data_30528 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Shuttle proteins complex ; _BMRB_accession_number 30528 _BMRB_flat_file_name bmr30528.str _Entry_type original _Submission_date 2018-10-23 _Accession_date 2018-10-23 _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 Chen X. . . 2 Walters K. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1594 "13C chemical shifts" 851 "15N chemical shifts" 279 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-30 original BMRB . stop_ _Original_release_date 2018-10-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Protein complex of receptor and shuttle factor ; _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 Chen X. . . 2 Walters K. J. . 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 '26S proteasome non-ATPase regulatory subunit 4, Ubiquilin-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'entity_2, 1' $entity_2 'entity_2, 2' $entity_2 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 11826.878 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MLGLGASDFEFGVDPSADPE LALALRVSMEEQRQRQEEEA RRAAAASAAEAGIATTGTED SDDALLKMTISQQEFGRTGL PDLSSMTEEEQIAYAMQMSL QGAEFGQAESA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 196 MET 2 197 LEU 3 198 GLY 4 199 LEU 5 200 GLY 6 201 ALA 7 202 SER 8 203 ASP 9 204 PHE 10 205 GLU 11 206 PHE 12 207 GLY 13 208 VAL 14 209 ASP 15 210 PRO 16 211 SER 17 212 ALA 18 213 ASP 19 214 PRO 20 215 GLU 21 216 LEU 22 217 ALA 23 218 LEU 24 219 ALA 25 220 LEU 26 221 ARG 27 222 VAL 28 223 SER 29 224 MET 30 225 GLU 31 226 GLU 32 227 GLN 33 228 ARG 34 229 GLN 35 230 ARG 36 231 GLN 37 232 GLU 38 233 GLU 39 234 GLU 40 235 ALA 41 236 ARG 42 237 ARG 43 238 ALA 44 239 ALA 45 240 ALA 46 241 ALA 47 242 SER 48 243 ALA 49 244 ALA 50 245 GLU 51 246 ALA 52 247 GLY 53 248 ILE 54 249 ALA 55 250 THR 56 251 THR 57 252 GLY 58 253 THR 59 254 GLU 60 255 ASP 61 256 SER 62 257 ASP 63 258 ASP 64 259 ALA 65 260 LEU 66 261 LEU 67 262 LYS 68 263 MET 69 264 THR 70 265 ILE 71 266 SER 72 267 GLN 73 268 GLN 74 269 GLU 75 270 PHE 76 271 GLY 77 272 ARG 78 273 THR 79 274 GLY 80 275 LEU 81 276 PRO 82 277 ASP 83 278 LEU 84 279 SER 85 280 SER 86 281 MET 87 282 THR 88 283 GLU 89 284 GLU 90 285 GLU 91 286 GLN 92 287 ILE 93 288 ALA 94 289 TYR 95 290 ALA 96 291 MET 97 292 GLN 98 293 MET 99 294 SER 100 295 LEU 101 296 GLN 102 297 GLY 103 298 ALA 104 299 GLU 105 300 PHE 106 301 GLY 107 302 GLN 108 303 ALA 109 304 GLU 110 305 SER 111 306 ALA 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 protein _Name_common entity_2 _Molecular_mass 8764.189 _Mol_thiol_state 'not present' _Details . _Residue_count 78 _Mol_residue_sequence ; APAEPKIIKVTVKTPKEKEE FAVPENSSVQQFKEAISKRF KSQTDQLVLIFAGKILKDQD TLIQHGIHDGLTVHLVIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 ALA 2 27 PRO 3 28 ALA 4 29 GLU 5 30 PRO 6 31 LYS 7 32 ILE 8 33 ILE 9 34 LYS 10 35 VAL 11 36 THR 12 37 VAL 13 38 LYS 14 39 THR 15 40 PRO 16 41 LYS 17 42 GLU 18 43 LYS 19 44 GLU 20 45 GLU 21 46 PHE 22 47 ALA 23 48 VAL 24 49 PRO 25 50 GLU 26 51 ASN 27 52 SER 28 53 SER 29 54 VAL 30 55 GLN 31 56 GLN 32 57 PHE 33 58 LYS 34 59 GLU 35 60 ALA 36 61 ILE 37 62 SER 38 63 LYS 39 64 ARG 40 65 PHE 41 66 LYS 42 67 SER 43 68 GLN 44 69 THR 45 70 ASP 46 71 GLN 47 72 LEU 48 73 VAL 49 74 LEU 50 75 ILE 51 76 PHE 52 77 ALA 53 78 GLY 54 79 LYS 55 80 ILE 56 81 LEU 57 82 LYS 58 83 ASP 59 84 GLN 60 85 ASP 61 86 THR 62 87 LEU 63 88 ILE 64 89 GLN 65 90 HIS 66 91 GLY 67 92 ILE 68 93 HIS 69 94 ASP 70 95 GLY 71 96 LEU 72 97 THR 73 98 VAL 74 99 HIS 75 100 LEU 76 101 VAL 77 102 ILE 78 103 LYS 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 'PSMD4, MCB1' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'UBQLN2, N4BP4, PLIC2, HRIHFB2157' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . $entity_2 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.6 mM [U-100% 15N] hRpn10 196-306, 1.38 mM UBQLN2 UBL, 20 mM NaPO4, 50 mM sodium chloride, 2 mM DTT, 0.1 % sodium azide, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-100% 15N]' $entity_2 1.38 mM 'natural abundance' NaPO4 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 0.6 mM [U-100% 13C] hRpn10 196-306, 1.38 mM UBQLN2 UBL, 20 mM NaPO4, 50 mM sodium chloride, 2 mM DTT, 0.1 % sodium azide, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-100% 13C]' $entity_2 1.38 mM 'natural abundance' NaPO4 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 0.6 mM [U-100% 15N; U-100% 2H] hRpn10 196-306, 1.38 mM UBQLN2 UBL, 20 mM NaPO4, 50 mM sodium chloride, 2 mM DTT, 0.1 % sodium azide, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-100% 15N; U-100% 2H]' $entity_2 1.38 mM 'natural abundance' NaPO4 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 0.6 mM [U-100% 13C; U-100% 15N] UBQLN2 UBL, 0.6 mM hRpn10 196-306, 20 mM NaPO4, 50 mM sodium chloride, 2 mM DTT, 0.1 % sodium azide, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM 'natural abundance' $entity_2 0.6 mM '[U-100% 13C; U-100% 15N]' NaPO4 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details ; 0.6 mM [U-100% 13C; U-100% 15N] UBQLN2 UBL, 0.6 mM hRpn10 196-306, 20 mM NaPO4, 50 mM sodium chloride, 2 mM DTT, 0.1 % sodium azide, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM 'natural abundance' $entity_2 0.6 mM '[U-100% 13C; U-100% 15N]' NaPO4 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details ; 0.6 mM [U-100% 13C; U-100% 15N] UBQLN2 UBL, 20 mM NaPO4, 50 mM sodium chloride, 2 mM DTT, 0.1 % sodium azide, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.6 mM '[U-100% 13C; U-100% 15N]' NaPO4 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_5 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_half-filter_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C half-filter NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_6 save_ save_3D_1H-13C_half-filter_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C half-filter NOESY' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_5 save_ save_3D_1H-13C_half-filter_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C half-filter NOESY' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_5 save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 carbons' ppm 0 na indirect . . . 2.51449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aliphatic' '3D 1H-13C half-filter NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_5 $sample_4 $sample_3 $sample_6 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 1 196 1 MET H H 8.224 0 . 2 196 1 MET HA H 4.419 0 . 3 196 1 MET HB2 H 1.939 0 . 4 196 1 MET HB3 H 2.047 0 . 5 196 1 MET HG2 H 2.369 0 . 6 196 1 MET HG3 H 2.474 0 . 7 196 1 MET HE H 2.029 0 . 8 196 1 MET CA C 55.557 0 . 9 196 1 MET CB C 32.611 0 . 10 196 1 MET CG C 32.012 0.001 . 11 196 1 MET CE C 16.839 0 . 12 196 1 MET N N 121.226 0 . 13 197 2 LEU H H 8.22 0 . 14 197 2 LEU HA H 4.317 0 . 15 197 2 LEU HB2 H 1.567 0 . 16 197 2 LEU HB3 H 1.642 0 . 17 197 2 LEU HD1 H 0.823 0 . 18 197 2 LEU HD2 H 0.872 0.001 . 19 197 2 LEU CA C 55.173 0 . 20 197 2 LEU CB C 42.254 0.003 . 21 197 2 LEU CD1 C 23.284 0 . 22 197 2 LEU CD2 C 24.949 0 . 23 197 2 LEU N N 122.497 0 . 24 198 3 GLY H H 8.373 0 . 25 198 3 GLY HA2 H 3.916 0 . 26 198 3 GLY HA3 H 3.916 0 . 27 198 3 GLY CA C 45.088 0 . 28 198 3 GLY N N 109.295 0 . 29 199 4 LEU H H 8.099 0.001 . 30 199 4 LEU HA H 4.32 0 . 31 199 4 LEU HB2 H 1.561 0 . 32 199 4 LEU HB3 H 1.639 0 . 33 199 4 LEU HD1 H 0.815 0 . 34 199 4 LEU HD2 H 0.905 0 . 35 199 4 LEU CA C 55.265 0 . 36 199 4 LEU CB C 42.251 0 . 37 199 4 LEU CD1 C 23.306 0 . 38 199 4 LEU CD2 C 25.114 0 . 39 199 4 LEU N N 121.391 0 . 40 200 5 GLY H H 8.557 0 . 41 200 5 GLY HA2 H 3.958 0 . 42 200 5 GLY HA3 H 3.906 0 . 43 200 5 GLY CA C 44.926 0 . 44 200 5 GLY N N 109.922 0 . 45 201 6 ALA H H 8.143 0 . 46 201 6 ALA HA H 4.285 0 . 47 201 6 ALA HB H 1.363 0 . 48 201 6 ALA CA C 52.576 0 . 49 201 6 ALA CB C 19.277 0 . 50 201 6 ALA N N 123.534 0 . 51 202 7 SER H H 8.278 0 . 52 202 7 SER HA H 4.382 0.001 . 53 202 7 SER HB2 H 3.766 0 . 54 202 7 SER HB3 H 3.833 0.002 . 55 202 7 SER CA C 58.278 0 . 56 202 7 SER CB C 63.609 0 . 57 202 7 SER N N 114.18 0 . 58 203 8 ASP H H 8.167 0 . 59 203 8 ASP HA H 4.509 0 . 60 203 8 ASP HB2 H 2.442 0 . 61 203 8 ASP HB3 H 2.527 0 . 62 203 8 ASP CA C 54.464 0 . 63 203 8 ASP CB C 41.102 0 . 64 203 8 ASP N N 121.608 0 . 65 204 9 PHE H H 7.978 0 . 66 204 9 PHE HA H 4.553 0 . 67 204 9 PHE HB2 H 2.814 0 . 68 204 9 PHE HB3 H 3.092 0 . 69 204 9 PHE HD1 H 7.158 0 . 70 204 9 PHE HD2 H 7.158 0 . 71 204 9 PHE HE1 H 7.26 0.001 . 72 204 9 PHE HE2 H 7.26 0.001 . 73 204 9 PHE CA C 57.568 0 . 74 204 9 PHE CB C 39.945 0 . 75 204 9 PHE N N 119.219 0 . 76 205 10 GLU H H 8.353 0 . 77 205 10 GLU HA H 4.063 0 . 78 205 10 GLU HB2 H 1.781 0 . 79 205 10 GLU HB3 H 1.781 0 . 80 205 10 GLU HG2 H 1.856 0 . 81 205 10 GLU HG3 H 2.017 0 . 82 205 10 GLU CA C 56.968 0 . 83 205 10 GLU CB C 30.117 0 . 84 205 10 GLU CG C 36.024 0 . 85 205 10 GLU N N 123.087 0 . 86 206 11 PHE H H 8.277 0.001 . 87 206 11 PHE HA H 4.539 0 . 88 206 11 PHE HB2 H 3.019 0 . 89 206 11 PHE HB3 H 3.252 0 . 90 206 11 PHE HD1 H 7.236 0.002 . 91 206 11 PHE HD2 H 7.236 0.002 . 92 206 11 PHE HE1 H 7.291 0.003 . 93 206 11 PHE HE2 H 7.291 0.003 . 94 206 11 PHE CA C 57.854 0 . 95 206 11 PHE CB C 39.367 0 . 96 206 11 PHE N N 119.54 0 . 97 207 12 GLY H H 8.244 0 . 98 207 12 GLY HA2 H 3.948 0 . 99 207 12 GLY HA3 H 3.876 0 . 100 207 12 GLY CA C 45.09 0 . 101 207 12 GLY N N 109.063 0 . 102 208 13 VAL H H 7.564 0.002 . 103 208 13 VAL HA H 4.124 0 . 104 208 13 VAL HB H 1.918 0 . 105 208 13 VAL HG1 H 0.81 0.001 . 106 208 13 VAL HG2 H 0.811 0.001 . 107 208 13 VAL CA C 61.582 0 . 108 208 13 VAL CB C 33.586 0 . 109 208 13 VAL CG1 C 20.607 0 . 110 208 13 VAL CG2 C 21.17 0 . 111 208 13 VAL N N 118.322 0 . 112 209 14 ASP H H 8.526 0 . 113 209 14 ASP HA H 4.517 0 . 114 209 14 ASP HB2 H 2.424 0 . 115 209 14 ASP HB3 H 2.769 0 . 116 209 14 ASP CA C 50.929 0 . 117 209 14 ASP CB C 41.535 0 . 118 209 14 ASP N N 126.126 0 . 119 210 15 PRO HA H 4.179 0.001 . 120 210 15 PRO HB2 H 1.94 0.001 . 121 210 15 PRO HB3 H 2.145 0.001 . 122 210 15 PRO HG2 H 1.904 0 . 123 210 15 PRO HG3 H 1.987 0.002 . 124 210 15 PRO HD2 H 3.748 0 . 125 210 15 PRO HD3 H 3.939 0.002 . 126 210 15 PRO CA C 64.081 0 . 127 210 15 PRO CB C 32.141 0 . 128 210 15 PRO CG C 27.045 0 . 129 210 15 PRO CD C 50.833 0 . 130 211 16 SER H H 8.251 0.001 . 131 211 16 SER HA H 4.245 0.001 . 132 211 16 SER HB2 H 3.809 0 . 133 211 16 SER HB3 H 3.876 0.001 . 134 211 16 SER CA C 59.6 0 . 135 211 16 SER CB C 63.432 0 . 136 211 16 SER N N 112.966 0 . 137 212 17 ALA H H 7.564 0 . 138 212 17 ALA HA H 4.296 0 . 139 212 17 ALA HB H 1.384 0 . 140 212 17 ALA CA C 52.106 0 . 141 212 17 ALA CB C 19.422 0 . 142 212 17 ALA N N 124.377 0 . 143 213 18 ASP H H 7.811 0 . 144 213 18 ASP HA H 4.938 0 . 145 213 18 ASP HB2 H 2.455 0 . 146 213 18 ASP HB3 H 2.854 0 . 147 213 18 ASP CA C 51.959 0 . 148 213 18 ASP CB C 41.824 0 . 149 213 18 ASP N N 118.728 0 . 150 214 19 PRO HA H 4.321 0 . 151 214 19 PRO HB2 H 1.982 0 . 152 214 19 PRO HB3 H 2.382 0.004 . 153 214 19 PRO HG2 H 2.064 0.001 . 154 214 19 PRO HG3 H 2.11 0.002 . 155 214 19 PRO HD2 H 3.633 0.001 . 156 214 19 PRO HD3 H 3.844 0 . 157 214 19 PRO CA C 65.237 0 . 158 214 19 PRO CB C 31.996 0 . 159 214 19 PRO CG C 27.371 0 . 160 214 19 PRO CD C 50.495 0 . 161 215 20 GLU H H 8.403 0 . 162 215 20 GLU HA H 4.085 0 . 163 215 20 GLU HB2 H 2.039 0 . 164 215 20 GLU HB3 H 1.975 0 . 165 215 20 GLU HG2 H 2.312 0 . 166 215 20 GLU HG3 H 2.362 0 . 167 215 20 GLU CA C 59.312 0 . 168 215 20 GLU CB C 29.973 0 . 169 215 20 GLU CG C 36.477 0 . 170 215 20 GLU N N 118.005 0 . 171 216 21 LEU H H 7.812 0.001 . 172 216 21 LEU HA H 3.997 0 . 173 216 21 LEU HB2 H 1.571 0 . 174 216 21 LEU HB3 H 1.651 0 . 175 216 21 LEU HG H 1.582 0 . 176 216 21 LEU HD1 H 0.817 0.002 . 177 216 21 LEU HD2 H 0.846 0 . 178 216 21 LEU CA C 57.432 0 . 179 216 21 LEU CB C 42.402 0 . 180 216 21 LEU CG C 26.937 0 . 181 216 21 LEU CD1 C 24.8 0 . 182 216 21 LEU CD2 C 24.769 0 . 183 216 21 LEU N N 121.611 0 . 184 217 22 ALA H H 8.157 0.002 . 185 217 22 ALA HA H 3.863 0 . 186 217 22 ALA HB H 1.405 0 . 187 217 22 ALA CA C 55.265 0 . 188 217 22 ALA CB C 18.057 0 . 189 217 22 ALA N N 119.642 0 . 190 218 23 LEU H H 7.801 0 . 191 218 23 LEU HA H 4.067 0.002 . 192 218 23 LEU HB2 H 1.654 0 . 193 218 23 LEU HB3 H 1.772 0.001 . 194 218 23 LEU HG H 1.613 0 . 195 218 23 LEU HD1 H 0.904 0 . 196 218 23 LEU HD2 H 0.899 0 . 197 218 23 LEU CA C 57.867 0 . 198 218 23 LEU CB C 41.68 0 . 199 218 23 LEU CG C 27.082 0 . 200 218 23 LEU CD1 C 25.058 0 . 201 218 23 LEU CD2 C 23.758 0 . 202 218 23 LEU N N 118.728 0 . 203 219 24 ALA H H 7.513 0 . 204 219 24 ALA HA H 3.838 0 . 205 219 24 ALA HB H 1.315 0.002 . 206 219 24 ALA CA C 54.057 0 . 207 219 24 ALA CB C 18.699 0 . 208 219 24 ALA N N 120.703 0 . 209 220 25 LEU H H 8.351 0 . 210 220 25 LEU HA H 4.245 0 . 211 220 25 LEU HB2 H 1.554 0.002 . 212 220 25 LEU HB3 H 1.662 0 . 213 220 25 LEU HD1 H 0.696 0.001 . 214 220 25 LEU HD2 H 0.818 0 . 215 220 25 LEU CA C 55.411 0 . 216 220 25 LEU CB C 42.258 0 . 217 220 25 LEU CD1 C 22.89 0 . 218 220 25 LEU CD2 C 24.914 0 . 219 220 25 LEU N N 118.529 0 . 220 221 26 ARG H H 7.725 0 . 221 221 26 ARG HA H 3.917 0 . 222 221 26 ARG HB2 H 1.952 0 . 223 221 26 ARG HB3 H 1.938 0 . 224 221 26 ARG HG2 H 1.576 0 . 225 221 26 ARG HG3 H 1.734 0 . 226 221 26 ARG HD2 H 3.184 0.002 . 227 221 26 ARG HD3 H 3.184 0.002 . 228 221 26 ARG CA C 59.745 0 . 229 221 26 ARG CB C 30.117 0 . 230 221 26 ARG CG C 27.18 0 . 231 221 26 ARG CD C 43.414 0 . 232 221 26 ARG N N 120.262 0 . 233 222 27 VAL H H 8.88 0 . 234 222 27 VAL HA H 3.701 0 . 235 222 27 VAL HB H 1.786 0 . 236 222 27 VAL HG1 H 0.767 0 . 237 222 27 VAL HG2 H 0.932 0 . 238 222 27 VAL CA C 65.961 0 . 239 222 27 VAL CB C 31.418 0 . 240 222 27 VAL CG1 C 21.3 0 . 241 222 27 VAL CG2 C 22.34 0 . 242 222 27 VAL N N 120.98 0 . 243 223 28 SER H H 8.123 0 . 244 223 28 SER HA H 4.144 0.001 . 245 223 28 SER HB2 H 3.78 0 . 246 223 28 SER HB3 H 3.941 0 . 247 223 28 SER CA C 60.034 0 . 248 223 28 SER CB C 62.926 0 . 249 223 28 SER N N 115.356 0 . 250 224 29 MET H H 8.404 0 . 251 224 29 MET HA H 4.29 0.001 . 252 224 29 MET HB2 H 2.251 0 . 253 224 29 MET HB3 H 2.251 0 . 254 224 29 MET HG2 H 2.48 0 . 255 224 29 MET HG3 H 2.556 0 . 256 224 29 MET HE H 2.053 0 . 257 224 29 MET CA C 58.001 0 . 258 224 29 MET CB C 32.141 0 . 259 224 29 MET CG C 32.285 0 . 260 224 29 MET CE C 17.254 0 . 261 224 29 MET N N 118.756 0 . 262 225 30 GLU H H 8.209 0 . 263 225 30 GLU HA H 4.138 0.002 . 264 225 30 GLU HB2 H 2.126 0.002 . 265 225 30 GLU HB3 H 2.236 0.001 . 266 225 30 GLU HG2 H 2.308 0.001 . 267 225 30 GLU HG3 H 2.398 0.001 . 268 225 30 GLU CA C 59.025 0 . 269 225 30 GLU CB C 28.945 0 . 270 225 30 GLU CG C 35.929 0 . 271 225 30 GLU N N 123.186 0 . 272 226 31 GLU H H 8.368 0 . 273 226 31 GLU HA H 4.091 0.001 . 274 226 31 GLU HB2 H 2.04 0 . 275 226 31 GLU HB3 H 2.081 0 . 276 226 31 GLU HG2 H 2.307 0 . 277 226 31 GLU HG3 H 2.382 0 . 278 226 31 GLU CA C 59.073 0 . 279 226 31 GLU CB C 29.394 0 . 280 226 31 GLU CG C 36.91 0 . 281 226 31 GLU N N 121.146 0 . 282 227 32 GLN H H 8.33 0.008 . 283 227 32 GLN HA H 4.128 0.005 . 284 227 32 GLN HB2 H 2.165 0 . 285 227 32 GLN HB3 H 2.21 0 . 286 227 32 GLN HG2 H 2.358 0.001 . 287 227 32 GLN HG3 H 2.358 0.001 . 288 227 32 GLN HE21 H 7.46 0 . 289 227 32 GLN HE22 H 6.939 0 . 290 227 32 GLN CA C 58.734 0 . 291 227 32 GLN CB C 28.094 0 . 292 227 32 GLN CG C 33.875 0 . 293 227 32 GLN N N 119.845 0 . 294 227 32 GLN NE2 N 111.315 0 . 295 228 33 ARG H H 8.179 0.001 . 296 228 33 ARG HA H 4.094 0 . 297 228 33 ARG HB2 H 2.008 0 . 298 228 33 ARG HB3 H 1.933 0 . 299 228 33 ARG HG2 H 1.638 0.001 . 300 228 33 ARG HG3 H 1.848 0.001 . 301 228 33 ARG HD2 H 3.238 0.001 . 302 228 33 ARG HD3 H 3.238 0.001 . 303 228 33 ARG CA C 59.023 0 . 304 228 33 ARG CB C 30.117 0 . 305 228 33 ARG CG C 27.515 0 . 306 228 33 ARG CD C 43.066 0 . 307 228 33 ARG N N 120.745 0 . 308 229 34 GLN H H 8.207 0 . 309 229 34 GLN HA H 4.087 0 . 310 229 34 GLN HB2 H 2.207 0 . 311 229 34 GLN HB3 H 2.207 0 . 312 229 34 GLN HG2 H 2.442 0 . 313 229 34 GLN HG3 H 2.583 0 . 314 229 34 GLN HE21 H 7.643 0 . 315 229 34 GLN HE22 H 6.835 0 . 316 229 34 GLN CA C 59.031 0 . 317 229 34 GLN CB C 27.949 0 . 318 229 34 GLN CG C 33.697 0 . 319 229 34 GLN N N 118.707 0 . 320 229 34 GLN NE2 N 111.823 0 . 321 230 35 ARG H H 7.988 0 . 322 230 35 ARG HA H 4.088 0 . 323 230 35 ARG HB2 H 1.937 0 . 324 230 35 ARG HB3 H 1.986 0.001 . 325 230 35 ARG HG2 H 1.639 0.001 . 326 230 35 ARG HG3 H 1.848 0 . 327 230 35 ARG HD2 H 3.237 0 . 328 230 35 ARG HD3 H 3.237 0 . 329 230 35 ARG CA C 58.931 0 . 330 230 35 ARG CB C 29.896 0 . 331 230 35 ARG CG C 27.18 0 . 332 230 35 ARG CD C 43.202 0 . 333 230 35 ARG N N 119.845 0 . 334 231 36 GLN H H 8.374 0.001 . 335 231 36 GLN HA H 4.137 0 . 336 231 36 GLN HB2 H 2.172 0.001 . 337 231 36 GLN HB3 H 2.336 0 . 338 231 36 GLN HG2 H 2.469 0.001 . 339 231 36 GLN HG3 H 2.61 0.001 . 340 231 36 GLN HE21 H 7.542 0 . 341 231 36 GLN HE22 H 6.837 0 . 342 231 36 GLN CA C 58.9 0 . 343 231 36 GLN CB C 28.27 0.002 . 344 231 36 GLN CG C 34.218 0 . 345 231 36 GLN N N 119.72 0 . 346 231 36 GLN NE2 N 111.315 0 . 347 232 37 GLU H H 8.411 0 . 348 232 37 GLU HA H 4.133 0 . 349 232 37 GLU HB2 H 2.125 0 . 350 232 37 GLU HB3 H 2.2 0 . 351 232 37 GLU HG2 H 2.443 0 . 352 232 37 GLU HG3 H 2.583 0.003 . 353 232 37 GLU CA C 59.011 0 . 354 232 37 GLU CB C 29.105 0 . 355 232 37 GLU CG C 33.857 0.004 . 356 232 37 GLU N N 121.571 0 . 357 233 38 GLU H H 8.174 0.002 . 358 233 38 GLU HA H 4.132 0 . 359 233 38 GLU HB2 H 2.127 0.001 . 360 233 38 GLU HB3 H 2.208 0 . 361 233 38 GLU HG2 H 2.297 0 . 362 233 38 GLU HG3 H 2.493 0 . 363 233 38 GLU CA C 58.91 0 . 364 233 38 GLU CB C 28.945 0 . 365 233 38 GLU CG C 36.443 0 . 366 233 38 GLU N N 120.813 0 . 367 234 39 GLU H H 8.268 0.001 . 368 234 39 GLU HA H 4.131 0.001 . 369 234 39 GLU HB2 H 2.128 0 . 370 234 39 GLU HB3 H 2.232 0.001 . 371 234 39 GLU HG2 H 2.315 0 . 372 234 39 GLU HG3 H 2.399 0 . 373 234 39 GLU CA C 59.011 0 . 374 234 39 GLU CB C 28.945 0 . 375 234 39 GLU CG C 36.06 0 . 376 234 39 GLU N N 120.177 0 . 377 235 40 ALA H H 8.063 0.001 . 378 235 40 ALA HA H 4.241 0 . 379 235 40 ALA HB H 1.546 0 . 380 235 40 ALA CA C 54.628 0 . 381 235 40 ALA CB C 17.965 0 . 382 235 40 ALA N N 122.381 0 . 383 236 41 ARG H H 8.078 0 . 384 236 41 ARG HA H 4.104 0 . 385 236 41 ARG HB2 H 1.943 0 . 386 236 41 ARG HB3 H 2.017 0 . 387 236 41 ARG HG2 H 1.64 0 . 388 236 41 ARG HG3 H 1.844 0 . 389 236 41 ARG HD2 H 3.235 0 . 390 236 41 ARG HD3 H 3.235 0 . 391 236 41 ARG CA C 59.212 0 . 392 236 41 ARG CB C 30.032 0 . 393 236 41 ARG CG C 27.452 0 . 394 236 41 ARG CD C 43.066 0 . 395 236 41 ARG N N 119.851 0 . 396 237 42 ARG H H 8.179 0 . 397 237 42 ARG HA H 4.099 0.002 . 398 237 42 ARG HB2 H 1.947 0 . 399 237 42 ARG HB3 H 1.947 0 . 400 237 42 ARG HG2 H 1.639 0.002 . 401 237 42 ARG HG3 H 1.849 0 . 402 237 42 ARG HD2 H 3.241 0 . 403 237 42 ARG HD3 H 3.241 0 . 404 237 42 ARG CA C 59.168 0 . 405 237 42 ARG CB C 29.973 0 . 406 237 42 ARG CG C 27.487 0.032 . 407 237 42 ARG CD C 43.202 0 . 408 237 42 ARG N N 120.612 0 . 409 238 43 ALA H H 8.202 0.001 . 410 238 43 ALA HA H 4.204 0 . 411 238 43 ALA HB H 1.492 0 . 412 238 43 ALA CA C 54.111 0 . 413 238 43 ALA CB C 18.086 0 . 414 238 43 ALA N N 122.715 0 . 415 239 44 ALA H H 7.939 0.001 . 416 239 44 ALA HA H 4.226 0 . 417 239 44 ALA HB H 1.497 0 . 418 239 44 ALA CA C 53.82 0 . 419 239 44 ALA CB C 18.229 0 . 420 239 44 ALA N N 121.27 0 . 421 240 45 ALA H H 7.899 0.001 . 422 240 45 ALA HA H 4.248 0 . 423 240 45 ALA HB H 1.507 0 . 424 240 45 ALA CA C 53.847 0 . 425 240 45 ALA CB C 18.103 0 . 426 240 45 ALA N N 121.611 0 . 427 241 46 ALA H H 7.982 0.001 . 428 241 46 ALA HA H 4.278 0 . 429 241 46 ALA HB H 1.488 0 . 430 241 46 ALA CA C 53.51 0 . 431 241 46 ALA CB C 18.575 0 . 432 241 46 ALA N N 121.849 0 . 433 242 47 SER H H 8.046 0 . 434 242 47 SER HA H 4.379 0.001 . 435 242 47 SER HB2 H 3.948 0.002 . 436 242 47 SER HB3 H 3.948 0.002 . 437 242 47 SER CA C 59.291 0 . 438 242 47 SER CB C 63.568 0 . 439 242 47 SER N N 114.118 0 . 440 243 48 ALA H H 8.033 0 . 441 243 48 ALA HA H 4.302 0 . 442 243 48 ALA HB H 1.448 0.003 . 443 243 48 ALA CA C 53.276 0 . 444 243 48 ALA CB C 18.988 0 . 445 243 48 ALA N N 125.101 0 . 446 244 49 ALA H H 8.009 0.001 . 447 244 49 ALA HA H 4.268 0 . 448 244 49 ALA HB H 1.442 0.001 . 449 244 49 ALA CA C 53.028 0 . 450 244 49 ALA CB C 18.774 0 . 451 244 49 ALA N N 121.87 0 . 452 245 50 GLU H H 8.092 0 . 453 245 50 GLU HA H 4.208 0.002 . 454 245 50 GLU HB2 H 2.004 0 . 455 245 50 GLU HB3 H 2.097 0 . 456 245 50 GLU HG2 H 2.273 0.001 . 457 245 50 GLU HG3 H 2.338 0 . 458 245 50 GLU CA C 56.805 0 . 459 245 50 GLU CB C 29.76 0 . 460 245 50 GLU CG C 36.341 0 . 461 245 50 GLU N N 119.273 0 . 462 246 51 ALA H H 8.084 0 . 463 246 51 ALA HA H 4.306 0 . 464 246 51 ALA HB H 1.45 0 . 465 246 51 ALA CA C 52.669 0 . 466 246 51 ALA CB C 19.177 0 . 467 246 51 ALA N N 123.67 0 . 468 247 52 GLY H H 8.199 0 . 469 247 52 GLY HA2 H 3.956 0 . 470 247 52 GLY HA3 H 3.916 0 . 471 247 52 GLY CA C 45.074 0 . 472 247 52 GLY N N 107.44 0 . 473 248 53 ILE H H 7.873 0.001 . 474 248 53 ILE HA H 4.179 0 . 475 248 53 ILE HB H 1.867 0 . 476 248 53 ILE HG12 H 1.167 0 . 477 248 53 ILE HG13 H 1.456 0 . 478 248 53 ILE HG2 H 0.909 0 . 479 248 53 ILE HD1 H 0.851 0 . 480 248 53 ILE CA C 60.816 0 . 481 248 53 ILE CB C 38.726 0 . 482 248 53 ILE CG1 C 27.045 0 . 483 248 53 ILE CG2 C 17.269 0 . 484 248 53 ILE CD1 C 13.006 0 . 485 248 53 ILE N N 119.832 0 . 486 249 54 ALA H H 8.389 0.001 . 487 249 54 ALA HA H 4.426 0 . 488 249 54 ALA HB H 1.404 0 . 489 249 54 ALA CA C 52.274 0 . 490 249 54 ALA CB C 19.192 0 . 491 249 54 ALA N N 128.078 0 . 492 250 55 THR H H 8.204 0.001 . 493 250 55 THR HA H 4.428 0.001 . 494 250 55 THR HB H 4.267 0 . 495 250 55 THR HG2 H 1.219 0 . 496 250 55 THR CA C 61.388 0 . 497 250 55 THR CB C 69.542 0 . 498 250 55 THR CG2 C 21.568 0 . 499 250 55 THR N N 113.757 0 . 500 251 56 THR H H 8.28 0.001 . 501 251 56 THR HA H 4.406 0 . 502 251 56 THR HB H 4.259 0 . 503 251 56 THR HG2 H 1.212 0 . 504 251 56 THR CA C 61.737 0 . 505 251 56 THR CB C 69.604 0 . 506 251 56 THR CG2 C 21.442 0 . 507 251 56 THR N N 115.905 0 . 508 252 57 GLY H H 8.556 0.001 . 509 252 57 GLY HA2 H 4.06 0 . 510 252 57 GLY HA3 H 4.06 0 . 511 252 57 GLY CA C 45.149 0 . 512 252 57 GLY N N 111.6 0 . 513 253 58 THR H H 8.108 0.001 . 514 253 58 THR HA H 4.395 0 . 515 253 58 THR HB H 4.271 0 . 516 253 58 THR HG2 H 1.174 0 . 517 253 58 THR CA C 61.541 0 . 518 253 58 THR CB C 69.677 0 . 519 253 58 THR CG2 C 21.443 0 . 520 253 58 THR N N 113.123 0 . 521 254 59 GLU H H 8.657 0 . 522 254 59 GLU HA H 4.294 0 . 523 254 59 GLU HB2 H 1.941 0 . 524 254 59 GLU HB3 H 2.069 0 . 525 254 59 GLU HG2 H 2.278 0.001 . 526 254 59 GLU HG3 H 2.278 0.001 . 527 254 59 GLU CA C 56.732 0 . 528 254 59 GLU CB C 29.973 0 . 529 254 59 GLU CG C 36.187 0 . 530 254 59 GLU N N 123.104 0 . 531 255 60 ASP H H 8.399 0.001 . 532 255 60 ASP HA H 4.625 0 . 533 255 60 ASP HB2 H 2.62 0.001 . 534 255 60 ASP HB3 H 2.706 0 . 535 255 60 ASP CA C 54.254 0 . 536 255 60 ASP CB C 40.957 0 . 537 255 60 ASP N N 121.399 0 . 538 256 61 SER H H 8.224 0.002 . 539 256 61 SER HA H 4.414 0 . 540 256 61 SER HB2 H 3.847 0.003 . 541 256 61 SER HB3 H 3.925 0 . 542 256 61 SER CA C 58.354 0 . 543 256 61 SER CB C 63.703 0 . 544 256 61 SER N N 116.185 0 . 545 257 62 ASP H H 8.441 0.002 . 546 257 62 ASP HA H 4.59 0.001 . 547 257 62 ASP HB2 H 2.663 0 . 548 257 62 ASP HB3 H 2.727 0 . 549 257 62 ASP CA C 54.942 0 . 550 257 62 ASP CB C 40.813 0 . 551 257 62 ASP N N 122.783 0 . 552 258 63 ASP H H 8.26 0.001 . 553 258 63 ASP HA H 4.484 0.001 . 554 258 63 ASP HB2 H 2.677 0.002 . 555 258 63 ASP HB3 H 2.677 0.002 . 556 258 63 ASP CA C 55.08 0 . 557 258 63 ASP CB C 40.893 0 . 558 258 63 ASP N N 121.229 0 . 559 259 64 ALA H H 8.18 0.001 . 560 259 64 ALA HA H 4.117 0 . 561 259 64 ALA HB H 1.436 0 . 562 259 64 ALA CA C 53.928 0 . 563 259 64 ALA CB C 18.513 0 . 564 259 64 ALA N N 123.602 0 . 565 260 65 LEU H H 8.012 0 . 566 260 65 LEU HA H 4.219 0.001 . 567 260 65 LEU HB2 H 1.615 0 . 568 260 65 LEU HB3 H 1.725 0 . 569 260 65 LEU HD1 H 0.878 0.001 . 570 260 65 LEU HD2 H 0.919 0 . 571 260 65 LEU CA C 56.422 0 . 572 260 65 LEU CB C 41.708 0 . 573 260 65 LEU CD1 C 25.071 0 . 574 260 65 LEU CD2 C 25.058 0 . 575 260 65 LEU N N 118.809 0 . 576 261 66 LEU H H 7.88 0.001 . 577 261 66 LEU HA H 4.222 0 . 578 261 66 LEU HB2 H 1.635 0.001 . 579 261 66 LEU HB3 H 1.715 0.002 . 580 261 66 LEU HD1 H 0.869 0.001 . 581 261 66 LEU HD2 H 0.924 0.003 . 582 261 66 LEU CA C 56.1 0 . 583 261 66 LEU CB C 41.708 0 . 584 261 66 LEU CD1 C 23.728 0 . 585 261 66 LEU CD2 C 24.48 0 . 586 261 66 LEU N N 121.038 0 . 587 262 67 LYS H H 7.966 0.001 . 588 262 67 LYS HA H 4.201 0.002 . 589 262 67 LYS HB2 H 1.804 0 . 590 262 67 LYS HB3 H 1.861 0 . 591 262 67 LYS HG2 H 1.408 0 . 592 262 67 LYS HG3 H 1.491 0 . 593 262 67 LYS HD2 H 1.656 0 . 594 262 67 LYS HD3 H 1.656 0 . 595 262 67 LYS HE2 H 2.957 0 . 596 262 67 LYS HE3 H 2.957 0 . 597 262 67 LYS CA C 56.915 0 . 598 262 67 LYS CB C 32.584 0.001 . 599 262 67 LYS CG C 25.03 0 . 600 262 67 LYS CD C 28.872 0 . 601 262 67 LYS CE C 41.844 0 . 602 262 67 LYS N N 119.779 0 . 603 263 68 MET H H 8.053 0.001 . 604 263 68 MET HA H 4.459 0.001 . 605 263 68 MET HB2 H 2.101 0 . 606 263 68 MET HB3 H 2.128 0 . 607 263 68 MET HG2 H 2.551 0 . 608 263 68 MET HG3 H 2.638 0 . 609 263 68 MET HE H 2.072 0 . 610 263 68 MET CA C 56.096 0 . 611 263 68 MET CB C 32.793 0 . 612 263 68 MET CG C 31.851 0 . 613 263 68 MET CE C 16.837 0 . 614 263 68 MET N N 119.954 0 . 615 264 69 THR H H 8.144 0.001 . 616 264 69 THR HA H 4.279 0 . 617 264 69 THR HB H 4.259 0 . 618 264 69 THR HG2 H 1.207 0.001 . 619 264 69 THR CA C 62.625 0 . 620 264 69 THR CB C 69.677 0 . 621 264 69 THR CG2 C 21.45 0 . 622 264 69 THR N N 115.564 0 . 623 265 70 ILE H H 8.152 0 . 624 265 70 ILE HA H 4.125 0 . 625 265 70 ILE HB H 1.889 0 . 626 265 70 ILE HG12 H 1.205 0 . 627 265 70 ILE HG13 H 1.503 0 . 628 265 70 ILE HG2 H 0.906 0 . 629 265 70 ILE HD1 H 0.838 0 . 630 265 70 ILE CA C 61.788 0 . 631 265 70 ILE CB C 38.334 0 . 632 265 70 ILE CG1 C 27.452 0 . 633 265 70 ILE CG2 C 17.398 0 . 634 265 70 ILE CD1 C 12.918 0 . 635 265 70 ILE N N 122.749 0 . 636 266 71 SER H H 8.288 0 . 637 266 71 SER HA H 4.426 0 . 638 266 71 SER HB2 H 3.877 0.001 . 639 266 71 SER HB3 H 3.877 0.001 . 640 266 71 SER CA C 58.594 0 . 641 266 71 SER CB C 63.568 0 . 642 266 71 SER N N 118.776 0 . 643 267 72 GLN H H 8.307 0 . 644 267 72 GLN HA H 4.28 0 . 645 267 72 GLN HB2 H 2.034 0 . 646 267 72 GLN HB3 H 2.13 0 . 647 267 72 GLN HG2 H 2.385 0.001 . 648 267 72 GLN HG3 H 2.385 0.001 . 649 267 72 GLN HE21 H 7.519 0 . 650 267 72 GLN HE22 H 6.838 0 . 651 267 72 GLN CA C 56.422 0 . 652 267 72 GLN CB C 28.945 0 . 653 267 72 GLN CG C 33.969 0 . 654 267 72 GLN N N 121.876 0 . 655 267 72 GLN NE2 N 112.127 0 . 656 268 73 GLN H H 8.249 0.002 . 657 268 73 GLN HA H 4.226 0 . 658 268 73 GLN HB2 H 1.969 0.001 . 659 268 73 GLN HB3 H 2.024 0.001 . 660 268 73 GLN HG2 H 2.315 0.002 . 661 268 73 GLN HG3 H 2.315 0.002 . 662 268 73 GLN HE21 H 7.475 0 . 663 268 73 GLN HE22 H 6.839 0 . 664 268 73 GLN CA C 56.232 0 . 665 268 73 GLN CB C 29.217 0 . 666 268 73 GLN CG C 33.697 0 . 667 268 73 GLN N N 120.67 0 . 668 268 73 GLN NE2 N 112.127 0 . 669 269 74 GLU H H 8.29 0.001 . 670 269 74 GLU HA H 4.207 0 . 671 269 74 GLU HB2 H 1.875 0.001 . 672 269 74 GLU HB3 H 1.912 0.001 . 673 269 74 GLU HG2 H 2.053 0 . 674 269 74 GLU HG3 H 2.089 0 . 675 269 74 GLU CA C 56.591 0 . 676 269 74 GLU CB C 30.303 0 . 677 269 74 GLU CG C 36.043 0 . 678 269 74 GLU N N 121.286 0 . 679 270 75 PHE H H 8.243 0.001 . 680 270 75 PHE HA H 4.567 0 . 681 270 75 PHE HB2 H 3.03 0.001 . 682 270 75 PHE HB3 H 3.169 0 . 683 270 75 PHE HD1 H 7.244 0 . 684 270 75 PHE HD2 H 7.244 0 . 685 270 75 PHE HE1 H 7.314 0 . 686 270 75 PHE HE2 H 7.314 0 . 687 270 75 PHE CA C 58.001 0 . 688 270 75 PHE CB C 39.422 0.002 . 689 270 75 PHE N N 120.962 0 . 690 271 76 GLY H H 8.342 0.001 . 691 271 76 GLY HA2 H 3.918 0 . 692 271 76 GLY HA3 H 3.891 0 . 693 271 76 GLY CA C 45.271 0 . 694 271 76 GLY N N 109.983 0 . 695 272 77 ARG H H 8.096 0 . 696 272 77 ARG HA H 4.408 0.002 . 697 272 77 ARG HB2 H 1.792 0.001 . 698 272 77 ARG HB3 H 1.914 0 . 699 272 77 ARG HG2 H 1.602 0.002 . 700 272 77 ARG HG3 H 1.656 0.002 . 701 272 77 ARG HD2 H 3.19 0.002 . 702 272 77 ARG HD3 H 3.19 0.002 . 703 272 77 ARG CA C 56.061 0 . 704 272 77 ARG CB C 30.551 0 . 705 272 77 ARG CG C 26.909 0 . 706 272 77 ARG CD C 43.202 0 . 707 272 77 ARG N N 120.24 0 . 708 273 78 THR H H 8.195 0 . 709 273 78 THR HA H 4.346 0 . 710 273 78 THR HB H 4.232 0.003 . 711 273 78 THR HG2 H 1.205 0 . 712 273 78 THR CA C 61.912 0 . 713 273 78 THR CB C 69.677 0 . 714 273 78 THR CG2 C 21.3 0 . 715 273 78 THR N N 114.146 0 . 716 274 79 GLY H H 8.368 0 . 717 274 79 GLY HA2 H 3.958 0 . 718 274 79 GLY HA3 H 3.928 0 . 719 274 79 GLY CA C 45.004 0 . 720 274 79 GLY N N 111.061 0 . 721 275 80 LEU H H 8.08 0.001 . 722 275 80 LEU HA H 4.598 0.001 . 723 275 80 LEU HB2 H 1.549 0.002 . 724 275 80 LEU HB3 H 1.58 0.003 . 725 275 80 LEU HG H 1.637 0.003 . 726 275 80 LEU HD1 H 0.907 0.001 . 727 275 80 LEU HD2 H 0.919 0.001 . 728 275 80 LEU CA C 52.833 0 . 729 275 80 LEU CB C 41.708 0 . 730 275 80 LEU CG C 26.909 0 . 731 275 80 LEU CD1 C 23.324 0 . 732 275 80 LEU CD2 C 25.347 0 . 733 275 80 LEU N N 122.756 0 . 734 276 81 PRO HA H 4.354 0.002 . 735 276 81 PRO HB2 H 1.703 0.001 . 736 276 81 PRO HB3 H 2.114 0 . 737 276 81 PRO HG2 H 1.841 0 . 738 276 81 PRO HG3 H 1.841 0 . 739 276 81 PRO HD2 H 3.551 0 . 740 276 81 PRO HD3 H 3.753 0 . 741 276 81 PRO CA C 62.753 0 . 742 276 81 PRO CB C 31.97 0 . 743 276 81 PRO CG C 27.045 0 . 744 276 81 PRO CD C 50.255 0 . 745 277 82 ASP H H 8.332 0 . 746 277 82 ASP HA H 4.588 0.002 . 747 277 82 ASP HB2 H 2.588 0.001 . 748 277 82 ASP HB3 H 2.743 0.003 . 749 277 82 ASP CA C 53.385 0 . 750 277 82 ASP CB C 40.524 0 . 751 277 82 ASP N N 119.632 0 . 752 278 83 LEU H H 8.354 0 . 753 278 83 LEU HA H 4.186 0.001 . 754 278 83 LEU HB2 H 1.581 0.001 . 755 278 83 LEU HB3 H 1.624 0.002 . 756 278 83 LEU HG H 1.597 0 . 757 278 83 LEU HD1 H 0.698 0.002 . 758 278 83 LEU HD2 H 0.853 0 . 759 278 83 LEU CA C 56.232 0 . 760 278 83 LEU CB C 41.708 0 . 761 278 83 LEU CG C 27.18 0 . 762 278 83 LEU CD1 C 23.179 0 . 763 278 83 LEU CD2 C 25.09 0 . 764 278 83 LEU N N 125.519 0 . 765 279 84 SER H H 8.272 0.001 . 766 279 84 SER HA H 4.243 0 . 767 279 84 SER HB2 H 3.888 0 . 768 279 84 SER HB3 H 3.931 0 . 769 279 84 SER CA C 60.258 0 . 770 279 84 SER CB C 63.16 0 . 771 279 84 SER N N 114.037 0 . 772 280 85 SER H H 7.851 0.001 . 773 280 85 SER HA H 4.533 0.001 . 774 280 85 SER HB2 H 3.845 0.002 . 775 280 85 SER HB3 H 3.89 0.001 . 776 280 85 SER CA C 58.127 0 . 777 280 85 SER CB C 63.703 0 . 778 280 85 SER N N 116.171 0 . 779 281 86 MET H H 7.666 0.001 . 780 281 86 MET HA H 4.61 0.004 . 781 281 86 MET HB2 H 2.008 0.002 . 782 281 86 MET HB3 H 2.172 0 . 783 281 86 MET HG2 H 2.447 0.004 . 784 281 86 MET HG3 H 2.614 0.002 . 785 281 86 MET HE H 1.747 0.001 . 786 281 86 MET CA C 56.122 0 . 787 281 86 MET CB C 35.609 0 . 788 281 86 MET CG C 32.664 0 . 789 281 86 MET CE C 17.204 0 . 790 281 86 MET N N 122 0 . 791 282 87 THR H H 8.907 0 . 792 282 87 THR HA H 4.374 0 . 793 282 87 THR HB H 4.72 0.002 . 794 282 87 THR HG2 H 1.364 0.002 . 795 282 87 THR CA C 61.275 0 . 796 282 87 THR CB C 70.883 0 . 797 282 87 THR CG2 C 21.734 0 . 798 282 87 THR N N 114.767 0 . 799 283 88 GLU H H 9.061 0.002 . 800 283 88 GLU HA H 3.908 0.002 . 801 283 88 GLU HB2 H 1.978 0.002 . 802 283 88 GLU HB3 H 2.149 0 . 803 283 88 GLU HG2 H 2.197 0.002 . 804 283 88 GLU HG3 H 2.237 0.001 . 805 283 88 GLU CA C 60.324 0 . 806 283 88 GLU CB C 29.539 0 . 807 283 88 GLU CG C 36.332 0 . 808 283 88 GLU N N 122.587 0 . 809 284 89 GLU H H 8.718 0.001 . 810 284 89 GLU HA H 3.95 0.003 . 811 284 89 GLU HB2 H 1.96 0.003 . 812 284 89 GLU HB3 H 2.043 0.002 . 813 284 89 GLU HG2 H 2.327 0.002 . 814 284 89 GLU HG3 H 2.353 0.001 . 815 284 89 GLU CA C 60.076 0 . 816 284 89 GLU CB C 28.945 0 . 817 284 89 GLU CG C 36.807 0 . 818 284 89 GLU N N 117.306 0 . 819 285 90 GLU H H 7.796 0.001 . 820 285 90 GLU HA H 4.047 0.001 . 821 285 90 GLU HB2 H 2.003 0 . 822 285 90 GLU HB3 H 2.362 0 . 823 285 90 GLU HG2 H 2.282 0.001 . 824 285 90 GLU HG3 H 2.368 0.001 . 825 285 90 GLU CA C 58.879 0 . 826 285 90 GLU CB C 29.973 0 . 827 285 90 GLU CG C 37.344 0 . 828 285 90 GLU N N 120.759 0 . 829 286 91 GLN H H 8.717 0 . 830 286 91 GLN HA H 4.046 0.003 . 831 286 91 GLN HB2 H 2.194 0 . 832 286 91 GLN HB3 H 2.276 0 . 833 286 91 GLN HG2 H 2.231 0.002 . 834 286 91 GLN HG3 H 2.576 0.001 . 835 286 91 GLN HE21 H 6.951 0 . 836 286 91 GLN HE22 H 6.893 0 . 837 286 91 GLN CA C 59.746 0 . 838 286 91 GLN CB C 28.961 0 . 839 286 91 GLN CG C 35.176 0 . 840 286 91 GLN N N 120.854 0 . 841 286 91 GLN NE2 N 111.315 0 . 842 287 92 ILE H H 8.303 0.001 . 843 287 92 ILE HA H 3.654 0.002 . 844 287 92 ILE HB H 1.903 0.001 . 845 287 92 ILE HG12 H 0.979 0.002 . 846 287 92 ILE HG13 H 1.851 0 . 847 287 92 ILE HG2 H 0.903 0.001 . 848 287 92 ILE HD1 H 0.852 0.001 . 849 287 92 ILE CA C 65.152 0 . 850 287 92 ILE CB C 38.216 0 . 851 287 92 ILE CG1 C 29.683 0 . 852 287 92 ILE CG2 C 16.997 0 . 853 287 92 ILE CD1 C 13.342 0 . 854 287 92 ILE N N 121.577 0 . 855 288 93 ALA H H 7.952 0.001 . 856 288 93 ALA HA H 4.093 0 . 857 288 93 ALA HB H 1.487 0.001 . 858 288 93 ALA CA C 55.121 0 . 859 288 93 ALA CB C 17.687 0 . 860 288 93 ALA N N 122.485 0 . 861 289 94 TYR H H 8.33 0.001 . 862 289 94 TYR HA H 4.183 0 . 863 289 94 TYR HB2 H 3.055 0.002 . 864 289 94 TYR HB3 H 3.106 0.001 . 865 289 94 TYR HD1 H 7.109 0 . 866 289 94 TYR HD2 H 7.109 0 . 867 289 94 TYR HE1 H 6.761 0 . 868 289 94 TYR HE2 H 6.761 0 . 869 289 94 TYR CA C 60.852 0 . 870 289 94 TYR CB C 38.335 0 . 871 289 94 TYR N N 119.946 0 . 872 290 95 ALA H H 8.035 0 . 873 290 95 ALA HA H 3.787 0 . 874 290 95 ALA HB H 1.453 0 . 875 290 95 ALA CA C 54.831 0 . 876 290 95 ALA CB C 18.483 0 . 877 290 95 ALA N N 121.977 0 . 878 291 96 MET H H 8.521 0 . 879 291 96 MET HA H 4.1 0.001 . 880 291 96 MET HB2 H 2.214 0 . 881 291 96 MET HB3 H 2.315 0 . 882 291 96 MET HG2 H 2.638 0.001 . 883 291 96 MET HG3 H 2.638 0.001 . 884 291 96 MET HE H 1.987 0 . 885 291 96 MET CA C 58.849 0 . 886 291 96 MET CB C 32.43 0 . 887 291 96 MET CG C 32.646 0 . 888 291 96 MET CE C 17.217 0 . 889 291 96 MET N N 117.103 0 . 890 292 97 GLN H H 7.862 0.001 . 891 292 97 GLN HA H 3.944 0.001 . 892 292 97 GLN HB2 H 2.022 0.003 . 893 292 97 GLN HB3 H 2.093 0.002 . 894 292 97 GLN HG2 H 2.258 0 . 895 292 97 GLN HG3 H 2.373 0.003 . 896 292 97 GLN HE21 H 7.283 0 . 897 292 97 GLN HE22 H 6.773 0 . 898 292 97 GLN CA C 58.454 0 . 899 292 97 GLN CB C 28.094 0 . 900 292 97 GLN CG C 33.586 0 . 901 292 97 GLN N N 119.54 0 . 902 292 97 GLN NE2 N 111.213 0 . 903 293 98 MET H H 8.23 0 . 904 293 98 MET HA H 4.135 0 . 905 293 98 MET HB2 H 1.67 0.002 . 906 293 98 MET HB3 H 1.67 0.002 . 907 293 98 MET HG2 H 1.977 0 . 908 293 98 MET HG3 H 2.223 0.001 . 909 293 98 MET HE H 1.873 0 . 910 293 98 MET CA C 56.711 0 . 911 293 98 MET CB C 31.77 0 . 912 293 98 MET CG C 31.996 0 . 913 293 98 MET CE C 17.254 0 . 914 293 98 MET N N 118.728 0 . 915 294 99 SER H H 7.964 0.001 . 916 294 99 SER HA H 4.141 0.002 . 917 294 99 SER HB2 H 3.932 0 . 918 294 99 SER HB3 H 3.932 0 . 919 294 99 SER CA C 59.581 0 . 920 294 99 SER CB C 62.945 0 . 921 294 99 SER N N 115.073 0 . 922 295 100 LEU H H 7.35 0 . 923 295 100 LEU HA H 4.258 0 . 924 295 100 LEU HB2 H 1.552 0.001 . 925 295 100 LEU HB3 H 1.668 0.003 . 926 295 100 LEU HD1 H 0.692 0 . 927 295 100 LEU HD2 H 0.817 0 . 928 295 100 LEU CA C 55.41 0 . 929 295 100 LEU CB C 42.547 0 . 930 295 100 LEU CD1 C 22.601 0 . 931 295 100 LEU CD2 C 25.058 0 . 932 295 100 LEU N N 122.987 0 . 933 296 101 GLN H H 7.695 0.001 . 934 296 101 GLN HA H 4.257 0 . 935 296 101 GLN HB2 H 2.029 0.003 . 936 296 101 GLN HB3 H 2.131 0.002 . 937 296 101 GLN HG2 H 2.367 0.001 . 938 296 101 GLN HG3 H 2.367 0.001 . 939 296 101 GLN HE21 H 7.42 0 . 940 296 101 GLN HE22 H 6.79 0 . 941 296 101 GLN CA C 56.205 0 . 942 296 101 GLN CB C 29.217 0 . 943 296 101 GLN CG C 33.697 0 . 944 296 101 GLN N N 119.337 0 . 945 296 101 GLN NE2 N 111.924 0 . 946 297 102 GLY H H 8.37 0 . 947 297 102 GLY HA2 H 3.984 0 . 948 297 102 GLY HA3 H 3.984 0 . 949 297 102 GLY CA C 45.148 0 . 950 297 102 GLY N N 109.793 0 . 951 298 103 ALA H H 8.085 0 . 952 298 103 ALA HA H 4.296 0 . 953 298 103 ALA HB H 1.36 0 . 954 298 103 ALA CA C 52.547 0 . 955 298 103 ALA CB C 19.138 0 . 956 298 103 ALA N N 123.595 0 . 957 299 104 GLU H H 8.49 0 . 958 299 104 GLU HA H 4.198 0.002 . 959 299 104 GLU HB2 H 1.853 0.001 . 960 299 104 GLU HB3 H 1.917 0.001 . 961 299 104 GLU HG2 H 2.052 0.001 . 962 299 104 GLU HG3 H 2.173 0 . 963 299 104 GLU CA C 56.605 0 . 964 299 104 GLU CB C 29.624 0 . 965 299 104 GLU CG C 36.084 0 . 966 299 104 GLU N N 119.437 0 . 967 300 105 PHE H H 8.141 0.001 . 968 300 105 PHE HA H 4.622 0 . 969 300 105 PHE HB2 H 3.016 0.002 . 970 300 105 PHE HB3 H 3.193 0 . 971 300 105 PHE HD1 H 7.244 0 . 972 300 105 PHE HD2 H 7.244 0 . 973 300 105 PHE HE1 H 7.31 0 . 974 300 105 PHE HE2 H 7.31 0 . 975 300 105 PHE CA C 57.753 0 . 976 300 105 PHE CB C 39.427 0.003 . 977 300 105 PHE N N 120.547 0 . 978 301 106 GLY H H 8.286 0.001 . 979 301 106 GLY HA2 H 3.897 0 . 980 301 106 GLY HA3 H 3.897 0 . 981 301 106 GLY CA C 45.133 0 . 982 301 106 GLY N N 110.427 0 . 983 302 107 GLN H H 8.162 0.001 . 984 302 107 GLN HA H 4.346 0 . 985 302 107 GLN HB2 H 1.971 0 . 986 302 107 GLN HB3 H 2.12 0.001 . 987 302 107 GLN HG2 H 2.348 0 . 988 302 107 GLN HG3 H 2.348 0 . 989 302 107 GLN HE21 H 7.559 0 . 990 302 107 GLN HE22 H 6.84 0 . 991 302 107 GLN CA C 55.421 0 . 992 302 107 GLN CB C 29.353 0 . 993 302 107 GLN CG C 33.562 0 . 994 302 107 GLN N N 119.839 0 . 995 302 107 GLN NE2 N 112.432 0 . 996 303 108 ALA H H 8.395 0 . 997 303 108 ALA HA H 4.314 0.002 . 998 303 108 ALA HB H 1.392 0.002 . 999 303 108 ALA CA C 52.348 0 . 1000 303 108 ALA CB C 19.152 0 . 1001 303 108 ALA N N 125.512 0 . 1002 304 109 GLU H H 8.451 0 . 1003 304 109 GLU HA H 4.294 0 . 1004 304 109 GLU HB2 H 1.953 0.001 . 1005 304 109 GLU HB3 H 2.078 0.001 . 1006 304 109 GLU HG2 H 2.276 0.003 . 1007 304 109 GLU HG3 H 2.276 0.003 . 1008 304 109 GLU CA C 56.368 0 . 1009 304 109 GLU CB C 29.896 0 . 1010 304 109 GLU CG C 36.043 0 . 1011 304 109 GLU N N 120.344 0 . 1012 305 110 SER H H 8.305 0.001 . 1013 305 110 SER HA H 4.452 0 . 1014 305 110 SER HB2 H 3.823 0.001 . 1015 305 110 SER HB3 H 3.867 0 . 1016 305 110 SER CA C 58.156 0 . 1017 305 110 SER CB C 63.839 0 . 1018 305 110 SER N N 117.098 0 . 1019 306 111 ALA H H 8.004 0 . 1020 306 111 ALA HA H 4.141 0.001 . 1021 306 111 ALA HB H 1.332 0 . 1022 306 111 ALA CA C 53.748 0 . 1023 306 111 ALA CB C 20.062 0 . 1024 306 111 ALA N N 131.739 0 . stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aliphatic' '3D 1H-13C half-filter NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_5 $sample_4 $sample_3 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_2, 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 26 1 ALA H H 8.407 0 . 2 26 1 ALA HA H 4.628 0 . 3 26 1 ALA HB H 1.361 0 . 4 26 1 ALA CA C 50.428 0 . 5 26 1 ALA CB C 18.032 0 . 6 26 1 ALA N N 127.275 0 . 7 27 2 PRO HA H 4.384 0 . 8 27 2 PRO HB2 H 2.284 0 . 9 27 2 PRO HB3 H 1.896 0 . 10 27 2 PRO HG2 H 2.001 0 . 11 27 2 PRO HG3 H 2.001 0 . 12 27 2 PRO HD2 H 3.786 0 . 13 27 2 PRO HD3 H 3.62 0 . 14 27 2 PRO CA C 62.794 0 . 15 27 2 PRO CB C 31.982 0 . 16 27 2 PRO CG C 27.225 0 . 17 27 2 PRO CD C 50.498 0 . 18 28 3 ALA H H 8.349 0 . 19 28 3 ALA HA H 4.29 0 . 20 28 3 ALA HB H 1.354 0 . 21 28 3 ALA CA C 51.997 0 . 22 28 3 ALA CB C 18.933 0 . 23 28 3 ALA N N 124.423 0 . 24 29 4 GLU H H 8.299 0 . 25 29 4 GLU HA H 4.556 0 . 26 29 4 GLU HB2 H 2.028 0 . 27 29 4 GLU HB3 H 1.859 0 . 28 29 4 GLU HG2 H 2.27 0 . 29 29 4 GLU HG3 H 2.27 0 . 30 29 4 GLU CA C 54.083 0 . 31 29 4 GLU CB C 29.647 0 . 32 29 4 GLU CG C 35.854 0 . 33 29 4 GLU N N 121.839 0 . 34 30 5 PRO HA H 4.449 0 . 35 30 5 PRO HB2 H 2.24 0 . 36 30 5 PRO HB3 H 1.811 0 . 37 30 5 PRO HG2 H 2.026 0 . 38 30 5 PRO HG3 H 2.026 0 . 39 30 5 PRO HD2 H 3.755 0 . 40 30 5 PRO HD3 H 3.713 0 . 41 30 5 PRO CA C 62.557 0 . 42 30 5 PRO CB C 32.194 0 . 43 30 5 PRO CG C 27.487 0 . 44 30 5 PRO CD C 50.236 0 . 45 31 6 LYS H H 8.666 0 . 46 31 6 LYS HA H 4.216 0 . 47 31 6 LYS HB2 H 1.656 0 . 48 31 6 LYS HB3 H 1.656 0 . 49 31 6 LYS HG2 H 1.436 0 . 50 31 6 LYS HG3 H 1.365 0 . 51 31 6 LYS HD2 H 1.667 0.002 . 52 31 6 LYS HD3 H 1.667 0.002 . 53 31 6 LYS HE2 H 2.961 0.001 . 54 31 6 LYS HE3 H 2.961 0.001 . 55 31 6 LYS CA C 55.833 0 . 56 31 6 LYS CB C 33.037 0 . 57 31 6 LYS CG C 24.872 0 . 58 31 6 LYS CD C 28.794 0 . 59 31 6 LYS CE C 41.607 0 . 60 31 6 LYS N N 123.291 0 . 61 32 7 ILE H H 8.395 0 . 62 32 7 ILE HA H 4.253 0 . 63 32 7 ILE HB H 1.833 0 . 64 32 7 ILE HG12 H 1.403 0.001 . 65 32 7 ILE HG13 H 1.338 0.002 . 66 32 7 ILE HG2 H 0.676 0 . 67 32 7 ILE HD1 H 0.631 0 . 68 32 7 ILE CA C 59.092 0 . 69 32 7 ILE CB C 36.678 0 . 70 32 7 ILE CG1 C 26.728 0 . 71 32 7 ILE CG2 C 17.899 0 . 72 32 7 ILE CD1 C 9.955 0 . 73 32 7 ILE N N 125.046 0 . 74 33 8 ILE H H 8.982 0 . 75 33 8 ILE HA H 4.649 0 . 76 33 8 ILE HB H 1.588 0 . 77 33 8 ILE HG12 H 1.301 0.002 . 78 33 8 ILE HG13 H 0.877 0 . 79 33 8 ILE HG2 H 0.927 0 . 80 33 8 ILE HD1 H 0.591 0 . 81 33 8 ILE CA C 59.267 0 . 82 33 8 ILE CB C 41.876 0 . 83 33 8 ILE CG1 C 25.061 0 . 84 33 8 ILE CG2 C 18.933 0 . 85 33 8 ILE CD1 C 14.658 0 . 86 33 8 ILE N N 122.993 0 . 87 34 9 LYS H H 8.979 0 . 88 34 9 LYS HA H 5.382 0 . 89 34 9 LYS HB2 H 1.772 0 . 90 34 9 LYS HB3 H 1.589 0 . 91 34 9 LYS HG2 H 1.422 0 . 92 34 9 LYS HG3 H 1.228 0 . 93 34 9 LYS HD2 H 1.605 0 . 94 34 9 LYS HD3 H 1.605 0 . 95 34 9 LYS HE2 H 2.897 0 . 96 34 9 LYS HE3 H 2.897 0 . 97 34 9 LYS CA C 54.42 0 . 98 34 9 LYS CB C 32.786 0 . 99 34 9 LYS CG C 24.61 0 . 100 34 9 LYS CD C 28.794 0 . 101 34 9 LYS CE C 41.346 0 . 102 34 9 LYS N N 121.06 0 . 103 35 10 VAL H H 9.052 0 . 104 35 10 VAL HA H 4.583 0 . 105 35 10 VAL HB H 1.804 0 . 106 35 10 VAL HG1 H 0.559 0 . 107 35 10 VAL HG2 H 0.793 0 . 108 35 10 VAL CA C 60.826 0 . 109 35 10 VAL CB C 35.854 0 . 110 35 10 VAL CG1 C 21.212 0 . 111 35 10 VAL CG2 C 22.208 0 . 112 35 10 VAL N N 124.817 0 . 113 36 11 THR H H 8.624 0 . 114 36 11 THR HA H 4.997 0 . 115 36 11 THR HB H 4.156 0.001 . 116 36 11 THR HG2 H 1.091 0 . 117 36 11 THR CA C 62.754 0 . 118 36 11 THR CB C 69.275 0 . 119 36 11 THR CG2 C 22.068 0 . 120 36 11 THR N N 124.718 0 . 121 37 12 VAL H H 9.663 0 . 122 37 12 VAL HA H 4.999 0 . 123 37 12 VAL HB H 2.259 0 . 124 37 12 VAL HG1 H 0.875 0.001 . 125 37 12 VAL HG2 H 0.671 0 . 126 37 12 VAL CA C 60.623 0 . 127 37 12 VAL CB C 33.665 0 . 128 37 12 VAL CG1 C 23.351 0 . 129 37 12 VAL CG2 C 23.636 0 . 130 37 12 VAL N N 128.045 0 . 131 38 13 LYS H H 8.453 0 . 132 38 13 LYS HA H 5.298 0.001 . 133 38 13 LYS HB2 H 1.592 0.001 . 134 38 13 LYS HB3 H 1.32 0.002 . 135 38 13 LYS HG2 H 1.428 0.002 . 136 38 13 LYS HG3 H 1.428 0.002 . 137 38 13 LYS HD2 H 1.592 0 . 138 38 13 LYS HD3 H 1.592 0 . 139 38 13 LYS HE2 H 2.933 0.001 . 140 38 13 LYS HE3 H 2.933 0.001 . 141 38 13 LYS CA C 54.697 0 . 142 38 13 LYS CB C 37.008 0 . 143 38 13 LYS CG C 25.395 0 . 144 38 13 LYS CD C 30.048 0 . 145 38 13 LYS CE C 41.869 0 . 146 38 13 LYS N N 127.039 0 . 147 39 14 THR H H 9.024 0.001 . 148 39 14 THR HA H 5.41 0 . 149 39 14 THR HB H 4.822 0 . 150 39 14 THR HG2 H 1.01 0 . 151 39 14 THR CA C 59.238 0 . 152 39 14 THR CB C 68.209 0 . 153 39 14 THR CG2 C 22.353 0 . 154 39 14 THR N N 119.406 0 . 155 40 15 PRO HA H 4.45 0 . 156 40 15 PRO HB2 H 2.508 0 . 157 40 15 PRO HB3 H 1.81 0 . 158 40 15 PRO HG2 H 2.044 0 . 159 40 15 PRO HG3 H 2.044 0 . 160 40 15 PRO HD2 H 4.279 0 . 161 40 15 PRO HD3 H 3.788 0 . 162 40 15 PRO CA C 65.403 0 . 163 40 15 PRO CB C 31.991 0 . 164 40 15 PRO CG C 28.533 0 . 165 40 15 PRO CD C 50.802 0 . 166 41 16 LYS H H 7.843 0 . 167 41 16 LYS HA H 4.564 0.001 . 168 41 16 LYS HB2 H 1.913 0 . 169 41 16 LYS HB3 H 1.787 0 . 170 41 16 LYS HG2 H 1.44 0.001 . 171 41 16 LYS HG3 H 1.357 0.001 . 172 41 16 LYS HD2 H 1.699 0 . 173 41 16 LYS HD3 H 1.699 0 . 174 41 16 LYS HE2 H 2.997 0.003 . 175 41 16 LYS HE3 H 2.997 0.003 . 176 41 16 LYS CA C 55.89 0 . 177 41 16 LYS CB C 35.551 0 . 178 41 16 LYS CG C 24.61 0 . 179 41 16 LYS CD C 28.794 0 . 180 41 16 LYS CE C 41.607 0 . 181 41 16 LYS N N 111.541 0 . 182 42 17 GLU H H 8.014 0 . 183 42 17 GLU HA H 4.808 0 . 184 42 17 GLU HB2 H 2.163 0 . 185 42 17 GLU HB3 H 2.163 0 . 186 42 17 GLU HG2 H 2.222 0 . 187 42 17 GLU HG3 H 2.155 0 . 188 42 17 GLU CA C 55.489 0 . 189 42 17 GLU CB C 33.728 0 . 190 42 17 GLU CG C 35.883 0 . 191 42 17 GLU N N 118.212 0 . 192 43 18 LYS H H 8.523 0 . 193 43 18 LYS HA H 5.433 0 . 194 43 18 LYS HB2 H 1.8 0.001 . 195 43 18 LYS HB3 H 1.672 0 . 196 43 18 LYS HG2 H 1.296 0 . 197 43 18 LYS HG3 H 1.296 0 . 198 43 18 LYS HD2 H 1.606 0 . 199 43 18 LYS HD3 H 1.606 0 . 200 43 18 LYS HE2 H 2.923 0.002 . 201 43 18 LYS HE3 H 2.923 0.002 . 202 43 18 LYS CA C 55.205 0 . 203 43 18 LYS CB C 35.612 0 . 204 43 18 LYS CG C 24.349 0 . 205 43 18 LYS CD C 29.579 0 . 206 43 18 LYS CE C 41.607 0 . 207 43 18 LYS N N 119.055 0 . 208 44 19 GLU H H 8.915 0 . 209 44 19 GLU HA H 4.601 0 . 210 44 19 GLU HB2 H 1.775 0.001 . 211 44 19 GLU HB3 H 1.775 0.001 . 212 44 19 GLU HG2 H 1.753 0 . 213 44 19 GLU HG3 H 1.589 0 . 214 44 19 GLU CA C 54.159 0 . 215 44 19 GLU CB C 34.678 0 . 216 44 19 GLU CG C 35.331 0 . 217 44 19 GLU N N 122.553 0 . 218 45 20 GLU H H 8.8 0 . 219 45 20 GLU HA H 5.074 0 . 220 45 20 GLU HB2 H 1.832 0 . 221 45 20 GLU HB3 H 1.832 0 . 222 45 20 GLU HG2 H 2.059 0 . 223 45 20 GLU HG3 H 2.059 0 . 224 45 20 GLU CA C 55.073 0 . 225 45 20 GLU CB C 32.455 0 . 226 45 20 GLU CG C 37.162 0 . 227 45 20 GLU N N 123.837 0 . 228 46 21 PHE H H 9.159 0.001 . 229 46 21 PHE HA H 4.72 0 . 230 46 21 PHE HB2 H 3.009 0 . 231 46 21 PHE HB3 H 2.946 0 . 232 46 21 PHE HD1 H 7.379 0 . 233 46 21 PHE HD2 H 7.379 0 . 234 46 21 PHE HE1 H 7.13 0 . 235 46 21 PHE HE2 H 7.13 0 . 236 46 21 PHE HZ H 6.844 0 . 237 46 21 PHE CA C 57.095 0 . 238 46 21 PHE CB C 41.876 0 . 239 46 21 PHE N N 123.395 0 . 240 47 22 ALA H H 8.638 0 . 241 47 22 ALA HA H 5.427 0 . 242 47 22 ALA HB H 1.206 0 . 243 47 22 ALA CA C 50.266 0 . 244 47 22 ALA CB C 18.363 0 . 245 47 22 ALA N N 126.711 0 . 246 48 23 VAL H H 9.217 0 . 247 48 23 VAL HA H 4.997 0 . 248 48 23 VAL HB H 2.006 0 . 249 48 23 VAL HG1 H 0.765 0 . 250 48 23 VAL HG2 H 0.507 0 . 251 48 23 VAL CA C 57.102 0 . 252 48 23 VAL CB C 34.802 0 . 253 48 23 VAL CG1 C 21.641 0 . 254 48 23 VAL CG2 C 18.22 0 . 255 48 23 VAL N N 120.247 0 . 256 49 24 PRO HA H 4.684 0 . 257 49 24 PRO HB2 H 2.229 0 . 258 49 24 PRO HB3 H 1.898 0 . 259 49 24 PRO HG2 H 2.145 0 . 260 49 24 PRO HG3 H 1.923 0 . 261 49 24 PRO HD2 H 3.84 0 . 262 49 24 PRO HD3 H 3.606 0 . 263 49 24 PRO CA C 62.758 0 . 264 49 24 PRO CB C 32.045 0 . 265 49 24 PRO CG C 28.01 0 . 266 49 24 PRO CD C 50.759 0 . 267 50 25 GLU H H 9.116 0 . 268 50 25 GLU HA H 3.875 0 . 269 50 25 GLU HB2 H 2.151 0 . 270 50 25 GLU HB3 H 1.995 0 . 271 50 25 GLU HG2 H 2.448 0 . 272 50 25 GLU HG3 H 2.095 0 . 273 50 25 GLU CA C 58.15 0 . 274 50 25 GLU CB C 28.533 0 . 275 50 25 GLU CG C 35.07 0 . 276 50 25 GLU N N 122.801 0 . 277 51 26 ASN H H 7.792 0 . 278 51 26 ASN HA H 4.693 0 . 279 51 26 ASN HB2 H 3.209 0 . 280 51 26 ASN HB3 H 2.75 0 . 281 51 26 ASN HD21 H 7.572 0 . 282 51 26 ASN HD22 H 6.807 0 . 283 51 26 ASN CA C 51.547 0 . 284 51 26 ASN CB C 37.172 0 . 285 51 26 ASN N N 113.712 0 . 286 51 26 ASN ND2 N 110.609 0 . 287 52 27 SER H H 7.438 0 . 288 52 27 SER HA H 4.277 0 . 289 52 27 SER HB2 H 3.765 0 . 290 52 27 SER HB3 H 3.724 0 . 291 52 27 SER HG H 5.482 0 . 292 52 27 SER CA C 59.668 0 . 293 52 27 SER CB C 64.731 0 . 294 52 27 SER N N 113.218 0 . 295 53 28 SER H H 8.873 0 . 296 53 28 SER HA H 5.045 0 . 297 53 28 SER HB2 H 4.428 0 . 298 53 28 SER HB3 H 4.091 0 . 299 53 28 SER HG H 5.966 0 . 300 53 28 SER CA C 56.955 0 . 301 53 28 SER CB C 64.98 0 . 302 53 28 SER N N 119.675 0 . 303 54 29 VAL H H 9.192 0 . 304 54 29 VAL HA H 3.509 0 . 305 54 29 VAL HB H 2.644 0 . 306 54 29 VAL HG1 H 0.811 0 . 307 54 29 VAL HG2 H 0.761 0 . 308 54 29 VAL CA C 66.96 0 . 309 54 29 VAL CB C 30.559 0 . 310 54 29 VAL CG1 C 24.989 0 . 311 54 29 VAL CG2 C 21.356 0 . 312 54 29 VAL N N 125.539 0 . 313 55 30 GLN H H 8.826 0 . 314 55 30 GLN HA H 3.822 0 . 315 55 30 GLN HB2 H 2.087 0 . 316 55 30 GLN HB3 H 1.998 0 . 317 55 30 GLN HG2 H 2.292 0 . 318 55 30 GLN HG3 H 2.338 0 . 319 55 30 GLN HE21 H 7.582 0 . 320 55 30 GLN HE22 H 6.713 0 . 321 55 30 GLN CA C 59.851 0 . 322 55 30 GLN CB C 28.794 0 . 323 55 30 GLN CG C 32.91 0 . 324 55 30 GLN N N 121.161 0 . 325 55 30 GLN NE2 N 111.452 0 . 326 56 31 GLN H H 7.943 0 . 327 56 31 GLN HA H 4.031 0 . 328 56 31 GLN HB2 H 2.315 0 . 329 56 31 GLN HB3 H 2.093 0 . 330 56 31 GLN HG2 H 2.479 0 . 331 56 31 GLN HG3 H 2.431 0.003 . 332 56 31 GLN HE21 H 7.609 0 . 333 56 31 GLN HE22 H 6.838 0 . 334 56 31 GLN CA C 58.659 0 . 335 56 31 GLN CB C 28.517 0 . 336 56 31 GLN CG C 34.6 0 . 337 56 31 GLN N N 118.068 0 . 338 56 31 GLN NE2 N 112.024 0 . 339 57 32 PHE H H 8.312 0 . 340 57 32 PHE HA H 4.635 0 . 341 57 32 PHE HB2 H 3.181 0 . 342 57 32 PHE HB3 H 3.026 0 . 343 57 32 PHE HD1 H 6.97 0 . 344 57 32 PHE HD2 H 6.97 0 . 345 57 32 PHE HE1 H 6.702 0 . 346 57 32 PHE HE2 H 6.702 0 . 347 57 32 PHE HZ H 7.085 0 . 348 57 32 PHE CA C 57.812 0 . 349 57 32 PHE CB C 39.011 0 . 350 57 32 PHE N N 123.053 0 . 351 58 33 LYS H H 8.96 0 . 352 58 33 LYS HA H 3.393 0 . 353 58 33 LYS HB2 H 2.073 0 . 354 58 33 LYS HB3 H 1.56 0 . 355 58 33 LYS HG2 H 1.661 0 . 356 58 33 LYS HG3 H 0.764 0 . 357 58 33 LYS HD2 H 1.717 0 . 358 58 33 LYS HD3 H 1.717 0 . 359 58 33 LYS HE2 H 2.683 0 . 360 58 33 LYS HE3 H 2.538 0 . 361 58 33 LYS CA C 60.41 0 . 362 58 33 LYS CB C 33.216 0 . 363 58 33 LYS CG C 28.01 0 . 364 58 33 LYS CD C 30.048 0 . 365 58 33 LYS CE C 41.869 0 . 366 58 33 LYS N N 117.463 0 . 367 59 34 GLU H H 7.728 0 . 368 59 34 GLU HA H 3.82 0 . 369 59 34 GLU HB2 H 2.22 0 . 370 59 34 GLU HB3 H 2.093 0 . 371 59 34 GLU HG2 H 2.474 0 . 372 59 34 GLU HG3 H 2.274 0 . 373 59 34 GLU CA C 59.736 0 . 374 59 34 GLU CB C 28.831 0 . 375 59 34 GLU CG C 36.116 0 . 376 59 34 GLU N N 118.493 0 . 377 60 35 ALA H H 7.439 0 . 378 60 35 ALA HA H 4.233 0 . 379 60 35 ALA HB H 1.601 0 . 380 60 35 ALA CA C 54.852 0 . 381 60 35 ALA CB C 17.653 0 . 382 60 35 ALA N N 122 0 . 383 61 36 ILE H H 7.813 0 . 384 61 36 ILE HA H 3.723 0 . 385 61 36 ILE HB H 1.377 0 . 386 61 36 ILE HG12 H 0.682 0 . 387 61 36 ILE HG13 H 0.122 0 . 388 61 36 ILE HG2 H 0.067 0 . 389 61 36 ILE HD1 H -0.243 0 . 390 61 36 ILE CA C 63.838 0 . 391 61 36 ILE CB C 38.185 0 . 392 61 36 ILE CG1 C 27.225 0 . 393 61 36 ILE CG2 C 17.793 0 . 394 61 36 ILE CD1 C 14.32 0 . 395 61 36 ILE N N 116.805 0 . 396 62 37 SER H H 8.285 0 . 397 62 37 SER HA H 3.871 0 . 398 62 37 SER HB2 H 4.012 0 . 399 62 37 SER HB3 H 3.878 0 . 400 62 37 SER HG H 5.058 0 . 401 62 37 SER CA C 61.835 0 . 402 62 37 SER CB C 62.157 0 . 403 62 37 SER N N 116.287 0 . 404 63 38 LYS H H 7.348 0 . 405 63 38 LYS HA H 4.2 0 . 406 63 38 LYS HB2 H 1.949 0.001 . 407 63 38 LYS HB3 H 1.949 0.001 . 408 63 38 LYS HG2 H 1.656 0 . 409 63 38 LYS HG3 H 1.521 0 . 410 63 38 LYS HD2 H 1.736 0 . 411 63 38 LYS HD3 H 1.736 0 . 412 63 38 LYS HE2 H 3.015 0.002 . 413 63 38 LYS HE3 H 3.015 0.002 . 414 63 38 LYS CA C 58.547 0 . 415 63 38 LYS CB C 31.96 0 . 416 63 38 LYS CG C 25.026 0 . 417 63 38 LYS CD C 28.844 0 . 418 63 38 LYS CE C 41.908 0 . 419 63 38 LYS N N 119.605 0 . 420 64 39 ARG H H 7.734 0 . 421 64 39 ARG HA H 4.16 0 . 422 64 39 ARG HB2 H 2.065 0 . 423 64 39 ARG HB3 H 1.956 0 . 424 64 39 ARG HG2 H 1.281 0 . 425 64 39 ARG HG3 H 1.281 0 . 426 64 39 ARG HD2 H 3.097 0 . 427 64 39 ARG HD3 H 2.951 0 . 428 64 39 ARG CA C 56.774 0 . 429 64 39 ARG CB C 29.056 0 . 430 64 39 ARG CG C 25.395 0 . 431 64 39 ARG CD C 40.561 0 . 432 64 39 ARG N N 120.047 0 . 433 65 40 PHE H H 8.045 0 . 434 65 40 PHE HA H 4.518 0 . 435 65 40 PHE HB2 H 3.286 0 . 436 65 40 PHE HB3 H 2.451 0 . 437 65 40 PHE HD1 H 7.342 0 . 438 65 40 PHE HD2 H 7.342 0 . 439 65 40 PHE HE1 H 7.093 0 . 440 65 40 PHE HE2 H 7.093 0 . 441 65 40 PHE HZ H 6.995 0 . 442 65 40 PHE CA C 58.345 0 . 443 65 40 PHE CB C 37.997 0 . 444 65 40 PHE N N 114.3 0 . 445 66 41 LYS H H 7.863 0 . 446 66 41 LYS HA H 4.049 0 . 447 66 41 LYS HB2 H 2.026 0.002 . 448 66 41 LYS HB3 H 1.885 0 . 449 66 41 LYS HG2 H 1.358 0 . 450 66 41 LYS HG3 H 1.358 0 . 451 66 41 LYS HD2 H 1.73 0 . 452 66 41 LYS HD3 H 1.664 0 . 453 66 41 LYS HE2 H 3.003 0 . 454 66 41 LYS HE3 H 3.003 0 . 455 66 41 LYS CA C 57.045 0 . 456 66 41 LYS CB C 29.317 0 . 457 66 41 LYS CG C 24.872 0 . 458 66 41 LYS CD C 29.056 0 . 459 66 41 LYS CE C 41.869 0 . 460 66 41 LYS N N 118.906 0 . 461 67 42 SER H H 7.947 0 . 462 67 42 SER HA H 4.866 0 . 463 67 42 SER HB2 H 3.556 0 . 464 67 42 SER HB3 H 3.381 0.002 . 465 67 42 SER CA C 56.774 0 . 466 67 42 SER CB C 66.879 0 . 467 67 42 SER N N 112.614 0 . 468 68 43 GLN H H 8.665 0 . 469 68 43 GLN HA H 4.568 0 . 470 68 43 GLN HB2 H 2.345 0 . 471 68 43 GLN HB3 H 2 0 . 472 68 43 GLN HG2 H 2.47 0 . 473 68 43 GLN HG3 H 2.428 0 . 474 68 43 GLN HE21 H 7.808 0 . 475 68 43 GLN HE22 H 6.815 0 . 476 68 43 GLN CA C 55.01 0 . 477 68 43 GLN CB C 29.84 0 . 478 68 43 GLN CG C 34.024 0 . 479 68 43 GLN N N 120.588 0 . 480 68 43 GLN NE2 N 113.562 0 . 481 69 44 THR H H 8.94 0 . 482 69 44 THR HA H 3.646 0 . 483 69 44 THR HB H 4.173 0 . 484 69 44 THR HG2 H 1.235 0 . 485 69 44 THR CA C 66.115 0 . 486 69 44 THR CB C 67.624 0 . 487 69 44 THR CG2 C 22.496 0 . 488 69 44 THR N N 114.837 0 . 489 70 45 ASP H H 8.314 0 . 490 70 45 ASP HA H 4.42 0 . 491 70 45 ASP HB2 H 2.708 0 . 492 70 45 ASP HB3 H 2.646 0 . 493 70 45 ASP CA C 55.313 0 . 494 70 45 ASP CB C 39.813 0 . 495 70 45 ASP N N 117.7 0 . 496 71 46 GLN H H 7.568 0 . 497 71 46 GLN HA H 4.314 0 . 498 71 46 GLN HB2 H 2.48 0 . 499 71 46 GLN HB3 H 2.1 0 . 500 71 46 GLN HG2 H 2.399 0 . 501 71 46 GLN HG3 H 2.194 0 . 502 71 46 GLN HE21 H 7.855 0 . 503 71 46 GLN HE22 H 6.752 0 . 504 71 46 GLN CA C 55.555 0 . 505 71 46 GLN CB C 31.046 0 . 506 71 46 GLN CG C 35.321 0 . 507 71 46 GLN N N 116 0 . 508 71 46 GLN NE2 N 112.437 0 . 509 72 47 LEU H H 7.151 0 . 510 72 47 LEU HA H 4.392 0 . 511 72 47 LEU HB2 H 1.721 0 . 512 72 47 LEU HB3 H 0.854 0 . 513 72 47 LEU HG H 1.949 0 . 514 72 47 LEU HD1 H 0.622 0 . 515 72 47 LEU HD2 H 0.603 0 . 516 72 47 LEU CA C 54.453 0 . 517 72 47 LEU CB C 42.019 0 . 518 72 47 LEU CG C 25.395 0 . 519 72 47 LEU CD1 C 27.198 0 . 520 72 47 LEU CD2 C 22.638 0 . 521 72 47 LEU N N 115.963 0 . 522 73 48 VAL H H 8.669 0 . 523 73 48 VAL HA H 4.03 0 . 524 73 48 VAL HB H 2.076 0 . 525 73 48 VAL HG1 H 0.783 0 . 526 73 48 VAL HG2 H 0.83 0 . 527 73 48 VAL CA C 61.762 0 . 528 73 48 VAL CB C 33.414 0 . 529 73 48 VAL CG1 C 20.426 0 . 530 73 48 VAL CG2 C 21.486 0 . 531 73 48 VAL N N 125.095 0 . 532 74 49 LEU H H 8.693 0 . 533 74 49 LEU HA H 5.213 0 . 534 74 49 LEU HB2 H 1.394 0 . 535 74 49 LEU HB3 H 1.18 0 . 536 74 49 LEU HG H 1.31 0 . 537 74 49 LEU HD1 H 0.684 0 . 538 74 49 LEU HD2 H 0.66 0 . 539 74 49 LEU CA C 52.938 0 . 540 74 49 LEU CB C 45.268 0 . 541 74 49 LEU CG C 26.964 0 . 542 74 49 LEU CD1 C 26.859 0 . 543 74 49 LEU CD2 C 24.776 0 . 544 74 49 LEU N N 126.391 0 . 545 75 50 ILE H H 9.189 0 . 546 75 50 ILE HA H 5.084 0 . 547 75 50 ILE HB H 1.48 0 . 548 75 50 ILE HG12 H 1.317 0 . 549 75 50 ILE HG13 H 0.824 0 . 550 75 50 ILE HG2 H 0.617 0 . 551 75 50 ILE HD1 H 0.678 0 . 552 75 50 ILE CA C 59.874 0 . 553 75 50 ILE CB C 42.675 0 . 554 75 50 ILE CG1 C 29.478 0 . 555 75 50 ILE CG2 C 18.87 0 . 556 75 50 ILE CD1 C 16.072 0 . 557 75 50 ILE N N 122.993 0 . 558 76 51 PHE H H 8.674 0 . 559 76 51 PHE HA H 5.018 0 . 560 76 51 PHE HB2 H 2.951 0 . 561 76 51 PHE HB3 H 2.702 0 . 562 76 51 PHE HD1 H 7.406 0 . 563 76 51 PHE HD2 H 7.406 0 . 564 76 51 PHE HE1 H 6.919 0 . 565 76 51 PHE HE2 H 6.919 0 . 566 76 51 PHE HZ H 7.563 0 . 567 76 51 PHE CA C 57.035 0 . 568 76 51 PHE CB C 44.024 0 . 569 76 51 PHE N N 124.962 0 . 570 77 52 ALA H H 8.781 0 . 571 77 52 ALA HA H 3.266 0 . 572 77 52 ALA HB H 1.066 0 . 573 77 52 ALA CA C 52.61 0 . 574 77 52 ALA CB C 17.579 0 . 575 77 52 ALA N N 132.947 0 . 576 78 53 GLY H H 8.184 0 . 577 78 53 GLY HA2 H 3.308 0 . 578 78 53 GLY HA3 H 4.004 0 . 579 78 53 GLY CA C 45.28 0 . 580 78 53 GLY N N 100.774 0 . 581 79 54 LYS H H 7.772 0.002 . 582 79 54 LYS HA H 4.585 0.001 . 583 79 54 LYS HB2 H 1.858 0 . 584 79 54 LYS HB3 H 1.788 0 . 585 79 54 LYS HG2 H 1.468 0.002 . 586 79 54 LYS HG3 H 1.468 0.002 . 587 79 54 LYS HD2 H 1.874 0.001 . 588 79 54 LYS HD3 H 1.788 0 . 589 79 54 LYS HE2 H 3.09 0 . 590 79 54 LYS HE3 H 3.09 0 . 591 79 54 LYS CA C 54.42 0 . 592 79 54 LYS CB C 34.285 0 . 593 79 54 LYS CG C 24.349 0 . 594 79 54 LYS CD C 29.193 0 . 595 79 54 LYS CE C 41.607 0 . 596 79 54 LYS N N 118.493 0 . 597 80 55 ILE H H 8.28 0.001 . 598 80 55 ILE HA H 4.275 0 . 599 80 55 ILE HB H 1.622 0 . 600 80 55 ILE HG12 H 1.546 0 . 601 80 55 ILE HG13 H 0.754 0 . 602 80 55 ILE HG2 H 0.85 0 . 603 80 55 ILE HD1 H 0.823 0 . 604 80 55 ILE CA C 60.986 0 . 605 80 55 ILE CB C 38.122 0 . 606 80 55 ILE CG1 C 28.533 0 . 607 80 55 ILE CG2 C 17.65 0 . 608 80 55 ILE CD1 C 13.803 0 . 609 80 55 ILE N N 120.743 0 . 610 81 56 LEU H H 8.673 0 . 611 81 56 LEU HA H 4.008 0 . 612 81 56 LEU HB2 H 1.519 0 . 613 81 56 LEU HB3 H 1.207 0 . 614 81 56 LEU HG H 1.404 0 . 615 81 56 LEU HD1 H 0.515 0.001 . 616 81 56 LEU HD2 H 0.076 0 . 617 81 56 LEU CA C 54.807 0 . 618 81 56 LEU CB C 41.869 0 . 619 81 56 LEU CG C 26.179 0 . 620 81 56 LEU CD1 C 25.061 0 . 621 81 56 LEU CD2 C 20.073 0 . 622 81 56 LEU N N 128.19 0 . 623 82 57 LYS H H 8.145 0 . 624 82 57 LYS HA H 4.502 0.001 . 625 82 57 LYS HB2 H 1.874 0.001 . 626 82 57 LYS HB3 H 1.874 0.001 . 627 82 57 LYS HG2 H 1.647 0.002 . 628 82 57 LYS HG3 H 1.461 0.001 . 629 82 57 LYS HD2 H 1.771 0 . 630 82 57 LYS HD3 H 1.771 0 . 631 82 57 LYS HE2 H 3.086 0 . 632 82 57 LYS HE3 H 3.086 0 . 633 82 57 LYS CA C 55.205 0 . 634 82 57 LYS CB C 32.974 0 . 635 82 57 LYS CG C 24.872 0 . 636 82 57 LYS CD C 29.056 0 . 637 82 57 LYS CE C 41.734 0 . 638 82 57 LYS N N 123.093 0 . 639 83 58 ASP H H 8.384 0 . 640 83 58 ASP HA H 4.213 0 . 641 83 58 ASP HB2 H 2.63 0 . 642 83 58 ASP HB3 H 2.56 0 . 643 83 58 ASP CA C 57.941 0 . 644 83 58 ASP CB C 40.592 0 . 645 83 58 ASP N N 121.011 0 . 646 84 59 GLN H H 8.252 0 . 647 84 59 GLN HA H 4.452 0 . 648 84 59 GLN HB2 H 2.262 0 . 649 84 59 GLN HB3 H 2.116 0 . 650 84 59 GLN HG2 H 2.464 0 . 651 84 59 GLN HG3 H 2.464 0 . 652 84 59 GLN HE21 H 7.677 0 . 653 84 59 GLN HE22 H 6.91 0 . 654 84 59 GLN CA C 55.974 0 . 655 84 59 GLN CB C 28.088 0 . 656 84 59 GLN CG C 33.501 0 . 657 84 59 GLN N N 113.173 0 . 658 84 59 GLN NE2 N 113 0 . 659 85 60 ASP H H 7.777 0 . 660 85 60 ASP HA H 4.835 0 . 661 85 60 ASP HB2 H 3.164 0 . 662 85 60 ASP HB3 H 2.715 0 . 663 85 60 ASP CA C 54.006 0 . 664 85 60 ASP CB C 41.827 0 . 665 85 60 ASP N N 122.199 0 . 666 86 61 THR H H 8.273 0 . 667 86 61 THR HA H 5.157 0 . 668 86 61 THR HB H 4.247 0.001 . 669 86 61 THR HG2 H 1.176 0 . 670 86 61 THR CA C 59.181 0 . 671 86 61 THR CB C 71.925 0 . 672 86 61 THR CG2 C 21.356 0 . 673 86 61 THR N N 107.504 0 . 674 87 62 LEU H H 7.849 0 . 675 87 62 LEU HA H 3.875 0 . 676 87 62 LEU HB2 H 1.875 0 . 677 87 62 LEU HB3 H 1.324 0 . 678 87 62 LEU HG H 1.563 0 . 679 87 62 LEU HD1 H 0.371 0 . 680 87 62 LEU HD2 H 0.3 0 . 681 87 62 LEU CA C 58.39 0 . 682 87 62 LEU CB C 38.76 0 . 683 87 62 LEU CG C 26.964 0 . 684 87 62 LEU CD1 C 25.291 0 . 685 87 62 LEU CD2 C 21.734 0 . 686 87 62 LEU N N 117.394 0 . 687 88 63 ILE H H 7.584 0 . 688 88 63 ILE HA H 3.941 0 . 689 88 63 ILE HB H 1.723 0 . 690 88 63 ILE HG12 H 1.55 0 . 691 88 63 ILE HG13 H 1.16 0 . 692 88 63 ILE HG2 H 0.902 0 . 693 88 63 ILE HD1 H 0.827 0 . 694 88 63 ILE CA C 63.612 0 . 695 88 63 ILE CB C 37.816 0 . 696 88 63 ILE CG1 C 29.056 0 . 697 88 63 ILE CG2 C 16.51 0 . 698 88 63 ILE CD1 C 13.889 0 . 699 88 63 ILE N N 117.156 0 . 700 89 64 GLN H H 7.686 0 . 701 89 64 GLN HA H 4.037 0 . 702 89 64 GLN HB2 H 2.166 0 . 703 89 64 GLN HB3 H 1.996 0 . 704 89 64 GLN HG2 H 2.205 0 . 705 89 64 GLN HG3 H 1.864 0 . 706 89 64 GLN HE21 H 7.296 0 . 707 89 64 GLN HE22 H 6.547 0 . 708 89 64 GLN CA C 58.2 0 . 709 89 64 GLN CB C 28.533 0 . 710 89 64 GLN CG C 32.946 0 . 711 89 64 GLN N N 123.647 0 . 712 89 64 GLN NE2 N 110.609 0 . 713 90 65 HIS H H 6.914 0 . 714 90 65 HIS HA H 4.53 0 . 715 90 65 HIS HB2 H 3.306 0 . 716 90 65 HIS HB3 H 2.585 0 . 717 90 65 HIS HD2 H 7.062 0.001 . 718 90 65 HIS HE1 H 7.74 0 . 719 90 65 HIS CA C 56.987 0 . 720 90 65 HIS CB C 33.24 0 . 721 90 65 HIS N N 115.118 0 . 722 91 66 GLY H H 7.876 0 . 723 91 66 GLY HA2 H 3.552 0 . 724 91 66 GLY HA3 H 3.998 0 . 725 91 66 GLY CA C 45.53 0 . 726 91 66 GLY N N 107.235 0 . 727 92 67 ILE H H 7.093 0 . 728 92 67 ILE HA H 3.084 0 . 729 92 67 ILE HB H 1.246 0 . 730 92 67 ILE HG12 H 0.595 0 . 731 92 67 ILE HG13 H -1.078 0 . 732 92 67 ILE HG2 H 0.269 0 . 733 92 67 ILE HD1 H 0.301 0 . 734 92 67 ILE CA C 61.481 0 . 735 92 67 ILE CB C 35.423 0 . 736 92 67 ILE CG1 C 26.179 0 . 737 92 67 ILE CG2 C 17.365 0 . 738 92 67 ILE CD1 C 14.627 0 . 739 92 67 ILE N N 119.672 0 . 740 93 68 HIS H H 6.048 0 . 741 93 68 HIS HA H 4.686 0 . 742 93 68 HIS HB2 H 3.271 0 . 743 93 68 HIS HB3 H 3.053 0 . 744 93 68 HIS HD2 H 6.942 0 . 745 93 68 HIS HE1 H 6.945 0 . 746 93 68 HIS CA C 52.951 0 . 747 93 68 HIS CB C 32.194 0 . 748 93 68 HIS N N 121.547 0 . 749 94 69 ASP H H 8.463 0 . 750 94 69 ASP HA H 4.387 0 . 751 94 69 ASP HB2 H 2.669 0 . 752 94 69 ASP HB3 H 2.669 0 . 753 94 69 ASP CA C 56.612 0 . 754 94 69 ASP CB C 42.705 0 . 755 94 69 ASP N N 116.516 0 . 756 95 70 GLY H H 9.441 0 . 757 95 70 GLY HA2 H 4.285 0 . 758 95 70 GLY HA3 H 3.824 0 . 759 95 70 GLY CA C 45.007 0 . 760 95 70 GLY N N 112.42 0 . 761 96 71 LEU H H 7.674 0 . 762 96 71 LEU HA H 4.751 0 . 763 96 71 LEU HB2 H 2.033 0 . 764 96 71 LEU HB3 H 1.955 0 . 765 96 71 LEU HG H 1.587 0 . 766 96 71 LEU HD1 H 1.08 0 . 767 96 71 LEU HD2 H 0.967 0 . 768 96 71 LEU CA C 54.008 0 . 769 96 71 LEU CB C 42.152 0 . 770 96 71 LEU CG C 26.702 0 . 771 96 71 LEU CD1 C 26.913 0 . 772 96 71 LEU CD2 C 22.353 0 . 773 96 71 LEU N N 119.899 0 . 774 97 72 THR H H 8.132 0 . 775 97 72 THR HA H 5.304 0 . 776 97 72 THR HB H 3.961 0 . 777 97 72 THR HG2 H 0.709 0 . 778 97 72 THR CA C 61.615 0 . 779 97 72 THR CB C 70.886 0 . 780 97 72 THR CG2 C 21.783 0 . 781 97 72 THR N N 114.91 0 . 782 98 73 VAL H H 9.388 0 . 783 98 73 VAL HA H 4.665 0 . 784 98 73 VAL HB H 1.988 0 . 785 98 73 VAL HG1 H 0.959 0 . 786 98 73 VAL HG2 H 0.851 0 . 787 98 73 VAL CA C 60.459 0 . 788 98 73 VAL CB C 34.285 0 . 789 98 73 VAL CG1 C 22.518 0 . 790 98 73 VAL CG2 C 22.781 0 . 791 98 73 VAL N N 124.619 0 . 792 99 74 HIS H H 8.941 0 . 793 99 74 HIS HA H 4.921 0 . 794 99 74 HIS HB2 H 2.946 0 . 795 99 74 HIS HB3 H 2.905 0 . 796 99 74 HIS CA C 56.811 0 . 797 99 74 HIS CB C 30.903 0 . 798 99 74 HIS N N 125.252 0 . 799 100 75 LEU H H 8.444 0 . 800 100 75 LEU HA H 5.282 0 . 801 100 75 LEU HB2 H 1.21 0 . 802 100 75 LEU HB3 H 0.759 0 . 803 100 75 LEU HG H 0.939 0 . 804 100 75 LEU HD1 H -0.18 0 . 805 100 75 LEU HD2 H 0.606 0 . 806 100 75 LEU CA C 52.876 0 . 807 100 75 LEU CB C 45.268 0 . 808 100 75 LEU CG C 27.225 0 . 809 100 75 LEU CD1 C 25.488 0 . 810 100 75 LEU CD2 C 24.491 0 . 811 100 75 LEU N N 123.521 0 . 812 101 76 VAL H H 9.002 0 . 813 101 76 VAL HA H 4.143 0 . 814 101 76 VAL HB H 1.714 0 . 815 101 76 VAL HG1 H 0.771 0 . 816 101 76 VAL HG2 H 0.765 0 . 817 101 76 VAL CA C 61.289 0 . 818 101 76 VAL CB C 34.481 0 . 819 101 76 VAL CG1 C 20.949 0 . 820 101 76 VAL CG2 C 22.353 0 . 821 101 76 VAL N N 128.055 0 . 822 102 77 ILE H H 8.191 0 . 823 102 77 ILE HA H 4.523 0 . 824 102 77 ILE HB H 1.683 0 . 825 102 77 ILE HG12 H 1.331 0 . 826 102 77 ILE HG13 H 0.594 0 . 827 102 77 ILE HG2 H 0.867 0 . 828 102 77 ILE HD1 H 0.717 0 . 829 102 77 ILE CA C 60.607 0 . 830 102 77 ILE CB C 38.499 0 . 831 102 77 ILE CG1 C 27.487 0 . 832 102 77 ILE CG2 C 17.462 0 . 833 102 77 ILE CD1 C 13.212 0 . 834 102 77 ILE N N 126.649 0 . 835 103 78 LYS H H 9.053 0 . 836 103 78 LYS HA H 4.148 0 . 837 103 78 LYS HB2 H 1.801 0 . 838 103 78 LYS HB3 H 1.657 0 . 839 103 78 LYS HG2 H 1.365 0 . 840 103 78 LYS HG3 H 1.292 0 . 841 103 78 LYS HD2 H 1.589 0 . 842 103 78 LYS HD3 H 1.589 0 . 843 103 78 LYS HE2 H 2.903 0 . 844 103 78 LYS HE3 H 2.783 0 . 845 103 78 LYS CA C 57.339 0 . 846 103 78 LYS CB C 33.326 0 . 847 103 78 LYS CG C 24.776 0 . 848 103 78 LYS CD C 28.908 0 . 849 103 78 LYS CE C 41.306 0 . 850 103 78 LYS N N 134.524 0 . stop_ save_ save_assigned_chemical_shifts_1_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aliphatic' '3D 1H-13C half-filter NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_5 $sample_4 $sample_3 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_2, 2' _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 26 1 ALA H H 8.407 0 . 2 26 1 ALA HA H 4.628 0 . 3 26 1 ALA HB H 1.361 0 . 4 26 1 ALA CA C 50.428 0 . 5 26 1 ALA CB C 18.032 0 . 6 26 1 ALA N N 127.275 0 . 7 27 2 PRO HA H 4.384 0 . 8 27 2 PRO HB2 H 2.284 0 . 9 27 2 PRO HB3 H 1.896 0 . 10 27 2 PRO HG2 H 2.001 0 . 11 27 2 PRO HG3 H 2.001 0 . 12 27 2 PRO HD2 H 3.786 0 . 13 27 2 PRO HD3 H 3.62 0 . 14 27 2 PRO CA C 62.794 0 . 15 27 2 PRO CB C 31.982 0 . 16 27 2 PRO CG C 27.225 0 . 17 27 2 PRO CD C 50.498 0 . 18 28 3 ALA H H 8.349 0 . 19 28 3 ALA HA H 4.29 0 . 20 28 3 ALA HB H 1.354 0 . 21 28 3 ALA CA C 51.997 0 . 22 28 3 ALA CB C 18.933 0 . 23 28 3 ALA N N 124.423 0 . 24 29 4 GLU H H 8.299 0 . 25 29 4 GLU HA H 4.556 0 . 26 29 4 GLU HB2 H 2.028 0 . 27 29 4 GLU HB3 H 1.859 0 . 28 29 4 GLU HG2 H 2.27 0 . 29 29 4 GLU HG3 H 2.27 0 . 30 29 4 GLU CA C 54.083 0 . 31 29 4 GLU CB C 29.647 0 . 32 29 4 GLU CG C 35.854 0 . 33 29 4 GLU N N 121.839 0 . 34 30 5 PRO HA H 4.449 0 . 35 30 5 PRO HB2 H 2.24 0 . 36 30 5 PRO HB3 H 1.811 0 . 37 30 5 PRO HG2 H 2.026 0 . 38 30 5 PRO HG3 H 2.026 0 . 39 30 5 PRO HD2 H 3.755 0 . 40 30 5 PRO HD3 H 3.713 0 . 41 30 5 PRO CA C 62.557 0 . 42 30 5 PRO CB C 32.194 0 . 43 30 5 PRO CG C 27.487 0 . 44 30 5 PRO CD C 50.236 0 . 45 31 6 LYS H H 8.666 0 . 46 31 6 LYS HA H 4.216 0 . 47 31 6 LYS HB2 H 1.656 0 . 48 31 6 LYS HB3 H 1.656 0 . 49 31 6 LYS HG2 H 1.436 0 . 50 31 6 LYS HG3 H 1.365 0 . 51 31 6 LYS HD2 H 1.667 0.002 . 52 31 6 LYS HD3 H 1.667 0.002 . 53 31 6 LYS HE2 H 2.961 0.001 . 54 31 6 LYS HE3 H 2.961 0.001 . 55 31 6 LYS CA C 55.833 0 . 56 31 6 LYS CB C 33.037 0 . 57 31 6 LYS CG C 24.872 0 . 58 31 6 LYS CD C 28.794 0 . 59 31 6 LYS CE C 41.607 0 . 60 31 6 LYS N N 123.291 0 . 61 32 7 ILE H H 8.395 0 . 62 32 7 ILE HA H 4.253 0 . 63 32 7 ILE HB H 1.833 0 . 64 32 7 ILE HG12 H 1.403 0.001 . 65 32 7 ILE HG13 H 1.338 0.002 . 66 32 7 ILE HG2 H 0.676 0 . 67 32 7 ILE HD1 H 0.631 0 . 68 32 7 ILE CA C 59.092 0 . 69 32 7 ILE CB C 36.678 0 . 70 32 7 ILE CG1 C 26.728 0 . 71 32 7 ILE CG2 C 17.899 0 . 72 32 7 ILE CD1 C 9.955 0 . 73 32 7 ILE N N 125.046 0 . 74 33 8 ILE H H 8.982 0 . 75 33 8 ILE HA H 4.649 0 . 76 33 8 ILE HB H 1.588 0 . 77 33 8 ILE HG12 H 1.301 0.002 . 78 33 8 ILE HG13 H 0.877 0 . 79 33 8 ILE HG2 H 0.927 0 . 80 33 8 ILE HD1 H 0.591 0 . 81 33 8 ILE CA C 59.267 0 . 82 33 8 ILE CB C 41.876 0 . 83 33 8 ILE CG1 C 25.061 0 . 84 33 8 ILE CG2 C 18.933 0 . 85 33 8 ILE CD1 C 14.658 0 . 86 33 8 ILE N N 122.993 0 . 87 34 9 LYS H H 8.979 0 . 88 34 9 LYS HA H 5.382 0 . 89 34 9 LYS HB2 H 1.772 0 . 90 34 9 LYS HB3 H 1.589 0 . 91 34 9 LYS HG2 H 1.422 0 . 92 34 9 LYS HG3 H 1.228 0 . 93 34 9 LYS HD2 H 1.605 0 . 94 34 9 LYS HD3 H 1.605 0 . 95 34 9 LYS HE2 H 2.897 0 . 96 34 9 LYS HE3 H 2.897 0 . 97 34 9 LYS CA C 54.42 0 . 98 34 9 LYS CB C 32.786 0 . 99 34 9 LYS CG C 24.61 0 . 100 34 9 LYS CD C 28.794 0 . 101 34 9 LYS CE C 41.346 0 . 102 34 9 LYS N N 121.06 0 . 103 35 10 VAL H H 9.052 0 . 104 35 10 VAL HA H 4.583 0 . 105 35 10 VAL HB H 1.804 0 . 106 35 10 VAL HG1 H 0.559 0 . 107 35 10 VAL HG2 H 0.793 0 . 108 35 10 VAL CA C 60.826 0 . 109 35 10 VAL CB C 35.854 0 . 110 35 10 VAL CG1 C 21.212 0 . 111 35 10 VAL CG2 C 22.208 0 . 112 35 10 VAL N N 124.817 0 . 113 36 11 THR H H 8.624 0 . 114 36 11 THR HA H 4.997 0 . 115 36 11 THR HB H 4.156 0.001 . 116 36 11 THR HG2 H 1.091 0 . 117 36 11 THR CA C 62.754 0 . 118 36 11 THR CB C 69.275 0 . 119 36 11 THR CG2 C 22.068 0 . 120 36 11 THR N N 124.718 0 . 121 37 12 VAL H H 9.663 0 . 122 37 12 VAL HA H 4.999 0 . 123 37 12 VAL HB H 2.259 0 . 124 37 12 VAL HG1 H 0.875 0.001 . 125 37 12 VAL HG2 H 0.671 0 . 126 37 12 VAL CA C 60.623 0 . 127 37 12 VAL CB C 33.665 0 . 128 37 12 VAL CG1 C 23.351 0 . 129 37 12 VAL CG2 C 23.636 0 . 130 37 12 VAL N N 128.045 0 . 131 38 13 LYS H H 8.453 0 . 132 38 13 LYS HA H 5.298 0.001 . 133 38 13 LYS HB2 H 1.592 0.001 . 134 38 13 LYS HB3 H 1.32 0.002 . 135 38 13 LYS HG2 H 1.428 0.002 . 136 38 13 LYS HG3 H 1.428 0.002 . 137 38 13 LYS HD2 H 1.592 0 . 138 38 13 LYS HD3 H 1.592 0 . 139 38 13 LYS HE2 H 2.933 0.001 . 140 38 13 LYS HE3 H 2.933 0.001 . 141 38 13 LYS CA C 54.697 0 . 142 38 13 LYS CB C 37.008 0 . 143 38 13 LYS CG C 25.395 0 . 144 38 13 LYS CD C 30.048 0 . 145 38 13 LYS CE C 41.869 0 . 146 38 13 LYS N N 127.039 0 . 147 39 14 THR H H 9.024 0.001 . 148 39 14 THR HA H 5.41 0 . 149 39 14 THR HB H 4.822 0 . 150 39 14 THR HG2 H 1.01 0 . 151 39 14 THR CA C 59.238 0 . 152 39 14 THR CB C 68.209 0 . 153 39 14 THR CG2 C 22.353 0 . 154 39 14 THR N N 119.406 0 . 155 40 15 PRO HA H 4.45 0 . 156 40 15 PRO HB2 H 2.508 0 . 157 40 15 PRO HB3 H 1.81 0 . 158 40 15 PRO HG2 H 2.044 0 . 159 40 15 PRO HG3 H 2.044 0 . 160 40 15 PRO HD2 H 4.279 0 . 161 40 15 PRO HD3 H 3.788 0 . 162 40 15 PRO CA C 65.403 0 . 163 40 15 PRO CB C 31.991 0 . 164 40 15 PRO CG C 28.533 0 . 165 40 15 PRO CD C 50.802 0 . 166 41 16 LYS H H 7.843 0 . 167 41 16 LYS HA H 4.564 0.001 . 168 41 16 LYS HB2 H 1.913 0 . 169 41 16 LYS HB3 H 1.787 0 . 170 41 16 LYS HG2 H 1.44 0.001 . 171 41 16 LYS HG3 H 1.357 0.001 . 172 41 16 LYS HD2 H 1.699 0 . 173 41 16 LYS HD3 H 1.699 0 . 174 41 16 LYS HE2 H 2.997 0.003 . 175 41 16 LYS HE3 H 2.997 0.003 . 176 41 16 LYS CA C 55.89 0 . 177 41 16 LYS CB C 35.551 0 . 178 41 16 LYS CG C 24.61 0 . 179 41 16 LYS CD C 28.794 0 . 180 41 16 LYS CE C 41.607 0 . 181 41 16 LYS N N 111.541 0 . 182 42 17 GLU H H 8.014 0 . 183 42 17 GLU HA H 4.808 0 . 184 42 17 GLU HB2 H 2.163 0 . 185 42 17 GLU HB3 H 2.163 0 . 186 42 17 GLU HG2 H 2.222 0 . 187 42 17 GLU HG3 H 2.155 0 . 188 42 17 GLU CA C 55.489 0 . 189 42 17 GLU CB C 33.728 0 . 190 42 17 GLU CG C 35.883 0 . 191 42 17 GLU N N 118.212 0 . 192 43 18 LYS H H 8.523 0 . 193 43 18 LYS HA H 5.433 0 . 194 43 18 LYS HB2 H 1.8 0.001 . 195 43 18 LYS HB3 H 1.672 0 . 196 43 18 LYS HG2 H 1.296 0 . 197 43 18 LYS HG3 H 1.296 0 . 198 43 18 LYS HD2 H 1.606 0 . 199 43 18 LYS HD3 H 1.606 0 . 200 43 18 LYS HE2 H 2.923 0.002 . 201 43 18 LYS HE3 H 2.923 0.002 . 202 43 18 LYS CA C 55.205 0 . 203 43 18 LYS CB C 35.612 0 . 204 43 18 LYS CG C 24.349 0 . 205 43 18 LYS CD C 29.579 0 . 206 43 18 LYS CE C 41.607 0 . 207 43 18 LYS N N 119.055 0 . 208 44 19 GLU H H 8.915 0 . 209 44 19 GLU HA H 4.601 0 . 210 44 19 GLU HB2 H 1.775 0.001 . 211 44 19 GLU HB3 H 1.775 0.001 . 212 44 19 GLU HG2 H 1.753 0 . 213 44 19 GLU HG3 H 1.589 0 . 214 44 19 GLU CA C 54.159 0 . 215 44 19 GLU CB C 34.678 0 . 216 44 19 GLU CG C 35.331 0 . 217 44 19 GLU N N 122.553 0 . 218 45 20 GLU H H 8.8 0 . 219 45 20 GLU HA H 5.074 0 . 220 45 20 GLU HB2 H 1.832 0 . 221 45 20 GLU HB3 H 1.832 0 . 222 45 20 GLU HG2 H 2.059 0 . 223 45 20 GLU HG3 H 2.059 0 . 224 45 20 GLU CA C 55.073 0 . 225 45 20 GLU CB C 32.455 0 . 226 45 20 GLU CG C 37.162 0 . 227 45 20 GLU N N 123.837 0 . 228 46 21 PHE H H 9.159 0.001 . 229 46 21 PHE HA H 4.72 0 . 230 46 21 PHE HB2 H 3.009 0 . 231 46 21 PHE HB3 H 2.946 0 . 232 46 21 PHE HD1 H 7.379 0 . 233 46 21 PHE HD2 H 7.379 0 . 234 46 21 PHE HE1 H 7.13 0 . 235 46 21 PHE HE2 H 7.13 0 . 236 46 21 PHE HZ H 6.844 0 . 237 46 21 PHE CA C 57.095 0 . 238 46 21 PHE CB C 41.876 0 . 239 46 21 PHE N N 123.395 0 . 240 47 22 ALA H H 8.638 0 . 241 47 22 ALA HA H 5.427 0 . 242 47 22 ALA HB H 1.206 0 . 243 47 22 ALA CA C 50.266 0 . 244 47 22 ALA CB C 18.363 0 . 245 47 22 ALA N N 126.711 0 . 246 48 23 VAL H H 9.217 0 . 247 48 23 VAL HA H 4.997 0 . 248 48 23 VAL HB H 2.006 0 . 249 48 23 VAL HG1 H 0.765 0 . 250 48 23 VAL HG2 H 0.507 0 . 251 48 23 VAL CA C 57.102 0 . 252 48 23 VAL CB C 34.802 0 . 253 48 23 VAL CG1 C 21.641 0 . 254 48 23 VAL CG2 C 18.22 0 . 255 48 23 VAL N N 120.247 0 . 256 49 24 PRO HA H 4.684 0 . 257 49 24 PRO HB2 H 2.229 0 . 258 49 24 PRO HB3 H 1.898 0 . 259 49 24 PRO HG2 H 2.145 0 . 260 49 24 PRO HG3 H 1.923 0 . 261 49 24 PRO HD2 H 3.84 0 . 262 49 24 PRO HD3 H 3.606 0 . 263 49 24 PRO CA C 62.758 0 . 264 49 24 PRO CB C 32.045 0 . 265 49 24 PRO CG C 28.01 0 . 266 49 24 PRO CD C 50.759 0 . 267 50 25 GLU H H 9.116 0 . 268 50 25 GLU HA H 3.875 0 . 269 50 25 GLU HB2 H 2.151 0 . 270 50 25 GLU HB3 H 1.995 0 . 271 50 25 GLU HG2 H 2.448 0 . 272 50 25 GLU HG3 H 2.095 0 . 273 50 25 GLU CA C 58.15 0 . 274 50 25 GLU CB C 28.533 0 . 275 50 25 GLU CG C 35.07 0 . 276 50 25 GLU N N 122.801 0 . 277 51 26 ASN H H 7.792 0 . 278 51 26 ASN HA H 4.693 0 . 279 51 26 ASN HB2 H 3.209 0 . 280 51 26 ASN HB3 H 2.75 0 . 281 51 26 ASN HD21 H 7.572 0 . 282 51 26 ASN HD22 H 6.807 0 . 283 51 26 ASN CA C 51.547 0 . 284 51 26 ASN CB C 37.172 0 . 285 51 26 ASN N N 113.712 0 . 286 51 26 ASN ND2 N 110.609 0 . 287 52 27 SER H H 7.438 0 . 288 52 27 SER HA H 4.277 0 . 289 52 27 SER HB2 H 3.765 0 . 290 52 27 SER HB3 H 3.724 0 . 291 52 27 SER HG H 5.482 0 . 292 52 27 SER CA C 59.668 0 . 293 52 27 SER CB C 64.731 0 . 294 52 27 SER N N 113.218 0 . 295 53 28 SER H H 8.873 0 . 296 53 28 SER HA H 5.045 0 . 297 53 28 SER HB2 H 4.428 0 . 298 53 28 SER HB3 H 4.091 0 . 299 53 28 SER HG H 5.966 0 . 300 53 28 SER CA C 56.955 0 . 301 53 28 SER CB C 64.98 0 . 302 53 28 SER N N 119.675 0 . 303 54 29 VAL H H 9.192 0 . 304 54 29 VAL HA H 3.509 0 . 305 54 29 VAL HB H 2.644 0 . 306 54 29 VAL HG1 H 0.811 0 . 307 54 29 VAL HG2 H 0.761 0 . 308 54 29 VAL CA C 66.96 0 . 309 54 29 VAL CB C 30.559 0 . 310 54 29 VAL CG1 C 24.989 0 . 311 54 29 VAL CG2 C 21.356 0 . 312 54 29 VAL N N 125.539 0 . 313 55 30 GLN H H 8.826 0 . 314 55 30 GLN HA H 3.822 0 . 315 55 30 GLN HB2 H 2.087 0 . 316 55 30 GLN HB3 H 1.998 0 . 317 55 30 GLN HG2 H 2.292 0 . 318 55 30 GLN HG3 H 2.338 0 . 319 55 30 GLN HE21 H 7.582 0 . 320 55 30 GLN HE22 H 6.713 0 . 321 55 30 GLN CA C 59.851 0 . 322 55 30 GLN CB C 28.794 0 . 323 55 30 GLN CG C 32.91 0 . 324 55 30 GLN N N 121.161 0 . 325 55 30 GLN NE2 N 111.452 0 . 326 56 31 GLN H H 7.943 0 . 327 56 31 GLN HA H 4.031 0 . 328 56 31 GLN HB2 H 2.315 0 . 329 56 31 GLN HB3 H 2.093 0 . 330 56 31 GLN HG2 H 2.479 0 . 331 56 31 GLN HG3 H 2.431 0.003 . 332 56 31 GLN HE21 H 7.609 0 . 333 56 31 GLN HE22 H 6.838 0 . 334 56 31 GLN CA C 58.659 0 . 335 56 31 GLN CB C 28.517 0 . 336 56 31 GLN CG C 34.6 0 . 337 56 31 GLN N N 118.068 0 . 338 56 31 GLN NE2 N 112.024 0 . 339 57 32 PHE H H 8.312 0 . 340 57 32 PHE HA H 4.635 0 . 341 57 32 PHE HB2 H 3.181 0 . 342 57 32 PHE HB3 H 3.026 0 . 343 57 32 PHE HD1 H 6.97 0 . 344 57 32 PHE HD2 H 6.97 0 . 345 57 32 PHE HE1 H 6.702 0 . 346 57 32 PHE HE2 H 6.702 0 . 347 57 32 PHE HZ H 7.085 0 . 348 57 32 PHE CA C 57.812 0 . 349 57 32 PHE CB C 39.011 0 . 350 57 32 PHE N N 123.053 0 . 351 58 33 LYS H H 8.96 0 . 352 58 33 LYS HA H 3.393 0 . 353 58 33 LYS HB2 H 2.073 0 . 354 58 33 LYS HB3 H 1.56 0 . 355 58 33 LYS HG2 H 1.661 0 . 356 58 33 LYS HG3 H 0.764 0 . 357 58 33 LYS HD2 H 1.717 0 . 358 58 33 LYS HD3 H 1.717 0 . 359 58 33 LYS HE2 H 2.683 0 . 360 58 33 LYS HE3 H 2.538 0 . 361 58 33 LYS CA C 60.41 0 . 362 58 33 LYS CB C 33.216 0 . 363 58 33 LYS CG C 28.01 0 . 364 58 33 LYS CD C 30.048 0 . 365 58 33 LYS CE C 41.869 0 . 366 58 33 LYS N N 117.463 0 . 367 59 34 GLU H H 7.728 0 . 368 59 34 GLU HA H 3.82 0 . 369 59 34 GLU HB2 H 2.22 0 . 370 59 34 GLU HB3 H 2.093 0 . 371 59 34 GLU HG2 H 2.474 0 . 372 59 34 GLU HG3 H 2.274 0 . 373 59 34 GLU CA C 59.736 0 . 374 59 34 GLU CB C 28.831 0 . 375 59 34 GLU CG C 36.116 0 . 376 59 34 GLU N N 118.493 0 . 377 60 35 ALA H H 7.439 0 . 378 60 35 ALA HA H 4.233 0 . 379 60 35 ALA HB H 1.601 0 . 380 60 35 ALA CA C 54.852 0 . 381 60 35 ALA CB C 17.653 0 . 382 60 35 ALA N N 122 0 . 383 61 36 ILE H H 7.813 0 . 384 61 36 ILE HA H 3.723 0 . 385 61 36 ILE HB H 1.377 0 . 386 61 36 ILE HG12 H 0.682 0 . 387 61 36 ILE HG13 H 0.122 0 . 388 61 36 ILE HG2 H 0.067 0 . 389 61 36 ILE HD1 H -0.243 0 . 390 61 36 ILE CA C 63.838 0 . 391 61 36 ILE CB C 38.185 0 . 392 61 36 ILE CG1 C 27.225 0 . 393 61 36 ILE CG2 C 17.793 0 . 394 61 36 ILE CD1 C 14.32 0 . 395 61 36 ILE N N 116.805 0 . 396 62 37 SER H H 8.285 0 . 397 62 37 SER HA H 3.871 0 . 398 62 37 SER HB2 H 4.012 0 . 399 62 37 SER HB3 H 3.878 0 . 400 62 37 SER HG H 5.058 0 . 401 62 37 SER CA C 61.835 0 . 402 62 37 SER CB C 62.157 0 . 403 62 37 SER N N 116.287 0 . 404 63 38 LYS H H 7.348 0 . 405 63 38 LYS HA H 4.2 0 . 406 63 38 LYS HB2 H 1.949 0.001 . 407 63 38 LYS HB3 H 1.949 0.001 . 408 63 38 LYS HG2 H 1.656 0 . 409 63 38 LYS HG3 H 1.521 0 . 410 63 38 LYS HD2 H 1.736 0 . 411 63 38 LYS HD3 H 1.736 0 . 412 63 38 LYS HE2 H 3.015 0.002 . 413 63 38 LYS HE3 H 3.015 0.002 . 414 63 38 LYS CA C 58.547 0 . 415 63 38 LYS CB C 31.96 0 . 416 63 38 LYS CG C 25.026 0 . 417 63 38 LYS CD C 28.844 0 . 418 63 38 LYS CE C 41.908 0 . 419 63 38 LYS N N 119.605 0 . 420 64 39 ARG H H 7.734 0 . 421 64 39 ARG HA H 4.16 0 . 422 64 39 ARG HB2 H 2.065 0 . 423 64 39 ARG HB3 H 1.956 0 . 424 64 39 ARG HG2 H 1.281 0 . 425 64 39 ARG HG3 H 1.281 0 . 426 64 39 ARG HD2 H 3.097 0 . 427 64 39 ARG HD3 H 2.951 0 . 428 64 39 ARG CA C 56.774 0 . 429 64 39 ARG CB C 29.056 0 . 430 64 39 ARG CG C 25.395 0 . 431 64 39 ARG CD C 40.561 0 . 432 64 39 ARG N N 120.047 0 . 433 65 40 PHE H H 8.045 0 . 434 65 40 PHE HA H 4.518 0 . 435 65 40 PHE HB2 H 3.286 0 . 436 65 40 PHE HB3 H 2.451 0 . 437 65 40 PHE HD1 H 7.342 0 . 438 65 40 PHE HD2 H 7.342 0 . 439 65 40 PHE HE1 H 7.093 0 . 440 65 40 PHE HE2 H 7.093 0 . 441 65 40 PHE HZ H 6.995 0 . 442 65 40 PHE CA C 58.345 0 . 443 65 40 PHE CB C 37.997 0 . 444 65 40 PHE N N 114.3 0 . 445 66 41 LYS H H 7.863 0 . 446 66 41 LYS HA H 4.049 0 . 447 66 41 LYS HB2 H 2.026 0.002 . 448 66 41 LYS HB3 H 1.885 0 . 449 66 41 LYS HG2 H 1.358 0 . 450 66 41 LYS HG3 H 1.358 0 . 451 66 41 LYS HD2 H 1.73 0 . 452 66 41 LYS HD3 H 1.664 0 . 453 66 41 LYS HE2 H 3.003 0 . 454 66 41 LYS HE3 H 3.003 0 . 455 66 41 LYS CA C 57.045 0 . 456 66 41 LYS CB C 29.317 0 . 457 66 41 LYS CG C 24.872 0 . 458 66 41 LYS CD C 29.056 0 . 459 66 41 LYS CE C 41.869 0 . 460 66 41 LYS N N 118.906 0 . 461 67 42 SER H H 7.947 0 . 462 67 42 SER HA H 4.866 0 . 463 67 42 SER HB2 H 3.556 0 . 464 67 42 SER HB3 H 3.381 0.002 . 465 67 42 SER CA C 56.774 0 . 466 67 42 SER CB C 66.879 0 . 467 67 42 SER N N 112.614 0 . 468 68 43 GLN H H 8.665 0 . 469 68 43 GLN HA H 4.568 0 . 470 68 43 GLN HB2 H 2.345 0 . 471 68 43 GLN HB3 H 2 0 . 472 68 43 GLN HG2 H 2.47 0 . 473 68 43 GLN HG3 H 2.428 0 . 474 68 43 GLN HE21 H 7.808 0 . 475 68 43 GLN HE22 H 6.815 0 . 476 68 43 GLN CA C 55.01 0 . 477 68 43 GLN CB C 29.84 0 . 478 68 43 GLN CG C 34.024 0 . 479 68 43 GLN N N 120.588 0 . 480 68 43 GLN NE2 N 113.562 0 . 481 69 44 THR H H 8.94 0 . 482 69 44 THR HA H 3.646 0 . 483 69 44 THR HB H 4.173 0 . 484 69 44 THR HG2 H 1.235 0 . 485 69 44 THR CA C 66.115 0 . 486 69 44 THR CB C 67.624 0 . 487 69 44 THR CG2 C 22.496 0 . 488 69 44 THR N N 114.837 0 . 489 70 45 ASP H H 8.314 0 . 490 70 45 ASP HA H 4.42 0 . 491 70 45 ASP HB2 H 2.708 0 . 492 70 45 ASP HB3 H 2.646 0 . 493 70 45 ASP CA C 55.313 0 . 494 70 45 ASP CB C 39.813 0 . 495 70 45 ASP N N 117.7 0 . 496 71 46 GLN H H 7.568 0 . 497 71 46 GLN HA H 4.314 0 . 498 71 46 GLN HB2 H 2.48 0 . 499 71 46 GLN HB3 H 2.1 0 . 500 71 46 GLN HG2 H 2.399 0 . 501 71 46 GLN HG3 H 2.194 0 . 502 71 46 GLN HE21 H 7.855 0 . 503 71 46 GLN HE22 H 6.752 0 . 504 71 46 GLN CA C 55.555 0 . 505 71 46 GLN CB C 31.046 0 . 506 71 46 GLN CG C 35.321 0 . 507 71 46 GLN N N 116 0 . 508 71 46 GLN NE2 N 112.437 0 . 509 72 47 LEU H H 7.151 0 . 510 72 47 LEU HA H 4.392 0 . 511 72 47 LEU HB2 H 1.721 0 . 512 72 47 LEU HB3 H 0.854 0 . 513 72 47 LEU HG H 1.949 0 . 514 72 47 LEU HD1 H 0.622 0 . 515 72 47 LEU HD2 H 0.603 0 . 516 72 47 LEU CA C 54.453 0 . 517 72 47 LEU CB C 42.019 0 . 518 72 47 LEU CG C 25.395 0 . 519 72 47 LEU CD1 C 27.198 0 . 520 72 47 LEU CD2 C 22.638 0 . 521 72 47 LEU N N 115.963 0 . 522 73 48 VAL H H 8.669 0 . 523 73 48 VAL HA H 4.03 0 . 524 73 48 VAL HB H 2.076 0 . 525 73 48 VAL HG1 H 0.783 0 . 526 73 48 VAL HG2 H 0.83 0 . 527 73 48 VAL CA C 61.762 0 . 528 73 48 VAL CB C 33.414 0 . 529 73 48 VAL CG1 C 20.426 0 . 530 73 48 VAL CG2 C 21.486 0 . 531 73 48 VAL N N 125.095 0 . 532 74 49 LEU H H 8.693 0 . 533 74 49 LEU HA H 5.213 0 . 534 74 49 LEU HB2 H 1.394 0 . 535 74 49 LEU HB3 H 1.18 0 . 536 74 49 LEU HG H 1.31 0 . 537 74 49 LEU HD1 H 0.684 0 . 538 74 49 LEU HD2 H 0.66 0 . 539 74 49 LEU CA C 52.938 0 . 540 74 49 LEU CB C 45.268 0 . 541 74 49 LEU CG C 26.964 0 . 542 74 49 LEU CD1 C 26.859 0 . 543 74 49 LEU CD2 C 24.776 0 . 544 74 49 LEU N N 126.391 0 . 545 75 50 ILE H H 9.189 0 . 546 75 50 ILE HA H 5.084 0 . 547 75 50 ILE HB H 1.48 0 . 548 75 50 ILE HG12 H 1.317 0 . 549 75 50 ILE HG13 H 0.824 0 . 550 75 50 ILE HG2 H 0.617 0 . 551 75 50 ILE HD1 H 0.678 0 . 552 75 50 ILE CA C 59.874 0 . 553 75 50 ILE CB C 42.675 0 . 554 75 50 ILE CG1 C 29.478 0 . 555 75 50 ILE CG2 C 18.87 0 . 556 75 50 ILE CD1 C 16.072 0 . 557 75 50 ILE N N 122.993 0 . 558 76 51 PHE H H 8.674 0 . 559 76 51 PHE HA H 5.018 0 . 560 76 51 PHE HB2 H 2.951 0 . 561 76 51 PHE HB3 H 2.702 0 . 562 76 51 PHE HD1 H 7.406 0 . 563 76 51 PHE HD2 H 7.406 0 . 564 76 51 PHE HE1 H 6.919 0 . 565 76 51 PHE HE2 H 6.919 0 . 566 76 51 PHE HZ H 7.563 0 . 567 76 51 PHE CA C 57.035 0 . 568 76 51 PHE CB C 44.024 0 . 569 76 51 PHE N N 124.962 0 . 570 77 52 ALA H H 8.781 0 . 571 77 52 ALA HA H 3.266 0 . 572 77 52 ALA HB H 1.066 0 . 573 77 52 ALA CA C 52.61 0 . 574 77 52 ALA CB C 17.579 0 . 575 77 52 ALA N N 132.947 0 . 576 78 53 GLY H H 8.184 0 . 577 78 53 GLY HA2 H 3.308 0 . 578 78 53 GLY HA3 H 4.004 0 . 579 78 53 GLY CA C 45.28 0 . 580 78 53 GLY N N 100.774 0 . 581 79 54 LYS H H 7.772 0.002 . 582 79 54 LYS HA H 4.585 0.001 . 583 79 54 LYS HB2 H 1.858 0 . 584 79 54 LYS HB3 H 1.788 0 . 585 79 54 LYS HG2 H 1.468 0.002 . 586 79 54 LYS HG3 H 1.468 0.002 . 587 79 54 LYS HD2 H 1.874 0.001 . 588 79 54 LYS HD3 H 1.788 0 . 589 79 54 LYS HE2 H 3.09 0 . 590 79 54 LYS HE3 H 3.09 0 . 591 79 54 LYS CA C 54.42 0 . 592 79 54 LYS CB C 34.285 0 . 593 79 54 LYS CG C 24.349 0 . 594 79 54 LYS CD C 29.193 0 . 595 79 54 LYS CE C 41.607 0 . 596 79 54 LYS N N 118.493 0 . 597 80 55 ILE H H 8.28 0.001 . 598 80 55 ILE HA H 4.275 0 . 599 80 55 ILE HB H 1.622 0 . 600 80 55 ILE HG12 H 1.546 0 . 601 80 55 ILE HG13 H 0.754 0 . 602 80 55 ILE HG2 H 0.85 0 . 603 80 55 ILE HD1 H 0.823 0 . 604 80 55 ILE CA C 60.986 0 . 605 80 55 ILE CB C 38.122 0 . 606 80 55 ILE CG1 C 28.533 0 . 607 80 55 ILE CG2 C 17.65 0 . 608 80 55 ILE CD1 C 13.803 0 . 609 80 55 ILE N N 120.743 0 . 610 81 56 LEU H H 8.673 0 . 611 81 56 LEU HA H 4.008 0 . 612 81 56 LEU HB2 H 1.519 0 . 613 81 56 LEU HB3 H 1.207 0 . 614 81 56 LEU HG H 1.404 0 . 615 81 56 LEU HD1 H 0.515 0.001 . 616 81 56 LEU HD2 H 0.076 0 . 617 81 56 LEU CA C 54.807 0 . 618 81 56 LEU CB C 41.869 0 . 619 81 56 LEU CG C 26.179 0 . 620 81 56 LEU CD1 C 25.061 0 . 621 81 56 LEU CD2 C 20.073 0 . 622 81 56 LEU N N 128.19 0 . 623 82 57 LYS H H 8.145 0 . 624 82 57 LYS HA H 4.502 0.001 . 625 82 57 LYS HB2 H 1.874 0.001 . 626 82 57 LYS HB3 H 1.874 0.001 . 627 82 57 LYS HG2 H 1.647 0.002 . 628 82 57 LYS HG3 H 1.461 0.001 . 629 82 57 LYS HD2 H 1.771 0 . 630 82 57 LYS HD3 H 1.771 0 . 631 82 57 LYS HE2 H 3.086 0 . 632 82 57 LYS HE3 H 3.086 0 . 633 82 57 LYS CA C 55.205 0 . 634 82 57 LYS CB C 32.974 0 . 635 82 57 LYS CG C 24.872 0 . 636 82 57 LYS CD C 29.056 0 . 637 82 57 LYS CE C 41.734 0 . 638 82 57 LYS N N 123.093 0 . 639 83 58 ASP H H 8.384 0 . 640 83 58 ASP HA H 4.213 0 . 641 83 58 ASP HB2 H 2.63 0 . 642 83 58 ASP HB3 H 2.56 0 . 643 83 58 ASP CA C 57.941 0 . 644 83 58 ASP CB C 40.592 0 . 645 83 58 ASP N N 121.011 0 . 646 84 59 GLN H H 8.252 0 . 647 84 59 GLN HA H 4.452 0 . 648 84 59 GLN HB2 H 2.262 0 . 649 84 59 GLN HB3 H 2.116 0 . 650 84 59 GLN HG2 H 2.464 0 . 651 84 59 GLN HG3 H 2.464 0 . 652 84 59 GLN HE21 H 7.677 0 . 653 84 59 GLN HE22 H 6.91 0 . 654 84 59 GLN CA C 55.974 0 . 655 84 59 GLN CB C 28.088 0 . 656 84 59 GLN CG C 33.501 0 . 657 84 59 GLN N N 113.173 0 . 658 84 59 GLN NE2 N 113 0 . 659 85 60 ASP H H 7.777 0 . 660 85 60 ASP HA H 4.835 0 . 661 85 60 ASP HB2 H 3.164 0 . 662 85 60 ASP HB3 H 2.715 0 . 663 85 60 ASP CA C 54.006 0 . 664 85 60 ASP CB C 41.827 0 . 665 85 60 ASP N N 122.199 0 . 666 86 61 THR H H 8.273 0 . 667 86 61 THR HA H 5.157 0 . 668 86 61 THR HB H 4.247 0.001 . 669 86 61 THR HG2 H 1.176 0 . 670 86 61 THR CA C 59.181 0 . 671 86 61 THR CB C 71.925 0 . 672 86 61 THR CG2 C 21.356 0 . 673 86 61 THR N N 107.504 0 . 674 87 62 LEU H H 7.849 0 . 675 87 62 LEU HA H 3.875 0 . 676 87 62 LEU HB2 H 1.875 0 . 677 87 62 LEU HB3 H 1.324 0 . 678 87 62 LEU HG H 1.563 0 . 679 87 62 LEU HD1 H 0.371 0 . 680 87 62 LEU HD2 H 0.3 0 . 681 87 62 LEU CA C 58.39 0 . 682 87 62 LEU CB C 38.76 0 . 683 87 62 LEU CG C 26.964 0 . 684 87 62 LEU CD1 C 25.291 0 . 685 87 62 LEU CD2 C 21.734 0 . 686 87 62 LEU N N 117.394 0 . 687 88 63 ILE H H 7.584 0 . 688 88 63 ILE HA H 3.941 0 . 689 88 63 ILE HB H 1.723 0 . 690 88 63 ILE HG12 H 1.55 0 . 691 88 63 ILE HG13 H 1.16 0 . 692 88 63 ILE HG2 H 0.902 0 . 693 88 63 ILE HD1 H 0.827 0 . 694 88 63 ILE CA C 63.612 0 . 695 88 63 ILE CB C 37.816 0 . 696 88 63 ILE CG1 C 29.056 0 . 697 88 63 ILE CG2 C 16.51 0 . 698 88 63 ILE CD1 C 13.889 0 . 699 88 63 ILE N N 117.156 0 . 700 89 64 GLN H H 7.686 0 . 701 89 64 GLN HA H 4.037 0 . 702 89 64 GLN HB2 H 2.166 0 . 703 89 64 GLN HB3 H 1.996 0 . 704 89 64 GLN HG2 H 2.205 0 . 705 89 64 GLN HG3 H 1.864 0 . 706 89 64 GLN HE21 H 7.296 0 . 707 89 64 GLN HE22 H 6.547 0 . 708 89 64 GLN CA C 58.2 0 . 709 89 64 GLN CB C 28.533 0 . 710 89 64 GLN CG C 32.946 0 . 711 89 64 GLN N N 123.647 0 . 712 89 64 GLN NE2 N 110.609 0 . 713 90 65 HIS H H 6.914 0 . 714 90 65 HIS HA H 4.53 0 . 715 90 65 HIS HB2 H 3.306 0 . 716 90 65 HIS HB3 H 2.585 0 . 717 90 65 HIS HD2 H 7.062 0.001 . 718 90 65 HIS HE1 H 7.74 0 . 719 90 65 HIS CA C 56.987 0 . 720 90 65 HIS CB C 33.24 0 . 721 90 65 HIS N N 115.118 0 . 722 91 66 GLY H H 7.876 0 . 723 91 66 GLY HA2 H 3.552 0 . 724 91 66 GLY HA3 H 3.998 0 . 725 91 66 GLY CA C 45.53 0 . 726 91 66 GLY N N 107.235 0 . 727 92 67 ILE H H 7.093 0 . 728 92 67 ILE HA H 3.084 0 . 729 92 67 ILE HB H 1.246 0 . 730 92 67 ILE HG12 H 0.595 0 . 731 92 67 ILE HG13 H -1.078 0 . 732 92 67 ILE HG2 H 0.269 0 . 733 92 67 ILE HD1 H 0.301 0 . 734 92 67 ILE CA C 61.481 0 . 735 92 67 ILE CB C 35.423 0 . 736 92 67 ILE CG1 C 26.179 0 . 737 92 67 ILE CG2 C 17.365 0 . 738 92 67 ILE CD1 C 14.627 0 . 739 92 67 ILE N N 119.672 0 . 740 93 68 HIS H H 6.048 0 . 741 93 68 HIS HA H 4.686 0 . 742 93 68 HIS HB2 H 3.271 0 . 743 93 68 HIS HB3 H 3.053 0 . 744 93 68 HIS HD2 H 6.942 0 . 745 93 68 HIS HE1 H 6.945 0 . 746 93 68 HIS CA C 52.951 0 . 747 93 68 HIS CB C 32.194 0 . 748 93 68 HIS N N 121.547 0 . 749 94 69 ASP H H 8.463 0 . 750 94 69 ASP HA H 4.387 0 . 751 94 69 ASP HB2 H 2.669 0 . 752 94 69 ASP HB3 H 2.669 0 . 753 94 69 ASP CA C 56.612 0 . 754 94 69 ASP CB C 42.705 0 . 755 94 69 ASP N N 116.516 0 . 756 95 70 GLY H H 9.441 0 . 757 95 70 GLY HA2 H 4.285 0 . 758 95 70 GLY HA3 H 3.824 0 . 759 95 70 GLY CA C 45.007 0 . 760 95 70 GLY N N 112.42 0 . 761 96 71 LEU H H 7.674 0 . 762 96 71 LEU HA H 4.751 0 . 763 96 71 LEU HB2 H 2.033 0 . 764 96 71 LEU HB3 H 1.955 0 . 765 96 71 LEU HG H 1.587 0 . 766 96 71 LEU HD1 H 1.08 0 . 767 96 71 LEU HD2 H 0.967 0 . 768 96 71 LEU CA C 54.008 0 . 769 96 71 LEU CB C 42.152 0 . 770 96 71 LEU CG C 26.702 0 . 771 96 71 LEU CD1 C 26.913 0 . 772 96 71 LEU CD2 C 22.353 0 . 773 96 71 LEU N N 119.899 0 . 774 97 72 THR H H 8.132 0 . 775 97 72 THR HA H 5.304 0 . 776 97 72 THR HB H 3.961 0 . 777 97 72 THR HG2 H 0.709 0 . 778 97 72 THR CA C 61.615 0 . 779 97 72 THR CB C 70.886 0 . 780 97 72 THR CG2 C 21.783 0 . 781 97 72 THR N N 114.91 0 . 782 98 73 VAL H H 9.388 0 . 783 98 73 VAL HA H 4.665 0 . 784 98 73 VAL HB H 1.988 0 . 785 98 73 VAL HG1 H 0.959 0 . 786 98 73 VAL HG2 H 0.851 0 . 787 98 73 VAL CA C 60.459 0 . 788 98 73 VAL CB C 34.285 0 . 789 98 73 VAL CG1 C 22.518 0 . 790 98 73 VAL CG2 C 22.781 0 . 791 98 73 VAL N N 124.619 0 . 792 99 74 HIS H H 8.941 0 . 793 99 74 HIS HA H 4.921 0 . 794 99 74 HIS HB2 H 2.946 0 . 795 99 74 HIS HB3 H 2.905 0 . 796 99 74 HIS CA C 56.811 0 . 797 99 74 HIS CB C 30.903 0 . 798 99 74 HIS N N 125.252 0 . 799 100 75 LEU H H 8.444 0 . 800 100 75 LEU HA H 5.282 0 . 801 100 75 LEU HB2 H 1.21 0 . 802 100 75 LEU HB3 H 0.759 0 . 803 100 75 LEU HG H 0.939 0 . 804 100 75 LEU HD1 H -0.18 0 . 805 100 75 LEU HD2 H 0.606 0 . 806 100 75 LEU CA C 52.876 0 . 807 100 75 LEU CB C 45.268 0 . 808 100 75 LEU CG C 27.225 0 . 809 100 75 LEU CD1 C 25.488 0 . 810 100 75 LEU CD2 C 24.491 0 . 811 100 75 LEU N N 123.521 0 . 812 101 76 VAL H H 9.002 0 . 813 101 76 VAL HA H 4.143 0 . 814 101 76 VAL HB H 1.714 0 . 815 101 76 VAL HG1 H 0.771 0 . 816 101 76 VAL HG2 H 0.765 0 . 817 101 76 VAL CA C 61.289 0 . 818 101 76 VAL CB C 34.481 0 . 819 101 76 VAL CG1 C 20.949 0 . 820 101 76 VAL CG2 C 22.353 0 . 821 101 76 VAL N N 128.055 0 . 822 102 77 ILE H H 8.191 0 . 823 102 77 ILE HA H 4.523 0 . 824 102 77 ILE HB H 1.683 0 . 825 102 77 ILE HG12 H 1.331 0 . 826 102 77 ILE HG13 H 0.594 0 . 827 102 77 ILE HG2 H 0.867 0 . 828 102 77 ILE HD1 H 0.717 0 . 829 102 77 ILE CA C 60.607 0 . 830 102 77 ILE CB C 38.499 0 . 831 102 77 ILE CG1 C 27.487 0 . 832 102 77 ILE CG2 C 17.462 0 . 833 102 77 ILE CD1 C 13.212 0 . 834 102 77 ILE N N 126.649 0 . 835 103 78 LYS H H 9.053 0 . 836 103 78 LYS HA H 4.148 0 . 837 103 78 LYS HB2 H 1.801 0 . 838 103 78 LYS HB3 H 1.657 0 . 839 103 78 LYS HG2 H 1.365 0 . 840 103 78 LYS HG3 H 1.292 0 . 841 103 78 LYS HD2 H 1.589 0 . 842 103 78 LYS HD3 H 1.589 0 . 843 103 78 LYS HE2 H 2.903 0 . 844 103 78 LYS HE3 H 2.783 0 . 845 103 78 LYS CA C 57.339 0 . 846 103 78 LYS CB C 33.326 0 . 847 103 78 LYS CG C 24.776 0 . 848 103 78 LYS CD C 28.908 0 . 849 103 78 LYS CE C 41.306 0 . 850 103 78 LYS N N 134.524 0 . stop_ save_