data_51790 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51790 _Entry.Title ; NMR resonance assignments of the Arabidopsis thaliana minimal interaction domains of DRB7.2:DRB4 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-22 _Entry.Accession_date 2023-01-22 _Entry.Last_release_date 2023-01-23 _Entry.Original_release_date 2023-01-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; The repository contains near-complete backbone and partial side-chain assignments of the minimal interacting domains, DRB7.2:DRB4D3 complex. The chemical shifts of the domain of DRB7.2 are listed here. For the DRB4 domain, please see the repository with the entry title "NMR resonance assignments of the Arabidopsis thaliana minimal interaction domains of DRB4:DRB7.2 complex". ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sneha Paturi . . . 0000-0003-2468-8383 51790 2 Mandar Deshmukh . V. . 0000-0003-2447-9725 51790 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51790 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 51790 '15N chemical shifts' 85 51790 '1H chemical shifts' 470 51790 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-12-05 2023-01-22 update BMRB 'update entry citation' 51790 1 . . 2023-06-19 2023-01-22 original author 'original release' 51790 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51791 'chemical shifts of the domain of DRB4D3, in DRB7.2:DRB4 complex' 51790 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51790 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37256435 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of 18.5 kDa complex of Arabidopsis thaliana DRB7.2:DRB4 interaction domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 173 _Citation.Page_last 178 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sneha Paturi . . . . 51790 1 2 Mandar Deshmukh . V. . . 51790 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51790 _Assembly.ID 1 _Assembly.Name 'DRB7.2:DRB4 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DRB7.2M 1 $entity_1 . . yes native no no . . . 51790 1 2 DRB4D3 2 $entity_2 . . no native no no . . . 51790 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 51790 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51790 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMTTEPTTEEETQRSSAKS QLYNLCSVRHWKAPLYEYIA EGPCHMKIFTGKVTVEMKED SRITVLECFGNPQYKKKIAA EQAAEAALWYLKNVGLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment DRB7.2M _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes TAIR AT4G00420 . DRB7.2 . . . . . . . . . . . . . . 51790 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'The DRB7.2:DRB4 complex inhibits Dicer-like 3 (DCL3) mediated processing of endoIR-derived noncoding dsRNA precursor.' 51790 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 68 GLY . 51790 1 2 69 ALA . 51790 1 3 70 MET . 51790 1 4 71 THR . 51790 1 5 72 THR . 51790 1 6 73 GLU . 51790 1 7 74 PRO . 51790 1 8 75 THR . 51790 1 9 76 THR . 51790 1 10 77 GLU . 51790 1 11 78 GLU . 51790 1 12 79 GLU . 51790 1 13 80 THR . 51790 1 14 81 GLN . 51790 1 15 82 ARG . 51790 1 16 83 SER . 51790 1 17 84 SER . 51790 1 18 85 ALA . 51790 1 19 86 LYS . 51790 1 20 87 SER . 51790 1 21 88 GLN . 51790 1 22 89 LEU . 51790 1 23 90 TYR . 51790 1 24 91 ASN . 51790 1 25 92 LEU . 51790 1 26 93 CYS . 51790 1 27 94 SER . 51790 1 28 95 VAL . 51790 1 29 96 ARG . 51790 1 30 97 HIS . 51790 1 31 98 TRP . 51790 1 32 99 LYS . 51790 1 33 100 ALA . 51790 1 34 101 PRO . 51790 1 35 102 LEU . 51790 1 36 103 TYR . 51790 1 37 104 GLU . 51790 1 38 105 TYR . 51790 1 39 106 ILE . 51790 1 40 107 ALA . 51790 1 41 108 GLU . 51790 1 42 109 GLY . 51790 1 43 110 PRO . 51790 1 44 111 CYS . 51790 1 45 112 HIS . 51790 1 46 113 MET . 51790 1 47 114 LYS . 51790 1 48 115 ILE . 51790 1 49 116 PHE . 51790 1 50 117 THR . 51790 1 51 118 GLY . 51790 1 52 119 LYS . 51790 1 53 120 VAL . 51790 1 54 121 THR . 51790 1 55 122 VAL . 51790 1 56 123 GLU . 51790 1 57 124 MET . 51790 1 58 125 LYS . 51790 1 59 126 GLU . 51790 1 60 127 ASP . 51790 1 61 128 SER . 51790 1 62 129 ARG . 51790 1 63 130 ILE . 51790 1 64 131 THR . 51790 1 65 132 VAL . 51790 1 66 133 LEU . 51790 1 67 134 GLU . 51790 1 68 135 CYS . 51790 1 69 136 PHE . 51790 1 70 137 GLY . 51790 1 71 138 ASN . 51790 1 72 139 PRO . 51790 1 73 140 GLN . 51790 1 74 141 TYR . 51790 1 75 142 LYS . 51790 1 76 143 LYS . 51790 1 77 144 LYS . 51790 1 78 145 ILE . 51790 1 79 146 ALA . 51790 1 80 147 ALA . 51790 1 81 148 GLU . 51790 1 82 149 GLN . 51790 1 83 150 ALA . 51790 1 84 151 ALA . 51790 1 85 152 GLU . 51790 1 86 153 ALA . 51790 1 87 154 ALA . 51790 1 88 155 LEU . 51790 1 89 156 TRP . 51790 1 90 157 TYR . 51790 1 91 158 LEU . 51790 1 92 159 LYS . 51790 1 93 160 ASN . 51790 1 94 161 VAL . 51790 1 95 162 GLY . 51790 1 96 163 LEU . 51790 1 97 164 GLU . 51790 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51790 1 . ALA 2 2 51790 1 . MET 3 3 51790 1 . THR 4 4 51790 1 . THR 5 5 51790 1 . GLU 6 6 51790 1 . PRO 7 7 51790 1 . THR 8 8 51790 1 . THR 9 9 51790 1 . GLU 10 10 51790 1 . GLU 11 11 51790 1 . GLU 12 12 51790 1 . THR 13 13 51790 1 . GLN 14 14 51790 1 . ARG 15 15 51790 1 . SER 16 16 51790 1 . SER 17 17 51790 1 . ALA 18 18 51790 1 . LYS 19 19 51790 1 . SER 20 20 51790 1 . GLN 21 21 51790 1 . LEU 22 22 51790 1 . TYR 23 23 51790 1 . ASN 24 24 51790 1 . LEU 25 25 51790 1 . CYS 26 26 51790 1 . SER 27 27 51790 1 . VAL 28 28 51790 1 . ARG 29 29 51790 1 . HIS 30 30 51790 1 . TRP 31 31 51790 1 . LYS 32 32 51790 1 . ALA 33 33 51790 1 . PRO 34 34 51790 1 . LEU 35 35 51790 1 . TYR 36 36 51790 1 . GLU 37 37 51790 1 . TYR 38 38 51790 1 . ILE 39 39 51790 1 . ALA 40 40 51790 1 . GLU 41 41 51790 1 . GLY 42 42 51790 1 . PRO 43 43 51790 1 . CYS 44 44 51790 1 . HIS 45 45 51790 1 . MET 46 46 51790 1 . LYS 47 47 51790 1 . ILE 48 48 51790 1 . PHE 49 49 51790 1 . THR 50 50 51790 1 . GLY 51 51 51790 1 . LYS 52 52 51790 1 . VAL 53 53 51790 1 . THR 54 54 51790 1 . VAL 55 55 51790 1 . GLU 56 56 51790 1 . MET 57 57 51790 1 . LYS 58 58 51790 1 . GLU 59 59 51790 1 . ASP 60 60 51790 1 . SER 61 61 51790 1 . ARG 62 62 51790 1 . ILE 63 63 51790 1 . THR 64 64 51790 1 . VAL 65 65 51790 1 . LEU 66 66 51790 1 . GLU 67 67 51790 1 . CYS 68 68 51790 1 . PHE 69 69 51790 1 . GLY 70 70 51790 1 . ASN 71 71 51790 1 . PRO 72 72 51790 1 . GLN 73 73 51790 1 . TYR 74 74 51790 1 . LYS 75 75 51790 1 . LYS 76 76 51790 1 . LYS 77 77 51790 1 . ILE 78 78 51790 1 . ALA 79 79 51790 1 . ALA 80 80 51790 1 . GLU 81 81 51790 1 . GLN 82 82 51790 1 . ALA 83 83 51790 1 . ALA 84 84 51790 1 . GLU 85 85 51790 1 . ALA 86 86 51790 1 . ALA 87 87 51790 1 . LEU 88 88 51790 1 . TRP 89 89 51790 1 . TYR 90 90 51790 1 . LEU 91 91 51790 1 . LYS 92 92 51790 1 . ASN 93 93 51790 1 . VAL 94 94 51790 1 . GLY 95 95 51790 1 . LEU 96 96 51790 1 . GLU 97 97 51790 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51790 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; METSSCVVDESEKKKLIMGT GHLSIPTGQHVVCRPWNPEI TLPQDAEMLFRDDKFIAYRL VKPLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes TAIR AT3G62800.1 . DRB4 . . . . . . . . . . . . . . 51790 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DRB4 has multifaceted activity in the viral/siRNA pathway in plants' 51790 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 293 MET . 51790 2 2 294 GLU . 51790 2 3 295 THR . 51790 2 4 296 SER . 51790 2 5 297 SER . 51790 2 6 298 CYS . 51790 2 7 299 VAL . 51790 2 8 300 VAL . 51790 2 9 301 ASP . 51790 2 10 302 GLU . 51790 2 11 303 SER . 51790 2 12 304 GLU . 51790 2 13 305 LYS . 51790 2 14 306 LYS . 51790 2 15 307 LYS . 51790 2 16 308 LEU . 51790 2 17 309 ILE . 51790 2 18 310 MET . 51790 2 19 311 GLY . 51790 2 20 312 THR . 51790 2 21 313 GLY . 51790 2 22 314 HIS . 51790 2 23 315 LEU . 51790 2 24 316 SER . 51790 2 25 317 ILE . 51790 2 26 318 PRO . 51790 2 27 319 THR . 51790 2 28 320 GLY . 51790 2 29 321 GLN . 51790 2 30 322 HIS . 51790 2 31 323 VAL . 51790 2 32 324 VAL . 51790 2 33 325 CYS . 51790 2 34 326 ARG . 51790 2 35 327 PRO . 51790 2 36 328 TRP . 51790 2 37 329 ASN . 51790 2 38 330 PRO . 51790 2 39 331 GLU . 51790 2 40 332 ILE . 51790 2 41 333 THR . 51790 2 42 334 LEU . 51790 2 43 335 PRO . 51790 2 44 336 GLN . 51790 2 45 337 ASP . 51790 2 46 338 ALA . 51790 2 47 339 GLU . 51790 2 48 340 MET . 51790 2 49 341 LEU . 51790 2 50 342 PHE . 51790 2 51 343 ARG . 51790 2 52 344 ASP . 51790 2 53 345 ASP . 51790 2 54 346 LYS . 51790 2 55 347 PHE . 51790 2 56 348 ILE . 51790 2 57 349 ALA . 51790 2 58 350 TYR . 51790 2 59 351 ARG . 51790 2 60 352 LEU . 51790 2 61 353 VAL . 51790 2 62 354 LYS . 51790 2 63 355 PRO . 51790 2 64 356 LEU . 51790 2 65 357 GLU . 51790 2 66 358 HIS . 51790 2 67 359 HIS . 51790 2 68 360 HIS . 51790 2 69 361 HIS . 51790 2 70 362 HIS . 51790 2 71 363 HIS . 51790 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51790 2 . GLU 2 2 51790 2 . THR 3 3 51790 2 . SER 4 4 51790 2 . SER 5 5 51790 2 . CYS 6 6 51790 2 . VAL 7 7 51790 2 . VAL 8 8 51790 2 . ASP 9 9 51790 2 . GLU 10 10 51790 2 . SER 11 11 51790 2 . GLU 12 12 51790 2 . LYS 13 13 51790 2 . LYS 14 14 51790 2 . LYS 15 15 51790 2 . LEU 16 16 51790 2 . ILE 17 17 51790 2 . MET 18 18 51790 2 . GLY 19 19 51790 2 . THR 20 20 51790 2 . GLY 21 21 51790 2 . HIS 22 22 51790 2 . LEU 23 23 51790 2 . SER 24 24 51790 2 . ILE 25 25 51790 2 . PRO 26 26 51790 2 . THR 27 27 51790 2 . GLY 28 28 51790 2 . GLN 29 29 51790 2 . HIS 30 30 51790 2 . VAL 31 31 51790 2 . VAL 32 32 51790 2 . CYS 33 33 51790 2 . ARG 34 34 51790 2 . PRO 35 35 51790 2 . TRP 36 36 51790 2 . ASN 37 37 51790 2 . PRO 38 38 51790 2 . GLU 39 39 51790 2 . ILE 40 40 51790 2 . THR 41 41 51790 2 . LEU 42 42 51790 2 . PRO 43 43 51790 2 . GLN 44 44 51790 2 . ASP 45 45 51790 2 . ALA 46 46 51790 2 . GLU 47 47 51790 2 . MET 48 48 51790 2 . LEU 49 49 51790 2 . PHE 50 50 51790 2 . ARG 51 51 51790 2 . ASP 52 52 51790 2 . ASP 53 53 51790 2 . LYS 54 54 51790 2 . PHE 55 55 51790 2 . ILE 56 56 51790 2 . ALA 57 57 51790 2 . TYR 58 58 51790 2 . ARG 59 59 51790 2 . LEU 60 60 51790 2 . VAL 61 61 51790 2 . LYS 62 62 51790 2 . PRO 63 63 51790 2 . LEU 64 64 51790 2 . GLU 65 65 51790 2 . HIS 66 66 51790 2 . HIS 67 67 51790 2 . HIS 68 68 51790 2 . HIS 69 69 51790 2 . HIS 70 70 51790 2 . HIS 71 71 51790 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51790 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana col0 WT . . . . . . . . . AT4G00420 . 51790 1 2 2 $entity_2 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana col0 WT . . . . . . . . . AT3G62800.1 . 51790 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51790 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)-RIPL 'Strain B' . plasmid . . pETtrx-1b . . . 51790 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' 'Strain B' . plasmid . . pET30a . . . 51790 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51790 _Sample.ID 1 _Sample.Name Sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-[13C, 15N], 2H (~ 90%) DRB7.2M : 2H (~ 90%) DRB4D3' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DRB7.2M '[U-13C; U-15N], 2H (~ 90%)' . . 1 $entity_1 . . 400 . . uM . . . . 51790 1 2 DRB4D3 '2H (~ 90%)' . . 2 $entity_2 . . 400 . . uM . . . . 51790 1 3 Kphosh 'natural abundance' . . . . . . 50 . . mM . . . . 51790 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51790 1 5 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 51790 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51790 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51790 _Sample.ID 2 _Sample.Name Sample2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-[13C, 15N], 2H (~ 50%) DRB7.2M : 2H (~ 90%) DRB4D3' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DRB7.2M '[U-13C; U-15N], 2H (~ 50%)' . . 1 $entity_1 . . 400 . . uM . . . . 51790 2 2 DRB4D3 '2H (~ 90%)' . . 2 $entity_2 . . 400 . . uM . . . . 51790 2 3 Kphosh 'natural abundance' . . . . . . 50 . . mM . . . . 51790 2 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51790 2 5 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 51790 2 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51790 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51790 _Sample.ID 3 _Sample.Name Sample3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-[15N], 2H (~ 90%) DRB7.2M : 2H (~ 90%) DRB4D3' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DRB7.2M '[U-15N], 2H (~ 50%)' . . 1 $entity_1 . . 400 . . uM . . . . 51790 3 2 DRB4D3 '2H (~ 90%)' . . 2 $entity_2 . . 400 . . uM . . . . 51790 3 3 Kphosh 'natural abundance' . . . . . . 50 . . mM . . . . 51790 3 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51790 3 5 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 51790 3 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51790 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51790 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 51790 1 pH 7.0 . pH 51790 1 pressure 1 . atm 51790 1 temperature 298 . K 51790 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51790 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51790 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51790 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'collection and processing' . 51790 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51790 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data visualization' . 51790 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51790 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz AV neo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51790 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 4 '3D HN(COCA)CB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 5 '3D HN(CA)CB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 7 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 8 '3D H(CCO)NH TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 9 '3D (H)C(CO)NH-TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51790 1 10 '2D 1H-15N IPAP HSQC' no no no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Aligned with C12E5/n- hexanol (r = 0.96)' 51790 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51790 _Computing_platform.ID 1 _Computing_platform.Name 'Mac Pro workstation' _Computing_platform.Reference_ID . _Computing_platform.Site in-house _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51790 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DRB7.2M _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51790 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51790 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51790 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51790 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DRB7.2M _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The amide N and amid H chemical shifts are reported for the 1H-15N TROSY-HSQC with apparent ~ 45 Hz shift in both N and H dimension. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51790 1 2 '3D HNCO' . . . 51790 1 3 '3D HN(CA)CO' . . . 51790 1 4 '3D HN(COCA)CB' . . . 51790 1 5 '3D HN(CA)CB' . . . 51790 1 6 '3D HN(CO)CA' . . . 51790 1 7 '3D HNCA' . . . 51790 1 8 '3D H(CCO)NH TOCSY' . . . 51790 1 9 '3D (H)C(CO)NH-TOCSY' . . . 51790 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51790 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 THR H H 1 8.368 0.020 . 1 . . . . . 71 THR H . 51790 1 2 . 1 . 1 4 4 THR C C 13 174.654 0.3 . 1 . . . . . 71 THR C . 51790 1 3 . 1 . 1 4 4 THR CA C 13 61.554 0.3 . 1 . . . . . 71 THR CA . 51790 1 4 . 1 . 1 4 4 THR CB C 13 68.938 0.3 . 1 . . . . . 71 THR CB . 51790 1 5 . 1 . 1 4 4 THR N N 15 116.863 0.3 . 1 . . . . . 71 THR N . 51790 1 6 . 1 . 1 5 5 THR H H 1 7.680 0.020 . 1 . . . . . 72 THR H . 51790 1 7 . 1 . 1 5 5 THR C C 13 172.257 0.3 . 1 . . . . . 72 THR C . 51790 1 8 . 1 . 1 5 5 THR CA C 13 57.667 0.3 . 1 . . . . . 72 THR CA . 51790 1 9 . 1 . 1 5 5 THR CB C 13 69.844 0.3 . 1 . . . . . 72 THR CB . 51790 1 10 . 1 . 1 5 5 THR N N 15 119.479 0.3 . 1 . . . . . 72 THR N . 51790 1 11 . 1 . 1 7 7 PRO HA H 1 4.409 0.020 . 1 . . . . . 74 PRO HA . 51790 1 12 . 1 . 1 7 7 PRO HB2 H 1 2.186 0.020 . 2 . . . . . 74 PRO HB2 . 51790 1 13 . 1 . 1 7 7 PRO HB3 H 1 2.204 0.020 . 2 . . . . . 74 PRO HB3 . 51790 1 14 . 1 . 1 7 7 PRO HG2 H 1 1.902 0.020 . 2 . . . . . 74 PRO HG2 . 51790 1 15 . 1 . 1 7 7 PRO HG3 H 1 1.887 0.020 . 2 . . . . . 74 PRO HG3 . 51790 1 16 . 1 . 1 7 7 PRO HD2 H 1 3.656 0.020 . 2 . . . . . 74 PRO HD2 . 51790 1 17 . 1 . 1 7 7 PRO HD3 H 1 3.668 0.020 . 2 . . . . . 74 PRO HD3 . 51790 1 18 . 1 . 1 7 7 PRO C C 13 176.933 0.3 . 1 . . . . . 74 PRO C . 51790 1 19 . 1 . 1 7 7 PRO CA C 13 62.446 0.3 . 1 . . . . . 74 PRO CA . 51790 1 20 . 1 . 1 7 7 PRO CB C 13 31.062 0.3 . 1 . . . . . 74 PRO CB . 51790 1 21 . 1 . 1 7 7 PRO CG C 13 26.488 0.3 . 1 . . . . . 74 PRO CG . 51790 1 22 . 1 . 1 7 7 PRO CD C 13 49.847 0.3 . 1 . . . . . 74 PRO CD . 51790 1 23 . 1 . 1 8 8 THR H H 1 8.180 0.020 . 1 . . . . . 75 THR H . 51790 1 24 . 1 . 1 8 8 THR HA H 1 4.344 0.020 . 1 . . . . . 75 THR HA . 51790 1 25 . 1 . 1 8 8 THR HB H 1 4.064 0.020 . 1 . . . . . 75 THR HB . 51790 1 26 . 1 . 1 8 8 THR HG21 H 1 1.125 0.020 . 1 . . . . . 75 THR HG2 . 51790 1 27 . 1 . 1 8 8 THR HG22 H 1 1.125 0.020 . 1 . . . . . 75 THR HG2 . 51790 1 28 . 1 . 1 8 8 THR HG23 H 1 1.125 0.020 . 1 . . . . . 75 THR HG2 . 51790 1 29 . 1 . 1 8 8 THR C C 13 174.728 0.3 . 1 . . . . . 75 THR C . 51790 1 30 . 1 . 1 8 8 THR CA C 13 60.994 0.3 . 1 . . . . . 75 THR CA . 51790 1 31 . 1 . 1 8 8 THR CB C 13 69.162 0.3 . 1 . . . . . 75 THR CB . 51790 1 32 . 1 . 1 8 8 THR CG2 C 13 20.674 0.3 . 1 . . . . . 75 THR CG2 . 51790 1 33 . 1 . 1 8 8 THR N N 15 116.081 0.3 . 1 . . . . . 75 THR N . 51790 1 34 . 1 . 1 9 9 THR H H 1 8.071 0.020 . 1 . . . . . 76 THR H . 51790 1 35 . 1 . 1 9 9 THR HA H 1 4.300 0.020 . 1 . . . . . 76 THR HA . 51790 1 36 . 1 . 1 9 9 THR HG21 H 1 1.102 0.020 . 1 . . . . . 76 THR HG2 . 51790 1 37 . 1 . 1 9 9 THR HG22 H 1 1.102 0.020 . 1 . . . . . 76 THR HG2 . 51790 1 38 . 1 . 1 9 9 THR HG23 H 1 1.102 0.020 . 1 . . . . . 76 THR HG2 . 51790 1 39 . 1 . 1 9 9 THR C C 13 174.667 0.3 . 1 . . . . . 76 THR C . 51790 1 40 . 1 . 1 9 9 THR CA C 13 61.175 0.3 . 1 . . . . . 76 THR CA . 51790 1 41 . 1 . 1 9 9 THR CB C 13 69.155 0.3 . 1 . . . . . 76 THR CB . 51790 1 42 . 1 . 1 9 9 THR CG2 C 13 20.736 0.3 . 1 . . . . . 76 THR CG2 . 51790 1 43 . 1 . 1 9 9 THR N N 15 117.577 0.3 . 1 . . . . . 76 THR N . 51790 1 44 . 1 . 1 10 10 GLU H H 1 8.352 0.020 . 1 . . . . . 77 GLU H . 51790 1 45 . 1 . 1 10 10 GLU HA H 1 4.153 0.020 . 1 . . . . . 77 GLU HA . 51790 1 46 . 1 . 1 10 10 GLU HB2 H 1 1.842 0.020 . 2 . . . . . 77 GLU HB2 . 51790 1 47 . 1 . 1 10 10 GLU HB3 H 1 1.856 0.020 . 2 . . . . . 77 GLU HB3 . 51790 1 48 . 1 . 1 10 10 GLU HG2 H 1 2.138 0.020 . 2 . . . . . 77 GLU HG2 . 51790 1 49 . 1 . 1 10 10 GLU HG3 H 1 2.151 0.020 . 2 . . . . . 77 GLU HG3 . 51790 1 50 . 1 . 1 10 10 GLU C C 13 176.645 0.3 . 1 . . . . . 77 GLU C . 51790 1 51 . 1 . 1 10 10 GLU CA C 13 56.387 0.3 . 1 . . . . . 77 GLU CA . 51790 1 52 . 1 . 1 10 10 GLU CB C 13 28.985 0.3 . 1 . . . . . 77 GLU CB . 51790 1 53 . 1 . 1 10 10 GLU CG C 13 35.433 0.3 . 1 . . . . . 77 GLU CG . 51790 1 54 . 1 . 1 10 10 GLU N N 15 124.624 0.3 . 1 . . . . . 77 GLU N . 51790 1 55 . 1 . 1 11 11 GLU H H 1 8.251 0.020 . 1 . . . . . 78 GLU H . 51790 1 56 . 1 . 1 11 11 GLU HA H 1 4.617 0.020 . 1 . . . . . 78 GLU HA . 51790 1 57 . 1 . 1 11 11 GLU HB2 H 1 1.843 0.020 . 1 . . . . . 78 GLU HB2 . 51790 1 58 . 1 . 1 11 11 GLU HG2 H 1 2.151 0.020 . 1 . . . . . 78 GLU HG2 . 51790 1 59 . 1 . 1 11 11 GLU C C 13 176.902 0.3 . 1 . . . . . 78 GLU C . 51790 1 60 . 1 . 1 11 11 GLU CA C 13 56.488 0.3 . 1 . . . . . 78 GLU CA . 51790 1 61 . 1 . 1 11 11 GLU CB C 13 29.227 0.3 . 1 . . . . . 78 GLU CB . 51790 1 62 . 1 . 1 11 11 GLU CG C 13 35.449 0.3 . 1 . . . . . 78 GLU CG . 51790 1 63 . 1 . 1 11 11 GLU N N 15 123.086 0.3 . 1 . . . . . 78 GLU N . 51790 1 64 . 1 . 1 12 12 GLU H H 1 8.231 0.020 . 1 . . . . . 79 GLU H . 51790 1 65 . 1 . 1 12 12 GLU HA H 1 4.159 0.020 . 1 . . . . . 79 GLU HA . 51790 1 66 . 1 . 1 12 12 GLU HB2 H 1 1.935 0.020 . 2 . . . . . 79 GLU HB2 . 51790 1 67 . 1 . 1 12 12 GLU HB3 H 1 1.901 0.020 . 2 . . . . . 79 GLU HB3 . 51790 1 68 . 1 . 1 12 12 GLU HG2 H 1 2.153 0.020 . 2 . . . . . 79 GLU HG2 . 51790 1 69 . 1 . 1 12 12 GLU HG3 H 1 2.174 0.020 . 2 . . . . . 79 GLU HG3 . 51790 1 70 . 1 . 1 12 12 GLU C C 13 177.023 0.3 . 1 . . . . . 79 GLU C . 51790 1 71 . 1 . 1 12 12 GLU CA C 13 56.406 0.3 . 1 . . . . . 79 GLU CA . 51790 1 72 . 1 . 1 12 12 GLU CB C 13 28.965 0.3 . 1 . . . . . 79 GLU CB . 51790 1 73 . 1 . 1 12 12 GLU CG C 13 35.449 0.3 . 1 . . . . . 79 GLU CG . 51790 1 74 . 1 . 1 12 12 GLU N N 15 123.172 0.3 . 1 . . . . . 79 GLU N . 51790 1 75 . 1 . 1 13 13 THR H H 1 7.999 0.020 . 1 . . . . . 80 THR H . 51790 1 76 . 1 . 1 13 13 THR HA H 1 4.612 0.020 . 1 . . . . . 80 THR HA . 51790 1 77 . 1 . 1 13 13 THR HB H 1 4.165 0.020 . 1 . . . . . 80 THR HB . 51790 1 78 . 1 . 1 13 13 THR HG21 H 1 1.098 0.020 . 1 . . . . . 80 THR HG2 . 51790 1 79 . 1 . 1 13 13 THR HG22 H 1 1.098 0.020 . 1 . . . . . 80 THR HG2 . 51790 1 80 . 1 . 1 13 13 THR HG23 H 1 1.098 0.020 . 1 . . . . . 80 THR HG2 . 51790 1 81 . 1 . 1 13 13 THR C C 13 174.824 0.3 . 1 . . . . . 80 THR C . 51790 1 82 . 1 . 1 13 13 THR CA C 13 62.141 0.3 . 1 . . . . . 80 THR CA . 51790 1 83 . 1 . 1 13 13 THR CB C 13 68.832 0.3 . 1 . . . . . 80 THR CB . 51790 1 84 . 1 . 1 13 13 THR CG2 C 13 20.753 0.3 . 1 . . . . . 80 THR CG2 . 51790 1 85 . 1 . 1 13 13 THR N N 15 116.521 0.3 . 1 . . . . . 80 THR N . 51790 1 86 . 1 . 1 14 14 GLN H H 1 8.157 0.020 . 1 . . . . . 81 GLN H . 51790 1 87 . 1 . 1 14 14 GLN HA H 1 4.237 0.020 . 1 . . . . . 81 GLN HA . 51790 1 88 . 1 . 1 14 14 GLN HB2 H 1 1.875 0.020 . 1 . . . . . 81 GLN HB2 . 51790 1 89 . 1 . 1 14 14 GLN HG2 H 1 2.262 0.020 . 2 . . . . . 81 GLN HG2 . 51790 1 90 . 1 . 1 14 14 GLN HG3 H 1 2.273 0.020 . 2 . . . . . 81 GLN HG3 . 51790 1 91 . 1 . 1 14 14 GLN C C 13 176.189 0.3 . 1 . . . . . 81 GLN C . 51790 1 92 . 1 . 1 14 14 GLN CA C 13 55.501 0.3 . 1 . . . . . 81 GLN CA . 51790 1 93 . 1 . 1 14 14 GLN CB C 13 27.988 0.3 . 1 . . . . . 81 GLN CB . 51790 1 94 . 1 . 1 14 14 GLN CG C 13 32.921 0.3 . 1 . . . . . 81 GLN CG . 51790 1 95 . 1 . 1 14 14 GLN N N 15 123.495 0.3 . 1 . . . . . 81 GLN N . 51790 1 96 . 1 . 1 15 15 ARG H H 1 8.102 0.020 . 1 . . . . . 82 ARG H . 51790 1 97 . 1 . 1 15 15 ARG HA H 1 4.614 0.020 . 1 . . . . . 82 ARG HA . 51790 1 98 . 1 . 1 15 15 ARG HB2 H 1 1.595 0.020 . 2 . . . . . 82 ARG HB2 . 51790 1 99 . 1 . 1 15 15 ARG HB3 H 1 1.630 0.020 . 2 . . . . . 82 ARG HB3 . 51790 1 100 . 1 . 1 15 15 ARG HD2 H 1 3.100 0.020 . 2 . . . . . 82 ARG HD2 . 51790 1 101 . 1 . 1 15 15 ARG HD3 H 1 3.092 0.020 . 2 . . . . . 82 ARG HD3 . 51790 1 102 . 1 . 1 15 15 ARG C C 13 176.170 0.3 . 1 . . . . . 82 ARG C . 51790 1 103 . 1 . 1 15 15 ARG CA C 13 55.865 0.3 . 1 . . . . . 82 ARG CA . 51790 1 104 . 1 . 1 15 15 ARG CB C 13 29.522 0.3 . 1 . . . . . 82 ARG CB . 51790 1 105 . 1 . 1 15 15 ARG CG C 13 26.215 0.3 . 1 . . . . . 82 ARG CG . 51790 1 106 . 1 . 1 15 15 ARG CD C 13 42.458 0.3 . 1 . . . . . 82 ARG CD . 51790 1 107 . 1 . 1 15 15 ARG N N 15 123.383 0.3 . 1 . . . . . 82 ARG N . 51790 1 108 . 1 . 1 16 16 SER H H 1 8.108 0.020 . 1 . . . . . 83 SER H . 51790 1 109 . 1 . 1 16 16 SER C C 13 174.074 0.3 . 1 . . . . . 83 SER C . 51790 1 110 . 1 . 1 16 16 SER CA C 13 57.488 0.3 . 1 . . . . . 83 SER CA . 51790 1 111 . 1 . 1 16 16 SER CB C 13 63.313 0.3 . 1 . . . . . 83 SER CB . 51790 1 112 . 1 . 1 16 16 SER N N 15 117.629 0.3 . 1 . . . . . 83 SER N . 51790 1 113 . 1 . 1 17 17 SER H H 1 8.227 0.020 . 1 . . . . . 84 SER H . 51790 1 114 . 1 . 1 17 17 SER HA H 1 4.365 0.020 . 1 . . . . . 84 SER HA . 51790 1 115 . 1 . 1 17 17 SER C C 13 174.651 0.3 . 1 . . . . . 84 SER C . 51790 1 116 . 1 . 1 17 17 SER CA C 13 57.251 0.3 . 1 . . . . . 84 SER CA . 51790 1 117 . 1 . 1 17 17 SER CB C 13 63.616 0.3 . 1 . . . . . 84 SER CB . 51790 1 118 . 1 . 1 17 17 SER N N 15 120.665 0.3 . 1 . . . . . 84 SER N . 51790 1 119 . 1 . 1 18 18 ALA H H 1 10.925 0.020 . 1 . . . . . 85 ALA H . 51790 1 120 . 1 . 1 18 18 ALA HA H 1 4.315 0.020 . 1 . . . . . 85 ALA HA . 51790 1 121 . 1 . 1 18 18 ALA HB1 H 1 1.259 0.020 . 1 . . . . . 85 ALA HB . 51790 1 122 . 1 . 1 18 18 ALA HB2 H 1 1.259 0.020 . 1 . . . . . 85 ALA HB . 51790 1 123 . 1 . 1 18 18 ALA HB3 H 1 1.259 0.020 . 1 . . . . . 85 ALA HB . 51790 1 124 . 1 . 1 18 18 ALA C C 13 180.024 0.3 . 1 . . . . . 85 ALA C . 51790 1 125 . 1 . 1 18 18 ALA CA C 13 54.601 0.3 . 1 . . . . . 85 ALA CA . 51790 1 126 . 1 . 1 18 18 ALA CB C 13 17.077 0.3 . 1 . . . . . 85 ALA CB . 51790 1 127 . 1 . 1 18 18 ALA N N 15 131.959 0.3 . 1 . . . . . 85 ALA N . 51790 1 128 . 1 . 1 19 19 LYS H H 1 8.687 0.020 . 1 . . . . . 86 LYS H . 51790 1 129 . 1 . 1 19 19 LYS HA H 1 3.755 0.020 . 1 . . . . . 86 LYS HA . 51790 1 130 . 1 . 1 19 19 LYS HB2 H 1 1.716 0.020 . 1 . . . . . 86 LYS HB2 . 51790 1 131 . 1 . 1 19 19 LYS HG2 H 1 1.243 0.020 . 1 . . . . . 86 LYS HG2 . 51790 1 132 . 1 . 1 19 19 LYS HD2 H 1 1.608 0.020 . 1 . . . . . 86 LYS HD2 . 51790 1 133 . 1 . 1 19 19 LYS C C 13 180.471 0.3 . 1 . . . . . 86 LYS C . 51790 1 134 . 1 . 1 19 19 LYS CA C 13 59.612 0.3 . 1 . . . . . 86 LYS CA . 51790 1 135 . 1 . 1 19 19 LYS CB C 13 31.923 0.3 . 1 . . . . . 86 LYS CB . 51790 1 136 . 1 . 1 19 19 LYS CG C 13 23.476 0.3 . 1 . . . . . 86 LYS CG . 51790 1 137 . 1 . 1 19 19 LYS N N 15 120.116 0.3 . 1 . . . . . 86 LYS N . 51790 1 138 . 1 . 1 20 20 SER H H 1 8.182 0.020 . 1 . . . . . 87 SER H . 51790 1 139 . 1 . 1 20 20 SER HA H 1 3.832 0.020 . 1 . . . . . 87 SER HA . 51790 1 140 . 1 . 1 20 20 SER CA C 13 61.204 0.3 . 1 . . . . . 87 SER CA . 51790 1 141 . 1 . 1 20 20 SER CB C 13 62.020 0.3 . 1 . . . . . 87 SER CB . 51790 1 142 . 1 . 1 20 20 SER N N 15 119.079 0.3 . 1 . . . . . 87 SER N . 51790 1 143 . 1 . 1 21 21 GLN H H 1 8.344 0.020 . 1 . . . . . 88 GLN H . 51790 1 144 . 1 . 1 21 21 GLN HA H 1 4.626 0.020 . 1 . . . . . 88 GLN HA . 51790 1 145 . 1 . 1 21 21 GLN C C 13 179.192 0.3 . 1 . . . . . 88 GLN C . 51790 1 146 . 1 . 1 21 21 GLN CA C 13 58.705 0.3 . 1 . . . . . 88 GLN CA . 51790 1 147 . 1 . 1 21 21 GLN N N 15 124.261 0.3 . 1 . . . . . 88 GLN N . 51790 1 148 . 1 . 1 22 22 LEU H H 1 8.802 0.020 . 1 . . . . . 89 LEU H . 51790 1 149 . 1 . 1 22 22 LEU HA H 1 4.013 0.020 . 1 . . . . . 89 LEU HA . 51790 1 150 . 1 . 1 22 22 LEU HB2 H 1 1.945 0.020 . 1 . . . . . 89 LEU HB2 . 51790 1 151 . 1 . 1 22 22 LEU HD11 H 1 0.738 0.020 . 2 . . . . . 89 LEU HD1 . 51790 1 152 . 1 . 1 22 22 LEU HD12 H 1 0.738 0.020 . 2 . . . . . 89 LEU HD1 . 51790 1 153 . 1 . 1 22 22 LEU HD13 H 1 0.738 0.020 . 2 . . . . . 89 LEU HD1 . 51790 1 154 . 1 . 1 22 22 LEU HD21 H 1 0.751 0.020 . 2 . . . . . 89 LEU HD2 . 51790 1 155 . 1 . 1 22 22 LEU HD22 H 1 0.751 0.020 . 2 . . . . . 89 LEU HD2 . 51790 1 156 . 1 . 1 22 22 LEU HD23 H 1 0.751 0.020 . 2 . . . . . 89 LEU HD2 . 51790 1 157 . 1 . 1 22 22 LEU C C 13 177.874 0.3 . 1 . . . . . 89 LEU C . 51790 1 158 . 1 . 1 22 22 LEU CA C 13 57.184 0.3 . 1 . . . . . 89 LEU CA . 51790 1 159 . 1 . 1 22 22 LEU CB C 13 40.226 0.3 . 1 . . . . . 89 LEU CB . 51790 1 160 . 1 . 1 22 22 LEU N N 15 122.749 0.3 . 1 . . . . . 89 LEU N . 51790 1 161 . 1 . 1 23 23 TYR H H 1 7.977 0.020 . 1 . . . . . 90 TYR H . 51790 1 162 . 1 . 1 23 23 TYR HA H 1 4.612 0.020 . 1 . . . . . 90 TYR HA . 51790 1 163 . 1 . 1 23 23 TYR HB2 H 1 3.216 0.020 . 2 . . . . . 90 TYR HB2 . 51790 1 164 . 1 . 1 23 23 TYR HB3 H 1 3.228 0.020 . 2 . . . . . 90 TYR HB3 . 51790 1 165 . 1 . 1 23 23 TYR HD1 H 1 7.144 0.020 . 1 . . . . . 90 TYR HD1 . 51790 1 166 . 1 . 1 23 23 TYR HD2 H 1 7.144 0.020 . 1 . . . . . 90 TYR HD2 . 51790 1 167 . 1 . 1 23 23 TYR C C 13 178.747 0.3 . 1 . . . . . 90 TYR C . 51790 1 168 . 1 . 1 23 23 TYR CA C 13 61.885 0.3 . 1 . . . . . 90 TYR CA . 51790 1 169 . 1 . 1 23 23 TYR CB C 13 36.950 0.3 . 1 . . . . . 90 TYR CB . 51790 1 170 . 1 . 1 23 23 TYR N N 15 121.809 0.3 . 1 . . . . . 90 TYR N . 51790 1 171 . 1 . 1 24 24 ASN H H 1 8.273 0.020 . 1 . . . . . 91 ASN H . 51790 1 172 . 1 . 1 24 24 ASN HA H 1 4.303 0.020 . 1 . . . . . 91 ASN HA . 51790 1 173 . 1 . 1 24 24 ASN HB2 H 1 2.796 0.020 . 2 . . . . . 91 ASN HB2 . 51790 1 174 . 1 . 1 24 24 ASN HB3 H 1 2.781 0.020 . 2 . . . . . 91 ASN HB3 . 51790 1 175 . 1 . 1 24 24 ASN C C 13 176.095 0.3 . 1 . . . . . 91 ASN C . 51790 1 176 . 1 . 1 24 24 ASN CA C 13 55.956 0.3 . 1 . . . . . 91 ASN CA . 51790 1 177 . 1 . 1 24 24 ASN CB C 13 37.449 0.3 . 1 . . . . . 91 ASN CB . 51790 1 178 . 1 . 1 24 24 ASN N N 15 120.157 0.3 . 1 . . . . . 91 ASN N . 51790 1 179 . 1 . 1 25 25 LEU H H 1 7.961 0.020 . 1 . . . . . 92 LEU H . 51790 1 180 . 1 . 1 25 25 LEU HA H 1 4.357 0.020 . 1 . . . . . 92 LEU HA . 51790 1 181 . 1 . 1 25 25 LEU HB2 H 1 1.664 0.020 . 2 . . . . . 92 LEU HB2 . 51790 1 182 . 1 . 1 25 25 LEU HB3 H 1 1.644 0.020 . 2 . . . . . 92 LEU HB3 . 51790 1 183 . 1 . 1 25 25 LEU HD11 H 1 0.597 0.020 . 2 . . . . . 92 LEU HD1 . 51790 1 184 . 1 . 1 25 25 LEU HD12 H 1 0.597 0.020 . 2 . . . . . 92 LEU HD1 . 51790 1 185 . 1 . 1 25 25 LEU HD13 H 1 0.597 0.020 . 2 . . . . . 92 LEU HD1 . 51790 1 186 . 1 . 1 25 25 LEU HD21 H 1 0.613 0.020 . 2 . . . . . 92 LEU HD2 . 51790 1 187 . 1 . 1 25 25 LEU HD22 H 1 0.613 0.020 . 2 . . . . . 92 LEU HD2 . 51790 1 188 . 1 . 1 25 25 LEU HD23 H 1 0.613 0.020 . 2 . . . . . 92 LEU HD2 . 51790 1 189 . 1 . 1 25 25 LEU C C 13 178.311 0.3 . 1 . . . . . 92 LEU C . 51790 1 190 . 1 . 1 25 25 LEU CA C 13 58.114 0.3 . 1 . . . . . 92 LEU CA . 51790 1 191 . 1 . 1 25 25 LEU CB C 13 40.856 0.3 . 1 . . . . . 92 LEU CB . 51790 1 192 . 1 . 1 25 25 LEU CG C 13 26.554 0.3 . 1 . . . . . 92 LEU CG . 51790 1 193 . 1 . 1 25 25 LEU CD1 C 13 25.233 0.3 . 1 . . . . . 92 LEU CD1 . 51790 1 194 . 1 . 1 25 25 LEU CD2 C 13 25.194 0.3 . 1 . . . . . 92 LEU CD2 . 51790 1 195 . 1 . 1 25 25 LEU N N 15 123.521 0.3 . 1 . . . . . 92 LEU N . 51790 1 196 . 1 . 1 26 26 CYS H H 1 7.767 0.020 . 1 . . . . . 93 CYS H . 51790 1 197 . 1 . 1 26 26 CYS HA H 1 4.331 0.020 . 1 . . . . . 93 CYS HA . 51790 1 198 . 1 . 1 26 26 CYS HB2 H 1 2.919 0.020 . 2 . . . . . 93 CYS HB2 . 51790 1 199 . 1 . 1 26 26 CYS HB3 H 1 2.677 0.020 . 2 . . . . . 93 CYS HB3 . 51790 1 200 . 1 . 1 26 26 CYS C C 13 175.884 0.3 . 1 . . . . . 93 CYS C . 51790 1 201 . 1 . 1 26 26 CYS CA C 13 63.285 0.3 . 1 . . . . . 93 CYS CA . 51790 1 202 . 1 . 1 26 26 CYS CB C 13 26.030 0.3 . 1 . . . . . 93 CYS CB . 51790 1 203 . 1 . 1 26 26 CYS N N 15 116.798 0.3 . 1 . . . . . 93 CYS N . 51790 1 204 . 1 . 1 27 27 SER H H 1 7.618 0.020 . 1 . . . . . 94 SER H . 51790 1 205 . 1 . 1 27 27 SER HA H 1 4.192 0.020 . 1 . . . . . 94 SER HA . 51790 1 206 . 1 . 1 27 27 SER HB2 H 1 3.652 0.020 . 1 . . . . . 94 SER HB2 . 51790 1 207 . 1 . 1 27 27 SER CA C 13 60.699 0.3 . 1 . . . . . 94 SER CA . 51790 1 208 . 1 . 1 27 27 SER CB C 13 62.132 0.3 . 1 . . . . . 94 SER CB . 51790 1 209 . 1 . 1 27 27 SER N N 15 114.822 0.3 . 1 . . . . . 94 SER N . 51790 1 210 . 1 . 1 28 28 VAL H H 1 8.094 0.020 . 1 . . . . . 95 VAL H . 51790 1 211 . 1 . 1 28 28 VAL HA H 1 3.532 0.020 . 1 . . . . . 95 VAL HA . 51790 1 212 . 1 . 1 28 28 VAL HB H 1 2.058 0.020 . 1 . . . . . 95 VAL HB . 51790 1 213 . 1 . 1 28 28 VAL HG11 H 1 0.826 0.020 . 2 . . . . . 95 VAL HG1 . 51790 1 214 . 1 . 1 28 28 VAL HG12 H 1 0.826 0.020 . 2 . . . . . 95 VAL HG1 . 51790 1 215 . 1 . 1 28 28 VAL HG13 H 1 0.826 0.020 . 2 . . . . . 95 VAL HG1 . 51790 1 216 . 1 . 1 28 28 VAL HG21 H 1 0.811 0.020 . 2 . . . . . 95 VAL HG2 . 51790 1 217 . 1 . 1 28 28 VAL HG22 H 1 0.811 0.020 . 2 . . . . . 95 VAL HG2 . 51790 1 218 . 1 . 1 28 28 VAL HG23 H 1 0.811 0.020 . 2 . . . . . 95 VAL HG2 . 51790 1 219 . 1 . 1 28 28 VAL C C 13 177.379 0.3 . 1 . . . . . 95 VAL C . 51790 1 220 . 1 . 1 28 28 VAL CA C 13 64.506 0.3 . 1 . . . . . 95 VAL CA . 51790 1 221 . 1 . 1 28 28 VAL CB C 13 30.371 0.3 . 1 . . . . . 95 VAL CB . 51790 1 222 . 1 . 1 28 28 VAL CG1 C 13 20.142 0.3 . 1 . . . . . 95 VAL CG1 . 51790 1 223 . 1 . 1 28 28 VAL CG2 C 13 21.061 0.3 . 1 . . . . . 95 VAL CG2 . 51790 1 224 . 1 . 1 28 28 VAL N N 15 122.493 0.3 . 1 . . . . . 95 VAL N . 51790 1 225 . 1 . 1 29 29 ARG H H 1 6.897 0.020 . 1 . . . . . 96 ARG H . 51790 1 226 . 1 . 1 29 29 ARG HA H 1 3.639 0.020 . 1 . . . . . 96 ARG HA . 51790 1 227 . 1 . 1 29 29 ARG HB2 H 1 1.846 0.020 . 1 . . . . . 96 ARG HB2 . 51790 1 228 . 1 . 1 29 29 ARG C C 13 174.537 0.3 . 1 . . . . . 96 ARG C . 51790 1 229 . 1 . 1 29 29 ARG CA C 13 54.880 0.3 . 1 . . . . . 96 ARG CA . 51790 1 230 . 1 . 1 29 29 ARG CB C 13 26.217 0.3 . 1 . . . . . 96 ARG CB . 51790 1 231 . 1 . 1 29 29 ARG CD C 13 41.131 0.3 . 1 . . . . . 96 ARG CD . 51790 1 232 . 1 . 1 29 29 ARG N N 15 117.695 0.3 . 1 . . . . . 96 ARG N . 51790 1 233 . 1 . 1 30 30 HIS H H 1 7.377 0.020 . 1 . . . . . 97 HIS H . 51790 1 234 . 1 . 1 30 30 HIS HA H 1 4.116 0.020 . 1 . . . . . 97 HIS HA . 51790 1 235 . 1 . 1 30 30 HIS HB2 H 1 3.289 0.020 . 2 . . . . . 97 HIS HB2 . 51790 1 236 . 1 . 1 30 30 HIS HB3 H 1 3.507 0.020 . 2 . . . . . 97 HIS HB3 . 51790 1 237 . 1 . 1 30 30 HIS C C 13 174.876 0.3 . 1 . . . . . 97 HIS C . 51790 1 238 . 1 . 1 30 30 HIS CA C 13 55.909 0.3 . 1 . . . . . 97 HIS CA . 51790 1 239 . 1 . 1 30 30 HIS CB C 13 24.808 0.3 . 1 . . . . . 97 HIS CB . 51790 1 240 . 1 . 1 30 30 HIS N N 15 114.564 0.3 . 1 . . . . . 97 HIS N . 51790 1 241 . 1 . 1 31 31 TRP H H 1 8.443 0.020 . 1 . . . . . 98 TRP H . 51790 1 242 . 1 . 1 31 31 TRP HA H 1 4.618 0.020 . 1 . . . . . 98 TRP HA . 51790 1 243 . 1 . 1 31 31 TRP HB2 H 1 2.999 0.020 . 2 . . . . . 98 TRP HB2 . 51790 1 244 . 1 . 1 31 31 TRP HB3 H 1 2.914 0.020 . 2 . . . . . 98 TRP HB3 . 51790 1 245 . 1 . 1 31 31 TRP HD1 H 1 7.406 0.020 . 1 . . . . . 98 TRP HD1 . 51790 1 246 . 1 . 1 31 31 TRP HZ3 H 1 6.920 0.020 . 1 . . . . . 98 TRP HZ3 . 51790 1 247 . 1 . 1 31 31 TRP C C 13 176.546 0.3 . 1 . . . . . 98 TRP C . 51790 1 248 . 1 . 1 31 31 TRP CA C 13 52.380 0.3 . 1 . . . . . 98 TRP CA . 51790 1 249 . 1 . 1 31 31 TRP CB C 13 30.801 0.3 . 1 . . . . . 98 TRP CB . 51790 1 250 . 1 . 1 31 31 TRP N N 15 121.818 0.3 . 1 . . . . . 98 TRP N . 51790 1 251 . 1 . 1 32 32 LYS H H 1 8.938 0.020 . 1 . . . . . 99 LYS H . 51790 1 252 . 1 . 1 32 32 LYS HA H 1 4.058 0.020 . 1 . . . . . 99 LYS HA . 51790 1 253 . 1 . 1 32 32 LYS HB2 H 1 1.754 0.020 . 2 . . . . . 99 LYS HB2 . 51790 1 254 . 1 . 1 32 32 LYS HB3 H 1 1.744 0.020 . 2 . . . . . 99 LYS HB3 . 51790 1 255 . 1 . 1 32 32 LYS HG2 H 1 1.486 0.020 . 2 . . . . . 99 LYS HG2 . 51790 1 256 . 1 . 1 32 32 LYS HG3 H 1 1.495 0.020 . 2 . . . . . 99 LYS HG3 . 51790 1 257 . 1 . 1 32 32 LYS HD2 H 1 1.625 0.020 . 2 . . . . . 99 LYS HD2 . 51790 1 258 . 1 . 1 32 32 LYS HD3 H 1 1.637 0.020 . 2 . . . . . 99 LYS HD3 . 51790 1 259 . 1 . 1 32 32 LYS HE2 H 1 2.919 0.020 . 2 . . . . . 99 LYS HE2 . 51790 1 260 . 1 . 1 32 32 LYS HE3 H 1 2.904 0.020 . 2 . . . . . 99 LYS HE3 . 51790 1 261 . 1 . 1 32 32 LYS C C 13 175.882 0.3 . 1 . . . . . 99 LYS C . 51790 1 262 . 1 . 1 32 32 LYS CA C 13 56.387 0.3 . 1 . . . . . 99 LYS CA . 51790 1 263 . 1 . 1 32 32 LYS CB C 13 32.179 0.3 . 1 . . . . . 99 LYS CB . 51790 1 264 . 1 . 1 32 32 LYS CG C 13 24.592 0.3 . 1 . . . . . 99 LYS CG . 51790 1 265 . 1 . 1 32 32 LYS CD C 13 28.782 0.3 . 1 . . . . . 99 LYS CD . 51790 1 266 . 1 . 1 32 32 LYS CE C 13 41.338 0.3 . 1 . . . . . 99 LYS CE . 51790 1 267 . 1 . 1 32 32 LYS N N 15 123.654 0.3 . 1 . . . . . 99 LYS N . 51790 1 268 . 1 . 1 33 33 ALA H H 1 8.086 0.020 . 1 . . . . . 100 ALA H . 51790 1 269 . 1 . 1 33 33 ALA HA H 1 3.949 0.020 . 1 . . . . . 100 ALA HA . 51790 1 270 . 1 . 1 33 33 ALA HB1 H 1 1.313 0.020 . 1 . . . . . 100 ALA HB . 51790 1 271 . 1 . 1 33 33 ALA HB2 H 1 1.313 0.020 . 1 . . . . . 100 ALA HB . 51790 1 272 . 1 . 1 33 33 ALA HB3 H 1 1.313 0.020 . 1 . . . . . 100 ALA HB . 51790 1 273 . 1 . 1 33 33 ALA C C 13 176.403 0.3 . 1 . . . . . 100 ALA C . 51790 1 274 . 1 . 1 33 33 ALA CA C 13 50.299 0.3 . 1 . . . . . 100 ALA CA . 51790 1 275 . 1 . 1 33 33 ALA CB C 13 15.692 0.3 . 1 . . . . . 100 ALA CB . 51790 1 276 . 1 . 1 33 33 ALA N N 15 125.754 0.3 . 1 . . . . . 100 ALA N . 51790 1 277 . 1 . 1 34 34 PRO HA H 1 4.004 0.020 . 1 . . . . . 101 PRO HA . 51790 1 278 . 1 . 1 34 34 PRO HB2 H 1 1.880 0.020 . 1 . . . . . 101 PRO HB2 . 51790 1 279 . 1 . 1 34 34 PRO HG2 H 1 1.641 0.020 . 1 . . . . . 101 PRO HG2 . 51790 1 280 . 1 . 1 34 34 PRO C C 13 174.671 0.3 . 1 . . . . . 101 PRO C . 51790 1 281 . 1 . 1 34 34 PRO CA C 13 62.182 0.3 . 1 . . . . . 101 PRO CA . 51790 1 282 . 1 . 1 34 34 PRO CB C 13 31.486 0.3 . 1 . . . . . 101 PRO CB . 51790 1 283 . 1 . 1 34 34 PRO CG C 13 27.302 0.3 . 1 . . . . . 101 PRO CG . 51790 1 284 . 1 . 1 35 35 LEU H H 1 7.468 0.020 . 1 . . . . . 102 LEU H . 51790 1 285 . 1 . 1 35 35 LEU HA H 1 4.145 0.020 . 1 . . . . . 102 LEU HA . 51790 1 286 . 1 . 1 35 35 LEU HB2 H 1 1.259 0.020 . 2 . . . . . 102 LEU HB2 . 51790 1 287 . 1 . 1 35 35 LEU HB3 H 1 1.335 0.020 . 2 . . . . . 102 LEU HB3 . 51790 1 288 . 1 . 1 35 35 LEU HG H 1 1.537 0.020 . 1 . . . . . 102 LEU HG . 51790 1 289 . 1 . 1 35 35 LEU HD11 H 1 0.787 0.020 . 2 . . . . . 102 LEU HD1 . 51790 1 290 . 1 . 1 35 35 LEU HD12 H 1 0.787 0.020 . 2 . . . . . 102 LEU HD1 . 51790 1 291 . 1 . 1 35 35 LEU HD13 H 1 0.787 0.020 . 2 . . . . . 102 LEU HD1 . 51790 1 292 . 1 . 1 35 35 LEU HD21 H 1 0.770 0.020 . 2 . . . . . 102 LEU HD2 . 51790 1 293 . 1 . 1 35 35 LEU HD22 H 1 0.770 0.020 . 2 . . . . . 102 LEU HD2 . 51790 1 294 . 1 . 1 35 35 LEU HD23 H 1 0.770 0.020 . 2 . . . . . 102 LEU HD2 . 51790 1 295 . 1 . 1 35 35 LEU C C 13 175.544 0.3 . 1 . . . . . 102 LEU C . 51790 1 296 . 1 . 1 35 35 LEU CA C 13 53.002 0.3 . 1 . . . . . 102 LEU CA . 51790 1 297 . 1 . 1 35 35 LEU CB C 13 43.410 0.3 . 1 . . . . . 102 LEU CB . 51790 1 298 . 1 . 1 35 35 LEU CG C 13 26.671 0.3 . 1 . . . . . 102 LEU CG . 51790 1 299 . 1 . 1 35 35 LEU CD1 C 13 23.487 0.3 . 1 . . . . . 102 LEU CD1 . 51790 1 300 . 1 . 1 35 35 LEU CD2 C 13 23.569 0.3 . 1 . . . . . 102 LEU CD2 . 51790 1 301 . 1 . 1 35 35 LEU N N 15 125.083 0.3 . 1 . . . . . 102 LEU N . 51790 1 302 . 1 . 1 36 36 TYR H H 1 8.865 0.020 . 1 . . . . . 103 TYR H . 51790 1 303 . 1 . 1 36 36 TYR HA H 1 4.615 0.020 . 1 . . . . . 103 TYR HA . 51790 1 304 . 1 . 1 36 36 TYR HB2 H 1 2.734 0.020 . 2 . . . . . 103 TYR HB2 . 51790 1 305 . 1 . 1 36 36 TYR HB3 H 1 2.708 0.020 . 2 . . . . . 103 TYR HB3 . 51790 1 306 . 1 . 1 36 36 TYR HD1 H 1 6.861 0.020 . 1 . . . . . 103 TYR HD1 . 51790 1 307 . 1 . 1 36 36 TYR HD2 H 1 6.861 0.020 . 1 . . . . . 103 TYR HD2 . 51790 1 308 . 1 . 1 36 36 TYR C C 13 175.385 0.3 . 1 . . . . . 103 TYR C . 51790 1 309 . 1 . 1 36 36 TYR CA C 13 57.640 0.3 . 1 . . . . . 103 TYR CA . 51790 1 310 . 1 . 1 36 36 TYR CB C 13 38.879 0.3 . 1 . . . . . 103 TYR CB . 51790 1 311 . 1 . 1 36 36 TYR N N 15 128.369 0.3 . 1 . . . . . 103 TYR N . 51790 1 312 . 1 . 1 37 37 GLU H H 1 8.864 0.020 . 1 . . . . . 104 GLU H . 51790 1 313 . 1 . 1 37 37 GLU HA H 1 4.259 0.020 . 1 . . . . . 104 GLU HA . 51790 1 314 . 1 . 1 37 37 GLU HB2 H 1 1.814 0.020 . 2 . . . . . 104 GLU HB2 . 51790 1 315 . 1 . 1 37 37 GLU HB3 H 1 1.835 0.020 . 2 . . . . . 104 GLU HB3 . 51790 1 316 . 1 . 1 37 37 GLU HG2 H 1 1.993 0.020 . 2 . . . . . 104 GLU HG2 . 51790 1 317 . 1 . 1 37 37 GLU HG3 H 1 2.019 0.020 . 2 . . . . . 104 GLU HG3 . 51790 1 318 . 1 . 1 37 37 GLU C C 13 172.689 0.3 . 1 . . . . . 104 GLU C . 51790 1 319 . 1 . 1 37 37 GLU CA C 13 53.874 0.3 . 1 . . . . . 104 GLU CA . 51790 1 320 . 1 . 1 37 37 GLU CB C 13 34.254 0.3 . 1 . . . . . 104 GLU CB . 51790 1 321 . 1 . 1 37 37 GLU CG C 13 36.687 0.3 . 1 . . . . . 104 GLU CG . 51790 1 322 . 1 . 1 37 37 GLU N N 15 123.751 0.3 . 1 . . . . . 104 GLU N . 51790 1 323 . 1 . 1 38 38 TYR H H 1 8.415 0.020 . 1 . . . . . 105 TYR H . 51790 1 324 . 1 . 1 38 38 TYR HA H 1 4.253 0.020 . 1 . . . . . 105 TYR HA . 51790 1 325 . 1 . 1 38 38 TYR HB2 H 1 2.650 0.020 . 2 . . . . . 105 TYR HB2 . 51790 1 326 . 1 . 1 38 38 TYR HB3 H 1 2.668 0.020 . 2 . . . . . 105 TYR HB3 . 51790 1 327 . 1 . 1 38 38 TYR HD1 H 1 7.333 0.020 . 1 . . . . . 105 TYR HD1 . 51790 1 328 . 1 . 1 38 38 TYR HD2 H 1 7.333 0.020 . 1 . . . . . 105 TYR HD2 . 51790 1 329 . 1 . 1 38 38 TYR HE1 H 1 6.717 0.020 . 1 . . . . . 105 TYR HE1 . 51790 1 330 . 1 . 1 38 38 TYR HE2 H 1 6.717 0.020 . 1 . . . . . 105 TYR HE2 . 51790 1 331 . 1 . 1 38 38 TYR C C 13 175.414 0.3 . 1 . . . . . 105 TYR C . 51790 1 332 . 1 . 1 38 38 TYR CA C 13 56.008 0.3 . 1 . . . . . 105 TYR CA . 51790 1 333 . 1 . 1 38 38 TYR CB C 13 40.237 0.3 . 1 . . . . . 105 TYR CB . 51790 1 334 . 1 . 1 38 38 TYR N N 15 117.763 0.3 . 1 . . . . . 105 TYR N . 51790 1 335 . 1 . 1 39 39 ILE H H 1 9.322 0.020 . 1 . . . . . 106 ILE H . 51790 1 336 . 1 . 1 39 39 ILE HA H 1 4.230 0.020 . 1 . . . . . 106 ILE HA . 51790 1 337 . 1 . 1 39 39 ILE HB H 1 1.812 0.020 . 1 . . . . . 106 ILE HB . 51790 1 338 . 1 . 1 39 39 ILE HG12 H 1 1.295 0.020 . 2 . . . . . 106 ILE HG12 . 51790 1 339 . 1 . 1 39 39 ILE HG13 H 1 1.205 0.020 . 2 . . . . . 106 ILE HG13 . 51790 1 340 . 1 . 1 39 39 ILE HG21 H 1 0.854 0.020 . 1 . . . . . 106 ILE HG2 . 51790 1 341 . 1 . 1 39 39 ILE HG22 H 1 0.854 0.020 . 1 . . . . . 106 ILE HG2 . 51790 1 342 . 1 . 1 39 39 ILE HG23 H 1 0.854 0.020 . 1 . . . . . 106 ILE HG2 . 51790 1 343 . 1 . 1 39 39 ILE HD11 H 1 0.786 0.020 . 1 . . . . . 106 ILE HD1 . 51790 1 344 . 1 . 1 39 39 ILE HD12 H 1 0.786 0.020 . 1 . . . . . 106 ILE HD1 . 51790 1 345 . 1 . 1 39 39 ILE HD13 H 1 0.786 0.020 . 1 . . . . . 106 ILE HD1 . 51790 1 346 . 1 . 1 39 39 ILE C C 13 175.279 0.3 . 1 . . . . . 106 ILE C . 51790 1 347 . 1 . 1 39 39 ILE CA C 13 60.354 0.3 . 1 . . . . . 106 ILE CA . 51790 1 348 . 1 . 1 39 39 ILE CB C 13 38.361 0.3 . 1 . . . . . 106 ILE CB . 51790 1 349 . 1 . 1 39 39 ILE CG1 C 13 26.969 0.3 . 1 . . . . . 106 ILE CG1 . 51790 1 350 . 1 . 1 39 39 ILE CG2 C 13 17.486 0.3 . 1 . . . . . 106 ILE CG2 . 51790 1 351 . 1 . 1 39 39 ILE CD1 C 13 13.192 0.3 . 1 . . . . . 106 ILE CD1 . 51790 1 352 . 1 . 1 39 39 ILE N N 15 127.723 0.3 . 1 . . . . . 106 ILE N . 51790 1 353 . 1 . 1 40 40 ALA H H 1 8.809 0.020 . 1 . . . . . 107 ALA H . 51790 1 354 . 1 . 1 40 40 ALA HA H 1 4.246 0.020 . 1 . . . . . 107 ALA HA . 51790 1 355 . 1 . 1 40 40 ALA HB1 H 1 1.201 0.020 . 1 . . . . . 107 ALA HB . 51790 1 356 . 1 . 1 40 40 ALA HB2 H 1 1.201 0.020 . 1 . . . . . 107 ALA HB . 51790 1 357 . 1 . 1 40 40 ALA HB3 H 1 1.201 0.020 . 1 . . . . . 107 ALA HB . 51790 1 358 . 1 . 1 40 40 ALA C C 13 176.715 0.3 . 1 . . . . . 107 ALA C . 51790 1 359 . 1 . 1 40 40 ALA CA C 13 50.771 0.3 . 1 . . . . . 107 ALA CA . 51790 1 360 . 1 . 1 40 40 ALA CB C 13 19.878 0.3 . 1 . . . . . 107 ALA CB . 51790 1 361 . 1 . 1 40 40 ALA N N 15 133.307 0.3 . 1 . . . . . 107 ALA N . 51790 1 362 . 1 . 1 41 41 GLU H H 1 8.477 0.020 . 1 . . . . . 108 GLU H . 51790 1 363 . 1 . 1 41 41 GLU HA H 1 4.623 0.020 . 1 . . . . . 108 GLU HA . 51790 1 364 . 1 . 1 41 41 GLU HB2 H 1 1.968 0.020 . 2 . . . . . 108 GLU HB2 . 51790 1 365 . 1 . 1 41 41 GLU HB3 H 1 1.973 0.020 . 2 . . . . . 108 GLU HB3 . 51790 1 366 . 1 . 1 41 41 GLU HG2 H 1 2.089 0.020 . 2 . . . . . 108 GLU HG2 . 51790 1 367 . 1 . 1 41 41 GLU HG3 H 1 2.082 0.020 . 2 . . . . . 108 GLU HG3 . 51790 1 368 . 1 . 1 41 41 GLU C C 13 174.779 0.3 . 1 . . . . . 108 GLU C . 51790 1 369 . 1 . 1 41 41 GLU CA C 13 54.275 0.3 . 1 . . . . . 108 GLU CA . 51790 1 370 . 1 . 1 41 41 GLU CB C 13 32.179 0.3 . 1 . . . . . 108 GLU CB . 51790 1 371 . 1 . 1 41 41 GLU CG C 13 35.289 0.3 . 1 . . . . . 108 GLU CG . 51790 1 372 . 1 . 1 41 41 GLU N N 15 123.902 0.3 . 1 . . . . . 108 GLU N . 51790 1 373 . 1 . 1 42 42 GLY H H 1 8.196 0.020 . 1 . . . . . 109 GLY H . 51790 1 374 . 1 . 1 42 42 GLY HA2 H 1 4.453 0.020 . 1 . . . . . 109 GLY HA2 . 51790 1 375 . 1 . 1 42 42 GLY HA3 H 1 4.453 0.020 . 1 . . . . . 109 GLY HA3 . 51790 1 376 . 1 . 1 42 42 GLY C C 13 171.526 0.3 . 1 . . . . . 109 GLY C . 51790 1 377 . 1 . 1 42 42 GLY CA C 13 43.279 0.3 . 1 . . . . . 109 GLY CA . 51790 1 378 . 1 . 1 42 42 GLY N N 15 110.251 0.3 . 1 . . . . . 109 GLY N . 51790 1 379 . 1 . 1 43 43 PRO HA H 1 4.309 0.020 . 1 . . . . . 110 PRO HA . 51790 1 380 . 1 . 1 43 43 PRO HB2 H 1 2.198 0.020 . 2 . . . . . 110 PRO HB2 . 51790 1 381 . 1 . 1 43 43 PRO HB3 H 1 2.167 0.020 . 2 . . . . . 110 PRO HB3 . 51790 1 382 . 1 . 1 43 43 PRO HG2 H 1 1.861 0.020 . 2 . . . . . 110 PRO HG2 . 51790 1 383 . 1 . 1 43 43 PRO HG3 H 1 1.888 0.020 . 2 . . . . . 110 PRO HG3 . 51790 1 384 . 1 . 1 43 43 PRO HD2 H 1 3.606 0.020 . 2 . . . . . 110 PRO HD2 . 51790 1 385 . 1 . 1 43 43 PRO HD3 H 1 3.525 0.020 . 2 . . . . . 110 PRO HD3 . 51790 1 386 . 1 . 1 43 43 PRO C C 13 176.603 0.3 . 1 . . . . . 110 PRO C . 51790 1 387 . 1 . 1 43 43 PRO CA C 13 62.057 0.3 . 1 . . . . . 110 PRO CA . 51790 1 388 . 1 . 1 43 43 PRO CB C 13 30.912 0.3 . 1 . . . . . 110 PRO CB . 51790 1 389 . 1 . 1 43 43 PRO CG C 13 26.412 0.3 . 1 . . . . . 110 PRO CG . 51790 1 390 . 1 . 1 43 43 PRO CD C 13 49.452 0.3 . 1 . . . . . 110 PRO CD . 51790 1 391 . 1 . 1 44 44 CYS H H 1 8.136 0.020 . 1 . . . . . 111 CYS H . 51790 1 392 . 1 . 1 44 44 CYS HA H 1 4.618 0.020 . 1 . . . . . 111 CYS HA . 51790 1 393 . 1 . 1 44 44 CYS C C 13 177.206 0.3 . 1 . . . . . 111 CYS C . 51790 1 394 . 1 . 1 44 44 CYS CA C 13 54.606 0.3 . 1 . . . . . 111 CYS CA . 51790 1 395 . 1 . 1 44 44 CYS CB C 13 41.061 0.3 . 1 . . . . . 111 CYS CB . 51790 1 396 . 1 . 1 44 44 CYS N N 15 123.976 0.3 . 1 . . . . . 111 CYS N . 51790 1 397 . 1 . 1 45 45 HIS H H 1 8.204 0.020 . 1 . . . . . 112 HIS H . 51790 1 398 . 1 . 1 45 45 HIS C C 13 175.888 0.3 . 1 . . . . . 112 HIS C . 51790 1 399 . 1 . 1 45 45 HIS CA C 13 55.091 0.3 . 1 . . . . . 112 HIS CA . 51790 1 400 . 1 . 1 45 45 HIS CB C 13 29.661 0.3 . 1 . . . . . 112 HIS CB . 51790 1 401 . 1 . 1 45 45 HIS N N 15 123.659 0.3 . 1 . . . . . 112 HIS N . 51790 1 402 . 1 . 1 46 46 MET H H 1 7.380 0.020 . 1 . . . . . 113 MET H . 51790 1 403 . 1 . 1 46 46 MET HA H 1 4.312 0.020 . 1 . . . . . 113 MET HA . 51790 1 404 . 1 . 1 46 46 MET HB2 H 1 2.169 0.020 . 2 . . . . . 113 MET HB2 . 51790 1 405 . 1 . 1 46 46 MET HB3 H 1 2.154 0.020 . 2 . . . . . 113 MET HB3 . 51790 1 406 . 1 . 1 46 46 MET C C 13 173.137 0.3 . 1 . . . . . 113 MET C . 51790 1 407 . 1 . 1 46 46 MET CA C 13 54.307 0.3 . 1 . . . . . 113 MET CA . 51790 1 408 . 1 . 1 46 46 MET CB C 13 31.278 0.3 . 1 . . . . . 113 MET CB . 51790 1 409 . 1 . 1 46 46 MET CG C 13 31.428 0.3 . 1 . . . . . 113 MET CG . 51790 1 410 . 1 . 1 46 46 MET N N 15 124.465 0.3 . 1 . . . . . 113 MET N . 51790 1 411 . 1 . 1 47 47 LYS H H 1 7.724 0.020 . 1 . . . . . 114 LYS H . 51790 1 412 . 1 . 1 47 47 LYS HA H 1 4.288 0.020 . 1 . . . . . 114 LYS HA . 51790 1 413 . 1 . 1 47 47 LYS HB2 H 1 1.486 0.020 . 2 . . . . . 114 LYS HB2 . 51790 1 414 . 1 . 1 47 47 LYS HB3 H 1 1.505 0.020 . 2 . . . . . 114 LYS HB3 . 51790 1 415 . 1 . 1 47 47 LYS HG2 H 1 1.074 0.020 . 2 . . . . . 114 LYS HG2 . 51790 1 416 . 1 . 1 47 47 LYS HG3 H 1 1.054 0.020 . 2 . . . . . 114 LYS HG3 . 51790 1 417 . 1 . 1 47 47 LYS HD2 H 1 1.294 0.020 . 2 . . . . . 114 LYS HD2 . 51790 1 418 . 1 . 1 47 47 LYS HD3 H 1 1.315 0.020 . 2 . . . . . 114 LYS HD3 . 51790 1 419 . 1 . 1 47 47 LYS HE2 H 1 2.708 0.020 . 1 . . . . . 114 LYS HE2 . 51790 1 420 . 1 . 1 47 47 LYS C C 13 174.580 0.3 . 1 . . . . . 114 LYS C . 51790 1 421 . 1 . 1 47 47 LYS CA C 13 55.297 0.3 . 1 . . . . . 114 LYS CA . 51790 1 422 . 1 . 1 47 47 LYS CB C 13 31.466 0.3 . 1 . . . . . 114 LYS CB . 51790 1 423 . 1 . 1 47 47 LYS CG C 13 23.429 0.3 . 1 . . . . . 114 LYS CG . 51790 1 424 . 1 . 1 47 47 LYS CD C 13 28.047 0.3 . 1 . . . . . 114 LYS CD . 51790 1 425 . 1 . 1 47 47 LYS N N 15 122.751 0.3 . 1 . . . . . 114 LYS N . 51790 1 426 . 1 . 1 48 48 ILE H H 1 8.009 0.020 . 1 . . . . . 115 ILE H . 51790 1 427 . 1 . 1 48 48 ILE HA H 1 3.952 0.020 . 1 . . . . . 115 ILE HA . 51790 1 428 . 1 . 1 48 48 ILE HG21 H 1 0.835 0.020 . 1 . . . . . 115 ILE HG2 . 51790 1 429 . 1 . 1 48 48 ILE HG22 H 1 0.835 0.020 . 1 . . . . . 115 ILE HG2 . 51790 1 430 . 1 . 1 48 48 ILE HG23 H 1 0.835 0.020 . 1 . . . . . 115 ILE HG2 . 51790 1 431 . 1 . 1 48 48 ILE HD11 H 1 0.427 0.020 . 1 . . . . . 115 ILE HD1 . 51790 1 432 . 1 . 1 48 48 ILE HD12 H 1 0.427 0.020 . 1 . . . . . 115 ILE HD1 . 51790 1 433 . 1 . 1 48 48 ILE HD13 H 1 0.427 0.020 . 1 . . . . . 115 ILE HD1 . 51790 1 434 . 1 . 1 48 48 ILE C C 13 174.548 0.3 . 1 . . . . . 115 ILE C . 51790 1 435 . 1 . 1 48 48 ILE CA C 13 59.112 0.3 . 1 . . . . . 115 ILE CA . 51790 1 436 . 1 . 1 48 48 ILE CB C 13 39.283 0.3 . 1 . . . . . 115 ILE CB . 51790 1 437 . 1 . 1 48 48 ILE CG1 C 13 26.802 0.3 . 1 . . . . . 115 ILE CG1 . 51790 1 438 . 1 . 1 48 48 ILE CG2 C 13 16.503 0.3 . 1 . . . . . 115 ILE CG2 . 51790 1 439 . 1 . 1 48 48 ILE CD1 C 13 12.312 0.3 . 1 . . . . . 115 ILE CD1 . 51790 1 440 . 1 . 1 48 48 ILE N N 15 120.448 0.3 . 1 . . . . . 115 ILE N . 51790 1 441 . 1 . 1 49 49 PHE H H 1 8.610 0.020 . 1 . . . . . 116 PHE H . 51790 1 442 . 1 . 1 49 49 PHE HA H 1 5.130 0.020 . 1 . . . . . 116 PHE HA . 51790 1 443 . 1 . 1 49 49 PHE HB2 H 1 2.641 0.020 . 2 . . . . . 116 PHE HB2 . 51790 1 444 . 1 . 1 49 49 PHE HB3 H 1 2.633 0.020 . 2 . . . . . 116 PHE HB3 . 51790 1 445 . 1 . 1 49 49 PHE HD1 H 1 6.764 0.020 . 1 . . . . . 116 PHE HD1 . 51790 1 446 . 1 . 1 49 49 PHE HD2 H 1 6.764 0.020 . 1 . . . . . 116 PHE HD2 . 51790 1 447 . 1 . 1 49 49 PHE C C 13 175.410 0.3 . 1 . . . . . 116 PHE C . 51790 1 448 . 1 . 1 49 49 PHE CA C 13 56.121 0.3 . 1 . . . . . 116 PHE CA . 51790 1 449 . 1 . 1 49 49 PHE CB C 13 41.452 0.3 . 1 . . . . . 116 PHE CB . 51790 1 450 . 1 . 1 49 49 PHE N N 15 123.708 0.3 . 1 . . . . . 116 PHE N . 51790 1 451 . 1 . 1 50 50 THR H H 1 9.291 0.020 . 1 . . . . . 117 THR H . 51790 1 452 . 1 . 1 50 50 THR HA H 1 4.627 0.020 . 1 . . . . . 117 THR HA . 51790 1 453 . 1 . 1 50 50 THR HB H 1 3.977 0.020 . 1 . . . . . 117 THR HB . 51790 1 454 . 1 . 1 50 50 THR HG1 H 1 5.224 0.020 . 1 . . . . . 117 THR HG1 . 51790 1 455 . 1 . 1 50 50 THR HG21 H 1 1.322 0.020 . 1 . . . . . 117 THR HG2 . 51790 1 456 . 1 . 1 50 50 THR HG22 H 1 1.322 0.020 . 1 . . . . . 117 THR HG2 . 51790 1 457 . 1 . 1 50 50 THR HG23 H 1 1.322 0.020 . 1 . . . . . 117 THR HG2 . 51790 1 458 . 1 . 1 50 50 THR C C 13 174.432 0.3 . 1 . . . . . 117 THR C . 51790 1 459 . 1 . 1 50 50 THR CA C 13 62.856 0.3 . 1 . . . . . 117 THR CA . 51790 1 460 . 1 . 1 50 50 THR CB C 13 68.658 0.3 . 1 . . . . . 117 THR CB . 51790 1 461 . 1 . 1 50 50 THR CG2 C 13 21.058 0.3 . 1 . . . . . 117 THR CG2 . 51790 1 462 . 1 . 1 50 50 THR N N 15 122.323 0.3 . 1 . . . . . 117 THR N . 51790 1 463 . 1 . 1 51 51 GLY H H 1 9.811 0.020 . 1 . . . . . 118 GLY H . 51790 1 464 . 1 . 1 51 51 GLY HA2 H 1 4.182 0.020 . 1 . . . . . 118 GLY HA2 . 51790 1 465 . 1 . 1 51 51 GLY HA3 H 1 4.615 0.020 . 2 . . . . . 118 GLY HA3 . 51790 1 466 . 1 . 1 51 51 GLY C C 13 169.521 0.3 . 1 . . . . . 118 GLY C . 51790 1 467 . 1 . 1 51 51 GLY CA C 13 43.824 0.3 . 1 . . . . . 118 GLY CA . 51790 1 468 . 1 . 1 51 51 GLY N N 15 119.530 0.3 . 1 . . . . . 118 GLY N . 51790 1 469 . 1 . 1 52 52 LYS H H 1 8.258 0.020 . 1 . . . . . 119 LYS H . 51790 1 470 . 1 . 1 52 52 LYS HA H 1 4.624 0.020 . 1 . . . . . 119 LYS HA . 51790 1 471 . 1 . 1 52 52 LYS HB2 H 1 1.709 0.020 . 1 . . . . . 119 LYS HB2 . 51790 1 472 . 1 . 1 52 52 LYS HG2 H 1 1.114 0.020 . 2 . . . . . 119 LYS HG2 . 51790 1 473 . 1 . 1 52 52 LYS HG3 H 1 1.132 0.020 . 2 . . . . . 119 LYS HG3 . 51790 1 474 . 1 . 1 52 52 LYS HD2 H 1 1.526 0.020 . 1 . . . . . 119 LYS HD2 . 51790 1 475 . 1 . 1 52 52 LYS HD3 H 1 1.526 0.020 . 1 . . . . . 119 LYS HD3 . 51790 1 476 . 1 . 1 52 52 LYS C C 13 174.525 0.3 . 1 . . . . . 119 LYS C . 51790 1 477 . 1 . 1 52 52 LYS CA C 13 52.571 0.3 . 1 . . . . . 119 LYS CA . 51790 1 478 . 1 . 1 52 52 LYS CB C 13 35.297 0.3 . 1 . . . . . 119 LYS CB . 51790 1 479 . 1 . 1 52 52 LYS CD C 13 28.600 0.3 . 1 . . . . . 119 LYS CD . 51790 1 480 . 1 . 1 52 52 LYS N N 15 125.635 0.3 . 1 . . . . . 119 LYS N . 51790 1 481 . 1 . 1 53 53 VAL H H 1 8.873 0.020 . 1 . . . . . 120 VAL H . 51790 1 482 . 1 . 1 53 53 VAL HA H 1 4.957 0.020 . 1 . . . . . 120 VAL HA . 51790 1 483 . 1 . 1 53 53 VAL HB H 1 1.179 0.020 . 1 . . . . . 120 VAL HB . 51790 1 484 . 1 . 1 53 53 VAL HG11 H 1 0.512 0.020 . 1 . . . . . 120 VAL HG1 . 51790 1 485 . 1 . 1 53 53 VAL HG12 H 1 0.512 0.020 . 1 . . . . . 120 VAL HG1 . 51790 1 486 . 1 . 1 53 53 VAL HG13 H 1 0.512 0.020 . 1 . . . . . 120 VAL HG1 . 51790 1 487 . 1 . 1 53 53 VAL C C 13 172.248 0.3 . 1 . . . . . 120 VAL C . 51790 1 488 . 1 . 1 53 53 VAL CA C 13 56.919 0.3 . 1 . . . . . 120 VAL CA . 51790 1 489 . 1 . 1 53 53 VAL CB C 13 34.160 0.3 . 1 . . . . . 120 VAL CB . 51790 1 490 . 1 . 1 53 53 VAL CG1 C 13 21.854 0.3 . 1 . . . . . 120 VAL CG1 . 51790 1 491 . 1 . 1 53 53 VAL CG2 C 13 20.908 0.3 . 1 . . . . . 120 VAL CG2 . 51790 1 492 . 1 . 1 53 53 VAL N N 15 126.705 0.3 . 1 . . . . . 120 VAL N . 51790 1 493 . 1 . 1 54 54 THR H H 1 8.064 0.020 . 1 . . . . . 121 THR H . 51790 1 494 . 1 . 1 54 54 THR HA H 1 5.166 0.020 . 1 . . . . . 121 THR HA . 51790 1 495 . 1 . 1 54 54 THR HB H 1 4.145 0.020 . 1 . . . . . 121 THR HB . 51790 1 496 . 1 . 1 54 54 THR HG21 H 1 0.807 0.020 . 1 . . . . . 121 THR HG2 . 51790 1 497 . 1 . 1 54 54 THR HG22 H 1 0.807 0.020 . 1 . . . . . 121 THR HG2 . 51790 1 498 . 1 . 1 54 54 THR HG23 H 1 0.807 0.020 . 1 . . . . . 121 THR HG2 . 51790 1 499 . 1 . 1 54 54 THR C C 13 174.537 0.3 . 1 . . . . . 121 THR C . 51790 1 500 . 1 . 1 54 54 THR CA C 13 60.954 0.3 . 1 . . . . . 121 THR CA . 51790 1 501 . 1 . 1 54 54 THR CB C 13 69.023 0.3 . 1 . . . . . 121 THR CB . 51790 1 502 . 1 . 1 54 54 THR CG2 C 13 20.006 0.3 . 1 . . . . . 121 THR CG2 . 51790 1 503 . 1 . 1 54 54 THR N N 15 124.427 0.3 . 1 . . . . . 121 THR N . 51790 1 504 . 1 . 1 55 55 VAL H H 1 9.393 0.020 . 1 . . . . . 122 VAL H . 51790 1 505 . 1 . 1 55 55 VAL HA H 1 3.907 0.020 . 1 . . . . . 122 VAL HA . 51790 1 506 . 1 . 1 55 55 VAL HB H 1 1.745 0.020 . 1 . . . . . 122 VAL HB . 51790 1 507 . 1 . 1 55 55 VAL HG11 H 1 0.692 0.020 . 2 . . . . . 122 VAL HG1 . 51790 1 508 . 1 . 1 55 55 VAL HG12 H 1 0.692 0.020 . 2 . . . . . 122 VAL HG1 . 51790 1 509 . 1 . 1 55 55 VAL HG13 H 1 0.692 0.020 . 2 . . . . . 122 VAL HG1 . 51790 1 510 . 1 . 1 55 55 VAL HG21 H 1 0.676 0.020 . 2 . . . . . 122 VAL HG2 . 51790 1 511 . 1 . 1 55 55 VAL HG22 H 1 0.676 0.020 . 2 . . . . . 122 VAL HG2 . 51790 1 512 . 1 . 1 55 55 VAL HG23 H 1 0.676 0.020 . 2 . . . . . 122 VAL HG2 . 51790 1 513 . 1 . 1 55 55 VAL C C 13 172.806 0.3 . 1 . . . . . 122 VAL C . 51790 1 514 . 1 . 1 55 55 VAL CA C 13 59.289 0.3 . 1 . . . . . 122 VAL CA . 51790 1 515 . 1 . 1 55 55 VAL CB C 13 34.374 0.3 . 1 . . . . . 122 VAL CB . 51790 1 516 . 1 . 1 55 55 VAL CG1 C 13 20.658 0.3 . 1 . . . . . 122 VAL CG1 . 51790 1 517 . 1 . 1 55 55 VAL CG2 C 13 21.087 0.3 . 1 . . . . . 122 VAL CG2 . 51790 1 518 . 1 . 1 55 55 VAL N N 15 132.350 0.3 . 1 . . . . . 122 VAL N . 51790 1 519 . 1 . 1 56 56 GLU H H 1 9.064 0.020 . 1 . . . . . 123 GLU H . 51790 1 520 . 1 . 1 56 56 GLU HA H 1 4.616 0.020 . 1 . . . . . 123 GLU HA . 51790 1 521 . 1 . 1 56 56 GLU HB2 H 1 1.707 0.020 . 1 . . . . . 123 GLU HB2 . 51790 1 522 . 1 . 1 56 56 GLU C C 13 174.223 0.3 . 1 . . . . . 123 GLU C . 51790 1 523 . 1 . 1 56 56 GLU CA C 13 54.133 0.3 . 1 . . . . . 123 GLU CA . 51790 1 524 . 1 . 1 56 56 GLU CB C 13 28.680 0.3 . 1 . . . . . 123 GLU CB . 51790 1 525 . 1 . 1 56 56 GLU N N 15 130.338 0.3 . 1 . . . . . 123 GLU N . 51790 1 526 . 1 . 1 58 58 LYS H H 1 8.410 0.020 . 1 . . . . . 125 LYS H . 51790 1 527 . 1 . 1 58 58 LYS HA H 1 4.617 0.020 . 1 . . . . . 125 LYS HA . 51790 1 528 . 1 . 1 58 58 LYS HB2 H 1 1.605 0.020 . 1 . . . . . 125 LYS HB2 . 51790 1 529 . 1 . 1 58 58 LYS HG2 H 1 1.102 0.020 . 2 . . . . . 125 LYS HG2 . 51790 1 530 . 1 . 1 58 58 LYS HG3 H 1 1.083 0.020 . 2 . . . . . 125 LYS HG3 . 51790 1 531 . 1 . 1 58 58 LYS HD2 H 1 1.643 0.020 . 2 . . . . . 125 LYS HD2 . 51790 1 532 . 1 . 1 58 58 LYS HD3 H 1 1.643 0.020 . 2 . . . . . 125 LYS HD3 . 51790 1 533 . 1 . 1 58 58 LYS HE2 H 1 2.937 0.020 . 2 . . . . . 125 LYS HE2 . 51790 1 534 . 1 . 1 58 58 LYS HE3 H 1 2.920 0.020 . 2 . . . . . 125 LYS HE3 . 51790 1 535 . 1 . 1 58 58 LYS C C 13 174.959 0.3 . 1 . . . . . 125 LYS C . 51790 1 536 . 1 . 1 58 58 LYS CA C 13 54.979 0.3 . 1 . . . . . 125 LYS CA . 51790 1 537 . 1 . 1 58 58 LYS CB C 13 32.807 0.3 . 1 . . . . . 125 LYS CB . 51790 1 538 . 1 . 1 58 58 LYS CG C 13 23.751 0.3 . 1 . . . . . 125 LYS CG . 51790 1 539 . 1 . 1 58 58 LYS CD C 13 28.453 0.3 . 1 . . . . . 125 LYS CD . 51790 1 540 . 1 . 1 58 58 LYS CE C 13 41.328 0.3 . 1 . . . . . 125 LYS CE . 51790 1 541 . 1 . 1 58 58 LYS N N 15 121.358 0.3 . 1 . . . . . 125 LYS N . 51790 1 542 . 1 . 1 59 59 GLU H H 1 8.192 0.020 . 1 . . . . . 126 GLU H . 51790 1 543 . 1 . 1 59 59 GLU HA H 1 4.603 0.020 . 1 . . . . . 126 GLU HA . 51790 1 544 . 1 . 1 59 59 GLU HB2 H 1 2.084 0.020 . 1 . . . . . 126 GLU HB2 . 51790 1 545 . 1 . 1 59 59 GLU HG2 H 1 2.110 0.020 . 1 . . . . . 126 GLU HG2 . 51790 1 546 . 1 . 1 59 59 GLU C C 13 175.414 0.3 . 1 . . . . . 126 GLU C . 51790 1 547 . 1 . 1 59 59 GLU CA C 13 54.346 0.3 . 1 . . . . . 126 GLU CA . 51790 1 548 . 1 . 1 59 59 GLU CB C 13 31.325 0.3 . 1 . . . . . 126 GLU CB . 51790 1 549 . 1 . 1 59 59 GLU CG C 13 35.887 0.3 . 1 . . . . . 126 GLU CG . 51790 1 550 . 1 . 1 59 59 GLU N N 15 127.289 0.3 . 1 . . . . . 126 GLU N . 51790 1 551 . 1 . 1 60 60 ASP H H 1 9.016 0.020 . 1 . . . . . 127 ASP H . 51790 1 552 . 1 . 1 60 60 ASP HA H 1 4.613 0.020 . 1 . . . . . 127 ASP HA . 51790 1 553 . 1 . 1 60 60 ASP HB2 H 1 2.713 0.020 . 2 . . . . . 127 ASP HB2 . 51790 1 554 . 1 . 1 60 60 ASP HB3 H 1 2.774 0.020 . 2 . . . . . 127 ASP HB3 . 51790 1 555 . 1 . 1 60 60 ASP C C 13 175.624 0.3 . 1 . . . . . 127 ASP C . 51790 1 556 . 1 . 1 60 60 ASP CA C 13 56.069 0.3 . 1 . . . . . 127 ASP CA . 51790 1 557 . 1 . 1 60 60 ASP CB C 13 39.040 0.3 . 1 . . . . . 127 ASP CB . 51790 1 558 . 1 . 1 60 60 ASP N N 15 126.095 0.3 . 1 . . . . . 127 ASP N . 51790 1 559 . 1 . 1 61 61 SER H H 1 8.332 0.020 . 1 . . . . . 128 SER H . 51790 1 560 . 1 . 1 61 61 SER HA H 1 4.185 0.020 . 1 . . . . . 128 SER HA . 51790 1 561 . 1 . 1 61 61 SER HB2 H 1 4.089 0.020 . 2 . . . . . 128 SER HB2 . 51790 1 562 . 1 . 1 61 61 SER HB3 H 1 3.952 0.020 . 2 . . . . . 128 SER HB3 . 51790 1 563 . 1 . 1 61 61 SER C C 13 173.331 0.3 . 1 . . . . . 128 SER C . 51790 1 564 . 1 . 1 61 61 SER CA C 13 58.764 0.3 . 1 . . . . . 128 SER CA . 51790 1 565 . 1 . 1 61 61 SER CB C 13 62.737 0.3 . 1 . . . . . 128 SER CB . 51790 1 566 . 1 . 1 61 61 SER N N 15 114.188 0.3 . 1 . . . . . 128 SER N . 51790 1 567 . 1 . 1 62 62 ARG H H 1 7.812 0.020 . 1 . . . . . 129 ARG H . 51790 1 568 . 1 . 1 62 62 ARG HA H 1 4.618 0.020 . 1 . . . . . 129 ARG HA . 51790 1 569 . 1 . 1 62 62 ARG HB2 H 1 1.757 0.020 . 2 . . . . . 129 ARG HB2 . 51790 1 570 . 1 . 1 62 62 ARG HB3 H 1 1.733 0.020 . 2 . . . . . 129 ARG HB3 . 51790 1 571 . 1 . 1 62 62 ARG HG2 H 1 1.450 0.020 . 2 . . . . . 129 ARG HG2 . 51790 1 572 . 1 . 1 62 62 ARG HG3 H 1 1.434 0.020 . 2 . . . . . 129 ARG HG3 . 51790 1 573 . 1 . 1 62 62 ARG HD2 H 1 3.033 0.020 . 2 . . . . . 129 ARG HD2 . 51790 1 574 . 1 . 1 62 62 ARG HD3 H 1 3.013 0.020 . 2 . . . . . 129 ARG HD3 . 51790 1 575 . 1 . 1 62 62 ARG C C 13 174.993 0.3 . 1 . . . . . 129 ARG C . 51790 1 576 . 1 . 1 62 62 ARG CA C 13 54.979 0.3 . 1 . . . . . 129 ARG CA . 51790 1 577 . 1 . 1 62 62 ARG CB C 13 30.848 0.3 . 1 . . . . . 129 ARG CB . 51790 1 578 . 1 . 1 62 62 ARG CG C 13 26.368 0.3 . 1 . . . . . 129 ARG CG . 51790 1 579 . 1 . 1 62 62 ARG CD C 13 42.532 0.3 . 1 . . . . . 129 ARG CD . 51790 1 580 . 1 . 1 62 62 ARG N N 15 123.361 0.3 . 1 . . . . . 129 ARG N . 51790 1 581 . 1 . 1 63 63 ILE H H 1 8.321 0.020 . 1 . . . . . 130 ILE H . 51790 1 582 . 1 . 1 63 63 ILE HA H 1 4.625 0.020 . 1 . . . . . 130 ILE HA . 51790 1 583 . 1 . 1 63 63 ILE HB H 1 1.652 0.020 . 1 . . . . . 130 ILE HB . 51790 1 584 . 1 . 1 63 63 ILE HG12 H 1 1.079 0.020 . 2 . . . . . 130 ILE HG12 . 51790 1 585 . 1 . 1 63 63 ILE HG13 H 1 1.098 0.020 . 2 . . . . . 130 ILE HG13 . 51790 1 586 . 1 . 1 63 63 ILE HD11 H 1 0.543 0.020 . 1 . . . . . 130 ILE HD1 . 51790 1 587 . 1 . 1 63 63 ILE HD12 H 1 0.543 0.020 . 1 . . . . . 130 ILE HD1 . 51790 1 588 . 1 . 1 63 63 ILE HD13 H 1 0.543 0.020 . 1 . . . . . 130 ILE HD1 . 51790 1 589 . 1 . 1 63 63 ILE C C 13 176.220 0.3 . 1 . . . . . 130 ILE C . 51790 1 590 . 1 . 1 63 63 ILE CA C 13 59.122 0.3 . 1 . . . . . 130 ILE CA . 51790 1 591 . 1 . 1 63 63 ILE CB C 13 38.700 0.3 . 1 . . . . . 130 ILE CB . 51790 1 592 . 1 . 1 63 63 ILE CG2 C 13 16.552 0.3 . 1 . . . . . 130 ILE CG2 . 51790 1 593 . 1 . 1 63 63 ILE CD1 C 13 11.705 0.3 . 1 . . . . . 130 ILE CD1 . 51790 1 594 . 1 . 1 63 63 ILE N N 15 126.483 0.3 . 1 . . . . . 130 ILE N . 51790 1 595 . 1 . 1 64 64 THR H H 1 8.279 0.020 . 1 . . . . . 131 THR H . 51790 1 596 . 1 . 1 64 64 THR HA H 1 4.213 0.020 . 1 . . . . . 131 THR HA . 51790 1 597 . 1 . 1 64 64 THR HB H 1 4.064 0.020 . 1 . . . . . 131 THR HB . 51790 1 598 . 1 . 1 64 64 THR HG21 H 1 0.823 0.020 . 1 . . . . . 131 THR HG2 . 51790 1 599 . 1 . 1 64 64 THR HG22 H 1 0.823 0.020 . 1 . . . . . 131 THR HG2 . 51790 1 600 . 1 . 1 64 64 THR HG23 H 1 0.823 0.020 . 1 . . . . . 131 THR HG2 . 51790 1 601 . 1 . 1 64 64 THR C C 13 172.575 0.3 . 1 . . . . . 131 THR C . 51790 1 602 . 1 . 1 64 64 THR CA C 13 61.121 0.3 . 1 . . . . . 131 THR CA . 51790 1 603 . 1 . 1 64 64 THR CB C 13 70.200 0.3 . 1 . . . . . 131 THR CB . 51790 1 604 . 1 . 1 64 64 THR CG2 C 13 20.001 0.3 . 1 . . . . . 131 THR CG2 . 51790 1 605 . 1 . 1 64 64 THR N N 15 126.466 0.3 . 1 . . . . . 131 THR N . 51790 1 606 . 1 . 1 65 65 VAL H H 1 8.285 0.020 . 1 . . . . . 132 VAL H . 51790 1 607 . 1 . 1 65 65 VAL HA H 1 4.429 0.020 . 1 . . . . . 132 VAL HA . 51790 1 608 . 1 . 1 65 65 VAL HG11 H 1 0.472 0.020 . 2 . . . . . 132 VAL HG1 . 51790 1 609 . 1 . 1 65 65 VAL HG12 H 1 0.472 0.020 . 2 . . . . . 132 VAL HG1 . 51790 1 610 . 1 . 1 65 65 VAL HG13 H 1 0.472 0.020 . 2 . . . . . 132 VAL HG1 . 51790 1 611 . 1 . 1 65 65 VAL HG21 H 1 0.440 0.020 . 2 . . . . . 132 VAL HG2 . 51790 1 612 . 1 . 1 65 65 VAL HG22 H 1 0.440 0.020 . 2 . . . . . 132 VAL HG2 . 51790 1 613 . 1 . 1 65 65 VAL HG23 H 1 0.440 0.020 . 2 . . . . . 132 VAL HG2 . 51790 1 614 . 1 . 1 65 65 VAL C C 13 172.068 0.3 . 1 . . . . . 132 VAL C . 51790 1 615 . 1 . 1 65 65 VAL CA C 13 62.336 0.3 . 1 . . . . . 132 VAL CA . 51790 1 616 . 1 . 1 65 65 VAL CB C 13 30.655 0.3 . 1 . . . . . 132 VAL CB . 51790 1 617 . 1 . 1 65 65 VAL CG1 C 13 20.207 0.3 . 1 . . . . . 132 VAL CG1 . 51790 1 618 . 1 . 1 65 65 VAL CG2 C 13 20.175 0.3 . 1 . . . . . 132 VAL CG2 . 51790 1 619 . 1 . 1 65 65 VAL N N 15 129.744 0.3 . 1 . . . . . 132 VAL N . 51790 1 620 . 1 . 1 66 66 LEU H H 1 8.718 0.020 . 1 . . . . . 133 LEU H . 51790 1 621 . 1 . 1 66 66 LEU HB2 H 1 1.599 0.020 . 1 . . . . . 133 LEU HB2 . 51790 1 622 . 1 . 1 66 66 LEU HB3 H 1 1.599 0.020 . 1 . . . . . 133 LEU HB3 . 51790 1 623 . 1 . 1 66 66 LEU HG H 1 1.560 0.020 . 1 . . . . . 133 LEU HG . 51790 1 624 . 1 . 1 66 66 LEU HD11 H 1 0.520 0.020 . 2 . . . . . 133 LEU HD1 . 51790 1 625 . 1 . 1 66 66 LEU HD12 H 1 0.520 0.020 . 2 . . . . . 133 LEU HD1 . 51790 1 626 . 1 . 1 66 66 LEU HD13 H 1 0.520 0.020 . 2 . . . . . 133 LEU HD1 . 51790 1 627 . 1 . 1 66 66 LEU HD21 H 1 0.539 0.020 . 2 . . . . . 133 LEU HD2 . 51790 1 628 . 1 . 1 66 66 LEU HD22 H 1 0.539 0.020 . 2 . . . . . 133 LEU HD2 . 51790 1 629 . 1 . 1 66 66 LEU HD23 H 1 0.539 0.020 . 2 . . . . . 133 LEU HD2 . 51790 1 630 . 1 . 1 66 66 LEU C C 13 173.920 0.3 . 1 . . . . . 133 LEU C . 51790 1 631 . 1 . 1 66 66 LEU CA C 13 52.235 0.3 . 1 . . . . . 133 LEU CA . 51790 1 632 . 1 . 1 66 66 LEU CB C 13 42.767 0.3 . 1 . . . . . 133 LEU CB . 51790 1 633 . 1 . 1 66 66 LEU CD1 C 13 23.976 0.3 . 1 . . . . . 133 LEU CD1 . 51790 1 634 . 1 . 1 66 66 LEU CD2 C 13 24.137 0.3 . 1 . . . . . 133 LEU CD2 . 51790 1 635 . 1 . 1 66 66 LEU N N 15 132.683 0.3 . 1 . . . . . 133 LEU N . 51790 1 636 . 1 . 1 67 67 GLU H H 1 8.995 0.020 . 1 . . . . . 134 GLU H . 51790 1 637 . 1 . 1 67 67 GLU HA H 1 4.651 0.020 . 1 . . . . . 134 GLU HA . 51790 1 638 . 1 . 1 67 67 GLU HB2 H 1 1.919 0.020 . 2 . . . . . 134 GLU HB2 . 51790 1 639 . 1 . 1 67 67 GLU HB3 H 1 1.904 0.020 . 2 . . . . . 134 GLU HB3 . 51790 1 640 . 1 . 1 67 67 GLU C C 13 174.854 0.3 . 1 . . . . . 134 GLU C . 51790 1 641 . 1 . 1 67 67 GLU CA C 13 53.720 0.3 . 1 . . . . . 134 GLU CA . 51790 1 642 . 1 . 1 67 67 GLU CB C 13 31.964 0.3 . 1 . . . . . 134 GLU CB . 51790 1 643 . 1 . 1 67 67 GLU CG C 13 36.049 0.3 . 1 . . . . . 134 GLU CG . 51790 1 644 . 1 . 1 67 67 GLU N N 15 129.273 0.3 . 1 . . . . . 134 GLU N . 51790 1 645 . 1 . 1 68 68 CYS H H 1 8.747 0.020 . 1 . . . . . 135 CYS H . 51790 1 646 . 1 . 1 68 68 CYS HB2 H 1 2.783 0.020 . 2 . . . . . 135 CYS HB2 . 51790 1 647 . 1 . 1 68 68 CYS HB3 H 1 2.748 0.020 . 2 . . . . . 135 CYS HB3 . 51790 1 648 . 1 . 1 68 68 CYS C C 13 172.586 0.3 . 1 . . . . . 135 CYS C . 51790 1 649 . 1 . 1 68 68 CYS CA C 13 55.248 0.3 . 1 . . . . . 135 CYS CA . 51790 1 650 . 1 . 1 68 68 CYS CB C 13 30.799 0.3 . 1 . . . . . 135 CYS CB . 51790 1 651 . 1 . 1 68 68 CYS N N 15 120.892 0.3 . 1 . . . . . 135 CYS N . 51790 1 652 . 1 . 1 69 69 PHE H H 1 8.521 0.020 . 1 . . . . . 136 PHE H . 51790 1 653 . 1 . 1 69 69 PHE HA H 1 4.623 0.020 . 1 . . . . . 136 PHE HA . 51790 1 654 . 1 . 1 69 69 PHE HB2 H 1 3.048 0.020 . 2 . . . . . 136 PHE HB2 . 51790 1 655 . 1 . 1 69 69 PHE HB3 H 1 3.019 0.020 . 2 . . . . . 136 PHE HB3 . 51790 1 656 . 1 . 1 69 69 PHE HD1 H 1 7.443 0.020 . 1 . . . . . 136 PHE HD1 . 51790 1 657 . 1 . 1 69 69 PHE HD2 H 1 7.443 0.020 . 1 . . . . . 136 PHE HD2 . 51790 1 658 . 1 . 1 69 69 PHE HE1 H 1 7.040 0.020 . 1 . . . . . 136 PHE HE1 . 51790 1 659 . 1 . 1 69 69 PHE HE2 H 1 7.040 0.020 . 1 . . . . . 136 PHE HE2 . 51790 1 660 . 1 . 1 69 69 PHE HZ H 1 6.649 0.020 . 1 . . . . . 136 PHE HZ . 51790 1 661 . 1 . 1 69 69 PHE C C 13 175.603 0.3 . 1 . . . . . 136 PHE C . 51790 1 662 . 1 . 1 69 69 PHE CA C 13 55.265 0.3 . 1 . . . . . 136 PHE CA . 51790 1 663 . 1 . 1 69 69 PHE CB C 13 42.171 0.3 . 1 . . . . . 136 PHE CB . 51790 1 664 . 1 . 1 69 69 PHE N N 15 121.688 0.3 . 1 . . . . . 136 PHE N . 51790 1 665 . 1 . 1 70 70 GLY H H 1 7.462 0.020 . 1 . . . . . 137 GLY H . 51790 1 666 . 1 . 1 70 70 GLY HA2 H 1 4.627 0.020 . 1 . . . . . 137 GLY HA2 . 51790 1 667 . 1 . 1 70 70 GLY HA3 H 1 4.627 0.020 . 1 . . . . . 137 GLY HA3 . 51790 1 668 . 1 . 1 70 70 GLY C C 13 173.661 0.3 . 1 . . . . . 137 GLY C . 51790 1 669 . 1 . 1 70 70 GLY CA C 13 43.365 0.3 . 1 . . . . . 137 GLY CA . 51790 1 670 . 1 . 1 70 70 GLY N N 15 103.6 0.3 . 1 . . . . . 137 GLY N . 51790 1 671 . 1 . 1 71 71 ASN H H 1 7.591 0.020 . 1 . . . . . 138 ASN H . 51790 1 672 . 1 . 1 71 71 ASN C C 13 173.784 0.3 . 1 . . . . . 138 ASN C . 51790 1 673 . 1 . 1 71 71 ASN CA C 13 51.089 0.3 . 1 . . . . . 138 ASN CA . 51790 1 674 . 1 . 1 71 71 ASN CB C 13 37.746 0.3 . 1 . . . . . 138 ASN CB . 51790 1 675 . 1 . 1 71 71 ASN N N 15 116.721 0.3 . 1 . . . . . 138 ASN N . 51790 1 676 . 1 . 1 72 72 PRO HB2 H 1 1.917 0.020 . 2 . . . . . 139 PRO HB2 . 51790 1 677 . 1 . 1 72 72 PRO HB3 H 1 1.936 0.020 . 2 . . . . . 139 PRO HB3 . 51790 1 678 . 1 . 1 72 72 PRO HG2 H 1 1.514 0.020 . 2 . . . . . 139 PRO HG2 . 51790 1 679 . 1 . 1 72 72 PRO HG3 H 1 1.493 0.020 . 2 . . . . . 139 PRO HG3 . 51790 1 680 . 1 . 1 72 72 PRO C C 13 176.939 0.3 . 1 . . . . . 139 PRO C . 51790 1 681 . 1 . 1 72 72 PRO CA C 13 62.316 0.3 . 1 . . . . . 139 PRO CA . 51790 1 682 . 1 . 1 72 72 PRO CB C 13 30.428 0.3 . 1 . . . . . 139 PRO CB . 51790 1 683 . 1 . 1 72 72 PRO CG C 13 26.383 0.3 . 1 . . . . . 139 PRO CG . 51790 1 684 . 1 . 1 73 73 GLN H H 1 9.142 0.020 . 1 . . . . . 140 GLN H . 51790 1 685 . 1 . 1 73 73 GLN HA H 1 4.597 0.020 . 1 . . . . . 140 GLN HA . 51790 1 686 . 1 . 1 73 73 GLN HB2 H 1 1.844 0.020 . 2 . . . . . 140 GLN HB2 . 51790 1 687 . 1 . 1 73 73 GLN HB3 H 1 1.867 0.020 . 2 . . . . . 140 GLN HB3 . 51790 1 688 . 1 . 1 73 73 GLN HG2 H 1 2.812 0.020 . 1 . . . . . 140 GLN HG2 . 51790 1 689 . 1 . 1 73 73 GLN HG3 H 1 2.812 0.020 . 1 . . . . . 140 GLN HG3 . 51790 1 690 . 1 . 1 73 73 GLN C C 13 175.521 0.3 . 1 . . . . . 140 GLN C . 51790 1 691 . 1 . 1 73 73 GLN CA C 13 52.598 0.3 . 1 . . . . . 140 GLN CA . 51790 1 692 . 1 . 1 73 73 GLN CB C 13 32.587 0.3 . 1 . . . . . 140 GLN CB . 51790 1 693 . 1 . 1 73 73 GLN CG C 13 30.173 0.3 . 1 . . . . . 140 GLN CG . 51790 1 694 . 1 . 1 73 73 GLN N N 15 121.219 0.3 . 1 . . . . . 140 GLN N . 51790 1 695 . 1 . 1 74 74 TYR H H 1 8.513 0.020 . 1 . . . . . 141 TYR H . 51790 1 696 . 1 . 1 74 74 TYR HA H 1 4.622 0.020 . 1 . . . . . 141 TYR HA . 51790 1 697 . 1 . 1 74 74 TYR HB2 H 1 2.843 0.020 . 2 . . . . . 141 TYR HB2 . 51790 1 698 . 1 . 1 74 74 TYR HB3 H 1 2.819 0.020 . 2 . . . . . 141 TYR HB3 . 51790 1 699 . 1 . 1 74 74 TYR HD1 H 1 7.470 0.020 . 1 . . . . . 141 TYR HD1 . 51790 1 700 . 1 . 1 74 74 TYR HD2 H 1 7.470 0.020 . 1 . . . . . 141 TYR HD2 . 51790 1 701 . 1 . 1 74 74 TYR C C 13 175.950 0.3 . 1 . . . . . 141 TYR C . 51790 1 702 . 1 . 1 74 74 TYR CA C 13 59.545 0.3 . 1 . . . . . 141 TYR CA . 51790 1 703 . 1 . 1 74 74 TYR CB C 13 37.693 0.3 . 1 . . . . . 141 TYR CB . 51790 1 704 . 1 . 1 74 74 TYR N N 15 120.655 0.3 . 1 . . . . . 141 TYR N . 51790 1 705 . 1 . 1 75 75 LYS H H 1 7.492 0.020 . 1 . . . . . 142 LYS H . 51790 1 706 . 1 . 1 75 75 LYS C C 13 176.711 0.3 . 1 . . . . . 142 LYS C . 51790 1 707 . 1 . 1 75 75 LYS CA C 13 53.771 0.3 . 1 . . . . . 142 LYS CA . 51790 1 708 . 1 . 1 75 75 LYS CB C 13 32.550 0.3 . 1 . . . . . 142 LYS CB . 51790 1 709 . 1 . 1 75 75 LYS N N 15 117.616 0.3 . 1 . . . . . 142 LYS N . 51790 1 710 . 1 . 1 77 77 LYS H H 1 8.617 0.020 . 1 . . . . . 144 LYS H . 51790 1 711 . 1 . 1 77 77 LYS HA H 1 4.338 0.020 . 1 . . . . . 144 LYS HA . 51790 1 712 . 1 . 1 77 77 LYS HB2 H 1 1.779 0.020 . 2 . . . . . 144 LYS HB2 . 51790 1 713 . 1 . 1 77 77 LYS HB3 H 1 1.757 0.020 . 2 . . . . . 144 LYS HB3 . 51790 1 714 . 1 . 1 77 77 LYS HG2 H 1 1.301 0.020 . 2 . . . . . 144 LYS HG2 . 51790 1 715 . 1 . 1 77 77 LYS HG3 H 1 1.315 0.020 . 2 . . . . . 144 LYS HG3 . 51790 1 716 . 1 . 1 77 77 LYS HD2 H 1 1.595 0.020 . 2 . . . . . 144 LYS HD2 . 51790 1 717 . 1 . 1 77 77 LYS HD3 H 1 1.607 0.020 . 2 . . . . . 144 LYS HD3 . 51790 1 718 . 1 . 1 77 77 LYS HE2 H 1 2.843 0.020 . 2 . . . . . 144 LYS HE2 . 51790 1 719 . 1 . 1 77 77 LYS HE3 H 1 2.850 0.020 . 2 . . . . . 144 LYS HE3 . 51790 1 720 . 1 . 1 77 77 LYS C C 13 179.287 0.3 . 1 . . . . . 144 LYS C . 51790 1 721 . 1 . 1 77 77 LYS CA C 13 59.067 0.3 . 1 . . . . . 144 LYS CA . 51790 1 722 . 1 . 1 77 77 LYS CB C 13 31.225 0.3 . 1 . . . . . 144 LYS CB . 51790 1 723 . 1 . 1 77 77 LYS CG C 13 24.042 0.3 . 1 . . . . . 144 LYS CG . 51790 1 724 . 1 . 1 77 77 LYS CE C 13 41.086 0.3 . 1 . . . . . 144 LYS CE . 51790 1 725 . 1 . 1 77 77 LYS N N 15 118.225 0.3 . 1 . . . . . 144 LYS N . 51790 1 726 . 1 . 1 78 78 ILE H H 1 6.605 0.020 . 1 . . . . . 145 ILE H . 51790 1 727 . 1 . 1 78 78 ILE HA H 1 4.613 0.020 . 1 . . . . . 145 ILE HA . 51790 1 728 . 1 . 1 78 78 ILE HB H 1 1.857 0.020 . 1 . . . . . 145 ILE HB . 51790 1 729 . 1 . 1 78 78 ILE HG21 H 1 0.956 0.020 . 1 . . . . . 145 ILE HG2 . 51790 1 730 . 1 . 1 78 78 ILE HG22 H 1 0.956 0.020 . 1 . . . . . 145 ILE HG2 . 51790 1 731 . 1 . 1 78 78 ILE HG23 H 1 0.956 0.020 . 1 . . . . . 145 ILE HG2 . 51790 1 732 . 1 . 1 78 78 ILE HD11 H 1 0.904 0.020 . 1 . . . . . 145 ILE HD1 . 51790 1 733 . 1 . 1 78 78 ILE HD12 H 1 0.904 0.020 . 1 . . . . . 145 ILE HD1 . 51790 1 734 . 1 . 1 78 78 ILE HD13 H 1 0.904 0.020 . 1 . . . . . 145 ILE HD1 . 51790 1 735 . 1 . 1 78 78 ILE C C 13 177.697 0.3 . 1 . . . . . 145 ILE C . 51790 1 736 . 1 . 1 78 78 ILE CA C 13 62.082 0.3 . 1 . . . . . 145 ILE CA . 51790 1 737 . 1 . 1 78 78 ILE CB C 13 35.943 0.3 . 1 . . . . . 145 ILE CB . 51790 1 738 . 1 . 1 78 78 ILE CG2 C 13 16.508 0.3 . 1 . . . . . 145 ILE CG2 . 51790 1 739 . 1 . 1 78 78 ILE CD1 C 13 10.782 0.3 . 1 . . . . . 145 ILE CD1 . 51790 1 740 . 1 . 1 78 78 ILE N N 15 119.060 0.3 . 1 . . . . . 145 ILE N . 51790 1 741 . 1 . 1 79 79 ALA H H 1 7.836 0.020 . 1 . . . . . 146 ALA H . 51790 1 742 . 1 . 1 79 79 ALA HA H 1 4.634 0.020 . 1 . . . . . 146 ALA HA . 51790 1 743 . 1 . 1 79 79 ALA HB1 H 1 1.625 0.020 . 1 . . . . . 146 ALA HB . 51790 1 744 . 1 . 1 79 79 ALA HB2 H 1 1.625 0.020 . 1 . . . . . 146 ALA HB . 51790 1 745 . 1 . 1 79 79 ALA HB3 H 1 1.625 0.020 . 1 . . . . . 146 ALA HB . 51790 1 746 . 1 . 1 79 79 ALA C C 13 180.871 0.3 . 1 . . . . . 146 ALA C . 51790 1 747 . 1 . 1 79 79 ALA CA C 13 55.251 0.3 . 1 . . . . . 146 ALA CA . 51790 1 748 . 1 . 1 79 79 ALA CB C 13 16.912 0.3 . 1 . . . . . 146 ALA CB . 51790 1 749 . 1 . 1 79 79 ALA N N 15 124.579 0.3 . 1 . . . . . 146 ALA N . 51790 1 750 . 1 . 1 80 80 ALA H H 1 8.485 0.020 . 1 . . . . . 147 ALA H . 51790 1 751 . 1 . 1 80 80 ALA HA H 1 4.094 0.020 . 1 . . . . . 147 ALA HA . 51790 1 752 . 1 . 1 80 80 ALA HB1 H 1 1.397 0.020 . 1 . . . . . 147 ALA HB . 51790 1 753 . 1 . 1 80 80 ALA HB2 H 1 1.397 0.020 . 1 . . . . . 147 ALA HB . 51790 1 754 . 1 . 1 80 80 ALA HB3 H 1 1.397 0.020 . 1 . . . . . 147 ALA HB . 51790 1 755 . 1 . 1 80 80 ALA C C 13 178.462 0.3 . 1 . . . . . 147 ALA C . 51790 1 756 . 1 . 1 80 80 ALA CA C 13 54.602 0.3 . 1 . . . . . 147 ALA CA . 51790 1 757 . 1 . 1 80 80 ALA CB C 13 17.654 0.3 . 1 . . . . . 147 ALA CB . 51790 1 758 . 1 . 1 80 80 ALA N N 15 121.275 0.3 . 1 . . . . . 147 ALA N . 51790 1 759 . 1 . 1 81 81 GLU H H 1 7.437 0.020 . 1 . . . . . 148 GLU H . 51790 1 760 . 1 . 1 81 81 GLU HA H 1 4.028 0.020 . 1 . . . . . 148 GLU HA . 51790 1 761 . 1 . 1 81 81 GLU C C 13 178.556 0.3 . 1 . . . . . 148 GLU C . 51790 1 762 . 1 . 1 81 81 GLU CA C 13 58.091 0.3 . 1 . . . . . 148 GLU CA . 51790 1 763 . 1 . 1 81 81 GLU CB C 13 28.150 0.3 . 1 . . . . . 148 GLU CB . 51790 1 764 . 1 . 1 81 81 GLU N N 15 120.461 0.3 . 1 . . . . . 148 GLU N . 51790 1 765 . 1 . 1 82 82 GLN H H 1 7.998 0.020 . 1 . . . . . 149 GLN H . 51790 1 766 . 1 . 1 82 82 GLN HA H 1 4.063 0.020 . 1 . . . . . 149 GLN HA . 51790 1 767 . 1 . 1 82 82 GLN HB2 H 1 2.080 0.020 . 1 . . . . . 149 GLN HB2 . 51790 1 768 . 1 . 1 82 82 GLN HG2 H 1 2.307 0.020 . 1 . . . . . 149 GLN HG2 . 51790 1 769 . 1 . 1 82 82 GLN C C 13 178.683 0.3 . 1 . . . . . 149 GLN C . 51790 1 770 . 1 . 1 82 82 GLN CA C 13 58.535 0.3 . 1 . . . . . 149 GLN CA . 51790 1 771 . 1 . 1 82 82 GLN CB C 13 28.044 0.3 . 1 . . . . . 149 GLN CB . 51790 1 772 . 1 . 1 82 82 GLN N N 15 116.747 0.3 . 1 . . . . . 149 GLN N . 51790 1 773 . 1 . 1 83 83 ALA H H 1 7.359 0.020 . 1 . . . . . 150 ALA H . 51790 1 774 . 1 . 1 83 83 ALA HB1 H 1 1.277 0.020 . 1 . . . . . 150 ALA HB . 51790 1 775 . 1 . 1 83 83 ALA HB2 H 1 1.277 0.020 . 1 . . . . . 150 ALA HB . 51790 1 776 . 1 . 1 83 83 ALA HB3 H 1 1.277 0.020 . 1 . . . . . 150 ALA HB . 51790 1 777 . 1 . 1 83 83 ALA C C 13 178.399 0.3 . 1 . . . . . 150 ALA C . 51790 1 778 . 1 . 1 83 83 ALA CA C 13 54.810 0.3 . 1 . . . . . 150 ALA CA . 51790 1 779 . 1 . 1 83 83 ALA CB C 13 15.598 0.3 . 1 . . . . . 150 ALA CB . 51790 1 780 . 1 . 1 83 83 ALA N N 15 125.359 0.3 . 1 . . . . . 150 ALA N . 51790 1 781 . 1 . 1 84 84 ALA H H 1 8.055 0.020 . 1 . . . . . 151 ALA H . 51790 1 782 . 1 . 1 84 84 ALA HA H 1 4.315 0.020 . 1 . . . . . 151 ALA HA . 51790 1 783 . 1 . 1 84 84 ALA HB1 H 1 1.495 0.020 . 1 . . . . . 151 ALA HB . 51790 1 784 . 1 . 1 84 84 ALA HB2 H 1 1.495 0.020 . 1 . . . . . 151 ALA HB . 51790 1 785 . 1 . 1 84 84 ALA HB3 H 1 1.495 0.020 . 1 . . . . . 151 ALA HB . 51790 1 786 . 1 . 1 84 84 ALA C C 13 179.351 0.3 . 1 . . . . . 151 ALA C . 51790 1 787 . 1 . 1 84 84 ALA CA C 13 54.662 0.3 . 1 . . . . . 151 ALA CA . 51790 1 788 . 1 . 1 84 84 ALA CB C 13 15.661 0.3 . 1 . . . . . 151 ALA CB . 51790 1 789 . 1 . 1 84 84 ALA N N 15 120.782 0.3 . 1 . . . . . 151 ALA N . 51790 1 790 . 1 . 1 85 85 GLU H H 1 8.298 0.020 . 1 . . . . . 152 GLU H . 51790 1 791 . 1 . 1 85 85 GLU HA H 1 3.721 0.020 . 1 . . . . . 152 GLU HA . 51790 1 792 . 1 . 1 85 85 GLU HB2 H 1 2.205 0.020 . 2 . . . . . 152 GLU HB2 . 51790 1 793 . 1 . 1 85 85 GLU HB3 H 1 2.223 0.020 . 2 . . . . . 152 GLU HB3 . 51790 1 794 . 1 . 1 85 85 GLU HG2 H 1 2.557 0.020 . 2 . . . . . 152 GLU HG2 . 51790 1 795 . 1 . 1 85 85 GLU HG3 H 1 2.531 0.020 . 2 . . . . . 152 GLU HG3 . 51790 1 796 . 1 . 1 85 85 GLU C C 13 179.243 0.3 . 1 . . . . . 152 GLU C . 51790 1 797 . 1 . 1 85 85 GLU CA C 13 59.135 0.3 . 1 . . . . . 152 GLU CA . 51790 1 798 . 1 . 1 85 85 GLU CB C 13 28.648 0.3 . 1 . . . . . 152 GLU CB . 51790 1 799 . 1 . 1 85 85 GLU CG C 13 35.855 0.3 . 1 . . . . . 152 GLU CG . 51790 1 800 . 1 . 1 85 85 GLU N N 15 119.783 0.3 . 1 . . . . . 152 GLU N . 51790 1 801 . 1 . 1 86 86 ALA H H 1 7.252 0.020 . 1 . . . . . 153 ALA H . 51790 1 802 . 1 . 1 86 86 ALA HB1 H 1 1.184 0.020 . 1 . . . . . 153 ALA HB . 51790 1 803 . 1 . 1 86 86 ALA HB2 H 1 1.184 0.020 . 1 . . . . . 153 ALA HB . 51790 1 804 . 1 . 1 86 86 ALA HB3 H 1 1.184 0.020 . 1 . . . . . 153 ALA HB . 51790 1 805 . 1 . 1 86 86 ALA C C 13 178.360 0.3 . 1 . . . . . 153 ALA C . 51790 1 806 . 1 . 1 86 86 ALA CA C 13 54.303 0.3 . 1 . . . . . 153 ALA CA . 51790 1 807 . 1 . 1 86 86 ALA CB C 13 17.314 0.3 . 1 . . . . . 153 ALA CB . 51790 1 808 . 1 . 1 86 86 ALA N N 15 124.961 0.3 . 1 . . . . . 153 ALA N . 51790 1 809 . 1 . 1 87 87 ALA H H 1 7.318 0.020 . 1 . . . . . 154 ALA H . 51790 1 810 . 1 . 1 87 87 ALA HA H 1 4.279 0.020 . 1 . . . . . 154 ALA HA . 51790 1 811 . 1 . 1 87 87 ALA HB1 H 1 1.310 0.020 . 1 . . . . . 154 ALA HB . 51790 1 812 . 1 . 1 87 87 ALA HB2 H 1 1.310 0.020 . 1 . . . . . 154 ALA HB . 51790 1 813 . 1 . 1 87 87 ALA HB3 H 1 1.310 0.020 . 1 . . . . . 154 ALA HB . 51790 1 814 . 1 . 1 87 87 ALA C C 13 179.569 0.3 . 1 . . . . . 154 ALA C . 51790 1 815 . 1 . 1 87 87 ALA CA C 13 55.130 0.3 . 1 . . . . . 154 ALA CA . 51790 1 816 . 1 . 1 87 87 ALA CB C 13 17.760 0.3 . 1 . . . . . 154 ALA CB . 51790 1 817 . 1 . 1 87 87 ALA N N 15 121.443 0.3 . 1 . . . . . 154 ALA N . 51790 1 818 . 1 . 1 88 88 LEU H H 1 8.402 0.020 . 1 . . . . . 155 LEU H . 51790 1 819 . 1 . 1 88 88 LEU HA H 1 3.789 0.020 . 1 . . . . . 155 LEU HA . 51790 1 820 . 1 . 1 88 88 LEU HB3 H 1 1.338 0.020 . 1 . . . . . 155 LEU HB3 . 51790 1 821 . 1 . 1 88 88 LEU HD11 H 1 0.687 0.020 . 1 . . . . . 155 LEU HD1 . 51790 1 822 . 1 . 1 88 88 LEU HD12 H 1 0.687 0.020 . 1 . . . . . 155 LEU HD1 . 51790 1 823 . 1 . 1 88 88 LEU HD13 H 1 0.687 0.020 . 1 . . . . . 155 LEU HD1 . 51790 1 824 . 1 . 1 88 88 LEU C C 13 179.078 0.3 . 1 . . . . . 155 LEU C . 51790 1 825 . 1 . 1 88 88 LEU CA C 13 57.228 0.3 . 1 . . . . . 155 LEU CA . 51790 1 826 . 1 . 1 88 88 LEU CB C 13 40.474 0.3 . 1 . . . . . 155 LEU CB . 51790 1 827 . 1 . 1 88 88 LEU CD1 C 13 25.468 0.3 . 1 . . . . . 155 LEU CD1 . 51790 1 828 . 1 . 1 88 88 LEU CD2 C 13 25.335 0.3 . 1 . . . . . 155 LEU CD2 . 51790 1 829 . 1 . 1 88 88 LEU N N 15 118.426 0.3 . 1 . . . . . 155 LEU N . 51790 1 830 . 1 . 1 89 89 TRP H H 1 8.007 0.020 . 1 . . . . . 156 TRP H . 51790 1 831 . 1 . 1 89 89 TRP HB2 H 1 3.087 0.020 . 2 . . . . . 156 TRP HB2 . 51790 1 832 . 1 . 1 89 89 TRP HB3 H 1 2.942 0.020 . 2 . . . . . 156 TRP HB3 . 51790 1 833 . 1 . 1 89 89 TRP HD1 H 1 7.289 0.020 . 1 . . . . . 156 TRP HD1 . 51790 1 834 . 1 . 1 89 89 TRP C C 13 178.531 0.3 . 1 . . . . . 156 TRP C . 51790 1 835 . 1 . 1 89 89 TRP CA C 13 60.795 0.3 . 1 . . . . . 156 TRP CA . 51790 1 836 . 1 . 1 89 89 TRP CB C 13 27.321 0.3 . 1 . . . . . 156 TRP CB . 51790 1 837 . 1 . 1 89 89 TRP N N 15 123.394 0.3 . 1 . . . . . 156 TRP N . 51790 1 838 . 1 . 1 90 90 TYR H H 1 8.195 0.020 . 1 . . . . . 157 TYR H . 51790 1 839 . 1 . 1 90 90 TYR C C 13 176.536 0.3 . 1 . . . . . 157 TYR C . 51790 1 840 . 1 . 1 90 90 TYR CA C 13 62.612 0.3 . 1 . . . . . 157 TYR CA . 51790 1 841 . 1 . 1 90 90 TYR CB C 13 37.429 0.3 . 1 . . . . . 157 TYR CB . 51790 1 842 . 1 . 1 90 90 TYR N N 15 124.188 0.3 . 1 . . . . . 157 TYR N . 51790 1 843 . 1 . 1 91 91 LEU H H 1 8.374 0.020 . 1 . . . . . 158 LEU H . 51790 1 844 . 1 . 1 91 91 LEU HA H 1 4.614 0.020 . 1 . . . . . 158 LEU HA . 51790 1 845 . 1 . 1 91 91 LEU HG H 1 1.025 0.020 . 1 . . . . . 158 LEU HG . 51790 1 846 . 1 . 1 91 91 LEU HD11 H 1 0.793 0.020 . 1 . . . . . 158 LEU HD1 . 51790 1 847 . 1 . 1 91 91 LEU HD12 H 1 0.793 0.020 . 1 . . . . . 158 LEU HD1 . 51790 1 848 . 1 . 1 91 91 LEU HD13 H 1 0.793 0.020 . 1 . . . . . 158 LEU HD1 . 51790 1 849 . 1 . 1 91 91 LEU C C 13 178.723 0.3 . 1 . . . . . 158 LEU C . 51790 1 850 . 1 . 1 91 91 LEU CA C 13 56.705 0.3 . 1 . . . . . 158 LEU CA . 51790 1 851 . 1 . 1 91 91 LEU CB C 13 39.601 0.3 . 1 . . . . . 158 LEU CB . 51790 1 852 . 1 . 1 91 91 LEU CG C 13 25.786 0.3 . 1 . . . . . 158 LEU CG . 51790 1 853 . 1 . 1 91 91 LEU CD1 C 13 25.501 0.3 . 1 . . . . . 158 LEU CD1 . 51790 1 854 . 1 . 1 91 91 LEU N N 15 118.717 0.3 . 1 . . . . . 158 LEU N . 51790 1 855 . 1 . 1 92 92 LYS H H 1 8.187 0.020 . 1 . . . . . 159 LYS H . 51790 1 856 . 1 . 1 92 92 LYS HB2 H 1 1.712 0.020 . 1 . . . . . 159 LYS HB2 . 51790 1 857 . 1 . 1 92 92 LYS HG2 H 1 1.146 0.020 . 1 . . . . . 159 LYS HG2 . 51790 1 858 . 1 . 1 92 92 LYS HD2 H 1 1.623 0.020 . 1 . . . . . 159 LYS HD2 . 51790 1 859 . 1 . 1 92 92 LYS HE2 H 1 2.782 0.020 . 1 . . . . . 159 LYS HE2 . 51790 1 860 . 1 . 1 92 92 LYS C C 13 179.866 0.3 . 1 . . . . . 159 LYS C . 51790 1 861 . 1 . 1 92 92 LYS CA C 13 58.209 0.3 . 1 . . . . . 159 LYS CA . 51790 1 862 . 1 . 1 92 92 LYS CB C 13 30.732 0.3 . 1 . . . . . 159 LYS CB . 51790 1 863 . 1 . 1 92 92 LYS CG C 13 23.629 0.3 . 1 . . . . . 159 LYS CG . 51790 1 864 . 1 . 1 92 92 LYS CD C 13 28.430 0.3 . 1 . . . . . 159 LYS CD . 51790 1 865 . 1 . 1 92 92 LYS N N 15 120.368 0.3 . 1 . . . . . 159 LYS N . 51790 1 866 . 1 . 1 93 93 ASN H H 1 7.121 0.020 . 1 . . . . . 160 ASN H . 51790 1 867 . 1 . 1 93 93 ASN C C 13 176.075 0.3 . 1 . . . . . 160 ASN C . 51790 1 868 . 1 . 1 93 93 ASN CA C 13 55.250 0.3 . 1 . . . . . 160 ASN CA . 51790 1 869 . 1 . 1 93 93 ASN CB C 13 37.945 0.3 . 1 . . . . . 160 ASN CB . 51790 1 870 . 1 . 1 93 93 ASN N N 15 119.779 0.3 . 1 . . . . . 160 ASN N . 51790 1 871 . 1 . 1 94 94 VAL H H 1 7.244 0.020 . 1 . . . . . 161 VAL H . 51790 1 872 . 1 . 1 94 94 VAL HG11 H 1 0.619 0.020 . 2 . . . . . 161 VAL HG1 . 51790 1 873 . 1 . 1 94 94 VAL HG12 H 1 0.619 0.020 . 2 . . . . . 161 VAL HG1 . 51790 1 874 . 1 . 1 94 94 VAL HG13 H 1 0.619 0.020 . 2 . . . . . 161 VAL HG1 . 51790 1 875 . 1 . 1 94 94 VAL HG21 H 1 0.541 0.020 . 2 . . . . . 161 VAL HG2 . 51790 1 876 . 1 . 1 94 94 VAL HG22 H 1 0.541 0.020 . 2 . . . . . 161 VAL HG2 . 51790 1 877 . 1 . 1 94 94 VAL HG23 H 1 0.541 0.020 . 2 . . . . . 161 VAL HG2 . 51790 1 878 . 1 . 1 94 94 VAL C C 13 175.922 0.3 . 1 . . . . . 161 VAL C . 51790 1 879 . 1 . 1 94 94 VAL CA C 13 60.895 0.3 . 1 . . . . . 161 VAL CA . 51790 1 880 . 1 . 1 94 94 VAL CB C 13 29.550 0.3 . 1 . . . . . 161 VAL CB . 51790 1 881 . 1 . 1 94 94 VAL CG1 C 13 18.718 0.3 . 1 . . . . . 161 VAL CG1 . 51790 1 882 . 1 . 1 94 94 VAL CG2 C 13 19.490 0.3 . 1 . . . . . 161 VAL CG2 . 51790 1 883 . 1 . 1 94 94 VAL N N 15 113.470 0.3 . 1 . . . . . 161 VAL N . 51790 1 884 . 1 . 1 95 95 GLY H H 1 7.179 0.020 . 1 . . . . . 162 GLY H . 51790 1 885 . 1 . 1 95 95 GLY HA2 H 1 3.942 0.020 . 2 . . . . . 162 GLY HA2 . 51790 1 886 . 1 . 1 95 95 GLY HA3 H 1 3.625 0.020 . 2 . . . . . 162 GLY HA3 . 51790 1 887 . 1 . 1 95 95 GLY C C 13 174.537 0.3 . 1 . . . . . 162 GLY C . 51790 1 888 . 1 . 1 95 95 GLY CA C 13 45.246 0.3 . 1 . . . . . 162 GLY CA . 51790 1 889 . 1 . 1 95 95 GLY N N 15 109.596 0.3 . 1 . . . . . 162 GLY N . 51790 1 stop_ save_