data_34131 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6 ; _BMRB_accession_number 34131 _BMRB_flat_file_name bmr34131.str _Entry_type original _Submission_date 2017-05-06 _Accession_date 2017-12-01 _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 Russo L. . . 2 Becker S. . . 3 Griesinger C. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 922 "13C chemical shifts" 645 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-26 update BMRB 'update entry citation' 2017-12-04 original author 'original release' stop_ _Original_release_date 2017-12-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29203888 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Russo L. . . 2 Giller K. . . 3 Pfitzner E. . . 4 Griesinger C. . . 5 Becker S. . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 7 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16845 _Page_last 16845 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Nuclear receptor coactivator 1 (E.C.2.3.1.48), Signal transducer and activator of transcription 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_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 14811.774 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; GHMTGVESFMTKQDTTGKII SIDTSSLRAAGRTGWEDLVR KCIYAFFQPQGREPSYARQL FQEVMTRGTASSPSYRFILN DGTMLSAHTRCKLCYPQSPD MQPFIMGIHIIDREHSGLSP QDDTNSGMSIPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 254 GLY 2 255 HIS 3 256 MET 4 257 THR 5 258 GLY 6 259 VAL 7 260 GLU 8 261 SER 9 262 PHE 10 263 MET 11 264 THR 12 265 LYS 13 266 GLN 14 267 ASP 15 268 THR 16 269 THR 17 270 GLY 18 271 LYS 19 272 ILE 20 273 ILE 21 274 SER 22 275 ILE 23 276 ASP 24 277 THR 25 278 SER 26 279 SER 27 280 LEU 28 281 ARG 29 282 ALA 30 283 ALA 31 284 GLY 32 285 ARG 33 286 THR 34 287 GLY 35 288 TRP 36 289 GLU 37 290 ASP 38 291 LEU 39 292 VAL 40 293 ARG 41 294 LYS 42 295 CYS 43 296 ILE 44 297 TYR 45 298 ALA 46 299 PHE 47 300 PHE 48 301 GLN 49 302 PRO 50 303 GLN 51 304 GLY 52 305 ARG 53 306 GLU 54 307 PRO 55 308 SER 56 309 TYR 57 310 ALA 58 311 ARG 59 312 GLN 60 313 LEU 61 314 PHE 62 315 GLN 63 316 GLU 64 317 VAL 65 318 MET 66 319 THR 67 320 ARG 68 321 GLY 69 322 THR 70 323 ALA 71 324 SER 72 325 SER 73 326 PRO 74 327 SER 75 328 TYR 76 329 ARG 77 330 PHE 78 331 ILE 79 332 LEU 80 333 ASN 81 334 ASP 82 335 GLY 83 336 THR 84 337 MET 85 338 LEU 86 339 SER 87 340 ALA 88 341 HIS 89 342 THR 90 343 ARG 91 344 CYS 92 345 LYS 93 346 LEU 94 347 CYS 95 348 TYR 96 349 PRO 97 350 GLN 98 351 SER 99 352 PRO 100 353 ASP 101 354 MET 102 355 GLN 103 356 PRO 104 357 PHE 105 358 ILE 106 359 MET 107 360 GLY 108 361 ILE 109 362 HIS 110 363 ILE 111 364 ILE 112 365 ASP 113 366 ARG 114 367 GLU 115 368 HIS 116 369 SER 117 370 GLY 118 371 LEU 119 372 SER 120 373 PRO 121 374 GLN 122 375 ASP 123 376 ASP 124 377 THR 125 378 ASN 126 379 SER 127 380 GLY 128 381 MET 129 382 SER 130 383 ILE 131 384 PRO 132 385 ARG 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 3452.837 _Mol_thiol_state 'not present' _Details . _Residue_count 32 _Mol_residue_sequence ; GTWIGEDIFPPLLPPTEQDL TKLLLEGQGESG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 783 GLY 2 784 THR 3 785 TRP 4 786 ILE 5 787 GLY 6 788 GLU 7 789 ASP 8 790 ILE 9 791 PHE 10 792 PRO 11 793 PRO 12 794 LEU 13 795 LEU 14 796 PRO 15 797 PRO 16 798 THR 17 799 GLU 18 800 GLN 19 801 ASP 20 802 LEU 21 803 THR 22 804 LYS 23 805 LEU 24 806 LEU 25 807 LEU 26 808 GLU 27 809 GLY 28 810 GLN 29 811 GLY 30 812 GLU 31 813 SER 32 814 GLY 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 'NCOA1, BHLHE74, SRC1' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens STAT6 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 '50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 1 mM [U-99% 13C; U-99% 15N] STAT6, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % 'natural abundance' $entity_2 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-99% 13C; U-99% 15N] STAT6, 0.7 mM NCoA1, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % 'natural abundance' $entity_2 1 mM '[U-99% 13C; U-99% 15N]' $entity_1 0.7 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.7 mM [U-99% 13C; U-99% 15N] NCoA1, 1 mM STAT6, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % 'natural abundance' $entity_2 1 mM 'natural abundance' $entity_1 0.7 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type 'filamentous virus' _Details '1 mM [U-99% 15N] STAT6, 0.7 mM NCoA1, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % 'natural abundance' $entity_2 1 mM '[U-99% 15N]' $entity_1 0.7 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type 'filamentous virus' _Details '0.7 mM [U-99% 15N] NCoA1, 1 mM STAT6, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % 'natural abundance' $entity_2 1 mM 'natural abundance' $entity_1 0.7 mM '[U-99% 15N]' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type 'filamentous virus' _Details '1 mM [U-99% 15N] STAT6, 50 mM HEPES, 150 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % 'natural abundance' $entity_2 1 mM '[U-99% 15N]' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-99% 13C; U-99% 15N] STAT6, 0.7 mM NCoA1, 50 mM HEPES, 150 mM sodium chloride, 100 % D2O, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 100 % 'natural abundance' $entity_2 1 mM '[U-99% 13C; U-99% 15N]' $entity_1 0.7 mM 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details '0.7 mM [U-99% 13C; U-99% 15N] NCoA1, 1 mM STAT6, 50 mM HEPES, 150 mM sodium chloride, 100 % D2O, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 100 % 'natural abundance' $entity_2 1 mM 'natural abundance' $entity_1 0.7 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _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_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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 SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details 'room temperature probe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details 'room temperature probe' save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details cryoprobe save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details cryoprobe save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details cryoprobe save_ save_NMR_spectrometer_6 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 900 _Details cryoprobe 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCACB_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_7 save_ save_3D_HNHA_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHA_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_7 save_ save_3D_1H-13C_NOESY_aliphatic_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_7 save_ save_3D_HNCA_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCO_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_8 save_ save_3D_HNHA_30 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_31 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_8 save_ save_3D_1H-13C_NOESY_aliphatic_32 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC_33 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_34 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_35 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_3D_1H,13C-edited/12C-filter_NOESY_36 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H,13C-edited/12C-filter NOESY' _Sample_label $sample_7 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' 150 . mM pH 7.0 . pH pressure 1 . atm temperature 309 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D CBCA(CO)NH' '3D HNCA' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H,13C-edited/12C-filter NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_7 $sample_8 $sample_5 $sample_4 $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 1 257 4 THR H H 8.100 0.020 1 2 257 4 THR HA H 4.353 0.020 1 3 257 4 THR HG2 H 1.110 0.020 1 4 257 4 THR C C 174.666 0.3 1 5 257 4 THR CA C 61.838 0.3 1 6 257 4 THR CB C 69.234 0.3 1 7 257 4 THR N N 115.223 0.3 1 8 258 5 GLY H H 8.387 0.020 1 9 258 5 GLY HA2 H 3.921 0.020 1 10 258 5 GLY HA3 H 3.921 0.020 1 11 258 5 GLY C C 173.392 0.3 1 12 258 5 GLY CA C 45.271 0.3 1 13 258 5 GLY N N 111.497 0.3 1 14 259 6 VAL H H 7.796 0.020 1 15 259 6 VAL HA H 4.255 0.020 1 16 259 6 VAL HB H 1.991 0.020 1 17 259 6 VAL HG1 H 0.820 0.020 1 18 259 6 VAL HG2 H 0.820 0.020 1 19 259 6 VAL C C 175.611 0.3 1 20 259 6 VAL CA C 61.492 0.3 1 21 259 6 VAL CB C 33.295 0.3 1 22 259 6 VAL CG1 C 20.396 0.3 1 23 259 6 VAL N N 118.304 0.3 1 24 260 7 GLU H H 8.864 0.020 1 25 260 7 GLU HA H 4.449 0.020 1 26 260 7 GLU HB2 H 1.961 0.020 1 27 260 7 GLU HB3 H 1.961 0.020 1 28 260 7 GLU HG2 H 2.293 0.020 2 29 260 7 GLU HG3 H 2.191 0.020 2 30 260 7 GLU C C 173.846 0.3 1 31 260 7 GLU CA C 55.877 0.3 1 32 260 7 GLU CB C 31.559 0.3 1 33 260 7 GLU CG C 36.223 0.3 1 34 260 7 GLU N N 127.078 0.3 1 35 261 8 SER H H 7.996 0.020 1 36 261 8 SER HA H 5.647 0.020 1 37 261 8 SER HB2 H 3.667 0.020 2 38 261 8 SER HB3 H 3.562 0.020 2 39 261 8 SER C C 172.145 0.3 1 40 261 8 SER CA C 56.677 0.3 1 41 261 8 SER CB C 66.720 0.3 1 42 261 8 SER N N 115.610 0.3 1 43 262 9 PHE H H 8.326 0.020 1 44 262 9 PHE HA H 5.035 0.020 1 45 262 9 PHE HB2 H 3.540 0.020 2 46 262 9 PHE HB3 H 3.431 0.020 2 47 262 9 PHE HD1 H 6.851 0.020 1 48 262 9 PHE HD2 H 6.851 0.020 1 49 262 9 PHE HE1 H 7.168 0.020 1 50 262 9 PHE HE2 H 7.168 0.020 1 51 262 9 PHE C C 171.880 0.3 1 52 262 9 PHE CA C 56.516 0.3 1 53 262 9 PHE CB C 40.959 0.3 1 54 262 9 PHE CD1 C 130.458 0.3 1 55 262 9 PHE CE1 C 129.833 0.3 1 56 262 9 PHE N N 112.830 0.3 1 57 263 10 MET H H 8.379 0.020 1 58 263 10 MET HA H 5.933 0.020 1 59 263 10 MET HB2 H 2.212 0.020 2 60 263 10 MET HB3 H 2.088 0.020 2 61 263 10 MET HG2 H 2.632 0.020 2 62 263 10 MET HG3 H 2.554 0.020 2 63 263 10 MET C C 176.103 0.3 1 64 263 10 MET CA C 53.790 0.3 1 65 263 10 MET CB C 37.659 0.3 1 66 263 10 MET CG C 32.281 0.3 1 67 263 10 MET N N 118.244 0.3 1 68 264 11 THR H H 9.688 0.020 1 69 264 11 THR HA H 5.262 0.020 1 70 264 11 THR HB H 4.344 0.020 1 71 264 11 THR HG1 H -1.601 0.020 1 72 264 11 THR HG2 H 1.314 0.020 1 73 264 11 THR C C 171.804 0.3 1 74 264 11 THR CA C 59.475 0.3 1 75 264 11 THR CB C 72.597 0.3 1 76 264 11 THR CG2 C 22.123 0.3 1 77 264 11 THR N N 112.070 0.3 1 78 265 12 LYS H H 8.382 0.020 1 79 265 12 LYS HA H 5.448 0.020 1 80 265 12 LYS HB2 H 1.585 0.020 2 81 265 12 LYS HB3 H 1.478 0.020 2 82 265 12 LYS HG2 H 1.396 0.020 2 83 265 12 LYS HG3 H 1.161 0.020 2 84 265 12 LYS HD2 H 1.088 0.020 2 85 265 12 LYS HD3 H 0.901 0.020 2 86 265 12 LYS HE2 H 2.935 0.020 2 87 265 12 LYS HE3 H 2.889 0.020 2 88 265 12 LYS C C 176.241 0.3 1 89 265 12 LYS CA C 55.523 0.3 1 90 265 12 LYS CB C 35.694 0.3 1 91 265 12 LYS CG C 25.840 0.3 1 92 265 12 LYS CD C 29.142 0.3 1 93 265 12 LYS CE C 41.813 0.3 1 94 265 12 LYS N N 119.286 0.3 1 95 266 13 GLN H H 9.242 0.020 1 96 266 13 GLN HA H 5.754 0.020 1 97 266 13 GLN HB2 H 2.107 0.020 2 98 266 13 GLN HB3 H 2.029 0.020 2 99 266 13 GLN HG2 H 2.169 0.020 2 100 266 13 GLN HG3 H 2.041 0.020 2 101 266 13 GLN HE21 H 7.486 0.020 1 102 266 13 GLN HE22 H 6.748 0.020 1 103 266 13 GLN C C 176.052 0.3 1 104 266 13 GLN CA C 53.291 0.3 1 105 266 13 GLN CB C 35.857 0.3 1 106 266 13 GLN CG C 37.093 0.3 1 107 266 13 GLN N N 123.210 0.3 1 108 266 13 GLN NE2 N 112.504 0.3 1 109 267 14 ASP H H 8.510 0.020 1 110 267 14 ASP HA H 5.079 0.020 1 111 267 14 ASP HB2 H 2.705 0.020 2 112 267 14 ASP HB3 H 2.679 0.020 2 113 267 14 ASP C C 177.502 0.3 1 114 267 14 ASP CA C 52.215 0.3 1 115 267 14 ASP CB C 41.074 0.3 1 116 267 14 ASP N N 119.897 0.3 1 117 268 15 THR H H 8.071 0.020 1 118 268 15 THR HA H 4.193 0.020 1 119 268 15 THR HB H 3.560 0.020 1 120 268 15 THR HG2 H 1.130 0.020 1 121 268 15 THR C C 174.502 0.3 1 122 268 15 THR CA C 63.912 0.3 1 123 268 15 THR CB C 67.193 0.3 1 124 268 15 THR CG2 C 21.496 0.3 1 125 268 15 THR N N 104.376 0.3 1 126 269 16 THR H H 8.723 0.020 1 127 269 16 THR HA H 4.608 0.020 1 128 269 16 THR HB H 4.148 0.020 1 129 269 16 THR HG1 H -1.636 0.020 1 130 269 16 THR HG2 H 1.146 0.020 1 131 269 16 THR C C 175.069 0.3 1 132 269 16 THR CA C 62.003 0.3 1 133 269 16 THR CB C 69.541 0.3 1 134 269 16 THR CG2 C 21.365 0.3 1 135 269 16 THR N N 110.986 0.3 1 136 270 17 GLY H H 8.324 0.020 1 137 270 17 GLY HA2 H 3.748 0.020 2 138 270 17 GLY HA3 H 3.056 0.020 2 139 270 17 GLY C C 173.569 0.3 1 140 270 17 GLY CA C 44.390 0.3 1 141 270 17 GLY N N 110.406 0.3 1 142 271 18 LYS H H 7.497 0.020 1 143 271 18 LYS HA H 4.221 0.020 1 144 271 18 LYS HB2 H 2.187 0.020 2 145 271 18 LYS HB3 H 2.136 0.020 2 146 271 18 LYS HG2 H 1.614 0.020 1 147 271 18 LYS HG3 H 1.614 0.020 1 148 271 18 LYS HD2 H 1.481 0.020 1 149 271 18 LYS HD3 H 1.481 0.020 1 150 271 18 LYS HE2 H 3.141 0.020 1 151 271 18 LYS HE3 H 3.141 0.020 1 152 271 18 LYS C C 176.758 0.3 1 153 271 18 LYS CA C 56.277 0.3 1 154 271 18 LYS CB C 33.239 0.3 1 155 271 18 LYS CG C 27.282 0.3 1 156 271 18 LYS CD C 39.731 0.3 1 157 271 18 LYS CE C 43.073 0.3 1 158 271 18 LYS N N 124.848 0.3 1 159 272 19 ILE H H 9.148 0.020 1 160 272 19 ILE HA H 4.163 0.020 1 161 272 19 ILE HB H 1.646 0.020 1 162 272 19 ILE HG12 H 1.135 0.020 1 163 272 19 ILE HG13 H 1.135 0.020 1 164 272 19 ILE HG2 H 0.860 0.020 1 165 272 19 ILE HD1 H 0.799 0.020 1 166 272 19 ILE C C 175.334 0.3 1 167 272 19 ILE CA C 62.645 0.3 1 168 272 19 ILE CB C 36.807 0.3 1 169 272 19 ILE CG1 C 24.519 0.3 1 170 272 19 ILE CG2 C 18.639 0.3 1 171 272 19 ILE CD1 C 14.615 0.3 1 172 272 19 ILE N N 125.481 0.3 1 173 273 20 ILE H H 9.012 0.020 1 174 273 20 ILE HA H 4.467 0.020 1 175 273 20 ILE HB H 1.947 0.020 1 176 273 20 ILE HG12 H 1.151 0.020 1 177 273 20 ILE HG13 H 1.151 0.020 1 178 273 20 ILE HG2 H 0.859 0.020 1 179 273 20 ILE HD1 H 0.715 0.020 1 180 273 20 ILE C C 176.191 0.3 1 181 273 20 ILE CA C 60.941 0.3 1 182 273 20 ILE CB C 39.457 0.3 1 183 273 20 ILE CG1 C 26.409 0.3 1 184 273 20 ILE CG2 C 18.001 0.3 1 185 273 20 ILE CD1 C 13.184 0.3 1 186 273 20 ILE N N 121.342 0.3 1 187 274 21 SER H H 7.656 0.020 1 188 274 21 SER HA H 4.601 0.020 1 189 274 21 SER HB2 H 3.761 0.020 2 190 274 21 SER HB3 H 3.623 0.020 2 191 274 21 SER C C 172.371 0.3 1 192 274 21 SER CA C 58.409 0.3 1 193 274 21 SER CB C 64.640 0.3 1 194 274 21 SER N N 114.570 0.3 1 195 275 22 ILE H H 8.942 0.020 1 196 275 22 ILE HA H 4.785 0.020 1 197 275 22 ILE HB H 1.531 0.020 1 198 275 22 ILE HG12 H 1.133 0.020 1 199 275 22 ILE HG13 H 1.133 0.020 1 200 275 22 ILE HG2 H 0.860 0.020 1 201 275 22 ILE HD1 H 0.602 0.020 1 202 275 22 ILE C C 173.771 0.3 1 203 275 22 ILE CA C 61.126 0.3 1 204 275 22 ILE CB C 41.634 0.3 1 205 275 22 ILE CG1 C 22.827 0.3 1 206 275 22 ILE CG2 C 18.034 0.3 1 207 275 22 ILE CD1 C 14.604 0.3 1 208 275 22 ILE N N 122.312 0.3 1 209 276 23 ASP H H 9.401 0.020 1 210 276 23 ASP HA H 5.188 0.020 1 211 276 23 ASP HB2 H 2.941 0.020 2 212 276 23 ASP HB3 H 2.604 0.020 2 213 276 23 ASP C C 176.947 0.3 1 214 276 23 ASP CA C 52.676 0.3 1 215 276 23 ASP CB C 42.723 0.3 1 216 276 23 ASP N N 127.914 0.3 1 217 277 24 THR H H 8.842 0.020 1 218 277 24 THR HA H 4.743 0.020 1 219 277 24 THR HB H 4.252 0.020 1 220 277 24 THR HG2 H 1.135 0.020 1 221 277 24 THR C C 175.409 0.3 1 222 277 24 THR CA C 60.599 0.3 1 223 277 24 THR CB C 68.363 0.3 1 224 277 24 THR CG2 C 22.633 0.3 1 225 277 24 THR N N 116.390 0.3 1 226 278 25 SER H H 8.734 0.020 1 227 278 25 SER HA H 3.951 0.020 1 228 278 25 SER HB2 H 3.867 0.020 2 229 278 25 SER HB3 H 3.786 0.020 2 230 278 25 SER C C 176.985 0.3 1 231 278 25 SER CA C 62.531 0.3 1 232 278 25 SER CB C 63.920 0.3 1 233 278 25 SER N N 120.184 0.3 1 234 279 26 SER H H 8.547 0.020 1 235 279 26 SER HA H 4.275 0.020 1 236 279 26 SER HB2 H 3.962 0.020 1 237 279 26 SER HB3 H 3.962 0.020 1 238 279 26 SER C C 176.985 0.3 1 239 279 26 SER CA C 61.440 0.3 1 240 279 26 SER CB C 63.428 0.3 1 241 279 26 SER N N 118.515 0.3 1 242 280 27 LEU H H 7.954 0.020 1 243 280 27 LEU HA H 4.147 0.020 1 244 280 27 LEU HB2 H 1.679 0.020 1 245 280 27 LEU HB3 H 1.679 0.020 1 246 280 27 LEU HG H 1.239 0.020 1 247 280 27 LEU HD1 H 0.929 0.020 1 248 280 27 LEU HD2 H 0.838 0.020 1 249 280 27 LEU C C 179.014 0.3 1 250 280 27 LEU CA C 57.144 0.3 1 251 280 27 LEU CB C 42.157 0.3 1 252 280 27 LEU CG C 27.222 0.3 1 253 280 27 LEU CD1 C 24.692 0.3 1 254 280 27 LEU CD2 C 21.445 0.3 1 255 280 27 LEU N N 123.244 0.3 1 256 281 28 ARG H H 7.807 0.020 1 257 281 28 ARG HA H 3.545 0.020 1 258 281 28 ARG HB2 H 1.616 0.020 1 259 281 28 ARG HB3 H 1.616 0.020 1 260 281 28 ARG HG2 H 1.409 0.020 1 261 281 28 ARG HG3 H 1.409 0.020 1 262 281 28 ARG HD2 H 2.924 0.020 1 263 281 28 ARG HD3 H 2.924 0.020 1 264 281 28 ARG C C 179.077 0.3 1 265 281 28 ARG CA C 58.640 0.3 1 266 281 28 ARG CB C 29.232 0.3 1 267 281 28 ARG CG C 24.692 0.3 1 268 281 28 ARG CD C 41.921 0.3 1 269 281 28 ARG N N 117.334 0.3 1 270 282 29 ALA H H 7.842 0.020 1 271 282 29 ALA HA H 4.083 0.020 1 272 282 29 ALA HB H 1.418 0.020 1 273 282 29 ALA C C 178.434 0.3 1 274 282 29 ALA CA C 53.886 0.3 1 275 282 29 ALA CB C 18.252 0.3 1 276 282 29 ALA N N 121.930 0.3 1 277 283 30 ALA H H 7.412 0.020 1 278 283 30 ALA HA H 4.228 0.020 1 279 283 30 ALA HB H 1.486 0.020 1 280 283 30 ALA C C 178.649 0.3 1 281 283 30 ALA CA C 52.790 0.3 1 282 283 30 ALA CB C 18.613 0.3 1 283 283 30 ALA N N 118.708 0.3 1 284 284 31 GLY H H 7.713 0.020 1 285 284 31 GLY HA2 H 3.818 0.020 1 286 284 31 GLY HA3 H 3.818 0.020 1 287 284 31 GLY C C 174.527 0.3 1 288 284 31 GLY CA C 46.078 0.3 1 289 284 31 GLY N N 105.583 0.3 1 290 285 32 ARG H H 7.783 0.020 1 291 285 32 ARG HA H 4.365 0.020 1 292 285 32 ARG HB2 H 1.910 0.020 1 293 285 32 ARG HB3 H 1.910 0.020 1 294 285 32 ARG HG2 H 1.610 0.020 1 295 285 32 ARG HG3 H 1.610 0.020 1 296 285 32 ARG HD2 H 3.151 0.020 1 297 285 32 ARG HD3 H 3.151 0.020 1 298 285 32 ARG C C 176.569 0.3 1 299 285 32 ARG CA C 55.663 0.3 1 300 285 32 ARG CB C 30.231 0.3 1 301 285 32 ARG CG C 27.206 0.3 1 302 285 32 ARG CD C 43.140 0.3 1 303 285 32 ARG N N 120.181 0.3 1 304 286 33 THR H H 8.458 0.020 1 305 286 33 THR HA H 4.360 0.020 1 306 286 33 THR HB H 4.185 0.020 1 307 286 33 THR HG1 H -1.428 0.020 1 308 286 33 THR HG2 H 1.267 0.020 1 309 286 33 THR C C 175.863 0.3 1 310 286 33 THR CA C 62.961 0.3 1 311 286 33 THR CB C 69.330 0.3 1 312 286 33 THR CG2 C 21.719 0.3 1 313 286 33 THR N N 119.848 0.3 1 314 287 34 GLY H H 9.119 0.020 1 315 287 34 GLY HA2 H 3.957 0.020 1 316 287 34 GLY HA3 H 3.957 0.020 1 317 287 34 GLY CA C 46.142 0.3 1 318 287 34 GLY N N 112.466 0.3 1 319 288 35 TRP H H 7.171 0.020 1 320 288 35 TRP HA H 4.141 0.020 1 321 288 35 TRP HB2 H 3.325 0.020 2 322 288 35 TRP HB3 H 3.167 0.020 2 323 288 35 TRP HD1 H 7.514 0.020 1 324 288 35 TRP HE1 H 10.198 0.020 1 325 288 35 TRP HE3 H 7.095 0.020 1 326 288 35 TRP HZ2 H 7.120 0.020 1 327 288 35 TRP HZ3 H 6.896 0.020 1 328 288 35 TRP HH2 H 7.412 0.020 1 329 288 35 TRP CA C 58.465 0.3 1 330 288 35 TRP CB C 28.294 0.3 1 331 288 35 TRP CD1 C 127.459 0.3 1 332 288 35 TRP CE3 C 119.462 0.3 1 333 288 35 TRP CZ2 C 123.86 0.3 1 334 288 35 TRP CZ3 C 121.117 0.3 1 335 288 35 TRP CH2 C 114.26 0.3 1 336 288 35 TRP N N 118.914 0.3 1 337 288 35 TRP NE1 N 130.406 0.3 1 338 289 36 GLU H H 8.175 0.020 1 339 289 36 GLU HA H 4.036 0.020 1 340 289 36 GLU HB2 H 1.213 0.020 2 341 289 36 GLU HB3 H 0.982 0.020 2 342 289 36 GLU HG2 H 1.509 0.020 2 343 289 36 GLU HG3 H 0.776 0.020 2 344 289 36 GLU C C 176.531 0.3 1 345 289 36 GLU CA C 60.724 0.3 1 346 289 36 GLU CB C 28.090 0.3 1 347 289 36 GLU CG C 35.545 0.3 1 348 289 36 GLU N N 124.113 0.3 1 349 290 37 ASP H H 7.277 0.020 1 350 290 37 ASP HA H 4.249 0.020 1 351 290 37 ASP HB2 H 2.529 0.020 1 352 290 37 ASP HB3 H 2.529 0.020 1 353 290 37 ASP C C 177.565 0.3 1 354 290 37 ASP CA C 56.797 0.3 1 355 290 37 ASP CB C 41.617 0.3 1 356 290 37 ASP N N 118.126 0.3 1 357 291 38 LEU H H 7.287 0.020 1 358 291 38 LEU HA H 3.794 0.020 1 359 291 38 LEU HB2 H 1.663 0.020 2 360 291 38 LEU HB3 H 1.280 0.020 2 361 291 38 LEU HG H 0.992 0.020 1 362 291 38 LEU HD1 H 0.902 0.020 1 363 291 38 LEU HD2 H 0.686 0.020 1 364 291 38 LEU C C 177.476 0.3 1 365 291 38 LEU CA C 59.493 0.3 1 366 291 38 LEU CB C 42.168 0.3 1 367 291 38 LEU CG C 27.108 0.3 1 368 291 38 LEU CD1 C 24.927 0.3 1 369 291 38 LEU CD2 C 18.599 0.3 1 370 291 38 LEU N N 118.049 0.3 1 371 292 39 VAL H H 7.755 0.020 1 372 292 39 VAL HA H 4.213 0.020 1 373 292 39 VAL HB H 1.733 0.020 1 374 292 39 VAL HG1 H 0.349 0.020 1 375 292 39 VAL HG2 H 0.181 0.020 1 376 292 39 VAL C C 177.023 0.3 1 377 292 39 VAL CA C 65.975 0.3 1 378 292 39 VAL CB C 30.208 0.3 1 379 292 39 VAL CG1 C 22.735 0.3 1 380 292 39 VAL CG2 C 21.373 0.3 1 381 292 39 VAL N N 117.632 0.3 1 382 293 40 ARG H H 7.737 0.020 1 383 293 40 ARG HA H 3.362 0.020 1 384 293 40 ARG HB2 H 1.629 0.020 1 385 293 40 ARG HB3 H 1.629 0.020 1 386 293 40 ARG HG2 H 1.262 0.020 1 387 293 40 ARG HG3 H 1.262 0.020 1 388 293 40 ARG HD2 H 2.654 0.020 1 389 293 40 ARG HD3 H 2.654 0.020 1 390 293 40 ARG C C 177.779 0.3 1 391 293 40 ARG CA C 60.483 0.3 1 392 293 40 ARG CB C 29.116 0.3 1 393 293 40 ARG CG C 24.370 0.3 1 394 293 40 ARG CD C 42.913 0.3 1 395 293 40 ARG N N 116.779 0.3 1 396 294 41 LYS H H 8.451 0.020 1 397 294 41 LYS HA H 3.876 0.020 1 398 294 41 LYS HB2 H 1.792 0.020 2 399 294 41 LYS HB3 H 1.658 0.020 2 400 294 41 LYS HG2 H 1.607 0.020 1 401 294 41 LYS HG3 H 1.607 0.020 1 402 294 41 LYS HD2 H 1.805 0.020 2 403 294 41 LYS HD3 H 1.736 0.020 2 404 294 41 LYS HE2 H 3.051 0.020 1 405 294 41 LYS HE3 H 3.051 0.020 1 406 294 41 LYS C C 178.712 0.3 1 407 294 41 LYS CA C 57.482 0.3 1 408 294 41 LYS CB C 31.721 0.3 1 409 294 41 LYS CG C 27.270 0.3 1 410 294 41 LYS CD C 33.997 0.3 1 411 294 41 LYS CE C 43.078 0.3 1 412 294 41 LYS N N 115.544 0.3 1 413 295 42 CYS H H 8.032 0.020 1 414 295 42 CYS HA H 2.850 0.020 1 415 295 42 CYS HB2 H 2.093 0.020 1 416 295 42 CYS HB3 H 2.093 0.020 1 417 295 42 CYS HG H -1.726 0.020 1 418 295 42 CYS C C 176.140 0.3 1 419 295 42 CYS CA C 62.515 0.3 1 420 295 42 CYS CB C 26.767 0.3 1 421 295 42 CYS N N 122.212 0.3 1 422 296 43 ILE H H 8.084 0.020 1 423 296 43 ILE HA H 3.865 0.020 1 424 296 43 ILE HB H 1.788 0.020 1 425 296 43 ILE HG12 H 1.061 0.020 1 426 296 43 ILE HG13 H 1.061 0.020 1 427 296 43 ILE HG2 H 0.714 0.020 1 428 296 43 ILE HD1 H 0.576 0.020 1 429 296 43 ILE C C 178.447 0.3 1 430 296 43 ILE CA C 64.274 0.3 1 431 296 43 ILE CB C 36.406 0.3 1 432 296 43 ILE CG1 C 21.009 0.3 1 433 296 43 ILE CG2 C 17.595 0.3 1 434 296 43 ILE CD1 C 12.583 0.3 1 435 296 43 ILE N N 118.044 0.3 1 436 297 44 TYR H H 8.301 0.020 1 437 297 44 TYR HA H 4.719 0.020 1 438 297 44 TYR HB2 H 3.069 0.020 2 439 297 44 TYR HB3 H 3.008 0.020 2 440 297 44 TYR HD1 H 7.012 0.020 1 441 297 44 TYR HD2 H 7.012 0.020 1 442 297 44 TYR HE1 H 6.700 0.020 1 443 297 44 TYR HE2 H 6.700 0.020 1 444 297 44 TYR C C 178.850 0.3 1 445 297 44 TYR CA C 61.752 0.3 1 446 297 44 TYR CB C 36.838 0.3 1 447 297 44 TYR CD1 C 132.036 0.3 1 448 297 44 TYR CE1 C 117.846 0.3 1 449 297 44 TYR N N 118.126 0.3 1 450 298 45 ALA H H 7.994 0.020 1 451 298 45 ALA HA H 4.282 0.020 1 452 298 45 ALA HB H 1.798 0.020 1 453 298 45 ALA C C 180.124 0.3 1 454 298 45 ALA CA C 54.866 0.3 1 455 298 45 ALA CB C 18.921 0.3 1 456 298 45 ALA N N 121.635 0.3 1 457 299 46 PHE H H 8.491 0.020 1 458 299 46 PHE HA H 3.610 0.020 1 459 299 46 PHE HB2 H 3.315 0.020 2 460 299 46 PHE HB3 H 2.842 0.020 2 461 299 46 PHE HD1 H 6.909 0.020 1 462 299 46 PHE HD2 H 6.909 0.020 1 463 299 46 PHE HE1 H 6.274 0.020 1 464 299 46 PHE HE2 H 6.274 0.020 1 465 299 46 PHE C C 175.699 0.3 1 466 299 46 PHE CA C 59.810 0.3 1 467 299 46 PHE CB C 39.401 0.3 1 468 299 46 PHE CD1 C 129.567 0.3 1 469 299 46 PHE CE1 C 135.854 0.3 1 470 299 46 PHE N N 121.938 0.3 1 471 300 47 PHE H H 7.761 0.020 1 472 300 47 PHE HA H 4.024 0.020 1 473 300 47 PHE HB2 H 3.312 0.020 2 474 300 47 PHE HB3 H 2.891 0.020 2 475 300 47 PHE HD1 H 7.050 0.020 1 476 300 47 PHE HD2 H 7.050 0.020 1 477 300 47 PHE HE1 H 7.532 0.020 1 478 300 47 PHE HE2 H 7.532 0.020 1 479 300 47 PHE C C 175.573 0.3 1 480 300 47 PHE CA C 58.396 0.3 1 481 300 47 PHE CB C 40.484 0.3 1 482 300 47 PHE CD1 C 131.097 0.3 1 483 300 47 PHE CE1 C 132.376 0.3 1 484 300 47 PHE N N 112.767 0.3 1 485 301 48 GLN H H 7.494 0.020 1 486 301 48 GLN HA H 4.551 0.020 1 487 301 48 GLN HB2 H 2.244 0.020 2 488 301 48 GLN HB3 H 2.090 0.020 2 489 301 48 GLN HG2 H 2.389 0.020 1 490 301 48 GLN HG3 H 2.389 0.020 1 491 301 48 GLN HE21 H 7.340 0.020 1 492 301 48 GLN HE22 H 6.831 0.020 1 493 301 48 GLN CA C 54.261 0.3 1 494 301 48 GLN CB C 28.957 0.3 1 495 301 48 GLN CG C 34.006 0.3 1 496 301 48 GLN N N 124.136 0.3 1 497 301 48 GLN NE2 N 111.893 0.3 1 498 302 49 PRO HA H 3.986 0.020 1 499 302 49 PRO HB2 H 2.340 0.020 1 500 302 49 PRO HB3 H 2.340 0.020 1 501 302 49 PRO HG2 H 1.984 0.020 1 502 302 49 PRO HG3 H 1.984 0.020 1 503 302 49 PRO HD2 H 3.950 0.020 1 504 302 49 PRO HD3 H 3.950 0.020 1 505 302 49 PRO CA C 63.845 0.3 1 506 302 49 PRO CB C 31.760 0.3 1 507 302 49 PRO CG C 27.637 0.3 1 508 302 49 PRO CD C 50.649 0.3 1 509 303 50 GLN H H 7.079 0.020 1 510 303 50 GLN HA H 4.326 0.020 1 511 303 50 GLN HB2 H 1.992 0.020 2 512 303 50 GLN HB3 H 1.900 0.020 2 513 303 50 GLN HG2 H 2.447 0.020 2 514 303 50 GLN HG3 H 2.358 0.020 2 515 303 50 GLN HE21 H 7.436 0.020 1 516 303 50 GLN HE22 H 6.308 0.020 1 517 303 50 GLN C C 176.531 0.3 1 518 303 50 GLN CA C 52.791 0.3 1 519 303 50 GLN CB C 27.272 0.3 1 520 303 50 GLN CG C 31.876 0.3 1 521 303 50 GLN N N 122.992 0.3 1 522 303 50 GLN NE2 N 113.426 0.3 1 523 304 51 GLY H H 7.882 0.020 1 524 304 51 GLY HA2 H 3.989 0.020 2 525 304 51 GLY HA3 H 3.517 0.020 2 526 304 51 GLY CA C 46.908 0.3 1 527 304 51 GLY N N 112.139 0.3 1 528 307 54 PRO HA H 4.506 0.020 1 529 307 54 PRO HB2 H 1.953 0.020 1 530 307 54 PRO HB3 H 1.953 0.020 1 531 307 54 PRO HG2 H 2.212 0.020 1 532 307 54 PRO HG3 H 2.212 0.020 1 533 307 54 PRO HD2 H 3.811 0.020 1 534 307 54 PRO HD3 H 3.811 0.020 1 535 307 54 PRO CA C 62.506 0.3 1 536 307 54 PRO CB C 31.801 0.3 1 537 307 54 PRO CG C 26.948 0.3 1 538 307 54 PRO CD C 50.706 0.3 1 539 308 55 SER H H 8.168 0.020 1 540 308 55 SER HA H 4.190 0.020 1 541 308 55 SER HB2 H 3.761 0.020 2 542 308 55 SER HB3 H 3.622 0.020 2 543 308 55 SER C C 174.703 0.3 1 544 308 55 SER CA C 56.508 0.3 1 545 308 55 SER CB C 64.652 0.3 1 546 308 55 SER N N 114.076 0.3 1 547 309 56 TYR H H 8.901 0.020 1 548 309 56 TYR HA H 4.261 0.020 1 549 309 56 TYR HB2 H 2.923 0.020 2 550 309 56 TYR HB3 H 2.725 0.020 2 551 309 56 TYR HD1 H 7.129 0.020 3 552 309 56 TYR HD2 H 6.878 0.020 3 553 309 56 TYR HE1 H 7.083 0.020 1 554 309 56 TYR HE2 H 7.083 0.020 1 555 309 56 TYR C C 177.502 0.3 1 556 309 56 TYR CA C 60.023 0.3 1 557 309 56 TYR CB C 35.633 0.3 1 558 309 56 TYR CD1 C 128.809 0.3 1 559 309 56 TYR CD2 C 128.815 0.3 1 560 309 56 TYR CE1 C 124.257 0.3 1 561 309 56 TYR N N 120.755 0.3 1 562 310 57 ALA H H 7.192 0.020 1 563 310 57 ALA HA H 2.896 0.020 1 564 310 57 ALA HB H -0.427 0.020 1 565 310 57 ALA C C 179.960 0.3 1 566 310 57 ALA CA C 54.837 0.3 1 567 310 57 ALA CB C 17.218 0.3 1 568 310 57 ALA N N 120.585 0.3 1 569 311 58 ARG H H 7.665 0.020 1 570 311 58 ARG HA H 3.991 0.020 1 571 311 58 ARG HB2 H 2.043 0.020 2 572 311 58 ARG HB3 H 1.719 0.020 2 573 311 58 ARG HG2 H 1.322 0.020 1 574 311 58 ARG HG3 H 1.322 0.020 1 575 311 58 ARG HD2 H 2.435 0.020 2 576 311 58 ARG HD3 H 2.352 0.020 2 577 311 58 ARG C C 178.119 0.3 1 578 311 58 ARG CA C 59.282 0.3 1 579 311 58 ARG CB C 31.757 0.3 1 580 311 58 ARG CG C 24.615 0.3 1 581 311 58 ARG CD C 35.835 0.3 1 582 311 58 ARG N N 119.346 0.3 1 583 312 59 GLN H H 8.228 0.020 1 584 312 59 GLN HA H 3.913 0.020 1 585 312 59 GLN HB2 H 1.936 0.020 2 586 312 59 GLN HB3 H 1.871 0.020 2 587 312 59 GLN HG2 H 2.301 0.020 1 588 312 59 GLN HG3 H 2.301 0.020 1 589 312 59 GLN HE21 H 7.331 0.020 1 590 312 59 GLN HE22 H 6.966 0.020 1 591 312 59 GLN C C 178.901 0.3 1 592 312 59 GLN CA C 59.303 0.3 1 593 312 59 GLN CB C 29.277 0.3 1 594 312 59 GLN CG C 33.795 0.3 1 595 312 59 GLN N N 119.007 0.3 1 596 312 59 GLN NE2 N 112.797 0.3 1 597 313 60 LEU H H 9.041 0.020 1 598 313 60 LEU HA H 3.896 0.020 1 599 313 60 LEU HB2 H 1.787 0.020 1 600 313 60 LEU HB3 H 1.787 0.020 1 601 313 60 LEU HG H 1.432 0.020 1 602 313 60 LEU HD1 H 0.880 0.020 1 603 313 60 LEU HD2 H 0.714 0.020 1 604 313 60 LEU C C 178.233 0.3 1 605 313 60 LEU CA C 58.625 0.3 1 606 313 60 LEU CB C 38.762 0.3 1 607 313 60 LEU CG C 26.966 0.3 1 608 313 60 LEU CD1 C 17.011 0.3 1 609 313 60 LEU CD2 C 13.167 0.3 1 610 313 60 LEU N N 119.482 0.3 1 611 314 61 PHE H H 7.879 0.020 1 612 314 61 PHE HA H 3.950 0.020 1 613 314 61 PHE HB2 H 3.319 0.020 2 614 314 61 PHE HB3 H 2.848 0.020 2 615 314 61 PHE HD1 H 6.913 0.020 1 616 314 61 PHE HD2 H 6.913 0.020 1 617 314 61 PHE HE1 H 7.251 0.020 1 618 314 61 PHE HE2 H 7.251 0.020 1 619 314 61 PHE C C 176.027 0.3 1 620 314 61 PHE CA C 61.348 0.3 1 621 314 61 PHE CB C 39.490 0.3 1 622 314 61 PHE CD1 C 131.254 0.3 1 623 314 61 PHE CE1 C 129.880 0.3 1 624 314 61 PHE N N 120.212 0.3 1 625 315 62 GLN H H 7.527 0.020 1 626 315 62 GLN HA H 4.347 0.020 1 627 315 62 GLN HB2 H 1.977 0.020 2 628 315 62 GLN HB3 H 1.919 0.020 2 629 315 62 GLN HG2 H 2.221 0.020 2 630 315 62 GLN HG3 H 1.882 0.020 2 631 315 62 GLN HE21 H 7.620 0.020 1 632 315 62 GLN HE22 H 6.888 0.020 1 633 315 62 GLN C C 178.384 0.3 1 634 315 62 GLN CA C 58.606 0.3 1 635 315 62 GLN CB C 27.464 0.3 1 636 315 62 GLN CG C 31.898 0.3 1 637 315 62 GLN N N 115.492 0.3 1 638 315 62 GLN NE2 N 112.525 0.3 1 639 316 63 GLU H H 7.668 0.020 1 640 316 63 GLU HA H 3.979 0.020 1 641 316 63 GLU HB2 H 2.079 0.020 2 642 316 63 GLU HB3 H 1.925 0.020 2 643 316 63 GLU HG2 H 2.438 0.020 2 644 316 63 GLU HG3 H 2.364 0.020 2 645 316 63 GLU C C 178.472 0.3 1 646 316 63 GLU CA C 59.296 0.3 1 647 316 63 GLU CB C 30.065 0.3 1 648 316 63 GLU CG C 35.814 0.3 1 649 316 63 GLU N N 119.274 0.3 1 650 317 64 VAL H H 9.127 0.020 1 651 317 64 VAL HA H 3.410 0.020 1 652 317 64 VAL HB H 1.819 0.020 1 653 317 64 VAL HG1 H 0.588 0.020 1 654 317 64 VAL HG2 H 0.791 0.020 1 655 317 64 VAL C C 177.061 0.3 1 656 317 64 VAL CA C 65.093 0.3 1 657 317 64 VAL CB C 30.245 0.3 1 658 317 64 VAL CG1 C 24.267 0.3 1 659 317 64 VAL CG2 C 22.245 0.3 1 660 317 64 VAL N N 121.326 0.3 1 661 318 65 MET H H 7.258 0.020 1 662 318 65 MET HA H 4.240 0.020 1 663 318 65 MET HB2 H 2.041 0.020 2 664 318 65 MET HB3 H 1.736 0.020 2 665 318 65 MET HG2 H 2.190 0.020 2 666 318 65 MET HG3 H 2.138 0.020 2 667 318 65 MET C C 177.603 0.3 1 668 318 65 MET CA C 55.833 0.3 1 669 318 65 MET CB C 29.319 0.3 1 670 318 65 MET CG C 33.440 0.3 1 671 318 65 MET N N 117.128 0.3 1 672 319 66 THR H H 7.305 0.020 1 673 319 66 THR HA H 4.301 0.020 1 674 319 66 THR HB H 4.162 0.020 1 675 319 66 THR HG1 H -1.783 0.020 1 676 319 66 THR HG2 H 1.211 0.020 1 677 319 66 THR C C 175.598 0.3 1 678 319 66 THR CA C 63.711 0.3 1 679 319 66 THR CB C 69.396 0.3 1 680 319 66 THR CG2 C 21.519 0.3 1 681 319 66 THR N N 110.613 0.3 1 682 320 67 ARG H H 8.720 0.020 1 683 320 67 ARG HA H 4.574 0.020 1 684 320 67 ARG HB2 H 2.011 0.020 2 685 320 67 ARG HB3 H 1.904 0.020 2 686 320 67 ARG HG2 H 1.772 0.020 2 687 320 67 ARG HG3 H 1.693 0.020 2 688 320 67 ARG HD2 H 3.223 0.020 1 689 320 67 ARG HD3 H 3.223 0.020 1 690 320 67 ARG C C 177.754 0.3 1 691 320 67 ARG CA C 56.346 0.3 1 692 320 67 ARG CB C 32.491 0.3 1 693 320 67 ARG CG C 27.643 0.3 1 694 320 67 ARG CD C 43.055 0.3 1 695 320 67 ARG N N 118.617 0.3 1 696 321 68 GLY H H 8.131 0.020 1 697 321 68 GLY HA2 H 4.503 0.020 2 698 321 68 GLY HA3 H 3.736 0.020 2 699 321 68 GLY C C 173.241 0.3 1 700 321 68 GLY CA C 46.395 0.3 1 701 321 68 GLY N N 109.864 0.3 1 702 322 69 THR H H 7.139 0.020 1 703 322 69 THR HA H 5.007 0.020 1 704 322 69 THR HB H 4.084 0.020 1 705 322 69 THR HG2 H 1.140 0.020 1 706 322 69 THR C C 171.716 0.3 1 707 322 69 THR CA C 59.839 0.3 1 708 322 69 THR CB C 71.830 0.3 1 709 322 69 THR CG2 C 21.316 0.3 1 710 322 69 THR N N 111.893 0.3 1 711 323 70 ALA H H 8.232 0.020 1 712 323 70 ALA HA H 4.549 0.020 1 713 323 70 ALA HB H 1.322 0.020 1 714 323 70 ALA C C 175.157 0.3 1 715 323 70 ALA CA C 52.778 0.3 1 716 323 70 ALA CB C 24.581 0.3 1 717 323 70 ALA N N 121.908 0.3 1 718 324 71 SER H H 8.751 0.020 1 719 324 71 SER HA H 5.462 0.020 1 720 324 71 SER HB2 H 3.839 0.020 2 721 324 71 SER HB3 H 3.758 0.020 2 722 324 71 SER C C 172.901 0.3 1 723 324 71 SER CA C 57.213 0.3 1 724 324 71 SER CB C 65.863 0.3 1 725 324 71 SER N N 115.662 0.3 1 726 325 72 SER H H 9.493 0.020 1 727 325 72 SER HA H 4.904 0.020 1 728 325 72 SER HB2 H 3.903 0.020 2 729 325 72 SER HB3 H 3.756 0.020 2 730 325 72 SER CA C 56.102 0.3 1 731 325 72 SER CB C 64.123 0.3 1 732 325 72 SER N N 121.505 0.3 1 733 326 73 PRO HA H 4.705 0.020 1 734 326 73 PRO HB2 H 2.439 0.020 1 735 326 73 PRO HB3 H 2.439 0.020 1 736 326 73 PRO HG2 H 1.904 0.020 2 737 326 73 PRO HG3 H 1.879 0.020 2 738 326 73 PRO HD2 H 3.713 0.020 2 739 326 73 PRO HD3 H 3.656 0.020 2 740 326 73 PRO CA C 62.007 0.3 1 741 326 73 PRO CB C 31.938 0.3 1 742 326 73 PRO CG C 27.456 0.3 1 743 326 73 PRO CD C 50.612 0.3 1 744 327 74 SER H H 8.352 0.020 1 745 327 74 SER HA H 5.050 0.020 1 746 327 74 SER HB2 H 3.629 0.020 1 747 327 74 SER HB3 H 3.629 0.020 1 748 327 74 SER C C 174.086 0.3 1 749 327 74 SER CA C 59.130 0.3 1 750 327 74 SER CB C 63.474 0.3 1 751 327 74 SER N N 116.043 0.3 1 752 328 75 TYR H H 9.269 0.020 1 753 328 75 TYR HA H 5.124 0.020 1 754 328 75 TYR HB2 H 3.106 0.020 2 755 328 75 TYR HB3 H 3.043 0.020 2 756 328 75 TYR HD1 H 7.068 0.020 1 757 328 75 TYR HD2 H 7.068 0.020 1 758 328 75 TYR HE1 H 6.915 0.020 1 759 328 75 TYR HE2 H 6.915 0.020 1 760 328 75 TYR C C 173.531 0.3 1 761 328 75 TYR CA C 54.923 0.3 1 762 328 75 TYR CB C 40.624 0.3 1 763 328 75 TYR CD1 C 134.423 0.3 1 764 328 75 TYR CE1 C 117.052 0.3 1 765 328 75 TYR N N 122.942 0.3 1 766 329 76 ARG H H 8.350 0.020 1 767 329 76 ARG HA H 5.330 0.020 1 768 329 76 ARG HB2 H 1.804 0.020 2 769 329 76 ARG HB3 H 1.743 0.020 2 770 329 76 ARG HG2 H 1.614 0.020 2 771 329 76 ARG HG3 H 1.563 0.020 2 772 329 76 ARG HD2 H 3.131 0.020 2 773 329 76 ARG HD3 H 3.079 0.020 2 774 329 76 ARG C C 176.191 0.3 1 775 329 76 ARG CA C 54.929 0.3 1 776 329 76 ARG CB C 33.777 0.3 1 777 329 76 ARG CG C 27.391 0.3 1 778 329 76 ARG CD C 43.495 0.3 1 779 329 76 ARG N N 118.561 0.3 1 780 330 77 PHE H H 8.280 0.020 1 781 330 77 PHE HA H 4.905 0.020 1 782 330 77 PHE HB2 H 3.321 0.020 2 783 330 77 PHE HB3 H 2.917 0.020 2 784 330 77 PHE HD1 H 6.810 0.020 1 785 330 77 PHE HD2 H 6.810 0.020 1 786 330 77 PHE HE1 H 7.111 0.020 1 787 330 77 PHE HE2 H 7.111 0.020 1 788 330 77 PHE C C 171.817 0.3 1 789 330 77 PHE CA C 56.053 0.3 1 790 330 77 PHE CB C 40.484 0.3 1 791 330 77 PHE CD1 C 132.121 0.3 1 792 330 77 PHE CE1 C 130.820 0.3 1 793 330 77 PHE N N 116.064 0.3 1 794 331 78 ILE H H 8.385 0.020 1 795 331 78 ILE HA H 4.917 0.020 1 796 331 78 ILE HB H 1.625 0.020 1 797 331 78 ILE HG12 H 1.437 0.020 2 798 331 78 ILE HG13 H 0.956 0.020 2 799 331 78 ILE HG2 H 0.883 0.020 1 800 331 78 ILE HD1 H 0.811 0.020 1 801 331 78 ILE C C 176.632 0.3 1 802 331 78 ILE CA C 59.631 0.3 1 803 331 78 ILE CB C 40.668 0.3 1 804 331 78 ILE CG1 C 27.909 0.3 1 805 331 78 ILE CG2 C 16.991 0.3 1 806 331 78 ILE CD1 C 13.431 0.3 1 807 331 78 ILE N N 118.755 0.3 1 808 332 79 LEU H H 8.726 0.020 1 809 332 79 LEU HA H 4.422 0.020 1 810 332 79 LEU HB2 H 2.069 0.020 2 811 332 79 LEU HB3 H 1.980 0.020 2 812 332 79 LEU HG H 1.689 0.020 1 813 332 79 LEU HD1 H 0.889 0.020 1 814 332 79 LEU HD2 H 0.857 0.020 1 815 332 79 LEU C C 179.292 0.3 1 816 332 79 LEU CA C 54.173 0.3 1 817 332 79 LEU CB C 42.010 0.3 1 818 332 79 LEU CG C 26.779 0.3 1 819 332 79 LEU CD1 C 22.173 0.3 1 820 332 79 LEU CD2 C 17.964 0.3 1 821 332 79 LEU N N 124.011 0.3 1 822 333 80 ASN H H 10.097 0.020 1 823 333 80 ASN HA H 4.364 0.020 1 824 333 80 ASN HB2 H 2.753 0.020 2 825 333 80 ASN HB3 H 2.720 0.020 2 826 333 80 ASN HD21 H 7.586 0.020 1 827 333 80 ASN HD22 H 6.827 0.020 1 828 333 80 ASN C C 176.077 0.3 1 829 333 80 ASN CA C 55.655 0.3 1 830 333 80 ASN CB C 37.525 0.3 1 831 333 80 ASN N N 121.285 0.3 1 832 333 80 ASN ND2 N 113.214 0.3 1 833 334 81 ASP H H 7.532 0.020 1 834 334 81 ASP HA H 4.451 0.020 1 835 334 81 ASP HB2 H 3.033 0.020 2 836 334 81 ASP HB3 H 2.490 0.020 2 837 334 81 ASP C C 176.934 0.3 1 838 334 81 ASP CA C 53.225 0.3 1 839 334 81 ASP CB C 39.913 0.3 1 840 334 81 ASP N N 115.492 0.3 1 841 335 82 GLY H H 8.098 0.020 1 842 335 82 GLY HA2 H 4.262 0.020 2 843 335 82 GLY HA3 H 3.431 0.020 2 844 335 82 GLY C C 174.350 0.3 1 845 335 82 GLY CA C 44.709 0.3 1 846 335 82 GLY N N 108.279 0.3 1 847 336 83 THR H H 7.999 0.020 1 848 336 83 THR HA H 3.859 0.020 1 849 336 83 THR HB H 3.947 0.020 1 850 336 83 THR HG2 H 0.997 0.020 1 851 336 83 THR C C 172.561 0.3 1 852 336 83 THR CA C 64.414 0.3 1 853 336 83 THR CB C 68.835 0.3 1 854 336 83 THR CG2 C 21.030 0.3 1 855 336 83 THR N N 118.156 0.3 1 856 337 84 MET H H 8.544 0.020 1 857 337 84 MET HA H 4.816 0.020 1 858 337 84 MET HB2 H 1.928 0.020 2 859 337 84 MET HB3 H 1.863 0.020 2 860 337 84 MET HG2 H 2.351 0.020 2 861 337 84 MET HG3 H 2.237 0.020 2 862 337 84 MET C C 174.338 0.3 1 863 337 84 MET CA C 55.054 0.3 1 864 337 84 MET CB C 34.105 0.3 1 865 337 84 MET CG C 31.699 0.3 1 866 337 84 MET N N 126.810 0.3 1 867 338 85 LEU H H 8.337 0.020 1 868 338 85 LEU HA H 4.549 0.020 1 869 338 85 LEU HB2 H 1.804 0.020 1 870 338 85 LEU HB3 H 1.804 0.020 1 871 338 85 LEU HG H 1.727 0.020 1 872 338 85 LEU HD1 H 0.887 0.020 1 873 338 85 LEU HD2 H 0.583 0.020 1 874 338 85 LEU C C 174.124 0.3 1 875 338 85 LEU CA C 52.906 0.3 1 876 338 85 LEU CB C 45.989 0.3 1 877 338 85 LEU CG C 30.127 0.3 1 878 338 85 LEU CD1 C 27.135 0.3 1 879 338 85 LEU CD2 C 24.260 0.3 1 880 338 85 LEU N N 126.751 0.3 1 881 339 86 SER H H 7.592 0.020 1 882 339 86 SER HA H 5.216 0.020 1 883 339 86 SER HB2 H 3.537 0.020 1 884 339 86 SER HB3 H 3.537 0.020 1 885 339 86 SER C C 171.968 0.3 1 886 339 86 SER CA C 56.217 0.3 1 887 339 86 SER CB C 66.153 0.3 1 888 339 86 SER N N 111.555 0.3 1 889 340 87 ALA H H 8.838 0.020 1 890 340 87 ALA HA H 5.417 0.020 1 891 340 87 ALA HB H 1.001 0.020 1 892 340 87 ALA C C 174.829 0.3 1 893 340 87 ALA CA C 50.396 0.3 1 894 340 87 ALA CB C 24.573 0.3 1 895 340 87 ALA N N 124.264 0.3 1 896 341 88 HIS H H 8.102 0.020 1 897 341 88 HIS HA H 4.557 0.020 1 898 341 88 HIS HB2 H 3.032 0.020 2 899 341 88 HIS HB3 H 2.982 0.020 2 900 341 88 HIS HD2 H 6.931 0.020 1 901 341 88 HIS HE1 H 7.790 0.020 1 902 341 88 HIS C C 171.792 0.3 1 903 341 88 HIS CA C 55.770 0.3 1 904 341 88 HIS CB C 31.300 0.3 1 905 341 88 HIS CD2 C 119.365 0.3 1 906 341 88 HIS CE1 C 137.617 0.3 1 907 341 88 HIS N N 111.319 0.3 1 908 341 88 HIS ND1 N 214.022 0.3 1 909 341 88 HIS NE2 N 180.590 0.3 1 910 342 89 THR H H 8.355 0.020 1 911 342 89 THR HA H 5.007 0.020 1 912 342 89 THR HB H 3.323 0.020 1 913 342 89 THR HG2 H 0.349 0.020 1 914 342 89 THR C C 171.792 0.3 1 915 342 89 THR CA C 62.289 0.3 1 916 342 89 THR CB C 72.051 0.3 1 917 342 89 THR CG2 C 21.941 0.3 1 918 342 89 THR N N 118.696 0.3 1 919 343 90 ARG H H 8.718 0.020 1 920 343 90 ARG HA H 5.051 0.020 1 921 343 90 ARG HB2 H 1.774 0.020 2 922 343 90 ARG HB3 H 1.561 0.020 2 923 343 90 ARG HG2 H 1.511 0.020 1 924 343 90 ARG HG3 H 1.511 0.020 1 925 343 90 ARG HD2 H 3.081 0.020 2 926 343 90 ARG HD3 H 3.013 0.020 2 927 343 90 ARG C C 175.283 0.3 1 928 343 90 ARG CA C 54.520 0.3 1 929 343 90 ARG CB C 32.957 0.3 1 930 343 90 ARG CG C 27.314 0.3 1 931 343 90 ARG CD C 43.508 0.3 1 932 343 90 ARG N N 125.122 0.3 1 933 344 91 CYS H H 9.238 0.020 1 934 344 91 CYS HA H 5.921 0.020 1 935 344 91 CYS HB2 H 2.667 0.020 2 936 344 91 CYS HB3 H 2.366 0.020 2 937 344 91 CYS HG H -1.606 0.020 1 938 344 91 CYS C C 172.926 0.3 1 939 344 91 CYS CA C 56.191 0.3 1 940 344 91 CYS CB C 32.851 0.3 1 941 344 91 CYS N N 118.602 0.3 1 942 345 92 LYS H H 8.666 0.020 1 943 345 92 LYS HA H 4.835 0.020 1 944 345 92 LYS HB2 H 1.634 0.020 1 945 345 92 LYS HB3 H 1.634 0.020 1 946 345 92 LYS HG2 H 1.265 0.020 1 947 345 92 LYS HG3 H 1.265 0.020 1 948 345 92 LYS HD2 H 1.553 0.020 2 949 345 92 LYS HD3 H 1.476 0.020 2 950 345 92 LYS HE2 H 2.850 0.020 1 951 345 92 LYS HE3 H 2.850 0.020 1 952 345 92 LYS C C 173.783 0.3 1 953 345 92 LYS CA C 55.075 0.3 1 954 345 92 LYS CB C 36.849 0.3 1 955 345 92 LYS CG C 24.349 0.3 1 956 345 92 LYS CD C 29.268 0.3 1 957 345 92 LYS CE C 42.033 0.3 1 958 345 92 LYS N N 120.151 0.3 1 959 346 93 LEU H H 8.027 0.020 1 960 346 93 LEU HA H 4.329 0.020 1 961 346 93 LEU HB2 H 1.661 0.020 2 962 346 93 LEU HB3 H 1.167 0.020 2 963 346 93 LEU HG H 1.519 0.020 1 964 346 93 LEU HD1 H 0.835 0.020 1 965 346 93 LEU HD2 H 0.549 0.020 1 966 346 93 LEU C C 174.943 0.3 1 967 346 93 LEU CA C 54.737 0.3 1 968 346 93 LEU CB C 42.899 0.3 1 969 346 93 LEU CG C 26.964 0.3 1 970 346 93 LEU CD1 C 24.868 0.3 1 971 346 93 LEU CD2 C 23.412 0.3 1 972 346 93 LEU N N 127.389 0.3 1 973 347 94 CYS H H 8.817 0.020 1 974 347 94 CYS HA H 4.327 0.020 1 975 347 94 CYS HB2 H 2.088 0.020 2 976 347 94 CYS HB3 H 1.264 0.020 2 977 347 94 CYS HG H -1.830 0.020 1 978 347 94 CYS C C 172.308 0.3 1 979 347 94 CYS CA C 57.691 0.3 1 980 347 94 CYS CB C 29.148 0.3 1 981 347 94 CYS N N 125.887 0.3 1 982 348 95 TYR H H 8.381 0.020 1 983 348 95 TYR HA H 4.540 0.020 1 984 348 95 TYR HB2 H 2.930 0.020 2 985 348 95 TYR HB3 H 2.666 0.020 2 986 348 95 TYR HD1 H 7.043 0.020 1 987 348 95 TYR HD2 H 7.043 0.020 1 988 348 95 TYR HE1 H 6.665 0.020 1 989 348 95 TYR HE2 H 6.665 0.020 1 990 348 95 TYR CA C 55.537 0.3 1 991 348 95 TYR CB C 38.129 0.3 1 992 348 95 TYR CD1 C 132.700 0.3 1 993 348 95 TYR CE1 C 123.664 0.3 1 994 348 95 TYR N N 122.226 0.3 1 995 349 96 PRO HA H 4.632 0.020 1 996 349 96 PRO HB2 H 2.226 0.020 1 997 349 96 PRO HB3 H 2.226 0.020 1 998 349 96 PRO HG2 H 1.878 0.020 2 999 349 96 PRO HG3 H 1.803 0.020 2 1000 349 96 PRO HD2 H 3.551 0.020 2 1001 349 96 PRO HD3 H 3.444 0.020 2 1002 349 96 PRO CA C 62.993 0.3 1 1003 349 96 PRO CB C 31.508 0.3 1 1004 349 96 PRO CG C 24.686 0.3 1 1005 349 96 PRO CD C 50.122 0.3 1 1006 350 97 GLN HA H 4.241 0.020 1 1007 350 97 GLN HB2 H 2.148 0.020 1 1008 350 97 GLN HB3 H 2.148 0.020 1 1009 350 97 GLN HG2 H 2.393 0.020 1 1010 350 97 GLN HG3 H 2.393 0.020 1 1011 350 97 GLN CA C 56.098 0.3 1 1012 350 97 GLN CB C 28.318 0.3 1 1013 350 97 GLN CG C 33.604 0.3 1 1014 351 98 SER H H 7.472 0.020 1 1015 351 98 SER HA H 4.846 0.020 1 1016 351 98 SER HB2 H 3.908 0.020 2 1017 351 98 SER HB3 H 3.757 0.020 2 1018 351 98 SER CA C 55.211 0.3 1 1019 351 98 SER CB C 64.097 0.3 1 1020 351 98 SER N N 113.993 0.3 1 1021 352 99 PRO HA H 4.345 0.020 1 1022 352 99 PRO HB2 H 2.218 0.020 1 1023 352 99 PRO HB3 H 2.218 0.020 1 1024 352 99 PRO HG2 H 1.923 0.020 1 1025 352 99 PRO HG3 H 1.923 0.020 1 1026 352 99 PRO HD2 H 3.822 0.020 2 1027 352 99 PRO HD3 H 3.612 0.020 2 1028 352 99 PRO CA C 63.135 0.3 1 1029 352 99 PRO CB C 31.651 0.3 1 1030 352 99 PRO CG C 27.138 0.3 1 1031 352 99 PRO CD C 51.093 0.3 1 1032 353 100 ASP H H 8.229 0.020 1 1033 353 100 ASP HA H 4.493 0.020 1 1034 353 100 ASP HB2 H 2.680 0.020 2 1035 353 100 ASP HB3 H 2.576 0.020 2 1036 353 100 ASP C C 175.472 0.3 1 1037 353 100 ASP CA C 54.198 0.3 1 1038 353 100 ASP CB C 40.437 0.3 1 1039 353 100 ASP N N 115.814 0.3 1 1040 354 101 MET H H 7.433 0.020 1 1041 354 101 MET HA H 4.626 0.020 1 1042 354 101 MET HB2 H 2.156 0.020 2 1043 354 101 MET HB3 H 1.917 0.020 2 1044 354 101 MET HG2 H 2.583 0.020 2 1045 354 101 MET HG3 H 2.515 0.020 2 1046 354 101 MET C C 176.128 0.3 1 1047 354 101 MET CA C 54.381 0.3 1 1048 354 101 MET CB C 34.908 0.3 1 1049 354 101 MET CG C 32.503 0.3 1 1050 354 101 MET N N 118.796 0.3 1 1051 355 102 GLN H H 8.208 0.020 1 1052 355 102 GLN HA H 4.671 0.020 1 1053 355 102 GLN HB2 H 2.163 0.020 2 1054 355 102 GLN HB3 H 1.971 0.020 2 1055 355 102 GLN HG2 H 2.456 0.020 1 1056 355 102 GLN HG3 H 2.456 0.020 1 1057 355 102 GLN HE21 H 7.571 0.020 1 1058 355 102 GLN HE22 H 6.860 0.020 1 1059 355 102 GLN CA C 53.609 0.3 1 1060 355 102 GLN CB C 28.928 0.3 1 1061 355 102 GLN CG C 33.745 0.3 1 1062 355 102 GLN N N 120.111 0.3 1 1063 355 102 GLN NE2 N 113.232 0.3 1 1064 356 103 PRO HA H 4.730 0.020 1 1065 356 103 PRO HB2 H 2.251 0.020 1 1066 356 103 PRO HB3 H 2.251 0.020 1 1067 356 103 PRO HG2 H 2.098 0.020 1 1068 356 103 PRO HG3 H 2.098 0.020 1 1069 356 103 PRO HD2 H 3.648 0.020 1 1070 356 103 PRO HD3 H 3.648 0.020 1 1071 356 103 PRO CA C 62.871 0.3 1 1072 356 103 PRO CB C 31.669 0.3 1 1073 356 103 PRO CG C 24.336 0.3 1 1074 356 103 PRO CD C 50.390 0.3 1 1075 357 104 PHE H H 7.879 0.020 1 1076 357 104 PHE HA H 5.008 0.020 1 1077 357 104 PHE HB2 H 3.553 0.020 2 1078 357 104 PHE HB3 H 3.002 0.020 2 1079 357 104 PHE HD1 H 7.010 0.020 1 1080 357 104 PHE HD2 H 7.010 0.020 1 1081 357 104 PHE HE1 H 7.221 0.020 1 1082 357 104 PHE HE2 H 7.221 0.020 1 1083 357 104 PHE C C 172.157 0.3 1 1084 357 104 PHE CA C 55.329 0.3 1 1085 357 104 PHE CB C 40.978 0.3 1 1086 357 104 PHE CD1 C 132.350 0.3 1 1087 357 104 PHE CE1 C 130.823 0.3 1 1088 357 104 PHE N N 113.147 0.3 1 1089 358 105 ILE H H 9.519 0.020 1 1090 358 105 ILE HA H 4.562 0.020 1 1091 358 105 ILE HB H 1.713 0.020 1 1092 358 105 ILE HG12 H 1.232 0.020 1 1093 358 105 ILE HG13 H 1.232 0.020 1 1094 358 105 ILE HG2 H 0.856 0.020 1 1095 358 105 ILE HD1 H 0.710 0.020 1 1096 358 105 ILE C C 176.808 0.3 1 1097 358 105 ILE CA C 60.073 0.3 1 1098 358 105 ILE CB C 40.498 0.3 1 1099 358 105 ILE CG1 C 27.231 0.3 1 1100 358 105 ILE CG2 C 17.984 0.3 1 1101 358 105 ILE CD1 C 13.174 0.3 1 1102 358 105 ILE N N 119.881 0.3 1 1103 359 106 MET H H 9.166 0.020 1 1104 359 106 MET HA H 5.189 0.020 1 1105 359 106 MET HB2 H 2.156 0.020 2 1106 359 106 MET HB3 H 2.100 0.020 2 1107 359 106 MET HG2 H 2.635 0.020 2 1108 359 106 MET HG3 H 2.499 0.020 2 1109 359 106 MET C C 174.514 0.3 1 1110 359 106 MET CA C 54.553 0.3 1 1111 359 106 MET CB C 34.899 0.3 1 1112 359 106 MET CG C 32.168 0.3 1 1113 359 106 MET N N 131.970 0.3 1 1114 360 107 GLY H H 9.523 0.020 1 1115 360 107 GLY HA2 H 4.946 0.020 1 1116 360 107 GLY HA3 H 4.946 0.020 1 1117 360 107 GLY C C 170.405 0.3 1 1118 360 107 GLY CA C 44.093 0.3 1 1119 360 107 GLY N N 117.328 0.3 1 1120 361 108 ILE H H 8.842 0.020 1 1121 361 108 ILE HA H 4.318 0.020 1 1122 361 108 ILE HB H 1.481 0.020 1 1123 361 108 ILE HG12 H 1.303 0.020 2 1124 361 108 ILE HG13 H 0.905 0.020 2 1125 361 108 ILE HG2 H 0.681 0.020 1 1126 361 108 ILE HD1 H 0.576 0.020 1 1127 361 108 ILE C C 172.208 0.3 1 1128 361 108 ILE CA C 59.677 0.3 1 1129 361 108 ILE CB C 39.970 0.3 1 1130 361 108 ILE CG1 C 28.172 0.3 1 1131 361 108 ILE CG2 C 16.869 0.3 1 1132 361 108 ILE CD1 C 12.524 0.3 1 1133 361 108 ILE N N 124.707 0.3 1 1134 362 109 HIS H H 8.111 0.020 1 1135 362 109 HIS HA H 4.471 0.020 1 1136 362 109 HIS HB2 H 3.071 0.020 2 1137 362 109 HIS HB3 H 3.000 0.020 2 1138 362 109 HIS HD2 H 6.904 0.020 1 1139 362 109 HIS HE1 H 7.722 0.020 1 1140 362 109 HIS C C 173.871 0.3 1 1141 362 109 HIS CA C 54.155 0.3 1 1142 362 109 HIS CB C 30.427 0.3 1 1143 362 109 HIS CD2 C 118.519 0.3 1 1144 362 109 HIS CE1 C 138.208 0.3 1 1145 362 109 HIS N N 129.398 0.3 1 1146 362 109 HIS ND1 N 222.742 0.3 1 1147 362 109 HIS NE2 N 179.607 0.3 1 1148 363 110 ILE H H 8.548 0.020 1 1149 363 110 ILE HA H 4.034 0.020 1 1150 363 110 ILE HB H 1.788 0.020 1 1151 363 110 ILE HG12 H 1.206 0.020 2 1152 363 110 ILE HG13 H 0.908 0.020 2 1153 363 110 ILE HD1 H 0.558 0.020 1 1154 363 110 ILE C C 175.182 0.3 1 1155 363 110 ILE CA C 61.058 0.3 1 1156 363 110 ILE CB C 38.784 0.3 1 1157 363 110 ILE CG1 C 28.276 0.3 1 1158 363 110 ILE CG2 C 17.762 0.3 1 1159 363 110 ILE CD1 C 13.446 0.3 1 1160 363 110 ILE N N 123.940 0.3 1 1161 364 111 ILE H H 8.559 0.020 1 1162 364 111 ILE HA H 4.518 0.020 1 1163 364 111 ILE HB H 1.997 0.020 1 1164 364 111 ILE HG12 H 1.526 0.020 2 1165 364 111 ILE HG13 H 1.477 0.020 2 1166 364 111 ILE HG2 H 0.989 0.020 1 1167 364 111 ILE HD1 H 0.924 0.020 1 1168 364 111 ILE C C 175.182 0.3 1 1169 364 111 ILE CA C 59.825 0.3 1 1170 364 111 ILE CB C 37.911 0.3 1 1171 364 111 ILE CG1 C 28.851 0.3 1 1172 364 111 ILE CG2 C 19.359 0.3 1 1173 364 111 ILE CD1 C 12.440 0.3 1 1174 364 111 ILE N N 128.000 0.3 1 1175 365 112 ASP H H 9.082 0.020 1 1176 365 112 ASP HA H 4.833 0.020 1 1177 365 112 ASP HB2 H 2.637 0.020 2 1178 365 112 ASP HB3 H 2.440 0.020 2 1179 365 112 ASP C C 175.624 0.3 1 1180 365 112 ASP CA C 53.465 0.3 1 1181 365 112 ASP CB C 42.775 0.3 1 1182 365 112 ASP N N 128.637 0.3 1 1183 366 113 ARG H H 8.405 0.020 1 1184 366 113 ARG HA H 4.315 0.020 1 1185 366 113 ARG HB2 H 1.790 0.020 2 1186 366 113 ARG HB3 H 1.658 0.020 2 1187 366 113 ARG HG2 H 1.557 0.020 2 1188 366 113 ARG HG3 H 1.498 0.020 2 1189 366 113 ARG HD2 H 3.060 0.020 2 1190 366 113 ARG HD3 H 3.004 0.020 2 1191 366 113 ARG C C 176.178 0.3 1 1192 366 113 ARG CA C 55.855 0.3 1 1193 366 113 ARG CB C 31.190 0.3 1 1194 366 113 ARG CG C 27.688 0.3 1 1195 366 113 ARG CD C 42.838 0.3 1 1196 366 113 ARG N N 122.151 0.3 1 1197 367 114 GLU H H 8.371 0.020 1 1198 367 114 GLU HA H 4.187 0.020 1 1199 367 114 GLU HB2 H 1.882 0.020 2 1200 367 114 GLU HB3 H 1.828 0.020 2 1201 367 114 GLU HG2 H 2.100 0.020 2 1202 367 114 GLU HG3 H 2.030 0.020 2 1203 367 114 GLU C C 174.615 0.3 1 1204 367 114 GLU CA C 56.537 0.3 1 1205 367 114 GLU CB C 30.215 0.3 1 1206 367 114 GLU CG C 36.206 0.3 1 1207 367 114 GLU N N 121.205 0.3 1 1208 368 115 HIS H H 8.222 0.020 1 1209 368 115 HIS HA H 4.720 0.020 1 1210 368 115 HIS HB2 H 3.779 0.020 2 1211 368 115 HIS HB3 H 3.618 0.020 2 1212 368 115 HIS HD2 H 6.979 0.020 1 1213 368 115 HIS HE1 H 7.733 0.020 1 1214 368 115 HIS C C 176.090 0.3 1 1215 368 115 HIS CA C 55.990 0.3 1 1216 368 115 HIS CB C 29.935 0.3 1 1217 368 115 HIS CD2 C 119.763 0.3 1 1218 368 115 HIS CE1 C 137.033 0.3 1 1219 368 115 HIS N N 120.111 0.3 1 1220 368 115 HIS ND1 N 226.922 0.3 1 1221 368 115 HIS NE2 N 177.730 0.3 1 1222 369 116 SER H H 7.777 0.020 1 1223 369 116 SER HA H 4.672 0.020 1 1224 369 116 SER HB2 H 3.631 0.020 2 1225 369 116 SER HB3 H 3.487 0.020 2 1226 369 116 SER C C 174.779 0.3 1 1227 369 116 SER CA C 58.138 0.3 1 1228 369 116 SER CB C 63.418 0.3 1 1229 369 116 SER N N 120.328 0.3 1 1230 370 117 GLY H H 8.408 0.020 1 1231 370 117 GLY HA2 H 3.871 0.020 1 1232 370 117 GLY HA3 H 3.871 0.020 1 1233 370 117 GLY C C 173.657 0.3 1 1234 370 117 GLY CA C 45.156 0.3 1 1235 370 117 GLY N N 110.706 0.3 1 1236 371 118 LEU H H 7.956 0.020 1 1237 371 118 LEU HA H 4.327 0.020 1 1238 371 118 LEU HB2 H 1.540 0.020 2 1239 371 118 LEU HB3 H 1.500 0.020 2 1240 371 118 LEU HG H 1.502 0.020 1 1241 371 118 LEU HD1 H 0.769 0.020 1 1242 371 118 LEU HD2 H 0.765 0.020 1 1243 371 118 LEU C C 177.010 0.3 1 1244 371 118 LEU CA C 54.749 0.3 1 1245 371 118 LEU CB C 42.572 0.3 1 1246 371 118 LEU CG C 26.916 0.3 1 1247 371 118 LEU CD1 C 24.574 0.3 1 1248 371 118 LEU CD2 C 23.395 0.3 1 1249 371 118 LEU N N 121.271 0.3 1 1250 372 119 SER H H 8.304 0.020 1 1251 372 119 SER HA H 4.194 0.020 1 1252 372 119 SER HB2 H 3.829 0.020 2 1253 372 119 SER HB3 H 3.778 0.020 2 1254 372 119 SER CA C 55.998 0.3 1 1255 372 119 SER CB C 62.705 0.3 1 1256 372 119 SER N N 118.133 0.3 1 1257 374 121 GLN H H 8.292 0.020 1 1258 374 121 GLN HA H 4.238 0.020 1 1259 374 121 GLN HB2 H 2.154 0.020 2 1260 374 121 GLN HB3 H 1.967 0.020 2 1261 374 121 GLN HG2 H 2.292 0.020 1 1262 374 121 GLN HG3 H 2.292 0.020 1 1263 374 121 GLN HE21 H 7.235 0.020 1 1264 374 121 GLN HE22 H 6.639 0.020 1 1265 374 121 GLN C C 175.460 0.3 1 1266 374 121 GLN CA C 55.848 0.3 1 1267 374 121 GLN CB C 28.904 0.3 1 1268 374 121 GLN CG C 33.799 0.3 1 1269 374 121 GLN N N 119.611 0.3 1 1270 374 121 GLN NE2 N 110.282 0.3 1 1271 375 122 ASP H H 8.143 0.020 1 1272 375 122 ASP HA H 4.558 0.020 1 1273 375 122 ASP HB2 H 2.660 0.020 2 1274 375 122 ASP HB3 H 2.607 0.020 2 1275 375 122 ASP C C 175.813 0.3 1 1276 375 122 ASP CA C 54.269 0.3 1 1277 375 122 ASP CB C 41.225 0.3 1 1278 375 122 ASP N N 121.333 0.3 1 1279 376 123 ASP H H 8.253 0.020 1 1280 376 123 ASP HA H 4.599 0.020 1 1281 376 123 ASP HB2 H 2.658 0.020 2 1282 376 123 ASP HB3 H 2.604 0.020 2 1283 376 123 ASP C C 176.796 0.3 1 1284 376 123 ASP CA C 54.344 0.3 1 1285 376 123 ASP CB C 41.186 0.3 1 1286 376 123 ASP N N 121.287 0.3 1 1287 377 124 THR H H 8.168 0.020 1 1288 377 124 THR HA H 4.198 0.020 1 1289 377 124 THR HB H 4.204 0.020 1 1290 377 124 THR HG1 H -1.712 0.020 1 1291 377 124 THR HG2 H 1.145 0.020 1 1292 377 124 THR C C 174.867 0.3 1 1293 377 124 THR CA C 62.616 0.3 1 1294 377 124 THR CB C 69.411 0.3 1 1295 377 124 THR CG2 C 21.658 0.3 1 1296 377 124 THR N N 114.144 0.3 1 1297 378 125 ASN H H 8.357 0.020 1 1298 378 125 ASN HA H 4.702 0.020 1 1299 378 125 ASN HB2 H 2.837 0.020 2 1300 378 125 ASN HB3 H 2.724 0.020 2 1301 378 125 ASN HD21 H 7.543 0.020 1 1302 378 125 ASN HD22 H 6.818 0.020 1 1303 378 125 ASN C C 175.384 0.3 1 1304 378 125 ASN CA C 53.442 0.3 1 1305 378 125 ASN CB C 38.761 0.3 1 1306 378 125 ASN N N 120.498 0.3 1 1307 378 125 ASN ND2 N 112.395 0.3 1 1308 379 126 SER H H 8.169 0.020 1 1309 379 126 SER HA H 4.684 0.020 1 1310 379 126 SER HB2 H 3.800 0.020 2 1311 379 126 SER HB3 H 3.759 0.020 2 1312 379 126 SER C C 175.069 0.3 1 1313 379 126 SER CA C 58.644 0.3 1 1314 379 126 SER CB C 63.238 0.3 1 1315 379 126 SER N N 115.913 0.3 1 1316 380 127 GLY H H 8.363 0.020 1 1317 380 127 GLY HA2 H 3.813 0.020 1 1318 380 127 GLY HA3 H 3.813 0.020 1 1319 380 127 GLY C C 174.073 0.3 1 1320 380 127 GLY CA C 45.200 0.3 1 1321 380 127 GLY N N 110.469 0.3 1 1322 381 128 MET H H 7.988 0.020 1 1323 381 128 MET HA H 4.459 0.020 1 1324 381 128 MET HB2 H 2.015 0.020 2 1325 381 128 MET HB3 H 1.904 0.020 2 1326 381 128 MET HG2 H 2.451 0.020 2 1327 381 128 MET HG3 H 2.354 0.020 2 1328 381 128 MET C C 175.964 0.3 1 1329 381 128 MET CA C 55.305 0.3 1 1330 381 128 MET CB C 32.781 0.3 1 1331 381 128 MET CG C 32.028 0.3 1 1332 381 128 MET N N 119.429 0.3 1 1333 382 129 SER H H 8.217 0.020 1 1334 382 129 SER HA H 4.347 0.020 1 1335 382 129 SER HB2 H 3.789 0.020 2 1336 382 129 SER HB3 H 3.643 0.020 2 1337 382 129 SER C C 173.771 0.3 1 1338 382 129 SER CA C 58.163 0.3 1 1339 382 129 SER CB C 63.728 0.3 1 1340 382 129 SER N N 117.103 0.3 1 1341 383 130 ILE H H 7.963 0.020 1 1342 383 130 ILE HA H 4.415 0.020 1 1343 383 130 ILE HB H 1.790 0.020 1 1344 383 130 ILE HG12 H 1.087 0.020 1 1345 383 130 ILE HG13 H 1.087 0.020 1 1346 383 130 ILE HG2 H 0.894 0.020 1 1347 383 130 ILE HD1 H 0.791 0.020 1 1348 383 130 ILE CA C 58.474 0.3 1 1349 383 130 ILE CB C 38.783 0.3 1 1350 383 130 ILE CG1 C 26.951 0.3 1 1351 383 130 ILE CG2 C 16.996 0.3 1 1352 383 130 ILE CD1 C 12.790 0.3 1 1353 383 130 ILE N N 123.933 0.3 1 1354 384 131 PRO HA H 4.349 0.020 1 1355 384 131 PRO HB2 H 2.224 0.020 1 1356 384 131 PRO HB3 H 2.224 0.020 1 1357 384 131 PRO HG2 H 1.889 0.020 1 1358 384 131 PRO HG3 H 1.889 0.020 1 1359 384 131 PRO HD2 H 3.716 0.020 2 1360 384 131 PRO HD3 H 3.659 0.020 2 1361 384 131 PRO CA C 63.506 0.3 1 1362 384 131 PRO CB C 31.709 0.3 1 1363 384 131 PRO CG C 27.160 0.3 1 1364 384 131 PRO CD C 50.961 0.3 1 1365 385 132 ARG H H 7.848 0.020 1 1366 385 132 ARG HA H 4.110 0.020 1 1367 385 132 ARG HB2 H 1.786 0.020 2 1368 385 132 ARG HB3 H 1.649 0.020 2 1369 385 132 ARG HG2 H 1.611 0.020 1 1370 385 132 ARG HG3 H 1.611 0.020 1 1371 385 132 ARG HD2 H 3.138 0.020 1 1372 385 132 ARG HD3 H 3.138 0.020 1 1373 385 132 ARG CA C 57.254 0.3 1 1374 385 132 ARG CB C 31.726 0.3 1 1375 385 132 ARG CG C 27.232 0.3 1 1376 385 132 ARG CD C 43.213 0.3 1 1377 385 132 ARG N N 126.781 0.3 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D CBCA(CO)NH' '3D HNCA' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H,13C-edited/12C-filter NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_7 $sample_8 $sample_5 $sample_4 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 1 784 2 THR H H 7.980 0.020 1 2 784 2 THR HA H 4.345 0.020 1 3 784 2 THR HB H 4.107 0.020 1 4 784 2 THR HG2 H 1.126 0.020 1 5 784 2 THR C C 173.953 0.3 1 6 784 2 THR CA C 62.016 0.3 1 7 784 2 THR CB C 69.828 0.3 1 8 784 2 THR CG2 C 21.495 0.3 1 9 784 2 THR N N 116.988 0.3 1 10 785 3 TRP H H 8.303 0.020 1 11 785 3 TRP HA H 4.727 0.020 1 12 785 3 TRP HB2 H 3.268 0.020 2 13 785 3 TRP HB3 H 3.235 0.020 2 14 785 3 TRP HD1 H 7.151 0.020 1 15 785 3 TRP HE1 H 10.151 0.020 1 16 785 3 TRP HE3 H 7.236 0.020 1 17 785 3 TRP HZ2 H 7.437 0.020 1 18 785 3 TRP HZ3 H 7.599 0.020 1 19 785 3 TRP HH2 H 7.080 0.020 1 20 785 3 TRP C C 175.764 0.3 1 21 785 3 TRP CA C 57.205 0.3 1 22 785 3 TRP CB C 29.624 0.3 1 23 785 3 TRP CD1 C 124.565 0.3 1 24 785 3 TRP CE3 C 127.317 0.3 1 25 785 3 TRP CZ2 C 114.540 0.3 1 26 785 3 TRP CZ3 C 120.967 0.3 1 27 785 3 TRP CH2 C 121.940 0.3 1 28 785 3 TRP N N 124.058 0.3 1 29 785 3 TRP NE1 N 129.685 0.3 1 30 786 4 ILE H H 7.877 0.020 1 31 786 4 ILE HA H 4.049 0.020 1 32 786 4 ILE HB H 1.712 0.020 1 33 786 4 ILE HG12 H 1.279 0.020 2 34 786 4 ILE HG13 H 1.009 0.020 2 35 786 4 ILE HG2 H 0.785 0.020 1 36 786 4 ILE HD1 H 0.766 0.020 1 37 786 4 ILE C C 175.747 0.3 1 38 786 4 ILE CA C 61.102 0.3 1 39 786 4 ILE CB C 38.749 0.3 1 40 786 4 ILE CG1 C 27.113 0.3 1 41 786 4 ILE CG2 C 17.371 0.3 1 42 786 4 ILE CD1 C 13.059 0.3 1 43 786 4 ILE N N 123.272 0.3 1 44 787 5 GLY H H 7.560 0.020 1 45 787 5 GLY HA2 H 3.711 0.020 1 46 787 5 GLY HA3 H 3.711 0.020 1 47 787 5 GLY C C 173.678 0.3 1 48 787 5 GLY CA C 45.119 0.3 1 49 787 5 GLY N N 111.322 0.3 1 50 788 6 GLU H H 8.083 0.020 1 51 788 6 GLU HA H 4.225 0.020 1 52 788 6 GLU HB2 H 2.028 0.020 2 53 788 6 GLU HB3 H 1.886 0.020 2 54 788 6 GLU HG2 H 2.236 0.020 1 55 788 6 GLU HG3 H 2.236 0.020 1 56 788 6 GLU C C 176.023 0.3 1 57 788 6 GLU CA C 56.392 0.3 1 58 788 6 GLU CB C 30.487 0.3 1 59 788 6 GLU CG C 36.233 0.3 1 60 788 6 GLU N N 119.978 0.3 1 61 789 7 ASP H H 8.357 0.020 1 62 789 7 ASP HA H 4.556 0.020 1 63 789 7 ASP HB2 H 2.649 0.020 2 64 789 7 ASP HB3 H 2.559 0.020 2 65 789 7 ASP C C 175.851 0.3 1 66 789 7 ASP CA C 54.196 0.3 1 67 789 7 ASP CB C 40.918 0.3 1 68 789 7 ASP N N 120.222 0.3 1 69 790 8 ILE H H 7.677 0.020 1 70 790 8 ILE HA H 4.065 0.020 1 71 790 8 ILE HB H 1.679 0.020 1 72 790 8 ILE HG12 H 1.089 0.020 2 73 790 8 ILE HG13 H 0.958 0.020 2 74 790 8 ILE HG2 H 0.644 0.020 1 75 790 8 ILE HD1 H 0.691 0.020 1 76 790 8 ILE C C 175.419 0.3 1 77 790 8 ILE CA C 61.117 0.3 1 78 790 8 ILE CB C 38.759 0.3 1 79 790 8 ILE CG1 C 26.772 0.3 1 80 790 8 ILE CG2 C 17.460 0.3 1 81 790 8 ILE CD1 C 13.029 0.3 1 82 790 8 ILE N N 118.688 0.3 1 83 791 9 PHE H H 8.042 0.020 1 84 791 9 PHE HA H 4.868 0.020 1 85 791 9 PHE HB2 H 3.062 0.020 2 86 791 9 PHE HB3 H 2.855 0.020 2 87 791 9 PHE HD1 H 7.342 0.020 3 88 791 9 PHE HD2 H 7.203 0.020 3 89 791 9 PHE HE1 H 7.267 0.020 3 90 791 9 PHE HE2 H 7.395 0.020 3 91 791 9 PHE CA C 55.469 0.3 1 92 791 9 PHE CB C 39.104 0.3 1 93 791 9 PHE CD1 C 130.233 0.3 1 94 791 9 PHE CD2 C 129.713 0.3 1 95 791 9 PHE CE1 C 131.600 0.3 1 96 791 9 PHE CE2 C 131.678 0.3 1 97 791 9 PHE N N 122.610 0.3 1 98 792 10 PRO HA H 4.647 0.020 1 99 792 10 PRO HB2 H 2.328 0.020 2 100 792 10 PRO HB3 H 1.880 0.020 2 101 792 10 PRO HG2 H 1.974 0.020 1 102 792 10 PRO HG3 H 1.974 0.020 1 103 792 10 PRO HD2 H 3.863 0.020 1 104 792 10 PRO HD3 H 3.863 0.020 1 105 792 10 PRO C C 176.698 0.3 1 106 792 10 PRO CA C 61.555 0.3 1 107 792 10 PRO CB C 30.678 0.3 1 108 792 10 PRO CG C 27.520 0.3 1 109 792 10 PRO CD C 50.611 0.3 1 110 793 11 PRO HA H 4.289 0.020 1 111 793 11 PRO HB2 H 2.191 0.020 2 112 793 11 PRO HB3 H 1.814 0.020 2 113 793 11 PRO HG2 H 1.998 0.020 1 114 793 11 PRO HG3 H 1.998 0.020 1 115 793 11 PRO HD2 H 3.753 0.020 1 116 793 11 PRO HD3 H 3.753 0.020 1 117 793 11 PRO C C 175.923 0.3 1 118 793 11 PRO CA C 63.115 0.3 1 119 793 11 PRO CB C 31.688 0.3 1 120 793 11 PRO CG C 27.310 0.3 1 121 793 11 PRO CD C 50.260 0.3 1 122 794 12 LEU H H 7.928 0.020 1 123 794 12 LEU HA H 4.343 0.020 1 124 794 12 LEU HB2 H 1.535 0.020 2 125 794 12 LEU HB3 H 1.321 0.020 2 126 794 12 LEU HG H 1.399 0.020 1 127 794 12 LEU HD1 H 0.539 0.020 1 128 794 12 LEU HD2 H 0.444 0.020 1 129 794 12 LEU C C 175.402 0.3 1 130 794 12 LEU CA C 54.650 0.3 1 131 794 12 LEU CB C 42.737 0.3 1 132 794 12 LEU CG C 27.474 0.3 1 133 794 12 LEU CD1 C 24.354 0.3 1 134 794 12 LEU CD2 C 24.878 0.3 1 135 794 12 LEU N N 122.294 0.3 1 136 795 13 LEU H H 8.339 0.020 1 137 795 13 LEU HA H 4.716 0.020 1 138 795 13 LEU HB2 H 1.538 0.020 2 139 795 13 LEU HB3 H 1.476 0.020 2 140 795 13 LEU HG H 1.382 0.020 1 141 795 13 LEU HD1 H 0.890 0.020 1 142 795 13 LEU HD2 H 0.876 0.020 1 143 795 13 LEU CA C 52.255 0.3 1 144 795 13 LEU CB C 41.818 0.3 1 145 795 13 LEU CG C 27.436 0.3 1 146 795 13 LEU CD1 C 25.033 0.3 1 147 795 13 LEU CD2 C 23.168 0.3 1 148 795 13 LEU N N 126.737 0.3 1 149 796 14 PRO HA H 4.672 0.020 1 150 796 14 PRO HB2 H 2.070 0.020 2 151 796 14 PRO HB3 H 1.772 0.020 2 152 796 14 PRO HG2 H 1.549 0.020 1 153 796 14 PRO HG3 H 1.549 0.020 1 154 796 14 PRO HD2 H 3.400 0.020 1 155 796 14 PRO HD3 H 3.400 0.020 1 156 796 14 PRO CA C 61.167 0.3 1 157 796 14 PRO CB C 32.615 0.3 1 158 796 14 PRO CG C 24.963 0.3 1 159 796 14 PRO CD C 49.885 0.3 1 160 797 15 PRO HA H 4.550 0.020 1 161 797 15 PRO HB2 H 2.242 0.020 2 162 797 15 PRO HB3 H 1.740 0.020 2 163 797 15 PRO HG2 H 1.982 0.020 1 164 797 15 PRO HG3 H 1.982 0.020 1 165 797 15 PRO HD2 H 3.582 0.020 1 166 797 15 PRO HD3 H 3.582 0.020 1 167 797 15 PRO CA C 61.769 0.3 1 168 797 15 PRO CB C 31.127 0.3 1 169 797 15 PRO CG C 27.310 0.3 1 170 797 15 PRO CD C 50.410 0.3 1 171 798 16 THR H H 8.646 0.020 1 172 798 16 THR HA H 4.365 0.020 1 173 798 16 THR HB H 4.014 0.020 1 174 798 16 THR HG2 H 1.340 0.020 1 175 798 16 THR C C 175.127 0.3 1 176 798 16 THR CA C 60.799 0.3 1 177 798 16 THR CB C 70.325 0.3 1 178 798 16 THR CG2 C 21.855 0.3 1 179 798 16 THR N N 112.353 0.3 1 180 799 17 GLU H H 8.848 0.020 1 181 799 17 GLU HA H 4.048 0.020 1 182 799 17 GLU HB2 H 2.046 0.020 2 183 799 17 GLU HB3 H 1.965 0.020 2 184 799 17 GLU HG2 H 2.245 0.020 1 185 799 17 GLU HG3 H 2.245 0.020 1 186 799 17 GLU C C 176.540 0.3 1 187 799 17 GLU CA C 59.592 0.3 1 188 799 17 GLU CB C 29.295 0.3 1 189 799 17 GLU CG C 35.859 0.3 1 190 799 17 GLU N N 121.082 0.3 1 191 800 18 GLN H H 8.339 0.020 1 192 800 18 GLN HA H 4.051 0.020 1 193 800 18 GLN HB2 H 2.049 0.020 2 194 800 18 GLN HB3 H 1.973 0.020 2 195 800 18 GLN HG2 H 2.455 0.020 2 196 800 18 GLN HG3 H 2.405 0.020 2 197 800 18 GLN HE21 H 7.505 0.020 1 198 800 18 GLN HE22 H 6.840 0.020 1 199 800 18 GLN C C 178.593 0.3 1 200 800 18 GLN CA C 59.252 0.3 1 201 800 18 GLN CB C 28.106 0.3 1 202 800 18 GLN CG C 34.130 0.3 1 203 800 18 GLN N N 117.757 0.3 1 204 800 18 GLN NE2 N 112.068 0.3 1 205 801 19 ASP H H 7.818 0.020 1 206 801 19 ASP HA H 4.343 0.020 1 207 801 19 ASP HB2 H 2.915 0.020 2 208 801 19 ASP HB3 H 2.542 0.020 2 209 801 19 ASP C C 178.765 0.3 1 210 801 19 ASP CA C 57.200 0.3 1 211 801 19 ASP CB C 40.417 0.3 1 212 801 19 ASP N N 121.660 0.3 1 213 802 20 LEU H H 8.386 0.020 1 214 802 20 LEU HA H 3.895 0.020 1 215 802 20 LEU HB2 H 1.768 0.020 2 216 802 20 LEU HB3 H 1.353 0.020 2 217 802 20 LEU HG H 1.570 0.020 1 218 802 20 LEU HD1 H 0.662 0.020 1 219 802 20 LEU HD2 H 0.640 0.020 1 220 802 20 LEU C C 178.161 0.3 1 221 802 20 LEU CA C 57.960 0.3 1 222 802 20 LEU CB C 41.594 0.3 1 223 802 20 LEU CG C 27.216 0.3 1 224 802 20 LEU CD1 C 25.571 0.3 1 225 802 20 LEU CD2 C 24.251 0.3 1 226 802 20 LEU N N 119.588 0.3 1 227 803 21 THR H H 8.314 0.020 1 228 803 21 THR HA H 3.700 0.020 1 229 803 21 THR HB H 4.270 0.020 1 230 803 21 THR HG2 H 1.178 0.020 1 231 803 21 THR C C 175.592 0.3 1 232 803 21 THR CA C 67.032 0.3 1 233 803 21 THR CB C 68.685 0.3 1 234 803 21 THR CG2 C 21.948 0.3 1 235 803 21 THR N N 116.375 0.3 1 236 804 22 LYS H H 7.450 0.020 1 237 804 22 LYS HA H 3.998 0.020 1 238 804 22 LYS HB2 H 1.959 0.020 2 239 804 22 LYS HB3 H 1.919 0.020 2 240 804 22 LYS HG2 H 1.682 0.020 1 241 804 22 LYS HG3 H 1.682 0.020 1 242 804 22 LYS HD2 H 1.536 0.020 2 243 804 22 LYS HD3 H 1.385 0.020 2 244 804 22 LYS HE2 H 2.967 0.020 1 245 804 22 LYS HE3 H 2.967 0.020 1 246 804 22 LYS C C 178.765 0.3 1 247 804 22 LYS CA C 59.701 0.3 1 248 804 22 LYS CB C 32.339 0.3 1 249 804 22 LYS CG C 29.403 0.3 1 250 804 22 LYS CD C 24.912 0.3 1 251 804 22 LYS CE C 42.096 0.3 1 252 804 22 LYS N N 120.235 0.3 1 253 805 23 LEU H H 8.038 0.020 1 254 805 23 LEU HA H 4.109 0.020 1 255 805 23 LEU HB2 H 1.956 0.020 1 256 805 23 LEU HB3 H 1.956 0.020 1 257 805 23 LEU HG H 1.787 0.020 1 258 805 23 LEU HD1 H 0.702 0.020 1 259 805 23 LEU HD2 H 0.770 0.020 1 260 805 23 LEU C C 180.076 0.3 1 261 805 23 LEU CA C 57.464 0.3 1 262 805 23 LEU CB C 42.935 0.3 1 263 805 23 LEU CG C 26.825 0.3 1 264 805 23 LEU CD1 C 25.474 0.3 1 265 805 23 LEU CD2 C 23.360 0.3 1 266 805 23 LEU N N 118.320 0.3 1 267 806 24 LEU H H 8.356 0.020 1 268 806 24 LEU HA H 4.266 0.020 1 269 806 24 LEU HB2 H 1.959 0.020 1 270 806 24 LEU HB3 H 1.959 0.020 1 271 806 24 LEU HG H 1.800 0.020 1 272 806 24 LEU HD1 H 0.681 0.020 1 273 806 24 LEU HD2 H 0.681 0.020 1 274 806 24 LEU C C 178.593 0.3 1 275 806 24 LEU CA C 56.771 0.3 1 276 806 24 LEU CB C 42.103 0.3 1 277 806 24 LEU CG C 26.867 0.3 1 278 806 24 LEU CD1 C 25.604 0.3 1 279 806 24 LEU N N 118.663 0.3 1 280 807 25 LEU H H 7.756 0.020 1 281 807 25 LEU HA H 4.318 0.020 1 282 807 25 LEU HB2 H 1.856 0.020 2 283 807 25 LEU HB3 H 1.637 0.020 2 284 807 25 LEU HG H 1.785 0.020 1 285 807 25 LEU HD1 H 0.889 0.020 1 286 807 25 LEU HD2 H 0.889 0.020 1 287 807 25 LEU C C 178.765 0.3 1 288 807 25 LEU CA C 56.603 0.3 1 289 807 25 LEU CB C 42.295 0.3 1 290 807 25 LEU CG C 26.751 0.3 1 291 807 25 LEU CD1 C 25.045 0.3 1 292 807 25 LEU CD2 C 23.068 0.3 1 293 807 25 LEU N N 119.526 0.3 1 294 808 26 GLU H H 8.011 0.020 1 295 808 26 GLU HA H 4.214 0.020 1 296 808 26 GLU HB2 H 2.098 0.020 1 297 808 26 GLU HB3 H 2.098 0.020 1 298 808 26 GLU HG2 H 2.423 0.020 2 299 808 26 GLU HG3 H 2.300 0.020 2 300 808 26 GLU C C 177.821 0.3 1 301 808 26 GLU CA C 57.819 0.3 1 302 808 26 GLU CB C 29.930 0.3 1 303 808 26 GLU CG C 36.463 0.3 1 304 808 26 GLU N N 119.877 0.3 1 305 809 27 GLY H H 8.163 0.020 1 306 809 27 GLY HA2 H 4.112 0.020 2 307 809 27 GLY HA3 H 4.056 0.020 2 308 809 27 GLY C C 174.643 0.3 1 309 809 27 GLY CA C 45.818 0.3 1 310 809 27 GLY N N 108.206 0.3 1 311 810 28 GLN H H 7.904 0.020 1 312 810 28 GLN HA H 4.337 0.020 1 313 810 28 GLN HB2 H 2.217 0.020 2 314 810 28 GLN HB3 H 2.063 0.020 2 315 810 28 GLN HG2 H 2.439 0.020 2 316 810 28 GLN HG3 H 2.342 0.020 2 317 810 28 GLN HE21 H 7.454 0.020 1 318 810 28 GLN HE22 H 6.873 0.020 1 319 810 28 GLN C C 176.321 0.3 1 320 810 28 GLN CA C 56.364 0.3 1 321 810 28 GLN CB C 29.511 0.3 1 322 810 28 GLN CG C 34.027 0.3 1 323 810 28 GLN N N 119.140 0.3 1 324 810 28 GLN NE2 N 111.779 0.3 1 325 811 29 GLY H H 8.231 0.020 1 326 811 29 GLY HA2 H 3.993 0.020 1 327 811 29 GLY HA3 H 3.993 0.020 1 328 811 29 GLY C C 174.057 0.3 1 329 811 29 GLY CA C 45.337 0.3 1 330 811 29 GLY N N 109.004 0.3 1 331 812 30 GLU H H 8.270 0.020 1 332 812 30 GLU HA H 4.359 0.020 1 333 812 30 GLU HB2 H 2.090 0.020 2 334 812 30 GLU HB3 H 1.933 0.020 2 335 812 30 GLU HG2 H 2.249 0.020 1 336 812 30 GLU HG3 H 2.249 0.020 1 337 812 30 GLU C C 176.573 0.3 1 338 812 30 GLU CA C 56.419 0.3 1 339 812 30 GLU CB C 30.424 0.3 1 340 812 30 GLU CG C 36.270 0.3 1 341 812 30 GLU N N 120.578 0.3 1 342 813 31 SER H H 8.350 0.020 1 343 813 31 SER HA H 4.476 0.020 1 344 813 31 SER HB2 H 3.881 0.020 2 345 813 31 SER HB3 H 3.863 0.020 2 346 813 31 SER C C 173.953 0.3 1 347 813 31 SER CA C 58.305 0.3 1 348 813 31 SER CB C 64.104 0.3 1 349 813 31 SER N N 116.721 0.3 1 350 814 32 GLY H H 7.986 0.020 1 351 814 32 GLY HA2 H 3.758 0.020 1 352 814 32 GLY HA3 H 3.758 0.020 1 353 814 32 GLY CA C 46.229 0.3 1 354 814 32 GLY N N 117.021 0.3 1 stop_ save_