2 C 21.24 0.03 . 492 63 51 THR N N 115.71 0.00 . 493 64 52 PHE H H 9.51 0.00 . 494 64 52 PHE HA H 5.30 0.00 . 495 64 52 PHE HB2 H 2.83 0.00 . 496 64 52 PHE HB3 H 2.93 0.00 . 497 64 52 PHE HD1 H 7.25 0.00 . 498 64 52 PHE HD2 H 7.25 0.00 . 499 64 52 PHE HE1 H 7.28 0.00 . 500 64 52 PHE HE2 H 7.28 0.00 . 501 64 52 PHE HZ H 7.33 0.00 . 502 64 52 PHE CA C 56.98 0.00 . 503 64 52 PHE CB C 44.34 0.02 . 504 64 52 PHE CD1 C 131.02 0.00 . 505 64 52 PHE CE1 C 131.85 0.00 . 506 64 52 PHE CZ C 129.89 0.00 . 507 64 52 PHE N N 126.91 0.00 . 508 65 53 ARG H H 9.46 0.00 . 509 65 53 ARG HA H 5.40 0.00 . 510 65 53 ARG HB2 H 2.14 0.00 . 511 65 53 ARG HB3 H 1.70 0.00 . 512 65 53 ARG HG2 H 1.67 0.00 . 513 65 53 ARG HG3 H 1.61 0.00 . 514 65 53 ARG HD2 H 3.20 0.00 . 515 65 53 ARG HD3 H 3.17 0.00 . 516 65 53 ARG HE H 7.35 0.00 . 517 65 53 ARG CA C 54.02 0.00 . 518 65 53 ARG CB C 34.51 0.02 . 519 65 53 ARG CG C 26.68 0.03 . 520 65 53 ARG CD C 43.84 0.01 . 521 65 53 ARG N N 121.02 0.00 . 522 66 54 VAL H H 9.28 0.00 . 523 66 54 VAL HA H 5.21 0.00 . 524 66 54 VAL HB H 1.60 0.01 . 525 66 54 VAL HG1 H 0.05 0.00 . 526 66 54 VAL HG2 H 0.68 0.00 . 527 66 54 VAL CA C 58.36 0.01 . 528 66 54 VAL CB C 35.51 0.01 . 529 66 54 VAL CG1 C 22.37 0.01 . 530 66 54 VAL CG2 C 20.73 0.00 . 531 66 54 VAL N N 125.43 0.00 . 532 67 55 THR H H 8.54 0.00 . 533 67 55 THR HA H 5.16 0.00 . 534 67 55 THR HB H 3.88 0.00 . 535 67 55 THR HG2 H 1.20 0.00 . 536 67 55 THR CA C 61.41 0.00 . 537 67 55 THR CB C 70.95 0.01 . 538 67 55 THR CG2 C 21.41 0.01 . 539 67 55 THR N N 123.74 0.00 . 540 68 56 VAL H H 9.09 0.00 . 541 68 56 VAL HA H 4.24 0.00 . 542 68 56 VAL HB H 2.06 0.00 . 543 68 56 VAL HG1 H 1.03 0.00 . 544 68 56 VAL HG2 H 0.93 0.00 . 545 68 56 VAL CA C 60.18 0.01 . 546 68 56 VAL CB C 33.23 0.01 . 547 68 56 VAL CG1 C 20.56 0.02 . 548 68 56 VAL CG2 C 21.16 0.01 . 549 68 56 VAL N N 126.72 0.00 . 550 69 57 GLY H H 9.16 0.00 . 551 69 57 GLY HA2 H 4.04 0.00 . 552 69 57 GLY HA3 H 3.70 0.01 . 553 69 57 GLY CA C 47.29 0.02 . 554 69 57 GLY N N 117.11 0.00 . 555 70 58 ASP H H 8.63 0.00 . 556 70 58 ASP HA H 4.70 0.00 . 557 70 58 ASP HB2 H 2.88 0.00 . 558 70 58 ASP HB3 H 2.82 0.01 . 559 70 58 ASP CA C 54.44 0.08 . 560 70 58 ASP CB C 41.10 0.02 . 561 70 58 ASP N N 126.52 0.00 . 562 71 59 THR H H 8.02 0.00 . 563 71 59 THR HA H 4.47 0.00 . 564 71 59 THR HB H 4.25 0.01 . 565 71 59 THR HG2 H 1.19 0.00 . 566 71 59 THR CA C 63.19 0.08 . 567 71 59 THR CB C 70.36 0.01 . 568 71 59 THR CG2 C 21.26 0.05 . 569 71 59 THR N N 118.70 0.00 . 570 72 60 SER H H 8.52 0.00 . 571 72 60 SER HA H 5.85 0.00 . 572 72 60 SER HB2 H 3.69 0.00 . 573 72 60 SER HB3 H 3.75 0.00 . 574 72 60 SER CA C 56.79 0.01 . 575 72 60 SER CB C 65.56 0.00 . 576 72 60 SER N N 121.49 0.00 . 577 73 61 CYS H H 8.92 0.00 . 578 73 61 CYS HA H 5.06 0.00 . 579 73 61 CYS HB2 H 3.19 0.00 . 580 73 61 CYS HB3 H 2.63 0.01 . 581 73 61 CYS CA C 56.93 0.01 . 582 73 61 CYS CB C 32.97 0.02 . 583 73 61 CYS N N 121.12 0.00 . 584 74 62 THR H H 8.44 0.00 . 585 74 62 THR HA H 5.93 0.00 . 586 74 62 THR HB H 4.21 0.00 . 587 74 62 THR HG2 H 1.19 0.00 . 588 74 62 THR CA C 59.62 0.01 . 589 74 62 THR CB C 72.41 0.01 . 590 74 62 THR CG2 C 21.70 0.05 . 591 74 62 THR N N 110.57 0.00 . 592 75 63 GLY H H 8.94 0.00 . 593 75 63 GLY HA2 H 4.64 0.00 . 594 75 63 GLY HA3 H 3.81 0.00 . 595 75 63 GLY CA C 44.63 0.01 . 596 75 63 GLY N N 105.62 0.00 . 597 76 64 GLN H H 8.07 0.00 . 598 76 64 GLN HA H 6.43 0.00 . 599 76 64 GLN HB2 H 2.12 0.00 . 600 76 64 GLN HB3 H 2.34 0.00 . 601 76 64 GLN HG2 H 2.70 0.00 . 602 76 64 GLN HG3 H 2.44 0.00 . 603 76 64 GLN CA C 53.67 0.00 . 604 76 64 GLN CB C 33.47 0.02 . 605 76 64 GLN CG C 34.26 0.02 . 606 76 64 GLN N N 118.85 0.00 . 607 77 65 GLY H H 8.77 0.00 . 608 77 65 GLY HA2 H 4.61 0.00 . 609 77 65 GLY HA3 H 4.09 0.00 . 610 77 65 GLY CA C 46.05 0.02 . 611 77 65 GLY N N 107.03 0.00 . 612 78 66 PRO HA H 5.16 0.00 . 613 78 66 PRO HB2 H 2.43 0.00 . 614 78 66 PRO HB3 H 2.57 0.00 . 615 78 66 PRO HG2 H 2.27 0.00 . 616 78 66 PRO HG3 H 2.15 0.00 . 617 78 66 PRO HD2 H 3.73 0.00 . 618 78 66 PRO HD3 H 3.80 0.00 . 619 78 66 PRO CA C 64.21 0.01 . 620 78 66 PRO CB C 32.46 0.05 . 621 78 66 PRO CG C 26.69 0.02 . 622 78 66 PRO CD C 50.35 0.00 . 623 79 67 SER H H 7.58 0.00 . 624 79 67 SER HA H 5.02 0.00 . 625 79 67 SER HB2 H 4.51 0.00 . 626 79 67 SER HB3 H 4.10 0.00 . 627 79 67 SER CA C 55.63 0.00 . 628 79 67 SER CB C 66.94 0.02 . 629 79 67 SER N N 110.13 0.00 . 630 80 68 LYS H H 9.65 0.00 . 631 80 68 LYS HA H 3.55 0.00 . 632 80 68 LYS HB2 H 1.76 0.01 . 633 80 68 LYS HB3 H 1.59 0.00 . 634 80 68 LYS HG2 H 0.48 0.00 . 635 80 68 LYS HG3 H 0.81 0.00 . 636 80 68 LYS HD2 H 1.79 0.01 . 637 80 68 LYS HD3 H 1.69 0.01 . 638 80 68 LYS HE2 H 2.80 0.01 . 639 80 68 LYS HE3 H 2.68 0.00 . 640 80 68 LYS CA C 61.44 0.01 . 641 80 68 LYS CB C 31.95 0.03 . 642 80 68 LYS CG C 26.80 0.01 . 643 80 68 LYS CD C 30.14 0.02 . 644 80 68 LYS CE C 42.28 0.04 . 645 80 68 LYS N N 124.00 0.00 . 646 81 69 LYS H H 8.67 0.00 . 647 81 69 LYS HA H 3.63 0.00 . 648 81 69 LYS HB2 H 1.76 0.00 . 649 81 69 LYS HB3 H 1.83 0.00 . 650 81 69 LYS HG2 H 1.46 0.00 . 651 81 69 LYS HG3 H 1.54 0.00 . 652 81 69 LYS HD2 H 1.71 0.00 . 653 81 69 LYS HD3 H 1.71 0.00 . 654 81 69 LYS HE2 H 3.06 0.00 . 655 81 69 LYS HE3 H 2.98 0.01 . 656 81 69 LYS CA C 59.24 0.00 . 657 81 69 LYS CB C 31.40 0.01 . 658 81 69 LYS CG C 24.63 0.11 . 659 81 69 LYS CD C 28.27 0.01 . 660 81 69 LYS CE C 41.07 0.01 . 661 81 69 LYS N N 117.47 0.00 . 662 82 70 ALA H H 8.11 0.00 . 663 82 70 ALA HA H 4.32 0.00 . 664 82 70 ALA HB H 1.65 0.00 . 665 82 70 ALA CA C 55.27 0.00 . 666 82 70 ALA CB C 18.72 0.01 . 667 82 70 ALA N N 119.79 0.00 . 668 83 71 ALA H H 8.18 0.00 . 669 83 71 ALA HA H 3.95 0.00 . 670 83 71 ALA HB H 1.87 0.00 . 671 83 71 ALA CA C 55.32 0.01 . 672 83 71 ALA CB C 20.20 0.00 . 673 83 71 ALA N N 120.92 0.00 . 674 84 72 LYS H H 8.09 0.00 . 675 84 72 LYS HA H 3.43 0.00 . 676 84 72 LYS HB2 H 1.15 0.01 . 677 84 72 LYS HB3 H 1.11 0.01 . 678 84 72 LYS HG2 H 0.13 0.00 . 679 84 72 LYS HG3 H 0.24 0.00 . 680 84 72 LYS HD2 H 0.74 0.00 . 681 84 72 LYS HD3 H 0.74 0.00 . 682 84 72 LYS HE2 H 1.60 0.00 . 683 84 72 LYS HE3 H 1.66 0.01 . 684 84 72 LYS CA C 60.99 0.01 . 685 84 72 LYS CB C 32.66 0.01 . 686 84 72 LYS CG C 26.20 0.07 . 687 84 72 LYS CD C 29.24 0.02 . 688 84 72 LYS CE C 40.50 0.01 . 689 84 72 LYS N N 119.56 0.00 . 690 85 73 HIS H H 8.55 0.00 . 691 85 73 HIS HA H 4.50 0.00 . 692 85 73 HIS HB2 H 3.16 0.00 . 693 85 73 HIS HB3 H 3.28 0.00 . 694 85 73 HIS HD2 H 6.99 0.00 . 695 85 73 HIS HE1 H 7.96 0.00 . 696 85 73 HIS CA C 60.49 0.02 . 697 85 73 HIS CB C 31.65 0.01 . 698 85 73 HIS CD2 C 119.74 0.00 . 699 85 73 HIS CE1 C 137.46 0.00 . 700 85 73 HIS N N 116.84 0.00 . 701 86 74 LYS H H 8.16 0.00 . 702 86 74 LYS HA H 4.41 0.00 . 703 86 74 LYS HB2 H 2.22 0.00 . 704 86 74 LYS HB3 H 2.22 0.00 . 705 86 74 LYS HG2 H 2.13 0.00 . 706 86 74 LYS HG3 H 1.80 0.00 . 707 86 74 LYS HD2 H 2.08 0.00 . 708 86 74 LYS HD3 H 2.02 0.00 . 709 86 74 LYS HE2 H 3.21 0.01 . 710 86 74 LYS HE3 H 3.20 0.01 . 711 86 74 LYS CA C 57.80 0.01 . 712 86 74 LYS CB C 30.81 0.00 . 713 86 74 LYS CG C 24.40 0.00 . 714 86 74 LYS CD C 27.64 0.04 . 715 86 74 LYS CE C 41.98 0.00 . 716 86 74 LYS N N 119.39 0.00 . 717 87 75 ALA H H 8.50 0.00 . 718 87 75 ALA HA H 3.91 0.00 . 719 87 75 ALA HB H 1.56 0.00 . 720 87 75 ALA CA C 55.55 0.03 . 721 87 75 ALA CB C 17.15 0.01 . 722 87 75 ALA N N 122.23 0.00 . 723 88 76 ALA H H 8.36 0.00 . 724 88 76 ALA HA H 4.12 0.00 . 725 88 76 ALA HB H 1.72 0.00 . 726 88 76 ALA CA C 55.33 0.00 . 727 88 76 ALA CB C 17.93 0.01 . 728 88 76 ALA N N 118.59 0.00 . 729 89 77 GLU H H 8.81 0.00 . 730 89 77 GLU HA H 4.02 0.00 . 731 89 77 GLU HB2 H 2.56 0.00 . 732 89 77 GLU HB3 H 2.45 0.00 . 733 89 77 GLU HG2 H 2.57 0.00 . 734 89 77 GLU HG3 H 2.27 0.00 . 735 89 77 GLU CA C 60.10 0.03 . 736 89 77 GLU CB C 30.41 0.01 . 737 89 77 GLU CG C 36.87 0.01 . 738 89 77 GLU N N 119.51 0.00 . 739 90 78 VAL H H 8.37 0.00 . 740 90 78 VAL HA H 3.75 0.00 . 741 90 78 VAL HB H 2.38 0.00 . 742 90 78 VAL HG1 H 1.39 0.00 . 743 90 78 VAL HG2 H 1.30 0.00 . 744 90 78 VAL CA C 66.84 0.01 . 745 90 78 VAL CB C 31.94 0.08 . 746 90 78 VAL CG1 C 22.98 0.02 . 747 90 78 VAL CG2 C 22.28 0.01 . 748 90 78 VAL N N 120.67 0.00 . 749 91 79 ALA H H 8.46 0.00 . 750 91 79 ALA HA H 4.33 0.00 . 751 91 79 ALA HB H 1.42 0.00 . 752 91 79 ALA CA C 55.92 0.01 . 753 91 79 ALA CB C 18.25 0.02 . 754 91 79 ALA N N 124.30 0.00 . 755 92 80 LEU H H 8.74 0.00 . 756 92 80 LEU HA H 3.89 0.00 . 757 92 80 LEU HB2 H 2.13 0.00 . 758 92 80 LEU HB3 H 1.49 0.00 . 759 92 80 LEU HG H 1.96 0.00 . 760 92 80 LEU HD1 H 1.04 0.01 . 761 92 80 LEU HD2 H 0.80 0.00 . 762 92 80 LEU CA C 58.44 0.01 . 763 92 80 LEU CB C 42.30 0.03 . 764 92 80 LEU CG C 27.30 0.08 . 765 92 80 LEU CD1 C 26.15 0.01 . 766 92 80 LEU CD2 C 24.07 0.01 . 767 92 80 LEU N N 118.37 0.00 . 768 93 81 LYS H H 7.82 0.00 . 769 93 81 LYS HA H 4.04 0.00 . 770 93 81 LYS HB2 H 2.06 0.00 . 771 93 81 LYS HB3 H 2.11 0.00 . 772 93 81 LYS HG2 H 1.50 0.00 . 773 93 81 LYS HG3 H 1.76 0.00 . 774 93 81 LYS HD2 H 1.81 0.00 . 775 93 81 LYS HD3 H 1.81 0.00 . 776 93 81 LYS HE2 H 3.08 0.00 . 777 93 81 LYS HE3 H 3.08 0.00 . 778 93 81 LYS CA C 59.62 0.01 . 779 93 81 LYS CB C 32.32 0.01 . 780 93 81 LYS CG C 25.81 0.01 . 781 93 81 LYS CD C 29.46 0.07 . 782 93 81 LYS CE C 42.15 0.07 . 783 93 81 LYS N N 117.72 0.00 . 784 94 82 HIS H H 8.23 0.00 . 785 94 82 HIS HA H 4.43 0.00 . 786 94 82 HIS HB2 H 3.40 0.00 . 787 94 82 HIS HB3 H 3.28 0.00 . 788 94 82 HIS HD2 H 7.21 0.00 . 789 94 82 HIS HE1 H 8.23 0.00 . 790 94 82 HIS CA C 59.15 0.01 . 791 94 82 HIS CB C 29.83 0.02 . 792 94 82 HIS CD2 C 120.88 0.00 . 793 94 82 HIS CE1 C 137.93 0.00 . 794 94 82 HIS N N 118.63 0.00 . 795 95 83 LEU H H 8.50 0.00 . 796 95 83 LEU HA H 4.23 0.00 . 797 95 83 LEU HB2 H 1.79 0.00 . 798 95 83 LEU HB3 H 1.43 0.01 . 799 95 83 LEU HG H 1.94 0.00 . 800 95 83 LEU HD1 H 1.02 0.00 . 801 95 83 LEU HD2 H 0.70 0.00 . 802 95 83 LEU CA C 56.85 0.07 . 803 95 83 LEU CB C 42.52 0.01 . 804 95 83 LEU CG C 27.16 0.04 . 805 95 83 LEU CD1 C 22.99 0.03 . 806 95 83 LEU CD2 C 25.87 0.01 . 807 95 83 LEU N N 120.34 0.00 . 808 96 84 LYS H H 7.95 0.00 . 809 96 84 LYS HA H 4.25 0.00 . 810 96 84 LYS HB2 H 1.98 0.00 . 811 96 84 LYS HB3 H 1.91 0.00 . 812 96 84 LYS HG2 H 1.55 0.00 . 813 96 84 LYS HG3 H 1.50 0.00 . 814 96 84 LYS HD2 H 1.70 0.00 . 815 96 84 LYS HD3 H 1.70 0.00 . 816 96 84 LYS HE2 H 3.00 0.00 . 817 96 84 LYS HE3 H 3.00 0.00 . 818 96 84 LYS CA C 57.63 0.04 . 819 96 84 LYS CB C 32.70 0.01 . 820 96 84 LYS CG C 24.99 0.02 . 821 96 84 LYS CD C 29.31 0.01 . 822 96 84 LYS CE C 41.86 0.06 . 823 96 84 LYS N N 118.70 0.00 . 824 97 85 GLY H H 7.94 0.00 . 825 97 85 GLY HA2 H 3.88 0.00 . 826 97 85 GLY HA3 H 3.80 0.00 . 827 97 85 GLY CA C 46.32 0.01 . 828 97 85 GLY N N 107.36 0.00 . 829 158 146 CYS H H 8.16 0.02 . 830 158 146 CYS HA H 4.54 0.02 . 831 158 146 CYS HB2 H 3.06 0.02 . 832 158 146 CYS HB3 H 3.06 0.02 . 833 158 146 CYS CA C 58.61 0.30 . 834 158 146 CYS CB C 28.15 0.30 . 835 158 146 CYS N N 118.59 0.30 . 836 159 147 ASN H H 8.66 0.02 . 837 159 147 ASN HA H 5.30 0.02 . 838 159 147 ASN HB2 H 3.14 0.02 . 839 159 147 ASN HB3 H 2.87 0.02 . 840 159 147 ASN HD21 H 7.77 0.02 . 841 159 147 ASN HD22 H 6.93 0.02 . 842 159 147 ASN CA C 49.68 0.30 . 843 159 147 ASN CB C 38.20 0.30 . 844 159 147 ASN N N 117.95 0.30 . 845 159 147 ASN ND2 N 112.02 0.30 . 846 160 148 PRO HA H 4.38 0.02 . 847 160 148 PRO HB2 H 1.91 0.02 . 848 160 148 PRO HB3 H 2.40 0.02 . 849 160 148 PRO HG2 H 2.25 0.02 . 850 160 148 PRO HG3 H 2.16 0.02 . 851 160 148 PRO HD2 H 4.12 0.02 . 852 160 148 PRO HD3 H 3.57 0.02 . 853 160 148 PRO CA C 64.27 0.30 . 854 160 148 PRO CB C 31.78 0.30 . 855 160 148 PRO CG C 28.46 0.30 . 856 160 148 PRO CD C 49.28 0.30 . 857 161 149 VAL H H 8.12 0.02 . 858 161 149 VAL HA H 3.58 0.02 . 859 161 149 VAL HB H 2.07 0.02 . 860 161 149 VAL HG1 H 1.14 0.02 . 861 161 149 VAL HG2 H 0.97 0.02 . 862 161 149 VAL CA C 65.77 0.30 . 863 161 149 VAL CB C 32.56 0.30 . 864 161 149 VAL CG1 C 21.32 0.30 . 865 161 149 VAL CG2 C 23.11 0.30 . 866 161 149 VAL N N 118.44 0.30 . 867 162 150 GLY H H 7.93 0.02 . 868 162 150 GLY HA2 H 3.88 0.02 . 869 162 150 GLY HA3 H 3.99 0.02 . 870 162 150 GLY CA C 47.18 0.30 . 871 162 150 GLY N N 108.92 0.30 . 872 163 151 ALA H H 8.54 0.02 . 873 163 151 ALA HA H 4.09 0.02 . 874 163 151 ALA HB H 1.49 0.02 . 875 163 151 ALA CA C 54.21 0.30 . 876 163 151 ALA CB C 18.74 0.30 . 877 163 151 ALA N N 123.30 0.30 . 878 164 152 LEU H H 8.61 0.02 . 879 164 152 LEU HA H 4.19 0.02 . 880 164 152 LEU HB2 H 1.63 0.02 . 881 164 152 LEU HB3 H 2.19 0.02 . 882 164 152 LEU HG H 1.62 0.02 . 883 164 152 LEU HD1 H 0.94 0.02 . 884 164 152 LEU HD2 H 1.09 0.02 . 885 164 152 LEU CA C 57.07 0.30 . 886 164 152 LEU CB C 41.19 0.30 . 887 164 152 LEU CG C 27.48 0.30 . 888 164 152 LEU CD1 C 23.42 0.30 . 889 164 152 LEU CD2 C 26.82 0.30 . 890 164 152 LEU N N 118.52 0.30 . 891 165 153 GLN H H 7.92 0.02 . 892 165 153 GLN HA H 3.90 0.02 . 893 165 153 GLN HB2 H 2.47 0.02 . 894 165 153 GLN HB3 H 2.45 0.02 . 895 165 153 GLN HG2 H 2.59 0.02 . 896 165 153 GLN HG3 H 2.35 0.02 . 897 165 153 GLN CA C 59.69 0.30 . 898 165 153 GLN CB C 28.41 0.30 . 899 165 153 GLN CG C 34.99 0.30 . 900 165 153 GLN N N 118.14 0.30 . 901 166 154 GLU H H 8.38 0.02 . 902 166 154 GLU HA H 3.92 0.02 . 903 166 154 GLU HB2 H 2.16 0.02 . 904 166 154 GLU HB3 H 2.08 0.02 . 905 166 154 GLU HG2 H 2.87 0.02 . 906 166 154 GLU HG3 H 2.45 0.02 . 907 166 154 GLU CA C 59.03 0.30 . 908 166 154 GLU CB C 29.35 0.30 . 909 166 154 GLU CG C 36.66 0.30 . 910 166 154 GLU N N 117.03 0.30 . 911 167 155 LEU H H 7.94 0.02 . 912 167 155 LEU HA H 4.14 0.02 . 913 167 155 LEU HB2 H 1.86 0.02 . 914 167 155 LEU HB3 H 1.81 0.02 . 915 167 155 LEU HG H 1.53 0.02 . 916 167 155 LEU HD1 H 0.88 0.02 . 917 167 155 LEU HD2 H 0.81 0.02 . 918 167 155 LEU CA C 57.16 0.30 . 919 167 155 LEU CB C 42.62 0.30 . 920 167 155 LEU CG C 27.24 0.30 . 921 167 155 LEU CD1 C 24.82 0.30 . 922 167 155 LEU CD2 C 25.88 0.30 . 923 167 155 LEU N N 120.96 0.30 . 924 168 156 VAL H H 8.54 0.02 . 925 168 156 VAL HA H 3.58 0.02 . 926 168 156 VAL HB H 2.56 0.02 . 927 168 156 VAL HG1 H 1.38 0.02 . 928 168 156 VAL HG2 H 1.31 0.02 . 929 168 156 VAL CA C 65.78 0.30 . 930 168 156 VAL CB C 31.38 0.30 . 931 168 156 VAL CG1 C 23.63 0.30 . 932 168 156 VAL CG2 C 23.38 0.30 . 933 168 156 VAL N N 116.67 0.30 . 934 169 157 VAL H H 8.15 0.02 . 935 169 157 VAL HA H 4.01 0.02 . 936 169 157 VAL HB H 2.27 0.02 . 937 169 157 VAL HG1 H 1.27 0.02 . 938 169 157 VAL HG2 H 1.09 0.02 . 939 169 157 VAL CA C 65.19 0.30 . 940 169 157 VAL CB C 31.84 0.30 . 941 169 157 VAL CG1 C 23.40 0.30 . 942 169 157 VAL CG2 C 21.25 0.30 . 943 169 157 VAL N N 119.79 0.30 . 944 170 158 GLN H H 7.75 0.02 . 945 170 158 GLN HA H 4.08 0.02 . 946 170 158 GLN HB2 H 2.31 0.02 . 947 170 158 GLN HB3 H 2.23 0.02 . 948 170 158 GLN HG2 H 2.63 0.02 . 949 170 158 GLN HG3 H 2.48 0.02 . 950 170 158 GLN HE21 H 7.48 0.02 . 951 170 158 GLN HE22 H 6.76 0.02 . 952 170 158 GLN CA C 57.87 0.30 . 953 170 158 GLN CB C 28.30 0.30 . 954 170 158 GLN CG C 34.10 0.30 . 955 170 158 GLN N N 121.33 0.30 . 956 170 158 GLN NE2 N 111.44 0.30 . 957 171 159 LYS H H 7.51 0.02 . 958 171 159 LYS HA H 3.90 0.02 . 959 171 159 LYS HB2 H 0.85 0.02 . 960 171 159 LYS HB3 H 0.45 0.02 . 961 171 159 LYS HG2 H 1.03 0.02 . 962 171 159 LYS HG3 H 0.69 0.02 . 963 171 159 LYS HD2 H 0.87 0.02 . 964 171 159 LYS HD3 H 0.81 0.02 . 965 171 159 LYS HE2 H 2.62 0.02 . 966 171 159 LYS HE3 H 2.55 0.02 . 967 171 159 LYS CA C 55.30 0.30 . 968 171 159 LYS CB C 31.75 0.30 . 969 171 159 LYS CG C 24.30 0.30 . 970 171 159 LYS CD C 28.08 0.30 . 971 171 159 LYS CE C 42.01 0.30 . 972 171 159 LYS N N 116.46 0.30 . 973 172 160 GLY H H 7.79 0.02 . 974 172 160 GLY HA2 H 4.16 0.02 . 975 172 160 GLY HA3 H 3.96 0.02 . 976 172 160 GLY CA C 45.63 0.30 . 977 172 160 GLY N N 106.83 0.30 . 978 173 161 TRP H H 7.65 0.02 . 979 173 161 TRP HA H 5.17 0.02 . 980 173 161 TRP HB2 H 3.35 0.02 . 981 173 161 TRP HB3 H 3.44 0.02 . 982 173 161 TRP HD1 H 6.96 0.02 . 983 173 161 TRP HE1 H 10.01 0.02 . 984 173 161 TRP HE3 H 7.40 0.02 . 985 173 161 TRP HZ2 H 7.66 0.02 . 986 173 161 TRP HZ3 H 6.94 0.02 . 987 173 161 TRP HH2 H 7.42 0.02 . 988 173 161 TRP CA C 52.55 0.30 . 989 173 161 TRP CB C 31.83 0.30 . 990 173 161 TRP CD1 C 124.45 0.30 . 991 173 161 TRP CE3 C 120.36 0.30 . 992 173 161 TRP CZ2 C 114.81 0.30 . 993 173 161 TRP CZ3 C 120.37 0.30 . 994 173 161 TRP CH2 C 124.10 0.30 . 995 173 161 TRP N N 121.78 0.30 . 996 173 161 TRP NE1 N 127.50 0.30 . 997 174 162 ARG H H 8.41 0.02 . 998 174 162 ARG HA H 4.31 0.02 . 999 174 162 ARG HB2 H 2.00 0.02 . 1000 174 162 ARG HB3 H 1.91 0.02 . 1001 174 162 ARG HG2 H 1.91 0.02 . 1002 174 162 ARG HG3 H 1.91 0.02 . 1003 174 162 ARG HD2 H 3.32 0.02 . 1004 174 162 ARG HD3 H 3.32 0.02 . 1005 174 162 ARG CA C 55.62 0.30 . 1006 174 162 ARG CB C 30.66 0.30 . 1007 174 162 ARG CG C 27.89 0.30 . 1008 174 162 ARG CD C 43.64 0.30 . 1009 174 162 ARG N N 119.22 0.30 . 1010 175 163 LEU H H 7.93 0.02 . 1011 175 163 LEU HA H 4.40 0.02 . 1012 175 163 LEU HB2 H 1.79 0.02 . 1013 175 163 LEU HB3 H 1.73 0.02 . 1014 175 163 LEU HG H 1.99 0.02 . 1015 175 163 LEU HD1 H 1.15 0.02 . 1016 175 163 LEU HD2 H 1.08 0.02 . 1017 175 163 LEU CA C 53.50 0.30 . 1018 175 163 LEU CB C 40.33 0.30 . 1019 175 163 LEU CG C 28.01 0.30 . 1020 175 163 LEU CD1 C 25.49 0.30 . 1021 175 163 LEU CD2 C 23.86 0.30 . 1022 175 163 LEU N N 118.68 0.30 . 1023 176 164 PRO HA H 4.59 0.02 . 1024 176 164 PRO HB2 H 1.73 0.02 . 1025 176 164 PRO HB3 H 1.73 0.02 . 1026 176 164 PRO HG2 H 2.56 0.02 . 1027 176 164 PRO HG3 H 1.77 0.02 . 1028 176 164 PRO HD2 H 3.85 0.02 . 1029 176 164 PRO HD3 H 3.95 0.02 . 1030 176 164 PRO CA C 61.67 0.30 . 1031 176 164 PRO CB C 33.02 0.30 . 1032 176 164 PRO CG C 28.31 0.30 . 1033 176 164 PRO CD C 49.39 0.30 . 1034 177 165 GLU H H 8.44 0.02 . 1035 177 165 GLU HA H 4.80 0.02 . 1036 177 165 GLU HB2 H 2.04 0.02 . 1037 177 165 GLU HB3 H 1.95 0.02 . 1038 177 165 GLU HG2 H 2.37 0.02 . 1039 177 165 GLU HG3 H 2.13 0.02 . 1040 177 165 GLU CA C 53.80 0.30 . 1041 177 165 GLU CB C 32.97 0.30 . 1042 177 165 GLU CG C 36.44 0.30 . 1043 177 165 GLU N N 122.50 0.30 . 1044 178 166 TYR H H 9.15 0.02 . 1045 178 166 TYR HA H 5.76 0.02 . 1046 178 166 TYR HB2 H 2.87 0.02 . 1047 178 166 TYR HB3 H 3.12 0.02 . 1048 178 166 TYR HD1 H 7.06 0.02 . 1049 178 166 TYR HD2 H 7.06 0.02 . 1050 178 166 TYR HE1 H 6.71 0.02 . 1051 178 166 TYR HE2 H 6.71 0.02 . 1052 178 166 TYR HH H 10.05 0.02 . 1053 178 166 TYR CA C 56.14 0.30 . 1054 178 166 TYR CB C 40.61 0.30 . 1055 178 166 TYR CD1 C 133.63 0.30 . 1056 178 166 TYR CE1 C 118.10 0.30 . 1057 178 166 TYR N N 126.82 0.30 . 1058 179 167 THR H H 8.61 0.02 . 1059 179 167 THR HA H 4.72 0.02 . 1060 179 167 THR HB H 3.96 0.02 . 1061 179 167 THR HG2 H 1.23 0.02 . 1062 179 167 THR CA C 60.48 0.30 . 1063 179 167 THR CB C 71.03 0.30 . 1064 179 167 THR CG2 C 21.72 0.30 . 1065 179 167 THR N N 117.28 0.30 . 1066 180 168 VAL H H 9.14 0.02 . 1067 180 168 VAL HA H 4.74 0.02 . 1068 180 168 VAL HB H 2.34 0.02 . 1069 180 168 VAL HG1 H 1.26 0.02 . 1070 180 168 VAL HG2 H 1.16 0.02 . 1071 180 168 VAL CA C 62.31 0.30 . 1072 180 168 VAL CB C 31.56 0.30 . 1073 180 168 VAL CG1 C 22.03 0.30 . 1074 180 168 VAL CG2 C 22.70 0.30 . 1075 180 168 VAL N N 127.92 0.30 . 1076 181 169 THR H H 8.90 0.02 . 1077 181 169 THR HA H 4.54 0.02 . 1078 181 169 THR HB H 4.29 0.02 . 1079 181 169 THR HG2 H 1.25 0.02 . 1080 181 169 THR CA C 61.54 0.30 . 1081 181 169 THR CB C 68.30 0.30 . 1082 181 169 THR CG2 C 23.23 0.30 . 1083 181 169 THR N N 121.31 0.30 . 1084 182 170 GLN H H 7.87 0.02 . 1085 182 170 GLN HA H 4.64 0.02 . 1086 182 170 GLN HB2 H 2.02 0.02 . 1087 182 170 GLN HB3 H 2.13 0.02 . 1088 182 170 GLN HG2 H 2.37 0.02 . 1089 182 170 GLN HG3 H 2.37 0.02 . 1090 182 170 GLN HE21 H 7.37 0.02 . 1091 182 170 GLN HE22 H 6.81 0.02 . 1092 182 170 GLN CA C 55.70 0.30 . 1093 182 170 GLN CB C 32.57 0.30 . 1094 182 170 GLN CG C 34.41 0.30 . 1095 182 170 GLN N N 120.37 0.30 . 1096 182 170 GLN NE2 N 111.13 0.30 . 1097 183 171 GLU H H 8.35 0.02 . 1098 183 171 GLU HA H 4.92 0.02 . 1099 183 171 GLU HB2 H 1.88 0.02 . 1100 183 171 GLU HB3 H 1.88 0.02 . 1101 183 171 GLU HG2 H 2.11 0.02 . 1102 183 171 GLU HG3 H 2.11 0.02 . 1103 183 171 GLU CA C 53.98 0.30 . 1104 183 171 GLU CB C 32.62 0.30 . 1105 183 171 GLU CG C 36.19 0.30 . 1106 183 171 GLU N N 123.62 0.30 . 1107 184 172 SER H H 8.72 0.02 . 1108 184 172 SER HA H 4.84 0.02 . 1109 184 172 SER HB2 H 3.80 0.02 . 1110 184 172 SER HB3 H 3.78 0.02 . 1111 184 172 SER CA C 56.45 0.30 . 1112 184 172 SER CB C 64.97 0.30 . 1113 184 172 SER N N 118.80 0.30 . 1114 185 173 GLY H H 8.18 0.02 . 1115 185 173 GLY HA2 H 3.87 0.02 . 1116 185 173 GLY HA3 H 4.62 0.02 . 1117 185 173 GLY CA C 44.11 0.30 . 1118 185 173 GLY N N 108.03 0.30 . 1119 186 174 PRO HA H 4.64 0.02 . 1120 186 174 PRO HB2 H 2.32 0.02 . 1121 186 174 PRO HB3 H 2.32 0.02 . 1122 186 174 PRO HG2 H 1.94 0.02 . 1123 186 174 PRO HG3 H 1.27 0.02 . 1124 186 174 PRO HD2 H 3.64 0.02 . 1125 186 174 PRO HD3 H 3.52 0.02 . 1126 186 174 PRO CA C 61.35 0.30 . 1127 186 174 PRO CB C 32.42 0.30 . 1128 186 174 PRO CG C 26.58 0.30 . 1129 186 174 PRO CD C 47.68 0.30 . 1130 187 175 ALA H H 8.71 0.02 . 1131 187 175 ALA HA H 4.01 0.02 . 1132 187 175 ALA HB H 1.78 0.02 . 1133 187 175 ALA CA C 54.87 0.30 . 1134 187 175 ALA CB C 18.70 0.30 . 1135 187 175 ALA N N 120.74 0.30 . 1136 188 176 HIS H H 7.73 0.02 . 1137 188 176 HIS HA H 5.37 0.02 . 1138 188 176 HIS HD2 H 7.05 0.02 . 1139 188 176 HIS HE1 H 7.97 0.02 . 1140 188 176 HIS CA C 55.96 0.30 . 1141 188 176 HIS CD2 C 117.86 0.30 . 1142 188 176 HIS CE1 C 139.34 0.30 . 1143 188 176 HIS N N 110.54 0.30 . 1144 189 177 ARG H H 7.75 0.02 . 1145 189 177 ARG HA H 4.57 0.02 . 1146 189 177 ARG HB2 H 1.72 0.02 . 1147 189 177 ARG HB3 H 1.32 0.02 . 1148 189 177 ARG HG2 H 1.59 0.02 . 1149 189 177 ARG HG3 H 1.59 0.02 . 1150 189 177 ARG HD2 H 3.30 0.02 . 1151 189 177 ARG HD3 H 3.30 0.02 . 1152 189 177 ARG CA C 54.36 0.30 . 1153 189 177 ARG CB C 30.39 0.30 . 1154 189 177 ARG CG C 27.84 0.30 . 1155 189 177 ARG CD C 43.66 0.30 . 1156 189 177 ARG N N 127.07 0.30 . 1157 190 178 LYS H H 8.57 0.02 . 1158 190 178 LYS HA H 4.41 0.02 . 1159 190 178 LYS HB2 H 1.80 0.02 . 1160 190 178 LYS HB3 H 1.06 0.02 . 1161 190 178 LYS HG2 H 1.52 0.02 . 1162 190 178 LYS HG3 H 1.41 0.02 . 1163 190 178 LYS HD2 H 1.45 0.02 . 1164 190 178 LYS HD3 H 1.42 0.02 . 1165 190 178 LYS HE2 H 2.82 0.02 . 1166 190 178 LYS HE3 H 2.76 0.02 . 1167 190 178 LYS CA C 55.06 0.30 . 1168 190 178 LYS CB C 34.47 0.30 . 1169 190 178 LYS CG C 24.56 0.30 . 1170 190 178 LYS CD C 29.05 0.30 . 1171 190 178 LYS CE C 42.28 0.30 . 1172 190 178 LYS N N 124.78 0.30 . 1173 191 179 GLU H H 8.44 0.02 . 1174 191 179 GLU HA H 4.58 0.02 . 1175 191 179 GLU HB2 H 1.87 0.02 . 1176 191 179 GLU HB3 H 1.73 0.02 . 1177 191 179 GLU HG2 H 2.04 0.02 . 1178 191 179 GLU HG3 H 2.13 0.02 . 1179 191 179 GLU CA C 54.59 0.30 . 1180 191 179 GLU CB C 32.97 0.30 . 1181 191 179 GLU CG C 36.82 0.30 . 1182 191 179 GLU N N 118.21 0.30 . 1183 192 180 PHE H H 9.12 0.02 . 1184 192 180 PHE HA H 5.09 0.02 . 1185 192 180 PHE HB2 H 2.69 0.02 . 1186 192 180 PHE HB3 H 2.77 0.02 . 1187 192 180 PHE HD1 H 7.00 0.02 . 1188 192 180 PHE HD2 H 7.00 0.02 . 1189 192 180 PHE HE1 H 7.51 0.02 . 1190 192 180 PHE HE2 H 7.51 0.02 . 1191 192 180 PHE HZ H 7.51 0.02 . 1192 192 180 PHE CA C 56.84 0.30 . 1193 192 180 PHE CB C 42.62 0.30 . 1194 192 180 PHE CD1 C 131.49 0.30 . 1195 192 180 PHE CE1 C 131.95 0.30 . 1196 192 180 PHE CZ C 130.69 0.30 . 1197 192 180 PHE N N 123.12 0.30 . 1198 193 181 THR H H 8.91 0.02 . 1199 193 181 THR HA H 5.24 0.02 . 1200 193 181 THR HB H 4.04 0.02 . 1201 193 181 THR HG2 H 1.21 0.02 . 1202 193 181 THR CA C 61.21 0.30 . 1203 193 181 THR CB C 69.61 0.30 . 1204 193 181 THR CG2 C 22.17 0.30 . 1205 193 181 THR N N 117.54 0.30 . 1206 194 182 MET H H 9.64 0.02 . 1207 194 182 MET HA H 5.61 0.02 . 1208 194 182 MET HB2 H 2.06 0.02 . 1209 194 182 MET HB3 H 1.72 0.02 . 1210 194 182 MET HG2 H 2.48 0.02 . 1211 194 182 MET HG3 H 2.48 0.02 . 1212 194 182 MET HE H 2.00 0.02 . 1213 194 182 MET CA C 52.66 0.30 . 1214 194 182 MET CB C 37.83 0.30 . 1215 194 182 MET CG C 32.61 0.30 . 1216 194 182 MET CE C 17.75 0.30 . 1217 194 182 MET N N 126.26 0.30 . 1218 195 183 THR H H 9.40 0.02 . 1219 195 183 THR HA H 5.11 0.02 . 1220 195 183 THR HB H 4.08 0.02 . 1221 195 183 THR HG2 H 1.21 0.02 . 1222 195 183 THR CA C 60.42 0.30 . 1223 195 183 THR CB C 69.63 0.30 . 1224 195 183 THR CG2 C 22.15 0.30 . 1225 195 183 THR N N 117.03 0.30 . 1226 196 184 CYS H H 9.25 0.02 . 1227 196 184 CYS HA H 4.74 0.02 . 1228 196 184 CYS HB2 H 2.62 0.02 . 1229 196 184 CYS HB3 H 2.44 0.02 . 1230 196 184 CYS HG H 0.89 0.02 . 1231 196 184 CYS CA C 55.95 0.30 . 1232 196 184 CYS CB C 29.78 0.30 . 1233 196 184 CYS N N 124.91 0.30 . 1234 197 185 ARG H H 8.86 0.02 . 1235 197 185 ARG HA H 5.37 0.02 . 1236 197 185 ARG HB2 H 1.85 0.02 . 1237 197 185 ARG HB3 H 1.60 0.02 . 1238 197 185 ARG HG2 H 1.61 0.02 . 1239 197 185 ARG HG3 H 1.41 0.02 . 1240 197 185 ARG HD2 H 3.19 0.02 . 1241 197 185 ARG HD3 H 3.19 0.02 . 1242 197 185 ARG CA C 53.65 0.30 . 1243 197 185 ARG CB C 33.51 0.30 . 1244 197 185 ARG CG C 27.76 0.30 . 1245 197 185 ARG CD C 43.50 0.30 . 1246 197 185 ARG N N 128.72 0.30 . 1247 198 186 VAL H H 8.22 0.02 . 1248 198 186 VAL HA H 4.28 0.02 . 1249 198 186 VAL HB H 2.36 0.02 . 1250 198 186 VAL HG1 H 1.08 0.02 . 1251 198 186 VAL HG2 H 1.19 0.02 . 1252 198 186 VAL CA C 60.43 0.30 . 1253 198 186 VAL CB C 36.16 0.30 . 1254 198 186 VAL CG1 C 24.05 0.30 . 1255 198 186 VAL CG2 C 22.73 0.30 . 1256 198 186 VAL N N 126.71 0.30 . 1257 199 187 GLU H H 8.98 0.02 . 1258 199 187 GLU HA H 3.44 0.02 . 1259 199 187 GLU HB2 H 1.37 0.02 . 1260 199 187 GLU HB3 H 1.64 0.02 . 1261 199 187 GLU HG2 H 1.67 0.02 . 1262 199 187 GLU HG3 H 1.10 0.02 . 1263 199 187 GLU CA C 57.58 0.30 . 1264 199 187 GLU CB C 26.96 0.30 . 1265 199 187 GLU CG C 35.43 0.30 . 1266 199 187 GLU N N 124.49 0.30 . 1267 200 188 ARG H H 7.57 0.02 . 1268 200 188 ARG HA H 4.31 0.02 . 1269 200 188 ARG HB2 H 1.46 0.02 . 1270 200 188 ARG HB3 H 1.75 0.02 . 1271 200 188 ARG HG2 H 1.17 0.02 . 1272 200 188 ARG HG3 H 1.17 0.02 . 1273 200 188 ARG HD2 H 3.03 0.02 . 1274 200 188 ARG HD3 H 3.03 0.02 . 1275 200 188 ARG CA C 54.91 0.30 . 1276 200 188 ARG CB C 29.56 0.30 . 1277 200 188 ARG CG C 26.42 0.30 . 1278 200 188 ARG CD C 43.25 0.30 . 1279 200 188 ARG N N 120.98 0.30 . 1280 201 189 PHE H H 8.82 0.02 . 1281 201 189 PHE HA H 4.83 0.02 . 1282 201 189 PHE HB2 H 3.30 0.02 . 1283 201 189 PHE HB3 H 3.00 0.02 . 1284 201 189 PHE HD1 H 7.24 0.02 . 1285 201 189 PHE HD2 H 7.24 0.02 . 1286 201 189 PHE HE1 H 7.34 0.02 . 1287 201 189 PHE HE2 H 7.34 0.02 . 1288 201 189 PHE HZ H 7.40 0.02 . 1289 201 189 PHE CA C 55.63 0.30 . 1290 201 189 PHE CB C 41.28 0.30 . 1291 201 189 PHE CD1 C 131.49 0.30 . 1292 201 189 PHE CE1 C 131.44 0.30 . 1293 201 189 PHE CZ C 129.88 0.30 . 1294 201 189 PHE N N 122.20 0.30 . 1295 202 190 ILE H H 8.51 0.02 . 1296 202 190 ILE HA H 5.14 0.02 . 1297 202 190 ILE HB H 1.72 0.02 . 1298 202 190 ILE HG12 H 0.96 0.02 . 1299 202 190 ILE HG13 H 1.52 0.02 . 1300 202 190 ILE HG2 H 0.87 0.02 . 1301 202 190 ILE HD1 H 0.86 0.02 . 1302 202 190 ILE CA C 59.50 0.30 . 1303 202 190 ILE CB C 41.61 0.30 . 1304 202 190 ILE CG1 C 28.00 0.30 . 1305 202 190 ILE CG2 C 17.15 0.30 . 1306 202 190 ILE CD1 C 13.64 0.30 . 1307 202 190 ILE N N 121.77 0.30 . 1308 203 191 GLU H H 8.76 0.02 . 1309 203 191 GLU HA H 4.93 0.02 . 1310 203 191 GLU HB2 H 1.60 0.02 . 1311 203 191 GLU HB3 H 2.32 0.02 . 1312 203 191 GLU CA C 53.39 0.30 . 1313 203 191 GLU CB C 35.14 0.30 . 1314 203 191 GLU N N 124.93 0.30 . 1315 204 192 ILE H H 8.83 0.02 . 1316 204 192 ILE HA H 5.22 0.02 . 1317 204 192 ILE HB H 1.73 0.02 . 1318 204 192 ILE HG12 H 1.13 0.02 . 1319 204 192 ILE HG13 H 1.50 0.02 . 1320 204 192 ILE HG2 H 0.91 0.02 . 1321 204 192 ILE HD1 H 0.86 0.02 . 1322 204 192 ILE CA C 59.14 0.30 . 1323 204 192 ILE CB C 41.25 0.30 . 1324 204 192 ILE CG1 C 27.65 0.30 . 1325 204 192 ILE CG2 C 18.41 0.30 . 1326 204 192 ILE CD1 C 13.90 0.30 . 1327 204 192 ILE N N 119.61 0.30 . 1328 205 193 GLY H H 9.28 0.02 . 1329 205 193 GLY HA2 H 3.88 0.02 . 1330 205 193 GLY HA3 H 4.86 0.02 . 1331 205 193 GLY CA C 43.99 0.30 . 1332 205 193 GLY N N 111.78 0.30 . 1333 206 194 SER H H 8.69 0.02 . 1334 206 194 SER HA H 6.16 0.02 . 1335 206 194 SER HB2 H 3.94 0.02 . 1336 206 194 SER HB3 H 3.84 0.02 . 1337 206 194 SER CA C 55.80 0.30 . 1338 206 194 SER CB C 65.96 0.30 . 1339 206 194 SER N N 114.85 0.30 . 1340 207 195 GLY H H 8.77 0.02 . 1341 207 195 GLY HA2 H 4.71 0.02 . 1342 207 195 GLY HA3 H 4.12 0.02 . 1343 207 195 GLY CA C 45.92 0.30 . 1344 207 195 GLY N N 107.15 0.30 . 1345 208 196 THR H H 8.07 0.02 . 1346 208 196 THR HA H 4.84 0.02 . 1347 208 196 THR HB H 4.98 0.02 . 1348 208 196 THR HG2 H 1.41 0.02 . 1349 208 196 THR CA C 61.82 0.30 . 1350 208 196 THR CB C 67.33 0.30 . 1351 208 196 THR CG2 C 22.27 0.30 . 1352 208 196 THR N N 109.57 0.30 . 1353 209 197 SER H H 7.66 0.02 . 1354 209 197 SER HA H 4.95 0.02 . 1355 209 197 SER HB2 H 4.43 0.02 . 1356 209 197 SER HB3 H 4.06 0.02 . 1357 209 197 SER CA C 54.76 0.30 . 1358 209 197 SER CB C 66.15 0.30 . 1359 209 197 SER N N 110.95 0.30 . 1360 210 198 LYS H H 9.53 0.02 . 1361 210 198 LYS HA H 3.42 0.02 . 1362 210 198 LYS HB2 H 1.57 0.02 . 1363 210 198 LYS HB3 H 1.50 0.02 . 1364 210 198 LYS HG2 H 0.56 0.02 . 1365 210 198 LYS HG3 H 0.39 0.02 . 1366 210 198 LYS HD2 H 1.52 0.02 . 1367 210 198 LYS HD3 H 1.61 0.02 . 1368 210 198 LYS HE2 H 2.78 0.02 . 1369 210 198 LYS HE3 H 2.57 0.02 . 1370 210 198 LYS CA C 60.40 0.30 . 1371 210 198 LYS CB C 31.80 0.30 . 1372 210 198 LYS CG C 26.96 0.30 . 1373 210 198 LYS CD C 30.03 0.30 . 1374 210 198 LYS CE C 42.49 0.30 . 1375 210 198 LYS N N 124.17 0.30 . 1376 211 199 LYS H H 8.41 0.02 . 1377 211 199 LYS HA H 3.87 0.02 . 1378 211 199 LYS HB2 H 1.82 0.02 . 1379 211 199 LYS HB3 H 1.70 0.02 . 1380 211 199 LYS HG2 H 1.49 0.02 . 1381 211 199 LYS HG3 H 1.39 0.02 . 1382 211 199 LYS HD2 H 1.78 0.02 . 1383 211 199 LYS HD3 H 1.71 0.02 . 1384 211 199 LYS HE2 H 3.01 0.02 . 1385 211 199 LYS HE3 H 3.01 0.02 . 1386 211 199 LYS CA C 59.02 0.30 . 1387 211 199 LYS CB C 32.19 0.30 . 1388 211 199 LYS CG C 24.89 0.30 . 1389 211 199 LYS CD C 29.35 0.30 . 1390 211 199 LYS CE C 41.71 0.30 . 1391 211 199 LYS N N 117.87 0.30 . 1392 212 200 LEU H H 7.96 0.02 . 1393 212 200 LEU HA H 4.16 0.02 . 1394 212 200 LEU HB2 H 1.82 0.02 . 1395 212 200 LEU HB3 H 1.70 0.02 . 1396 212 200 LEU HG H 1.70 0.02 . 1397 212 200 LEU HD1 H 1.10 0.02 . 1398 212 200 LEU HD2 H 1.04 0.02 . 1399 212 200 LEU CA C 56.81 0.30 . 1400 212 200 LEU CB C 42.17 0.30 . 1401 212 200 LEU CG C 27.81 0.30 . 1402 212 200 LEU CD1 C 25.08 0.30 . 1403 212 200 LEU CD2 C 23.66 0.30 . 1404 212 200 LEU N N 120.73 0.30 . 1405 213 201 ALA H H 8.12 0.02 . 1406 213 201 ALA HA H 3.83 0.02 . 1407 213 201 ALA HB H 1.51 0.02 . 1408 213 201 ALA CA C 54.99 0.30 . 1409 213 201 ALA CB C 18.52 0.30 . 1410 213 201 ALA N N 122.91 0.30 . 1411 214 202 LYS H H 8.43 0.02 . 1412 214 202 LYS HA H 3.71 0.02 . 1413 214 202 LYS HB2 H 1.85 0.02 . 1414 214 202 LYS HB3 H 1.78 0.02 . 1415 214 202 LYS HG2 H 0.81 0.02 . 1416 214 202 LYS HG3 H 0.68 0.02 . 1417 214 202 LYS HD2 H 1.38 0.02 . 1418 214 202 LYS HD3 H 1.16 0.02 . 1419 214 202 LYS HE2 H 1.73 0.02 . 1420 214 202 LYS HE3 H 2.00 0.02 . 1421 214 202 LYS CA C 59.60 0.30 . 1422 214 202 LYS CB C 33.55 0.30 . 1423 214 202 LYS CG C 25.95 0.30 . 1424 214 202 LYS CD C 29.53 0.30 . 1425 214 202 LYS CE C 41.62 0.30 . 1426 214 202 LYS N N 118.90 0.30 . 1427 215 203 ARG H H 8.02 0.02 . 1428 215 203 ARG HA H 3.88 0.02 . 1429 215 203 ARG HB2 H 2.12 0.02 . 1430 215 203 ARG HB3 H 2.01 0.02 . 1431 215 203 ARG HG2 H 1.92 0.02 . 1432 215 203 ARG HG3 H 1.79 0.02 . 1433 215 203 ARG HD2 H 3.32 0.02 . 1434 215 203 ARG HD3 H 3.28 0.02 . 1435 215 203 ARG CA C 59.04 0.30 . 1436 215 203 ARG CB C 30.93 0.30 . 1437 215 203 ARG CG C 27.75 0.30 . 1438 215 203 ARG CD C 44.27 0.30 . 1439 215 203 ARG N N 118.09 0.30 . 1440 216 204 ASN H H 8.23 0.02 . 1441 216 204 ASN HA H 4.71 0.02 . 1442 216 204 ASN HB2 H 3.12 0.02 . 1443 216 204 ASN HB3 H 3.03 0.02 . 1444 216 204 ASN HD21 H 7.80 0.02 . 1445 216 204 ASN HD22 H 7.16 0.02 . 1446 216 204 ASN CA C 55.21 0.30 . 1447 216 204 ASN CB C 38.89 0.30 . 1448 216 204 ASN N N 117.03 0.30 . 1449 216 204 ASN ND2 N 111.23 0.30 . 1450 217 205 ALA H H 8.48 0.02 . 1451 217 205 ALA HA H 3.97 0.02 . 1452 217 205 ALA HB H 1.58 0.02 . 1453 217 205 ALA CA C 54.72 0.30 . 1454 217 205 ALA CB C 18.43 0.30 . 1455 217 205 ALA N N 123.64 0.30 . 1456 218 206 ALA H H 8.79 0.02 . 1457 218 206 ALA HA H 4.24 0.02 . 1458 218 206 ALA HB H 1.70 0.02 . 1459 218 206 ALA CA C 54.40 0.30 . 1460 218 206 ALA CB C 18.96 0.30 . 1461 218 206 ALA N N 119.59 0.30 . 1462 219 207 ALA H H 8.64 0.02 . 1463 219 207 ALA HA H 4.11 0.02 . 1464 219 207 ALA HB H 1.68 0.02 . 1465 219 207 ALA CA C 54.54 0.30 . 1466 219 207 ALA CB C 18.35 0.30 . 1467 219 207 ALA N N 119.15 0.30 . 1468 220 208 LYS H H 7.71 0.02 . 1469 220 208 LYS HA H 4.12 0.02 . 1470 220 208 LYS HB2 H 2.02 0.02 . 1471 220 208 LYS HB3 H 2.02 0.02 . 1472 220 208 LYS HG2 H 1.95 0.02 . 1473 220 208 LYS HG3 H 1.58 0.02 . 1474 220 208 LYS HD2 H 1.94 0.02 . 1475 220 208 LYS HD3 H 1.94 0.02 . 1476 220 208 LYS HE2 H 3.21 0.02 . 1477 220 208 LYS HE3 H 3.25 0.02 . 1478 220 208 LYS CA C 58.66 0.30 . 1479 220 208 LYS CB C 32.91 0.30 . 1480 220 208 LYS CG C 26.10 0.30 . 1481 220 208 LYS CD C 29.66 0.30 . 1482 220 208 LYS CE C 42.61 0.30 . 1483 220 208 LYS N N 117.49 0.30 . 1484 221 209 MET H H 8.38 0.02 . 1485 221 209 MET HA H 4.56 0.02 . 1486 221 209 MET HB2 H 2.71 0.02 . 1487 221 209 MET HB3 H 2.48 0.02 . 1488 221 209 MET HG2 H 2.52 0.02 . 1489 221 209 MET HG3 H 2.52 0.02 . 1490 221 209 MET HE H 1.92 0.02 . 1491 221 209 MET CA C 55.67 0.30 . 1492 221 209 MET CB C 32.97 0.30 . 1493 221 209 MET CG C 29.88 0.30 . 1494 221 209 MET CE C 18.57 0.30 . 1495 221 209 MET N N 121.08 0.30 . 1496 222 210 LEU H H 8.76 0.02 . 1497 222 210 LEU HA H 3.97 0.02 . 1498 222 210 LEU HB2 H 1.99 0.02 . 1499 222 210 LEU HB3 H 1.71 0.02 . 1500 222 210 LEU HG H 1.85 0.02 . 1501 222 210 LEU HD1 H 1.04 0.02 . 1502 222 210 LEU HD2 H 0.91 0.02 . 1503 222 210 LEU CA C 57.34 0.30 . 1504 222 210 LEU CB C 42.43 0.30 . 1505 222 210 LEU CG C 27.50 0.30 . 1506 222 210 LEU CD1 C 25.38 0.30 . 1507 222 210 LEU CD2 C 24.42 0.30 . 1508 222 210 LEU N N 121.14 0.30 . 1509 223 211 LEU H H 7.13 0.02 . 1510 223 211 LEU HA H 4.21 0.02 . 1511 223 211 LEU HB2 H 1.68 0.02 . 1512 223 211 LEU HB3 H 1.93 0.02 . 1513 223 211 LEU HG H 1.92 0.02 . 1514 223 211 LEU HD1 H 1.05 0.02 . 1515 223 211 LEU HD2 H 0.96 0.02 . 1516 223 211 LEU CA C 56.12 0.30 . 1517 223 211 LEU CB C 41.91 0.30 . 1518 223 211 LEU CG C 26.89 0.30 . 1519 223 211 LEU CD1 C 25.39 0.30 . 1520 223 211 LEU CD2 C 23.03 0.30 . 1521 223 211 LEU N N 115.48 0.30 . 1522 224 212 ARG H H 7.62 0.02 . 1523 224 212 ARG HA H 4.14 0.02 . 1524 224 212 ARG HB2 H 1.96 0.02 . 1525 224 212 ARG HB3 H 1.81 0.02 . 1526 224 212 ARG HG2 H 1.57 0.02 . 1527 224 212 ARG HG3 H 1.38 0.02 . 1528 224 212 ARG HD2 H 3.12 0.02 . 1529 224 212 ARG HD3 H 3.12 0.02 . 1530 224 212 ARG HE H 7.59 0.02 . 1531 224 212 ARG CA C 55.99 0.30 . 1532 224 212 ARG CB C 30.12 0.30 . 1533 224 212 ARG CG C 26.08 0.30 . 1534 224 212 ARG CD C 42.48 0.30 . 1535 224 212 ARG N N 118.08 0.30 . 1536 225 213 VAL H H 7.74 0.02 . 1537 225 213 VAL HA H 4.12 0.02 . 1538 225 213 VAL HB H 2.32 0.02 . 1539 225 213 VAL HG1 H 0.90 0.02 . 1540 225 213 VAL HG2 H 0.99 0.02 . 1541 225 213 VAL CA C 61.79 0.30 . 1542 225 213 VAL CB C 32.38 0.30 . 1543 225 213 VAL CG1 C 22.15 0.30 . 1544 225 213 VAL CG2 C 20.65 0.30 . 1545 225 213 VAL N N 111.42 0.30 . 1546 226 214 HIS H H 7.80 0.02 . 1547 226 214 HIS HA H 4.79 0.02 . 1548 226 214 HIS HB2 H 3.18 0.02 . 1549 226 214 HIS HB3 H 3.42 0.02 . 1550 226 214 HIS HD2 H 7.21 0.02 . 1551 226 214 HIS HE1 H 8.21 0.02 . 1552 226 214 HIS CA C 55.31 0.30 . 1553 226 214 HIS CB C 30.08 0.30 . 1554 226 214 HIS CD2 C 120.41 0.30 . 1555 226 214 HIS CE1 C 137.51 0.30 . 1556 226 214 HIS N N 120.38 0.30 . 1557 227 215 THR H H 7.68 0.02 . 1558 227 215 THR HA H 4.18 0.02 . 1559 227 215 THR HB H 4.33 0.02 . 1560 227 215 THR HG2 H 1.26 0.02 . 1561 227 215 THR CA C 62.94 0.30 . 1562 227 215 THR CB C 69.77 0.30 . 1563 227 215 THR CG2 C 22.21 0.30 . 1564 227 215 THR N N 120.71 0.30 . stop_ save_