data_30590 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30590 _Entry.Title ; Structure of WHB in complex with Ubiquitin Variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-19 _Entry.Accession_date 2019-03-19 _Entry.Last_release_date 2019-08-07 _Entry.Original_release_date 2019-08-07 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30590 stop_ 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 R. Edmond R. W. . . 30590 2 C. Grace C. R. . . 30590 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 30590 Ubiquitin . 30590 WHB . 30590 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30590 spectral_peak_list 1 30590 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 758 30590 '15N chemical shifts' 221 30590 '1H chemical shifts' 1316 30590 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 . . 2021-10-19 2019-03-19 update BMRB 'update entry citation' 30590 1 . . 2019-08-07 2019-03-19 original author 'original release' 30590 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6OB1 . 30590 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30590 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31350353 _Citation.DOI 10.1073/pnas.1902889116 _Citation.Full_citation . _Citation.Title ; Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. USA' _Citation.Journal_name_full . _Citation.Journal_volume 116 _Citation.Journal_issue 35 _Citation.Journal_ASTM PNASA6 _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0040 _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 17280 _Citation.Page_last 17289 _Citation.Year 2019 _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 E. Watson E. R. . . 30590 1 2 C. Grace C. R.R. . . 30590 1 3 W. Zhang W. . . . 30590 1 4 D. Miller D. J. . . 30590 1 5 I. Davidson I. F. . . 30590 1 6 J. Prabu J. R. . . 30590 1 7 S. Yu S. . . . 30590 1 8 D. Bolhuis D. L. . . 30590 1 9 E. Kulko E. T. . . 30590 1 10 R. Vollrath R. . . . 30590 1 11 D. Haselbach D. . . . 30590 1 12 H. Stark H. . . . 30590 1 13 J. Peters J. M. . . 30590 1 14 N. Brown N. G. . . 30590 1 15 S. Sidhu S. S. . . 30590 1 16 B. Schulman B. A. . . 30590 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30590 _Assembly.ID 1 _Assembly.Name 'Uncharacterized protein, Polyubiquitin-B, Anaphase-promoting complex subunit 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 entity_1 1 $entity_1 A A yes . . . . . . 30590 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30590 1 3 entity_3 3 $entity_3 C C yes . . . . . . 30590 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30590 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMQIFVDTVQWKTITLEVEP SDTIENVKAKIQDKEGIPPD QQRLIFAGKQLEDGRTLSDY NIQKESALILLLTLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8550.763 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 30590 1 2 . MET . 30590 1 3 . GLN . 30590 1 4 . ILE . 30590 1 5 . PHE . 30590 1 6 . VAL . 30590 1 7 . ASP . 30590 1 8 . THR . 30590 1 9 . VAL . 30590 1 10 . GLN . 30590 1 11 . TRP . 30590 1 12 . LYS . 30590 1 13 . THR . 30590 1 14 . ILE . 30590 1 15 . THR . 30590 1 16 . LEU . 30590 1 17 . GLU . 30590 1 18 . VAL . 30590 1 19 . GLU . 30590 1 20 . PRO . 30590 1 21 . SER . 30590 1 22 . ASP . 30590 1 23 . THR . 30590 1 24 . ILE . 30590 1 25 . GLU . 30590 1 26 . ASN . 30590 1 27 . VAL . 30590 1 28 . LYS . 30590 1 29 . ALA . 30590 1 30 . LYS . 30590 1 31 . ILE . 30590 1 32 . GLN . 30590 1 33 . ASP . 30590 1 34 . LYS . 30590 1 35 . GLU . 30590 1 36 . GLY . 30590 1 37 . ILE . 30590 1 38 . PRO . 30590 1 39 . PRO . 30590 1 40 . ASP . 30590 1 41 . GLN . 30590 1 42 . GLN . 30590 1 43 . ARG . 30590 1 44 . LEU . 30590 1 45 . ILE . 30590 1 46 . PHE . 30590 1 47 . ALA . 30590 1 48 . GLY . 30590 1 49 . LYS . 30590 1 50 . GLN . 30590 1 51 . LEU . 30590 1 52 . GLU . 30590 1 53 . ASP . 30590 1 54 . GLY . 30590 1 55 . ARG . 30590 1 56 . THR . 30590 1 57 . LEU . 30590 1 58 . SER . 30590 1 59 . ASP . 30590 1 60 . TYR . 30590 1 61 . ASN . 30590 1 62 . ILE . 30590 1 63 . GLN . 30590 1 64 . LYS . 30590 1 65 . GLU . 30590 1 66 . SER . 30590 1 67 . ALA . 30590 1 68 . LEU . 30590 1 69 . ILE . 30590 1 70 . LEU . 30590 1 71 . LEU . 30590 1 72 . LEU . 30590 1 73 . THR . 30590 1 74 . LEU . 30590 1 75 . ARG . 30590 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 30590 1 . MET 2 2 30590 1 . GLN 3 3 30590 1 . ILE 4 4 30590 1 . PHE 5 5 30590 1 . VAL 6 6 30590 1 . ASP 7 7 30590 1 . THR 8 8 30590 1 . VAL 9 9 30590 1 . GLN 10 10 30590 1 . TRP 11 11 30590 1 . LYS 12 12 30590 1 . THR 13 13 30590 1 . ILE 14 14 30590 1 . THR 15 15 30590 1 . LEU 16 16 30590 1 . GLU 17 17 30590 1 . VAL 18 18 30590 1 . GLU 19 19 30590 1 . PRO 20 20 30590 1 . SER 21 21 30590 1 . ASP 22 22 30590 1 . THR 23 23 30590 1 . ILE 24 24 30590 1 . GLU 25 25 30590 1 . ASN 26 26 30590 1 . VAL 27 27 30590 1 . LYS 28 28 30590 1 . ALA 29 29 30590 1 . LYS 30 30 30590 1 . ILE 31 31 30590 1 . GLN 32 32 30590 1 . ASP 33 33 30590 1 . LYS 34 34 30590 1 . GLU 35 35 30590 1 . GLY 36 36 30590 1 . ILE 37 37 30590 1 . PRO 38 38 30590 1 . PRO 39 39 30590 1 . ASP 40 40 30590 1 . GLN 41 41 30590 1 . GLN 42 42 30590 1 . ARG 43 43 30590 1 . LEU 44 44 30590 1 . ILE 45 45 30590 1 . PHE 46 46 30590 1 . ALA 47 47 30590 1 . GLY 48 48 30590 1 . LYS 49 49 30590 1 . GLN 50 50 30590 1 . LEU 51 51 30590 1 . GLU 52 52 30590 1 . ASP 53 53 30590 1 . GLY 54 54 30590 1 . ARG 55 55 30590 1 . THR 56 56 30590 1 . LEU 57 57 30590 1 . SER 58 58 30590 1 . ASP 59 59 30590 1 . TYR 60 60 30590 1 . ASN 61 61 30590 1 . ILE 62 62 30590 1 . GLN 63 63 30590 1 . LYS 64 64 30590 1 . GLU 65 65 30590 1 . SER 66 66 30590 1 . ALA 67 67 30590 1 . LEU 68 68 30590 1 . ILE 69 69 30590 1 . LEU 70 70 30590 1 . LEU 71 71 30590 1 . LEU 72 72 30590 1 . THR 73 73 30590 1 . LEU 74 74 30590 1 . ARG 75 75 30590 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30590 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMQIFVDTVQWKTITLEVEP SDTIENVKAKIQDKEGIPPD QQRLDFAGKQLEDGRTLSDY NIQKESALILLLTLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8552.692 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 30590 2 2 . MET . 30590 2 3 . GLN . 30590 2 4 . ILE . 30590 2 5 . PHE . 30590 2 6 . VAL . 30590 2 7 . ASP . 30590 2 8 . THR . 30590 2 9 . VAL . 30590 2 10 . GLN . 30590 2 11 . TRP . 30590 2 12 . LYS . 30590 2 13 . THR . 30590 2 14 . ILE . 30590 2 15 . THR . 30590 2 16 . LEU . 30590 2 17 . GLU . 30590 2 18 . VAL . 30590 2 19 . GLU . 30590 2 20 . PRO . 30590 2 21 . SER . 30590 2 22 . ASP . 30590 2 23 . THR . 30590 2 24 . ILE . 30590 2 25 . GLU . 30590 2 26 . ASN . 30590 2 27 . VAL . 30590 2 28 . LYS . 30590 2 29 . ALA . 30590 2 30 . LYS . 30590 2 31 . ILE . 30590 2 32 . GLN . 30590 2 33 . ASP . 30590 2 34 . LYS . 30590 2 35 . GLU . 30590 2 36 . GLY . 30590 2 37 . ILE . 30590 2 38 . PRO . 30590 2 39 . PRO . 30590 2 40 . ASP . 30590 2 41 . GLN . 30590 2 42 . GLN . 30590 2 43 . ARG . 30590 2 44 . LEU . 30590 2 45 . ASP . 30590 2 46 . PHE . 30590 2 47 . ALA . 30590 2 48 . GLY . 30590 2 49 . LYS . 30590 2 50 . GLN . 30590 2 51 . LEU . 30590 2 52 . GLU . 30590 2 53 . ASP . 30590 2 54 . GLY . 30590 2 55 . ARG . 30590 2 56 . THR . 30590 2 57 . LEU . 30590 2 58 . SER . 30590 2 59 . ASP . 30590 2 60 . TYR . 30590 2 61 . ASN . 30590 2 62 . ILE . 30590 2 63 . GLN . 30590 2 64 . LYS . 30590 2 65 . GLU . 30590 2 66 . SER . 30590 2 67 . ALA . 30590 2 68 . LEU . 30590 2 69 . ILE . 30590 2 70 . LEU . 30590 2 71 . LEU . 30590 2 72 . LEU . 30590 2 73 . THR . 30590 2 74 . LEU . 30590 2 75 . ARG . 30590 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 . GLY 1 1 30590 2 . MET 2 2 30590 2 . GLN 3 3 30590 2 . ILE 4 4 30590 2 . PHE 5 5 30590 2 . VAL 6 6 30590 2 . ASP 7 7 30590 2 . THR 8 8 30590 2 . VAL 9 9 30590 2 . GLN 10 10 30590 2 . TRP 11 11 30590 2 . LYS 12 12 30590 2 . THR 13 13 30590 2 . ILE 14 14 30590 2 . THR 15 15 30590 2 . LEU 16 16 30590 2 . GLU 17 17 30590 2 . VAL 18 18 30590 2 . GLU 19 19 30590 2 . PRO 20 20 30590 2 . SER 21 21 30590 2 . ASP 22 22 30590 2 . THR 23 23 30590 2 . ILE 24 24 30590 2 . GLU 25 25 30590 2 . ASN 26 26 30590 2 . VAL 27 27 30590 2 . LYS 28 28 30590 2 . ALA 29 29 30590 2 . LYS 30 30 30590 2 . ILE 31 31 30590 2 . GLN 32 32 30590 2 . ASP 33 33 30590 2 . LYS 34 34 30590 2 . GLU 35 35 30590 2 . GLY 36 36 30590 2 . ILE 37 37 30590 2 . PRO 38 38 30590 2 . PRO 39 39 30590 2 . ASP 40 40 30590 2 . GLN 41 41 30590 2 . GLN 42 42 30590 2 . ARG 43 43 30590 2 . LEU 44 44 30590 2 . ASP 45 45 30590 2 . PHE 46 46 30590 2 . ALA 47 47 30590 2 . GLY 48 48 30590 2 . LYS 49 49 30590 2 . GLN 50 50 30590 2 . LEU 51 51 30590 2 . GLU 52 52 30590 2 . ASP 53 53 30590 2 . GLY 54 54 30590 2 . ARG 55 55 30590 2 . THR 56 56 30590 2 . LEU 57 57 30590 2 . SER 58 58 30590 2 . ASP 59 59 30590 2 . TYR 60 60 30590 2 . ASN 61 61 30590 2 . ILE 62 62 30590 2 . GLN 63 63 30590 2 . LYS 64 64 30590 2 . GLU 65 65 30590 2 . SER 66 66 30590 2 . ALA 67 67 30590 2 . LEU 68 68 30590 2 . ILE 69 69 30590 2 . LEU 70 70 30590 2 . LEU 71 71 30590 2 . LEU 72 72 30590 2 . THR 73 73 30590 2 . LEU 74 74 30590 2 . ARG 75 75 30590 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 30590 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSESDSGMASQADQKEEELL LFWTYIQAMLTNLESLSLDR IYNMLRMFVVTGPALAEIDL QELQGYLQKKVRDQQLVYSA GVYRLPKNCS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10259.662 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID APC2 na 30590 3 'Cyclosome subunit 2' na 30590 3 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 . GLY . 30590 3 2 . SER . 30590 3 3 . GLU . 30590 3 4 . SER . 30590 3 5 . ASP . 30590 3 6 . SER . 30590 3 7 . GLY . 30590 3 8 . MET . 30590 3 9 . ALA . 30590 3 10 . SER . 30590 3 11 . GLN . 30590 3 12 . ALA . 30590 3 13 . ASP . 30590 3 14 . GLN . 30590 3 15 . LYS . 30590 3 16 . GLU . 30590 3 17 . GLU . 30590 3 18 . GLU . 30590 3 19 . LEU . 30590 3 20 . LEU . 30590 3 21 . LEU . 30590 3 22 . PHE . 30590 3 23 . TRP . 30590 3 24 . THR . 30590 3 25 . TYR . 30590 3 26 . ILE . 30590 3 27 . GLN . 30590 3 28 . ALA . 30590 3 29 . MET . 30590 3 30 . LEU . 30590 3 31 . THR . 30590 3 32 . ASN . 30590 3 33 . LEU . 30590 3 34 . GLU . 30590 3 35 . SER . 30590 3 36 . LEU . 30590 3 37 . SER . 30590 3 38 . LEU . 30590 3 39 . ASP . 30590 3 40 . ARG . 30590 3 41 . ILE . 30590 3 42 . TYR . 30590 3 43 . ASN . 30590 3 44 . MET . 30590 3 45 . LEU . 30590 3 46 . ARG . 30590 3 47 . MET . 30590 3 48 . PHE . 30590 3 49 . VAL . 30590 3 50 . VAL . 30590 3 51 . THR . 30590 3 52 . GLY . 30590 3 53 . PRO . 30590 3 54 . ALA . 30590 3 55 . LEU . 30590 3 56 . ALA . 30590 3 57 . GLU . 30590 3 58 . ILE . 30590 3 59 . ASP . 30590 3 60 . LEU . 30590 3 61 . GLN . 30590 3 62 . GLU . 30590 3 63 . LEU . 30590 3 64 . GLN . 30590 3 65 . GLY . 30590 3 66 . TYR . 30590 3 67 . LEU . 30590 3 68 . GLN . 30590 3 69 . LYS . 30590 3 70 . LYS . 30590 3 71 . VAL . 30590 3 72 . ARG . 30590 3 73 . ASP . 30590 3 74 . GLN . 30590 3 75 . GLN . 30590 3 76 . LEU . 30590 3 77 . VAL . 30590 3 78 . TYR . 30590 3 79 . SER . 30590 3 80 . ALA . 30590 3 81 . GLY . 30590 3 82 . VAL . 30590 3 83 . TYR . 30590 3 84 . ARG . 30590 3 85 . LEU . 30590 3 86 . PRO . 30590 3 87 . LYS . 30590 3 88 . ASN . 30590 3 89 . CYS . 30590 3 90 . SER . 30590 3 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 30590 3 . SER 2 2 30590 3 . GLU 3 3 30590 3 . SER 4 4 30590 3 . ASP 5 5 30590 3 . SER 6 6 30590 3 . GLY 7 7 30590 3 . MET 8 8 30590 3 . ALA 9 9 30590 3 . SER 10 10 30590 3 . GLN 11 11 30590 3 . ALA 12 12 30590 3 . ASP 13 13 30590 3 . GLN 14 14 30590 3 . LYS 15 15 30590 3 . GLU 16 16 30590 3 . GLU 17 17 30590 3 . GLU 18 18 30590 3 . LEU 19 19 30590 3 . LEU 20 20 30590 3 . LEU 21 21 30590 3 . PHE 22 22 30590 3 . TRP 23 23 30590 3 . THR 24 24 30590 3 . TYR 25 25 30590 3 . ILE 26 26 30590 3 . GLN 27 27 30590 3 . ALA 28 28 30590 3 . MET 29 29 30590 3 . LEU 30 30 30590 3 . THR 31 31 30590 3 . ASN 32 32 30590 3 . LEU 33 33 30590 3 . GLU 34 34 30590 3 . SER 35 35 30590 3 . LEU 36 36 30590 3 . SER 37 37 30590 3 . LEU 38 38 30590 3 . ASP 39 39 30590 3 . ARG 40 40 30590 3 . ILE 41 41 30590 3 . TYR 42 42 30590 3 . ASN 43 43 30590 3 . MET 44 44 30590 3 . LEU 45 45 30590 3 . ARG 46 46 30590 3 . MET 47 47 30590 3 . PHE 48 48 30590 3 . VAL 49 49 30590 3 . VAL 50 50 30590 3 . THR 51 51 30590 3 . GLY 52 52 30590 3 . PRO 53 53 30590 3 . ALA 54 54 30590 3 . LEU 55 55 30590 3 . ALA 56 56 30590 3 . GLU 57 57 30590 3 . ILE 58 58 30590 3 . ASP 59 59 30590 3 . LEU 60 60 30590 3 . GLN 61 61 30590 3 . GLU 62 62 30590 3 . LEU 63 63 30590 3 . GLN 64 64 30590 3 . GLY 65 65 30590 3 . TYR 66 66 30590 3 . LEU 67 67 30590 3 . GLN 68 68 30590 3 . LYS 69 69 30590 3 . LYS 70 70 30590 3 . VAL 71 71 30590 3 . ARG 72 72 30590 3 . ASP 73 73 30590 3 . GLN 74 74 30590 3 . GLN 75 75 30590 3 . LEU 76 76 30590 3 . VAL 77 77 30590 3 . TYR 78 78 30590 3 . SER 79 79 30590 3 . ALA 80 80 30590 3 . GLY 81 81 30590 3 . VAL 82 82 30590 3 . TYR 83 83 30590 3 . ARG 84 84 30590 3 . LEU 85 85 30590 3 . PRO 86 86 30590 3 . LYS 87 87 30590 3 . ASN 88 88 30590 3 . CYS 89 89 30590 3 . SER 90 90 30590 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30590 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 30590 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 30590 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'ANAPC2, APC2, KIAA1406' . 30590 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30590 _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-Pichia pastoris shuttle vector pPpARG4' . . 1182032 . . . . . . . . . . . . 30590 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli-Pichia pastoris shuttle vector pPpARG4' . . 1182032 . . . . . . . . . . . . 30590 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli-Pichia pastoris shuttle vector pPpARG4' . . 1182032 . . . . . . . . . . . . 30590 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30590 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 13C; U-99% 15N] WHB, 0.6 mM Ubiquitin Variant, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30590 1 2 entity_2 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 30590 1 3 entity_3 '[U-99% 13C; U-99% 15N]' . . 3 $entity_3 . . 0.5 . . mM . . . . 30590 1 4 'Ubiquitin Variant' 'natural abundance' . . . . . . 0.6 . . mM . . . . 30590 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30590 1 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 30590 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 30590 1 pH 7 . pH 30590 1 pressure 1 . atm 30590 1 temperature 308 . K 30590 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30590 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30590 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30590 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30590 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30590 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30590 2 'peak picking' . 30590 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30590 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30590 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30590 3 'structure calculation' . 30590 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30590 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30590 4 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 30590 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30590 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30590 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30590 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 30590 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 30590 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 800 . . . 30590 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30590 _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 HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30590 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30590 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 7 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 11 '3D 1H-13C filtered NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 16 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 17 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 18 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30590 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 20 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 21 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 22 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30590 1 23 '3D 1H-13C filtered NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30590 1 stop_ 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 30590 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 indirect na . . . . Hz -6.625 external indirect 0.25 . . . . . 30590 1 H 1 DSS protons . . . . Hz -26.5 external direct 0 . . . . . 30590 1 N 15 indirect na . . . . Hz 0.265 external indirect -0.1 . . . . . 30590 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 30590 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 . _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 HSQC' . . . 30590 1 2 '2D 1H-13C HSQC aliphatic' . . . 30590 1 3 '2D 1H-13C HSQC aromatic' . . . 30590 1 4 '3D CBCA(CO)NH' . . . 30590 1 5 '3D HNCACB' . . . 30590 1 6 '3D HCCH-TOCSY' . . . 30590 1 7 '3D HNCA' . . . 30590 1 8 '3D 1H-15N NOESY' . . . 30590 1 9 '3D 1H-13C NOESY aliphatic' . . . 30590 1 10 '3D 1H-13C NOESY aromatic' . . . 30590 1 11 '3D 1H-13C filtered NOESY' . . . 30590 1 12 '3D HBHA(CO)NH' . . . 30590 1 13 '2D 1H-15N HSQC' . . . 30590 1 14 '2D 1H-13C HSQC aliphatic' . . . 30590 1 15 '2D 1H-13C HSQC aromatic' . . . 30590 1 16 '3D HNCACB' . . . 30590 1 17 '3D HNCA' . . . 30590 1 18 '3D HBHA(CO)NH' . . . 30590 1 19 '3D 1H-15N NOESY' . . . 30590 1 20 '3D 1H-13C NOESY aliphatic' . . . 30590 1 21 '3D 1H-13C NOESY aromatic' . . . 30590 1 22 '3D H(CCO)NH' . . . 30590 1 23 '3D 1H-13C filtered NOESY' . . . 30590 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 2 2 MET H H 1 8.962 0.020 . 1 . . . . A 1 MET H . 30590 1 2 . 1 . 1 2 2 MET HA H 1 4.679 0.020 . 1 . . . . A 1 MET HA . 30590 1 3 . 1 . 1 2 2 MET HB2 H 1 1.923 0.020 . 2 . . . . A 1 MET HB2 . 30590 1 4 . 1 . 1 2 2 MET HB3 H 1 2.146 0.020 . 2 . . . . A 1 MET HB3 . 30590 1 5 . 1 . 1 2 2 MET HG2 H 1 2.216 0.020 . 2 . . . . A 1 MET HG2 . 30590 1 6 . 1 . 1 2 2 MET HG3 H 1 2.385 0.020 . 2 . . . . A 1 MET HG3 . 30590 1 7 . 1 . 1 2 2 MET HE1 H 1 1.752 0.020 . 1 . . . . A 1 MET HE1 . 30590 1 8 . 1 . 1 2 2 MET HE2 H 1 1.752 0.020 . 1 . . . . A 1 MET HE2 . 30590 1 9 . 1 . 1 2 2 MET HE3 H 1 1.752 0.020 . 1 . . . . A 1 MET HE3 . 30590 1 10 . 1 . 1 2 2 MET C C 13 172.864 0.3 . 1 . . . . A 1 MET C . 30590 1 11 . 1 . 1 2 2 MET CA C 13 54.790 0.3 . 1 . . . . A 1 MET CA . 30590 1 12 . 1 . 1 2 2 MET CB C 13 34.412 0.3 . 1 . . . . A 1 MET CB . 30590 1 13 . 1 . 1 2 2 MET CG C 13 31.679 0.3 . 1 . . . . A 1 MET CG . 30590 1 14 . 1 . 1 2 2 MET CE C 13 17.507 0.3 . 1 . . . . A 1 MET CE . 30590 1 15 . 1 . 1 2 2 MET N N 15 120.211 0.3 . 1 . . . . A 1 MET N . 30590 1 16 . 1 . 1 3 3 GLN H H 1 8.217 0.020 . 1 . . . . A 2 GLN H . 30590 1 17 . 1 . 1 3 3 GLN HA H 1 5.389 0.020 . 1 . . . . A 2 GLN HA . 30590 1 18 . 1 . 1 3 3 GLN HB2 H 1 1.815 0.020 . 2 . . . . A 2 GLN HB2 . 30590 1 19 . 1 . 1 3 3 GLN HB3 H 1 1.924 0.020 . 2 . . . . A 2 GLN HB3 . 30590 1 20 . 1 . 1 3 3 GLN HG2 H 1 2.054 0.020 . 2 . . . . A 2 GLN HG2 . 30590 1 21 . 1 . 1 3 3 GLN HG3 H 1 2.270 0.020 . 2 . . . . A 2 GLN HG3 . 30590 1 22 . 1 . 1 3 3 GLN HE21 H 1 7.482 0.020 . 1 . . . . A 2 GLN HE21 . 30590 1 23 . 1 . 1 3 3 GLN HE22 H 1 6.671 0.020 . 1 . . . . A 2 GLN HE22 . 30590 1 24 . 1 . 1 3 3 GLN C C 13 175.370 0.3 . 1 . . . . A 2 GLN C . 30590 1 25 . 1 . 1 3 3 GLN CA C 13 54.252 0.3 . 1 . . . . A 2 GLN CA . 30590 1 26 . 1 . 1 3 3 GLN CB C 13 30.517 0.3 . 1 . . . . A 2 GLN CB . 30590 1 27 . 1 . 1 3 3 GLN CG C 13 33.886 0.3 . 1 . . . . A 2 GLN CG . 30590 1 28 . 1 . 1 3 3 GLN N N 15 122.435 0.3 . 1 . . . . A 2 GLN N . 30590 1 29 . 1 . 1 3 3 GLN NE2 N 15 111.271 0.3 . 1 . . . . A 2 GLN NE2 . 30590 1 30 . 1 . 1 4 4 ILE H H 1 8.492 0.020 . 1 . . . . A 3 ILE H . 30590 1 31 . 1 . 1 4 4 ILE HA H 1 4.468 0.020 . 1 . . . . A 3 ILE HA . 30590 1 32 . 1 . 1 4 4 ILE HB H 1 1.961 0.020 . 1 . . . . A 3 ILE HB . 30590 1 33 . 1 . 1 4 4 ILE HG12 H 1 0.945 0.020 . 2 . . . . A 3 ILE HG12 . 30590 1 34 . 1 . 1 4 4 ILE HG13 H 1 1.220 0.020 . 2 . . . . A 3 ILE HG13 . 30590 1 35 . 1 . 1 4 4 ILE HG21 H 1 0.755 0.020 . 1 . . . . A 3 ILE HG21 . 30590 1 36 . 1 . 1 4 4 ILE HG22 H 1 0.755 0.020 . 1 . . . . A 3 ILE HG22 . 30590 1 37 . 1 . 1 4 4 ILE HG23 H 1 0.755 0.020 . 1 . . . . A 3 ILE HG23 . 30590 1 38 . 1 . 1 4 4 ILE HD11 H 1 0.701 0.020 . 1 . . . . A 3 ILE HD11 . 30590 1 39 . 1 . 1 4 4 ILE HD12 H 1 0.701 0.020 . 1 . . . . A 3 ILE HD12 . 30590 1 40 . 1 . 1 4 4 ILE HD13 H 1 0.701 0.020 . 1 . . . . A 3 ILE HD13 . 30590 1 41 . 1 . 1 4 4 ILE C C 13 172.770 0.3 . 1 . . . . A 3 ILE C . 30590 1 42 . 1 . 1 4 4 ILE CA C 13 59.361 0.3 . 1 . . . . A 3 ILE CA . 30590 1 43 . 1 . 1 4 4 ILE CB C 13 41.466 0.3 . 1 . . . . A 3 ILE CB . 30590 1 44 . 1 . 1 4 4 ILE CG1 C 13 24.485 0.3 . 1 . . . . A 3 ILE CG1 . 30590 1 45 . 1 . 1 4 4 ILE CG2 C 13 17.556 0.3 . 1 . . . . A 3 ILE CG2 . 30590 1 46 . 1 . 1 4 4 ILE CD1 C 13 13.686 0.3 . 1 . . . . A 3 ILE CD1 . 30590 1 47 . 1 . 1 4 4 ILE N N 15 115.308 0.3 . 1 . . . . A 3 ILE N . 30590 1 48 . 1 . 1 5 5 PHE H H 1 8.706 0.020 . 1 . . . . A 4 PHE H . 30590 1 49 . 1 . 1 5 5 PHE HA H 1 5.459 0.020 . 1 . . . . A 4 PHE HA . 30590 1 50 . 1 . 1 5 5 PHE HB2 H 1 2.820 0.020 . 2 . . . . A 4 PHE HB2 . 30590 1 51 . 1 . 1 5 5 PHE HB3 H 1 3.207 0.020 . 2 . . . . A 4 PHE HB3 . 30590 1 52 . 1 . 1 5 5 PHE HD1 H 1 7.198 0.020 . 1 . . . . A 4 PHE HD1 . 30590 1 53 . 1 . 1 5 5 PHE HD2 H 1 7.198 0.020 . 1 . . . . A 4 PHE HD2 . 30590 1 54 . 1 . 1 5 5 PHE HE1 H 1 7.444 0.020 . 1 . . . . A 4 PHE HE1 . 30590 1 55 . 1 . 1 5 5 PHE HE2 H 1 7.444 0.020 . 1 . . . . A 4 PHE HE2 . 30590 1 56 . 1 . 1 5 5 PHE HZ H 1 7.400 0.020 . 1 . . . . A 4 PHE HZ . 30590 1 57 . 1 . 1 5 5 PHE C C 13 174.653 0.3 . 1 . . . . A 4 PHE C . 30590 1 58 . 1 . 1 5 5 PHE CA C 13 55.384 0.3 . 1 . . . . A 4 PHE CA . 30590 1 59 . 1 . 1 5 5 PHE CB C 13 41.106 0.3 . 1 . . . . A 4 PHE CB . 30590 1 60 . 1 . 1 5 5 PHE CD1 C 13 132.119 0.3 . 1 . . . . A 4 PHE CD1 . 30590 1 61 . 1 . 1 5 5 PHE CE1 C 13 131.419 0.3 . 1 . . . . A 4 PHE CE1 . 30590 1 62 . 1 . 1 5 5 PHE CZ C 13 129.816 0.3 . 1 . . . . A 4 PHE CZ . 30590 1 63 . 1 . 1 5 5 PHE N N 15 119.304 0.3 . 1 . . . . A 4 PHE N . 30590 1 64 . 1 . 1 6 6 VAL H H 1 9.328 0.020 . 1 . . . . A 5 VAL H . 30590 1 65 . 1 . 1 6 6 VAL HA H 1 4.641 0.020 . 1 . . . . A 5 VAL HA . 30590 1 66 . 1 . 1 6 6 VAL HB H 1 2.213 0.020 . 1 . . . . A 5 VAL HB . 30590 1 67 . 1 . 1 6 6 VAL HG11 H 1 0.813 0.020 . 2 . . . . A 5 VAL HG11 . 30590 1 68 . 1 . 1 6 6 VAL HG12 H 1 0.813 0.020 . 2 . . . . A 5 VAL HG12 . 30590 1 69 . 1 . 1 6 6 VAL HG13 H 1 0.813 0.020 . 2 . . . . A 5 VAL HG13 . 30590 1 70 . 1 . 1 6 6 VAL HG21 H 1 0.819 0.020 . 2 . . . . A 5 VAL HG21 . 30590 1 71 . 1 . 1 6 6 VAL HG22 H 1 0.819 0.020 . 2 . . . . A 5 VAL HG22 . 30590 1 72 . 1 . 1 6 6 VAL HG23 H 1 0.819 0.020 . 2 . . . . A 5 VAL HG23 . 30590 1 73 . 1 . 1 6 6 VAL C C 13 174.225 0.3 . 1 . . . . A 5 VAL C . 30590 1 74 . 1 . 1 6 6 VAL CA C 13 60.775 0.3 . 1 . . . . A 5 VAL CA . 30590 1 75 . 1 . 1 6 6 VAL CB C 13 32.995 0.3 . 1 . . . . A 5 VAL CB . 30590 1 76 . 1 . 1 6 6 VAL CG1 C 13 23.271 0.3 . 1 . . . . A 5 VAL CG1 . 30590 1 77 . 1 . 1 6 6 VAL CG2 C 13 20.398 0.3 . 1 . . . . A 5 VAL CG2 . 30590 1 78 . 1 . 1 6 6 VAL N N 15 121.895 0.3 . 1 . . . . A 5 VAL N . 30590 1 79 . 1 . 1 7 7 ASP H H 1 9.359 0.020 . 1 . . . . A 6 ASP H . 30590 1 80 . 1 . 1 7 7 ASP HA H 1 5.481 0.020 . 1 . . . . A 6 ASP HA . 30590 1 81 . 1 . 1 7 7 ASP HB2 H 1 2.854 0.020 . 1 . . . . A 6 ASP HB2 . 30590 1 82 . 1 . 1 7 7 ASP HB3 H 1 2.854 0.020 . 1 . . . . A 6 ASP HB3 . 30590 1 83 . 1 . 1 7 7 ASP C C 13 174.819 0.3 . 1 . . . . A 6 ASP C . 30590 1 84 . 1 . 1 7 7 ASP CA C 13 53.371 0.3 . 1 . . . . A 6 ASP CA . 30590 1 85 . 1 . 1 7 7 ASP CB C 13 41.262 0.3 . 1 . . . . A 6 ASP CB . 30590 1 86 . 1 . 1 7 7 ASP N N 15 130.562 0.3 . 1 . . . . A 6 ASP N . 30590 1 87 . 1 . 1 8 8 THR H H 1 9.320 0.020 . 1 . . . . A 7 THR H . 30590 1 88 . 1 . 1 8 8 THR HA H 1 5.187 0.020 . 1 . . . . A 7 THR HA . 30590 1 89 . 1 . 1 8 8 THR HB H 1 4.215 0.020 . 1 . . . . A 7 THR HB . 30590 1 90 . 1 . 1 8 8 THR HG21 H 1 1.209 0.020 . 1 . . . . A 7 THR HG21 . 30590 1 91 . 1 . 1 8 8 THR HG22 H 1 1.209 0.020 . 1 . . . . A 7 THR HG22 . 30590 1 92 . 1 . 1 8 8 THR HG23 H 1 1.209 0.020 . 1 . . . . A 7 THR HG23 . 30590 1 93 . 1 . 1 8 8 THR C C 13 173.743 0.3 . 1 . . . . A 7 THR C . 30590 1 94 . 1 . 1 8 8 THR CA C 13 61.335 0.3 . 1 . . . . A 7 THR CA . 30590 1 95 . 1 . 1 8 8 THR CB C 13 69.948 0.3 . 1 . . . . A 7 THR CB . 30590 1 96 . 1 . 1 8 8 THR CG2 C 13 20.698 0.3 . 1 . . . . A 7 THR CG2 . 30590 1 97 . 1 . 1 8 8 THR N N 15 119.443 0.3 . 1 . . . . A 7 THR N . 30590 1 98 . 1 . 1 9 9 VAL H H 1 7.920 0.020 . 1 . . . . A 8 VAL H . 30590 1 99 . 1 . 1 9 9 VAL HA H 1 4.428 0.020 . 1 . . . . A 8 VAL HA . 30590 1 100 . 1 . 1 9 9 VAL HB H 1 1.005 0.020 . 1 . . . . A 8 VAL HB . 30590 1 101 . 1 . 1 9 9 VAL HG11 H 1 0.081 0.020 . 2 . . . . A 8 VAL HG11 . 30590 1 102 . 1 . 1 9 9 VAL HG12 H 1 0.081 0.020 . 2 . . . . A 8 VAL HG12 . 30590 1 103 . 1 . 1 9 9 VAL HG13 H 1 0.081 0.020 . 2 . . . . A 8 VAL HG13 . 30590 1 104 . 1 . 1 9 9 VAL HG21 H 1 -0.046 0.020 . 2 . . . . A 8 VAL HG21 . 30590 1 105 . 1 . 1 9 9 VAL HG22 H 1 -0.046 0.020 . 2 . . . . A 8 VAL HG22 . 30590 1 106 . 1 . 1 9 9 VAL HG23 H 1 -0.046 0.020 . 2 . . . . A 8 VAL HG23 . 30590 1 107 . 1 . 1 9 9 VAL C C 13 173.508 0.3 . 1 . . . . A 8 VAL C . 30590 1 108 . 1 . 1 9 9 VAL CA C 13 59.952 0.3 . 1 . . . . A 8 VAL CA . 30590 1 109 . 1 . 1 9 9 VAL CB C 13 33.101 0.3 . 1 . . . . A 8 VAL CB . 30590 1 110 . 1 . 1 9 9 VAL CG1 C 13 20.627 0.3 . 1 . . . . A 8 VAL CG1 . 30590 1 111 . 1 . 1 9 9 VAL CG2 C 13 20.055 0.3 . 1 . . . . A 8 VAL CG2 . 30590 1 112 . 1 . 1 9 9 VAL N N 15 125.053 0.3 . 1 . . . . A 8 VAL N . 30590 1 113 . 1 . 1 10 10 GLN H H 1 8.320 0.020 . 1 . . . . A 9 GLN H . 30590 1 114 . 1 . 1 10 10 GLN HA H 1 4.693 0.020 . 1 . . . . A 9 GLN HA . 30590 1 115 . 1 . 1 10 10 GLN HB2 H 1 2.135 0.020 . 1 . . . . A 9 GLN HB2 . 30590 1 116 . 1 . 1 10 10 GLN HB3 H 1 2.135 0.020 . 1 . . . . A 9 GLN HB3 . 30590 1 117 . 1 . 1 10 10 GLN HG2 H 1 2.505 0.020 . 1 . . . . A 9 GLN HG2 . 30590 1 118 . 1 . 1 10 10 GLN HG3 H 1 2.505 0.020 . 1 . . . . A 9 GLN HG3 . 30590 1 119 . 1 . 1 10 10 GLN HE21 H 1 7.562 0.020 . 1 . . . . A 9 GLN HE21 . 30590 1 120 . 1 . 1 10 10 GLN HE22 H 1 6.682 0.020 . 1 . . . . A 9 GLN HE22 . 30590 1 121 . 1 . 1 10 10 GLN C C 13 173.908 0.3 . 1 . . . . A 9 GLN C . 30590 1 122 . 1 . 1 10 10 GLN CA C 13 53.728 0.3 . 1 . . . . A 9 GLN CA . 30590 1 123 . 1 . 1 10 10 GLN CB C 13 29.284 0.3 . 1 . . . . A 9 GLN CB . 30590 1 124 . 1 . 1 10 10 GLN CG C 13 34.034 0.3 . 1 . . . . A 9 GLN CG . 30590 1 125 . 1 . 1 10 10 GLN N N 15 124.196 0.3 . 1 . . . . A 9 GLN N . 30590 1 126 . 1 . 1 10 10 GLN NE2 N 15 108.859 0.3 . 1 . . . . A 9 GLN NE2 . 30590 1 127 . 1 . 1 11 11 TRP H H 1 8.900 0.020 . 1 . . . . A 10 TRP H . 30590 1 128 . 1 . 1 11 11 TRP HA H 1 5.418 0.020 . 1 . . . . A 10 TRP HA . 30590 1 129 . 1 . 1 11 11 TRP HB2 H 1 2.918 0.020 . 2 . . . . A 10 TRP HB2 . 30590 1 130 . 1 . 1 11 11 TRP HB3 H 1 3.128 0.020 . 2 . . . . A 10 TRP HB3 . 30590 1 131 . 1 . 1 11 11 TRP HD1 H 1 7.200 0.020 . 1 . . . . A 10 TRP HD1 . 30590 1 132 . 1 . 1 11 11 TRP HE1 H 1 9.730 0.020 . 1 . . . . A 10 TRP HE1 . 30590 1 133 . 1 . 1 11 11 TRP HE3 H 1 7.310 0.020 . 1 . . . . A 10 TRP HE3 . 30590 1 134 . 1 . 1 11 11 TRP HZ2 H 1 7.290 0.020 . 1 . . . . A 10 TRP HZ2 . 30590 1 135 . 1 . 1 11 11 TRP HZ3 H 1 6.910 0.020 . 1 . . . . A 10 TRP HZ3 . 30590 1 136 . 1 . 1 11 11 TRP HH2 H 1 6.880 0.020 . 1 . . . . A 10 TRP HH2 . 30590 1 137 . 1 . 1 11 11 TRP C C 13 175.487 0.3 . 1 . . . . A 10 TRP C . 30590 1 138 . 1 . 1 11 11 TRP CA C 13 55.746 0.3 . 1 . . . . A 10 TRP CA . 30590 1 139 . 1 . 1 11 11 TRP CB C 13 31.662 0.3 . 1 . . . . A 10 TRP CB . 30590 1 140 . 1 . 1 11 11 TRP CD1 C 13 126.634 0.3 . 1 . . . . A 10 TRP CD1 . 30590 1 141 . 1 . 1 11 11 TRP CE3 C 13 120.831 0.3 . 1 . . . . A 10 TRP CE3 . 30590 1 142 . 1 . 1 11 11 TRP CZ2 C 13 114.422 0.3 . 1 . . . . A 10 TRP CZ2 . 30590 1 143 . 1 . 1 11 11 TRP CZ3 C 13 122.117 0.3 . 1 . . . . A 10 TRP CZ3 . 30590 1 144 . 1 . 1 11 11 TRP CH2 C 13 124.017 0.3 . 1 . . . . A 10 TRP CH2 . 30590 1 145 . 1 . 1 11 11 TRP N N 15 125.852 0.3 . 1 . . . . A 10 TRP N . 30590 1 146 . 1 . 1 11 11 TRP NE1 N 15 128.287 0.3 . 1 . . . . A 10 TRP NE1 . 30590 1 147 . 1 . 1 12 12 LYS H H 1 8.690 0.020 . 1 . . . . A 11 LYS H . 30590 1 148 . 1 . 1 12 12 LYS HA H 1 4.685 0.020 . 1 . . . . A 11 LYS HA . 30590 1 149 . 1 . 1 12 12 LYS HB2 H 1 1.815 0.020 . 1 . . . . A 11 LYS HB2 . 30590 1 150 . 1 . 1 12 12 LYS HB3 H 1 1.815 0.020 . 1 . . . . A 11 LYS HB3 . 30590 1 151 . 1 . 1 12 12 LYS HG2 H 1 1.347 0.020 . 2 . . . . A 11 LYS HG2 . 30590 1 152 . 1 . 1 12 12 LYS HG3 H 1 1.474 0.020 . 2 . . . . A 11 LYS HG3 . 30590 1 153 . 1 . 1 12 12 LYS HD2 H 1 1.684 0.020 . 1 . . . . A 11 LYS HD2 . 30590 1 154 . 1 . 1 12 12 LYS HE2 H 1 2.932 0.020 . 1 . . . . A 11 LYS HE2 . 30590 1 155 . 1 . 1 12 12 LYS HE3 H 1 2.932 0.020 . 1 . . . . A 11 LYS HE3 . 30590 1 156 . 1 . 1 12 12 LYS C C 13 175.067 0.3 . 1 . . . . A 11 LYS C . 30590 1 157 . 1 . 1 12 12 LYS CA C 13 55.334 0.3 . 1 . . . . A 11 LYS CA . 30590 1 158 . 1 . 1 12 12 LYS CB C 13 35.540 0.3 . 1 . . . . A 11 LYS CB . 30590 1 159 . 1 . 1 12 12 LYS CG C 13 24.468 0.3 . 1 . . . . A 11 LYS CG . 30590 1 160 . 1 . 1 12 12 LYS CD C 13 28.755 0.3 . 1 . . . . A 11 LYS CD . 30590 1 161 . 1 . 1 12 12 LYS CE C 13 41.054 0.3 . 1 . . . . A 11 LYS CE . 30590 1 162 . 1 . 1 12 12 LYS N N 15 120.604 0.3 . 1 . . . . A 11 LYS N . 30590 1 163 . 1 . 1 13 13 THR H H 1 8.875 0.020 . 1 . . . . A 12 THR H . 30590 1 164 . 1 . 1 13 13 THR HA H 1 5.507 0.020 . 1 . . . . A 12 THR HA . 30590 1 165 . 1 . 1 13 13 THR HB H 1 3.901 0.020 . 1 . . . . A 12 THR HB . 30590 1 166 . 1 . 1 13 13 THR HG21 H 1 1.336 0.020 . 1 . . . . A 12 THR HG21 . 30590 1 167 . 1 . 1 13 13 THR HG22 H 1 1.336 0.020 . 1 . . . . A 12 THR HG22 . 30590 1 168 . 1 . 1 13 13 THR HG23 H 1 1.336 0.020 . 1 . . . . A 12 THR HG23 . 30590 1 169 . 1 . 1 13 13 THR C C 13 174.220 0.3 . 1 . . . . A 12 THR C . 30590 1 170 . 1 . 1 13 13 THR CA C 13 62.563 0.3 . 1 . . . . A 12 THR CA . 30590 1 171 . 1 . 1 13 13 THR CB C 13 70.312 0.3 . 1 . . . . A 12 THR CB . 30590 1 172 . 1 . 1 13 13 THR CG2 C 13 21.837 0.3 . 1 . . . . A 12 THR CG2 . 30590 1 173 . 1 . 1 13 13 THR N N 15 124.732 0.3 . 1 . . . . A 12 THR N . 30590 1 174 . 1 . 1 14 14 ILE H H 1 9.581 0.020 . 1 . . . . A 13 ILE H . 30590 1 175 . 1 . 1 14 14 ILE HA H 1 4.712 0.020 . 1 . . . . A 13 ILE HA . 30590 1 176 . 1 . 1 14 14 ILE HB H 1 2.057 0.020 . 1 . . . . A 13 ILE HB . 30590 1 177 . 1 . 1 14 14 ILE HG12 H 1 1.188 0.020 . 2 . . . . A 13 ILE HG12 . 30590 1 178 . 1 . 1 14 14 ILE HG13 H 1 1.595 0.020 . 2 . . . . A 13 ILE HG13 . 30590 1 179 . 1 . 1 14 14 ILE HG21 H 1 1.013 0.020 . 1 . . . . A 13 ILE HG21 . 30590 1 180 . 1 . 1 14 14 ILE HG22 H 1 1.013 0.020 . 1 . . . . A 13 ILE HG22 . 30590 1 181 . 1 . 1 14 14 ILE HG23 H 1 1.013 0.020 . 1 . . . . A 13 ILE HG23 . 30590 1 182 . 1 . 1 14 14 ILE HD11 H 1 0.880 0.020 . 1 . . . . A 13 ILE HD11 . 30590 1 183 . 1 . 1 14 14 ILE HD12 H 1 0.880 0.020 . 1 . . . . A 13 ILE HD12 . 30590 1 184 . 1 . 1 14 14 ILE HD13 H 1 0.880 0.020 . 1 . . . . A 13 ILE HD13 . 30590 1 185 . 1 . 1 14 14 ILE C C 13 174.498 0.3 . 1 . . . . A 13 ILE C . 30590 1 186 . 1 . 1 14 14 ILE CA C 13 59.638 0.3 . 1 . . . . A 13 ILE CA . 30590 1 187 . 1 . 1 14 14 ILE CB C 13 41.057 0.3 . 1 . . . . A 13 ILE CB . 30590 1 188 . 1 . 1 14 14 ILE CG1 C 13 27.119 0.3 . 1 . . . . A 13 ILE CG1 . 30590 1 189 . 1 . 1 14 14 ILE CG2 C 13 17.280 0.3 . 1 . . . . A 13 ILE CG2 . 30590 1 190 . 1 . 1 14 14 ILE CD1 C 13 14.172 0.3 . 1 . . . . A 13 ILE CD1 . 30590 1 191 . 1 . 1 14 14 ILE N N 15 127.145 0.3 . 1 . . . . A 13 ILE N . 30590 1 192 . 1 . 1 15 15 THR H H 1 8.570 0.020 . 1 . . . . A 14 THR H . 30590 1 193 . 1 . 1 15 15 THR HA H 1 5.106 0.020 . 1 . . . . A 14 THR HA . 30590 1 194 . 1 . 1 15 15 THR HB H 1 4.098 0.020 . 1 . . . . A 14 THR HB . 30590 1 195 . 1 . 1 15 15 THR HG21 H 1 1.188 0.020 . 1 . . . . A 14 THR HG21 . 30590 1 196 . 1 . 1 15 15 THR HG22 H 1 1.188 0.020 . 1 . . . . A 14 THR HG22 . 30590 1 197 . 1 . 1 15 15 THR HG23 H 1 1.188 0.020 . 1 . . . . A 14 THR HG23 . 30590 1 198 . 1 . 1 15 15 THR C C 13 173.358 0.3 . 1 . . . . A 14 THR C . 30590 1 199 . 1 . 1 15 15 THR CA C 13 61.296 0.3 . 1 . . . . A 14 THR CA . 30590 1 200 . 1 . 1 15 15 THR CB C 13 69.696 0.3 . 1 . . . . A 14 THR CB . 30590 1 201 . 1 . 1 15 15 THR CG2 C 13 21.311 0.3 . 1 . . . . A 14 THR CG2 . 30590 1 202 . 1 . 1 15 15 THR N N 15 119.360 0.3 . 1 . . . . A 14 THR N . 30590 1 203 . 1 . 1 16 16 LEU H H 1 8.703 0.020 . 1 . . . . A 15 LEU H . 30590 1 204 . 1 . 1 16 16 LEU HA H 1 4.872 0.020 . 1 . . . . A 15 LEU HA . 30590 1 205 . 1 . 1 16 16 LEU HB2 H 1 1.412 0.020 . 1 . . . . A 15 LEU HB2 . 30590 1 206 . 1 . 1 16 16 LEU HB3 H 1 1.412 0.020 . 1 . . . . A 15 LEU HB3 . 30590 1 207 . 1 . 1 16 16 LEU HG H 1 1.530 0.020 . 1 . . . . A 15 LEU HG . 30590 1 208 . 1 . 1 16 16 LEU HD11 H 1 0.871 0.020 . 2 . . . . A 15 LEU HD11 . 30590 1 209 . 1 . 1 16 16 LEU HD12 H 1 0.871 0.020 . 2 . . . . A 15 LEU HD12 . 30590 1 210 . 1 . 1 16 16 LEU HD13 H 1 0.871 0.020 . 2 . . . . A 15 LEU HD13 . 30590 1 211 . 1 . 1 16 16 LEU HD21 H 1 0.838 0.020 . 2 . . . . A 15 LEU HD21 . 30590 1 212 . 1 . 1 16 16 LEU HD22 H 1 0.838 0.020 . 2 . . . . A 15 LEU HD22 . 30590 1 213 . 1 . 1 16 16 LEU HD23 H 1 0.838 0.020 . 2 . . . . A 15 LEU HD23 . 30590 1 214 . 1 . 1 16 16 LEU C C 13 174.423 0.3 . 1 . . . . A 15 LEU C . 30590 1 215 . 1 . 1 16 16 LEU CA C 13 52.669 0.3 . 1 . . . . A 15 LEU CA . 30590 1 216 . 1 . 1 16 16 LEU CB C 13 46.941 0.3 . 1 . . . . A 15 LEU CB . 30590 1 217 . 1 . 1 16 16 LEU CG C 13 26.263 0.3 . 1 . . . . A 15 LEU CG . 30590 1 218 . 1 . 1 16 16 LEU CD1 C 13 24.431 0.3 . 1 . . . . A 15 LEU CD1 . 30590 1 219 . 1 . 1 16 16 LEU CD2 C 13 26.235 0.3 . 1 . . . . A 15 LEU CD2 . 30590 1 220 . 1 . 1 16 16 LEU N N 15 124.824 0.3 . 1 . . . . A 15 LEU N . 30590 1 221 . 1 . 1 17 17 GLU H H 1 8.211 0.020 . 1 . . . . A 16 GLU H . 30590 1 222 . 1 . 1 17 17 GLU HA H 1 4.973 0.020 . 1 . . . . A 16 GLU HA . 30590 1 223 . 1 . 1 17 17 GLU HB2 H 1 2.006 0.020 . 2 . . . . A 16 GLU HB2 . 30590 1 224 . 1 . 1 17 17 GLU HB3 H 1 2.058 0.020 . 2 . . . . A 16 GLU HB3 . 30590 1 225 . 1 . 1 17 17 GLU HG2 H 1 2.244 0.020 . 1 . . . . A 16 GLU HG2 . 30590 1 226 . 1 . 1 17 17 GLU HG3 H 1 2.244 0.020 . 1 . . . . A 16 GLU HG3 . 30590 1 227 . 1 . 1 17 17 GLU C C 13 175.723 0.3 . 1 . . . . A 16 GLU C . 30590 1 228 . 1 . 1 17 17 GLU CA C 13 55.588 0.3 . 1 . . . . A 16 GLU CA . 30590 1 229 . 1 . 1 17 17 GLU CB C 13 29.748 0.3 . 1 . . . . A 16 GLU CB . 30590 1 230 . 1 . 1 17 17 GLU CG C 13 36.243 0.3 . 1 . . . . A 16 GLU CG . 30590 1 231 . 1 . 1 17 17 GLU N N 15 122.644 0.3 . 1 . . . . A 16 GLU N . 30590 1 232 . 1 . 1 18 18 VAL H H 1 8.724 0.020 . 1 . . . . A 17 VAL H . 30590 1 233 . 1 . 1 18 18 VAL HA H 1 4.794 0.020 . 1 . . . . A 17 VAL HA . 30590 1 234 . 1 . 1 18 18 VAL HB H 1 2.473 0.020 . 1 . . . . A 17 VAL HB . 30590 1 235 . 1 . 1 18 18 VAL HG11 H 1 0.824 0.020 . 2 . . . . A 17 VAL HG11 . 30590 1 236 . 1 . 1 18 18 VAL HG12 H 1 0.824 0.020 . 2 . . . . A 17 VAL HG12 . 30590 1 237 . 1 . 1 18 18 VAL HG13 H 1 0.824 0.020 . 2 . . . . A 17 VAL HG13 . 30590 1 238 . 1 . 1 18 18 VAL HG21 H 1 0.585 0.020 . 2 . . . . A 17 VAL HG21 . 30590 1 239 . 1 . 1 18 18 VAL HG22 H 1 0.585 0.020 . 2 . . . . A 17 VAL HG22 . 30590 1 240 . 1 . 1 18 18 VAL HG23 H 1 0.585 0.020 . 2 . . . . A 17 VAL HG23 . 30590 1 241 . 1 . 1 18 18 VAL C C 13 173.496 0.3 . 1 . . . . A 17 VAL C . 30590 1 242 . 1 . 1 18 18 VAL CA C 13 58.558 0.3 . 1 . . . . A 17 VAL CA . 30590 1 243 . 1 . 1 18 18 VAL CB C 13 36.057 0.3 . 1 . . . . A 17 VAL CB . 30590 1 244 . 1 . 1 18 18 VAL CG1 C 13 22.184 0.3 . 1 . . . . A 17 VAL CG1 . 30590 1 245 . 1 . 1 18 18 VAL CG2 C 13 18.834 0.3 . 1 . . . . A 17 VAL CG2 . 30590 1 246 . 1 . 1 18 18 VAL N N 15 117.146 0.3 . 1 . . . . A 17 VAL N . 30590 1 247 . 1 . 1 19 19 GLU H H 1 8.601 0.020 . 1 . . . . A 18 GLU H . 30590 1 248 . 1 . 1 19 19 GLU HA H 1 5.046 0.020 . 1 . . . . A 18 GLU HA . 30590 1 249 . 1 . 1 19 19 GLU HB2 H 1 1.781 0.020 . 2 . . . . A 18 GLU HB2 . 30590 1 250 . 1 . 1 19 19 GLU HB3 H 1 2.213 0.020 . 2 . . . . A 18 GLU HB3 . 30590 1 251 . 1 . 1 19 19 GLU HG2 H 1 2.280 0.020 . 2 . . . . A 18 GLU HG2 . 30590 1 252 . 1 . 1 19 19 GLU HG3 H 1 2.394 0.020 . 2 . . . . A 18 GLU HG3 . 30590 1 253 . 1 . 1 19 19 GLU C C 13 175.786 0.3 . 1 . . . . A 18 GLU C . 30590 1 254 . 1 . 1 19 19 GLU CA C 13 53.273 0.3 . 1 . . . . A 18 GLU CA . 30590 1 255 . 1 . 1 19 19 GLU CB C 13 31.204 0.3 . 1 . . . . A 18 GLU CB . 30590 1 256 . 1 . 1 19 19 GLU CG C 13 35.552 0.3 . 1 . . . . A 18 GLU CG . 30590 1 257 . 1 . 1 19 19 GLU N N 15 118.536 0.3 . 1 . . . . A 18 GLU N . 30590 1 258 . 1 . 1 20 20 PRO HA H 1 4.233 0.020 . 1 . . . . A 19 PRO HA . 30590 1 259 . 1 . 1 20 20 PRO HB2 H 1 2.102 0.020 . 2 . . . . A 19 PRO HB2 . 30590 1 260 . 1 . 1 20 20 PRO HB3 H 1 2.514 0.020 . 2 . . . . A 19 PRO HB3 . 30590 1 261 . 1 . 1 20 20 PRO HG2 H 1 2.179 0.020 . 2 . . . . A 19 PRO HG2 . 30590 1 262 . 1 . 1 20 20 PRO HG3 H 1 2.293 0.020 . 2 . . . . A 19 PRO HG3 . 30590 1 263 . 1 . 1 20 20 PRO HD2 H 1 3.901 0.020 . 2 . . . . A 19 PRO HD2 . 30590 1 264 . 1 . 1 20 20 PRO HD3 H 1 4.058 0.020 . 2 . . . . A 19 PRO HD3 . 30590 1 265 . 1 . 1 20 20 PRO C C 13 175.197 0.3 . 1 . . . . A 19 PRO C . 30590 1 266 . 1 . 1 20 20 PRO CA C 13 65.276 0.3 . 1 . . . . A 19 PRO CA . 30590 1 267 . 1 . 1 20 20 PRO CB C 13 31.253 0.3 . 1 . . . . A 19 PRO CB . 30590 1 268 . 1 . 1 20 20 PRO CG C 13 27.691 0.3 . 1 . . . . A 19 PRO CG . 30590 1 269 . 1 . 1 20 20 PRO CD C 13 50.387 0.3 . 1 . . . . A 19 PRO CD . 30590 1 270 . 1 . 1 20 20 PRO N N 15 117.883 0.3 . 1 . . . . A 19 PRO N . 30590 1 271 . 1 . 1 21 21 SER H H 1 7.184 0.020 . 1 . . . . A 20 SER H . 30590 1 272 . 1 . 1 21 21 SER HA H 1 4.491 0.020 . 1 . . . . A 20 SER HA . 30590 1 273 . 1 . 1 21 21 SER HB2 H 1 3.903 0.020 . 2 . . . . A 20 SER HB2 . 30590 1 274 . 1 . 1 21 21 SER HB3 H 1 4.253 0.020 . 2 . . . . A 20 SER HB3 . 30590 1 275 . 1 . 1 21 21 SER C C 13 174.265 0.3 . 1 . . . . A 20 SER C . 30590 1 276 . 1 . 1 21 21 SER CA C 13 57.058 0.3 . 1 . . . . A 20 SER CA . 30590 1 277 . 1 . 1 21 21 SER CB C 13 63.257 0.3 . 1 . . . . A 20 SER CB . 30590 1 278 . 1 . 1 21 21 SER N N 15 104.194 0.3 . 1 . . . . A 20 SER N . 30590 1 279 . 1 . 1 22 22 ASP H H 1 8.100 0.020 . 1 . . . . A 21 ASP H . 30590 1 280 . 1 . 1 22 22 ASP HA H 1 4.780 0.020 . 1 . . . . A 21 ASP HA . 30590 1 281 . 1 . 1 22 22 ASP HB2 H 1 2.622 0.020 . 2 . . . . A 21 ASP HB2 . 30590 1 282 . 1 . 1 22 22 ASP HB3 H 1 3.041 0.020 . 2 . . . . A 21 ASP HB3 . 30590 1 283 . 1 . 1 22 22 ASP C C 13 176.149 0.3 . 1 . . . . A 21 ASP C . 30590 1 284 . 1 . 1 22 22 ASP CA C 13 55.491 0.3 . 1 . . . . A 21 ASP CA . 30590 1 285 . 1 . 1 22 22 ASP CB C 13 40.735 0.3 . 1 . . . . A 21 ASP CB . 30590 1 286 . 1 . 1 22 22 ASP N N 15 123.947 0.3 . 1 . . . . A 21 ASP N . 30590 1 287 . 1 . 1 23 23 THR H H 1 7.912 0.020 . 1 . . . . A 22 THR H . 30590 1 288 . 1 . 1 23 23 THR HA H 1 5.039 0.020 . 1 . . . . A 22 THR HA . 30590 1 289 . 1 . 1 23 23 THR HB H 1 4.913 0.020 . 1 . . . . A 22 THR HB . 30590 1 290 . 1 . 1 23 23 THR HG21 H 1 1.370 0.020 . 1 . . . . A 22 THR HG21 . 30590 1 291 . 1 . 1 23 23 THR HG22 H 1 1.370 0.020 . 1 . . . . A 22 THR HG22 . 30590 1 292 . 1 . 1 23 23 THR HG23 H 1 1.370 0.020 . 1 . . . . A 22 THR HG23 . 30590 1 293 . 1 . 1 23 23 THR C C 13 176.424 0.3 . 1 . . . . A 22 THR C . 30590 1 294 . 1 . 1 23 23 THR CA C 13 59.328 0.3 . 1 . . . . A 22 THR CA . 30590 1 295 . 1 . 1 23 23 THR CB C 13 70.932 0.3 . 1 . . . . A 22 THR CB . 30590 1 296 . 1 . 1 23 23 THR CG2 C 13 21.955 0.3 . 1 . . . . A 22 THR CG2 . 30590 1 297 . 1 . 1 23 23 THR N N 15 109.442 0.3 . 1 . . . . A 22 THR N . 30590 1 298 . 1 . 1 24 24 ILE H H 1 8.627 0.020 . 1 . . . . A 23 ILE H . 30590 1 299 . 1 . 1 24 24 ILE HA H 1 3.770 0.020 . 1 . . . . A 23 ILE HA . 30590 1 300 . 1 . 1 24 24 ILE HB H 1 2.642 0.020 . 1 . . . . A 23 ILE HB . 30590 1 301 . 1 . 1 24 24 ILE HG12 H 1 1.412 0.020 . 2 . . . . A 23 ILE HG12 . 30590 1 302 . 1 . 1 24 24 ILE HG13 H 1 2.005 0.020 . 2 . . . . A 23 ILE HG13 . 30590 1 303 . 1 . 1 24 24 ILE HG21 H 1 0.899 0.020 . 1 . . . . A 23 ILE HG21 . 30590 1 304 . 1 . 1 24 24 ILE HG22 H 1 0.899 0.020 . 1 . . . . A 23 ILE HG22 . 30590 1 305 . 1 . 1 24 24 ILE HG23 H 1 0.899 0.020 . 1 . . . . A 23 ILE HG23 . 30590 1 306 . 1 . 1 24 24 ILE HD11 H 1 0.689 0.020 . 1 . . . . A 23 ILE HD11 . 30590 1 307 . 1 . 1 24 24 ILE HD12 H 1 0.689 0.020 . 1 . . . . A 23 ILE HD12 . 30590 1 308 . 1 . 1 24 24 ILE HD13 H 1 0.689 0.020 . 1 . . . . A 23 ILE HD13 . 30590 1 309 . 1 . 1 24 24 ILE C C 13 178.546 0.3 . 1 . . . . A 23 ILE C . 30590 1 310 . 1 . 1 24 24 ILE CA C 13 62.165 0.3 . 1 . . . . A 23 ILE CA . 30590 1 311 . 1 . 1 24 24 ILE CB C 13 34.146 0.3 . 1 . . . . A 23 ILE CB . 30590 1 312 . 1 . 1 24 24 ILE CG1 C 13 27.789 0.3 . 1 . . . . A 23 ILE CG1 . 30590 1 313 . 1 . 1 24 24 ILE CG2 C 13 17.967 0.3 . 1 . . . . A 23 ILE CG2 . 30590 1 314 . 1 . 1 24 24 ILE CD1 C 13 9.324 0.3 . 1 . . . . A 23 ILE CD1 . 30590 1 315 . 1 . 1 24 24 ILE N N 15 121.891 0.3 . 1 . . . . A 23 ILE N . 30590 1 316 . 1 . 1 25 25 GLU H H 1 10.018 0.020 . 1 . . . . A 24 GLU H . 30590 1 317 . 1 . 1 25 25 GLU HA H 1 4.001 0.020 . 1 . . . . A 24 GLU HA . 30590 1 318 . 1 . 1 25 25 GLU HB2 H 1 2.138 0.020 . 1 . . . . A 24 GLU HB2 . 30590 1 319 . 1 . 1 25 25 GLU HB3 H 1 2.138 0.020 . 1 . . . . A 24 GLU HB3 . 30590 1 320 . 1 . 1 25 25 GLU HG2 H 1 2.429 0.020 . 1 . . . . A 24 GLU HG2 . 30590 1 321 . 1 . 1 25 25 GLU HG3 H 1 2.429 0.020 . 1 . . . . A 24 GLU HG3 . 30590 1 322 . 1 . 1 25 25 GLU C C 13 178.521 0.3 . 1 . . . . A 24 GLU C . 30590 1 323 . 1 . 1 25 25 GLU CA C 13 60.243 0.3 . 1 . . . . A 24 GLU CA . 30590 1 324 . 1 . 1 25 25 GLU CB C 13 28.564 0.3 . 1 . . . . A 24 GLU CB . 30590 1 325 . 1 . 1 25 25 GLU CG C 13 35.725 0.3 . 1 . . . . A 24 GLU CG . 30590 1 326 . 1 . 1 25 25 GLU N N 15 121.504 0.3 . 1 . . . . A 24 GLU N . 30590 1 327 . 1 . 1 26 26 ASN H H 1 7.999 0.020 . 1 . . . . A 25 ASN H . 30590 1 328 . 1 . 1 26 26 ASN HA H 1 4.644 0.020 . 1 . . . . A 25 ASN HA . 30590 1 329 . 1 . 1 26 26 ASN HB2 H 1 2.925 0.020 . 2 . . . . A 25 ASN HB2 . 30590 1 330 . 1 . 1 26 26 ASN HB3 H 1 3.327 0.020 . 2 . . . . A 25 ASN HB3 . 30590 1 331 . 1 . 1 26 26 ASN HD21 H 1 7.917 0.020 . 1 . . . . A 25 ASN HD21 . 30590 1 332 . 1 . 1 26 26 ASN HD22 H 1 6.952 0.020 . 1 . . . . A 25 ASN HD22 . 30590 1 333 . 1 . 1 26 26 ASN C C 13 177.957 0.3 . 1 . . . . A 25 ASN C . 30590 1 334 . 1 . 1 26 26 ASN CA C 13 55.457 0.3 . 1 . . . . A 25 ASN CA . 30590 1 335 . 1 . 1 26 26 ASN CB C 13 38.117 0.3 . 1 . . . . A 25 ASN CB . 30590 1 336 . 1 . 1 26 26 ASN N N 15 121.089 0.3 . 1 . . . . A 25 ASN N . 30590 1 337 . 1 . 1 26 26 ASN ND2 N 15 109.812 0.3 . 1 . . . . A 25 ASN ND2 . 30590 1 338 . 1 . 1 27 27 VAL H H 1 8.271 0.020 . 1 . . . . A 26 VAL H . 30590 1 339 . 1 . 1 27 27 VAL HA H 1 3.522 0.020 . 1 . . . . A 26 VAL HA . 30590 1 340 . 1 . 1 27 27 VAL HB H 1 2.458 0.020 . 1 . . . . A 26 VAL HB . 30590 1 341 . 1 . 1 27 27 VAL HG11 H 1 1.098 0.020 . 2 . . . . A 26 VAL HG11 . 30590 1 342 . 1 . 1 27 27 VAL HG12 H 1 1.098 0.020 . 2 . . . . A 26 VAL HG12 . 30590 1 343 . 1 . 1 27 27 VAL HG13 H 1 1.098 0.020 . 2 . . . . A 26 VAL HG13 . 30590 1 344 . 1 . 1 27 27 VAL HG21 H 1 0.829 0.020 . 2 . . . . A 26 VAL HG21 . 30590 1 345 . 1 . 1 27 27 VAL HG22 H 1 0.829 0.020 . 2 . . . . A 26 VAL HG22 . 30590 1 346 . 1 . 1 27 27 VAL HG23 H 1 0.829 0.020 . 2 . . . . A 26 VAL HG23 . 30590 1 347 . 1 . 1 27 27 VAL C C 13 177.488 0.3 . 1 . . . . A 26 VAL C . 30590 1 348 . 1 . 1 27 27 VAL CA C 13 67.529 0.3 . 1 . . . . A 26 VAL CA . 30590 1 349 . 1 . 1 27 27 VAL CB C 13 30.635 0.3 . 1 . . . . A 26 VAL CB . 30590 1 350 . 1 . 1 27 27 VAL CG1 C 13 23.419 0.3 . 1 . . . . A 26 VAL CG1 . 30590 1 351 . 1 . 1 27 27 VAL CG2 C 13 20.906 0.3 . 1 . . . . A 26 VAL CG2 . 30590 1 352 . 1 . 1 27 27 VAL N N 15 122.594 0.3 . 1 . . . . A 26 VAL N . 30590 1 353 . 1 . 1 28 28 LYS H H 1 8.619 0.020 . 1 . . . . A 27 LYS H . 30590 1 354 . 1 . 1 28 28 LYS HA H 1 4.731 0.020 . 1 . . . . A 27 LYS HA . 30590 1 355 . 1 . 1 28 28 LYS HB2 H 1 1.557 0.020 . 2 . . . . A 27 LYS HB2 . 30590 1 356 . 1 . 1 28 28 LYS HB3 H 1 1.605 0.020 . 2 . . . . A 27 LYS HB3 . 30590 1 357 . 1 . 1 28 28 LYS HG2 H 1 1.746 0.020 . 1 . . . . A 27 LYS HG2 . 30590 1 358 . 1 . 1 28 28 LYS HG3 H 1 1.746 0.020 . 1 . . . . A 27 LYS HG3 . 30590 1 359 . 1 . 1 28 28 LYS HD2 H 1 1.592 0.020 . 1 . . . . A 27 LYS HD2 . 30590 1 360 . 1 . 1 28 28 LYS HD3 H 1 1.592 0.020 . 1 . . . . A 27 LYS HD3 . 30590 1 361 . 1 . 1 28 28 LYS HE2 H 1 3.091 0.020 . 2 . . . . A 27 LYS HE2 . 30590 1 362 . 1 . 1 28 28 LYS HE3 H 1 3.158 0.020 . 2 . . . . A 27 LYS HE3 . 30590 1 363 . 1 . 1 28 28 LYS C C 13 180.240 0.3 . 1 . . . . A 27 LYS C . 30590 1 364 . 1 . 1 28 28 LYS CA C 13 59.017 0.3 . 1 . . . . A 27 LYS CA . 30590 1 365 . 1 . 1 28 28 LYS CB C 13 33.429 0.3 . 1 . . . . A 27 LYS CB . 30590 1 366 . 1 . 1 28 28 LYS CG C 13 27.217 0.3 . 1 . . . . A 27 LYS CG . 30590 1 367 . 1 . 1 28 28 LYS CD C 13 29.814 0.3 . 1 . . . . A 27 LYS CD . 30590 1 368 . 1 . 1 28 28 LYS CE C 13 41.895 0.3 . 1 . . . . A 27 LYS CE . 30590 1 369 . 1 . 1 28 28 LYS N N 15 119.198 0.3 . 1 . . . . A 27 LYS N . 30590 1 370 . 1 . 1 29 29 ALA H H 1 8.054 0.020 . 1 . . . . A 28 ALA H . 30590 1 371 . 1 . 1 29 29 ALA HA H 1 4.271 0.020 . 1 . . . . A 28 ALA HA . 30590 1 372 . 1 . 1 29 29 ALA HB1 H 1 1.728 0.020 . 1 . . . . A 28 ALA HB1 . 30590 1 373 . 1 . 1 29 29 ALA HB2 H 1 1.728 0.020 . 1 . . . . A 28 ALA HB2 . 30590 1 374 . 1 . 1 29 29 ALA HB3 H 1 1.728 0.020 . 1 . . . . A 28 ALA HB3 . 30590 1 375 . 1 . 1 29 29 ALA C C 13 179.959 0.3 . 1 . . . . A 28 ALA C . 30590 1 376 . 1 . 1 29 29 ALA CA C 13 55.040 0.3 . 1 . . . . A 28 ALA CA . 30590 1 377 . 1 . 1 29 29 ALA CB C 13 17.522 0.3 . 1 . . . . A 28 ALA CB . 30590 1 378 . 1 . 1 29 29 ALA N N 15 123.234 0.3 . 1 . . . . A 28 ALA N . 30590 1 379 . 1 . 1 30 30 LYS H H 1 8.116 0.020 . 1 . . . . A 29 LYS H . 30590 1 380 . 1 . 1 30 30 LYS HA H 1 4.294 0.020 . 1 . . . . A 29 LYS HA . 30590 1 381 . 1 . 1 30 30 LYS HB2 H 1 2.026 0.020 . 2 . . . . A 29 LYS HB2 . 30590 1 382 . 1 . 1 30 30 LYS HB3 H 1 2.255 0.020 . 2 . . . . A 29 LYS HB3 . 30590 1 383 . 1 . 1 30 30 LYS HG2 H 1 1.911 0.020 . 1 . . . . A 29 LYS HG2 . 30590 1 384 . 1 . 1 30 30 LYS HG3 H 1 1.911 0.020 . 1 . . . . A 29 LYS HG3 . 30590 1 385 . 1 . 1 30 30 LYS HD2 H 1 1.593 0.020 . 1 . . . . A 29 LYS HD2 . 30590 1 386 . 1 . 1 30 30 LYS HD3 H 1 1.593 0.020 . 1 . . . . A 29 LYS HD3 . 30590 1 387 . 1 . 1 30 30 LYS HE2 H 1 3.144 0.020 . 1 . . . . A 29 LYS HE2 . 30590 1 388 . 1 . 1 30 30 LYS HE3 H 1 3.144 0.020 . 1 . . . . A 29 LYS HE3 . 30590 1 389 . 1 . 1 30 30 LYS C C 13 179.842 0.3 . 1 . . . . A 29 LYS C . 30590 1 390 . 1 . 1 30 30 LYS CA C 13 59.591 0.3 . 1 . . . . A 29 LYS CA . 30590 1 391 . 1 . 1 30 30 LYS CB C 13 33.000 0.3 . 1 . . . . A 29 LYS CB . 30590 1 392 . 1 . 1 30 30 LYS CG C 13 26.189 0.3 . 1 . . . . A 29 LYS CG . 30590 1 393 . 1 . 1 30 30 LYS CD C 13 29.999 0.3 . 1 . . . . A 29 LYS CD . 30590 1 394 . 1 . 1 30 30 LYS CE C 13 41.733 0.3 . 1 . . . . A 29 LYS CE . 30590 1 395 . 1 . 1 30 30 LYS N N 15 120.840 0.3 . 1 . . . . A 29 LYS N . 30590 1 396 . 1 . 1 31 31 ILE H H 1 8.429 0.020 . 1 . . . . A 30 ILE H . 30590 1 397 . 1 . 1 31 31 ILE HA H 1 3.605 0.020 . 1 . . . . A 30 ILE HA . 30590 1 398 . 1 . 1 31 31 ILE HB H 1 2.398 0.020 . 1 . . . . A 30 ILE HB . 30590 1 399 . 1 . 1 31 31 ILE HG12 H 1 0.820 0.020 . 2 . . . . A 30 ILE HG12 . 30590 1 400 . 1 . 1 31 31 ILE HG13 H 1 2.119 0.020 . 2 . . . . A 30 ILE HG13 . 30590 1 401 . 1 . 1 31 31 ILE HG21 H 1 0.796 0.020 . 1 . . . . A 30 ILE HG21 . 30590 1 402 . 1 . 1 31 31 ILE HG22 H 1 0.796 0.020 . 1 . . . . A 30 ILE HG22 . 30590 1 403 . 1 . 1 31 31 ILE HG23 H 1 0.796 0.020 . 1 . . . . A 30 ILE HG23 . 30590 1 404 . 1 . 1 31 31 ILE HD11 H 1 0.970 0.020 . 1 . . . . A 30 ILE HD11 . 30590 1 405 . 1 . 1 31 31 ILE HD12 H 1 0.970 0.020 . 1 . . . . A 30 ILE HD12 . 30590 1 406 . 1 . 1 31 31 ILE HD13 H 1 0.970 0.020 . 1 . . . . A 30 ILE HD13 . 30590 1 407 . 1 . 1 31 31 ILE C C 13 177.853 0.3 . 1 . . . . A 30 ILE C . 30590 1 408 . 1 . 1 31 31 ILE CA C 13 65.940 0.3 . 1 . . . . A 30 ILE CA . 30590 1 409 . 1 . 1 31 31 ILE CB C 13 36.694 0.3 . 1 . . . . A 30 ILE CB . 30590 1 410 . 1 . 1 31 31 ILE CG1 C 13 30.893 0.3 . 1 . . . . A 30 ILE CG1 . 30590 1 411 . 1 . 1 31 31 ILE CG2 C 13 16.973 0.3 . 1 . . . . A 30 ILE CG2 . 30590 1 412 . 1 . 1 31 31 ILE CD1 C 13 13.995 0.3 . 1 . . . . A 30 ILE CD1 . 30590 1 413 . 1 . 1 31 31 ILE N N 15 121.911 0.3 . 1 . . . . A 30 ILE N . 30590 1 414 . 1 . 1 32 32 GLN H H 1 8.605 0.020 . 1 . . . . A 31 GLN H . 30590 1 415 . 1 . 1 32 32 GLN HA H 1 3.962 0.020 . 1 . . . . A 31 GLN HA . 30590 1 416 . 1 . 1 32 32 GLN HB2 H 1 2.103 0.020 . 2 . . . . A 31 GLN HB2 . 30590 1 417 . 1 . 1 32 32 GLN HB3 H 1 2.569 0.020 . 2 . . . . A 31 GLN HB3 . 30590 1 418 . 1 . 1 32 32 GLN HG2 H 1 2.045 0.020 . 2 . . . . A 31 GLN HG2 . 30590 1 419 . 1 . 1 32 32 GLN HG3 H 1 2.389 0.020 . 2 . . . . A 31 GLN HG3 . 30590 1 420 . 1 . 1 32 32 GLN HE21 H 1 7.645 0.020 . 1 . . . . A 31 GLN HE21 . 30590 1 421 . 1 . 1 32 32 GLN HE22 H 1 6.814 0.020 . 1 . . . . A 31 GLN HE22 . 30590 1 422 . 1 . 1 32 32 GLN C C 13 178.714 0.3 . 1 . . . . A 31 GLN C . 30590 1 423 . 1 . 1 32 32 GLN CA C 13 59.897 0.3 . 1 . . . . A 31 GLN CA . 30590 1 424 . 1 . 1 32 32 GLN CB C 13 27.514 0.3 . 1 . . . . A 31 GLN CB . 30590 1 425 . 1 . 1 32 32 GLN CG C 13 33.577 0.3 . 1 . . . . A 31 GLN CG . 30590 1 426 . 1 . 1 32 32 GLN N N 15 123.666 0.3 . 1 . . . . A 31 GLN N . 30590 1 427 . 1 . 1 32 32 GLN NE2 N 15 109.860 0.3 . 1 . . . . A 31 GLN NE2 . 30590 1 428 . 1 . 1 33 33 ASP H H 1 8.251 0.020 . 1 . . . . A 32 ASP H . 30590 1 429 . 1 . 1 33 33 ASP HA H 1 4.443 0.020 . 1 . . . . A 32 ASP HA . 30590 1 430 . 1 . 1 33 33 ASP HB2 H 1 2.847 0.020 . 2 . . . . A 32 ASP HB2 . 30590 1 431 . 1 . 1 33 33 ASP HB3 H 1 2.935 0.020 . 2 . . . . A 32 ASP HB3 . 30590 1 432 . 1 . 1 33 33 ASP C C 13 177.024 0.3 . 1 . . . . A 32 ASP C . 30590 1 433 . 1 . 1 33 33 ASP CA C 13 57.133 0.3 . 1 . . . . A 32 ASP CA . 30590 1 434 . 1 . 1 33 33 ASP CB C 13 40.985 0.3 . 1 . . . . A 32 ASP CB . 30590 1 435 . 1 . 1 33 33 ASP N N 15 120.318 0.3 . 1 . . . . A 32 ASP N . 30590 1 436 . 1 . 1 34 34 LYS H H 1 7.719 0.020 . 1 . . . . A 33 LYS H . 30590 1 437 . 1 . 1 34 34 LYS HA H 1 4.386 0.020 . 1 . . . . A 33 LYS HA . 30590 1 438 . 1 . 1 34 34 LYS HB2 H 1 2.010 0.020 . 1 . . . . A 33 LYS HB2 . 30590 1 439 . 1 . 1 34 34 LYS HB3 H 1 2.010 0.020 . 1 . . . . A 33 LYS HB3 . 30590 1 440 . 1 . 1 34 34 LYS HG2 H 1 1.722 0.020 . 1 . . . . A 33 LYS HG2 . 30590 1 441 . 1 . 1 34 34 LYS HG3 H 1 1.722 0.020 . 1 . . . . A 33 LYS HG3 . 30590 1 442 . 1 . 1 34 34 LYS HD2 H 1 1.834 0.020 . 1 . . . . A 33 LYS HD2 . 30590 1 443 . 1 . 1 34 34 LYS HD3 H 1 1.834 0.020 . 1 . . . . A 33 LYS HD3 . 30590 1 444 . 1 . 1 34 34 LYS HE2 H 1 3.273 0.020 . 1 . . . . A 33 LYS HE2 . 30590 1 445 . 1 . 1 34 34 LYS HE3 H 1 3.273 0.020 . 1 . . . . A 33 LYS HE3 . 30590 1 446 . 1 . 1 34 34 LYS C C 13 177.571 0.3 . 1 . . . . A 33 LYS C . 30590 1 447 . 1 . 1 34 34 LYS CA C 13 58.170 0.3 . 1 . . . . A 33 LYS CA . 30590 1 448 . 1 . 1 34 34 LYS CB C 13 33.919 0.3 . 1 . . . . A 33 LYS CB . 30590 1 449 . 1 . 1 34 34 LYS CG C 13 24.915 0.3 . 1 . . . . A 33 LYS CG . 30590 1 450 . 1 . 1 34 34 LYS CD C 13 28.968 0.3 . 1 . . . . A 33 LYS CD . 30590 1 451 . 1 . 1 34 34 LYS CE C 13 41.780 0.3 . 1 . . . . A 33 LYS CE . 30590 1 452 . 1 . 1 34 34 LYS N N 15 116.228 0.3 . 1 . . . . A 33 LYS N . 30590 1 453 . 1 . 1 35 35 GLU H H 1 8.742 0.020 . 1 . . . . A 34 GLU H . 30590 1 454 . 1 . 1 35 35 GLU HA H 1 4.688 0.020 . 1 . . . . A 34 GLU HA . 30590 1 455 . 1 . 1 35 35 GLU HB2 H 1 1.785 0.020 . 1 . . . . A 34 GLU HB2 . 30590 1 456 . 1 . 1 35 35 GLU HB3 H 1 1.785 0.020 . 1 . . . . A 34 GLU HB3 . 30590 1 457 . 1 . 1 35 35 GLU HG2 H 1 1.843 0.020 . 2 . . . . A 34 GLU HG2 . 30590 1 458 . 1 . 1 35 35 GLU HG3 H 1 2.327 0.020 . 2 . . . . A 34 GLU HG3 . 30590 1 459 . 1 . 1 35 35 GLU C C 13 177.571 0.3 . 1 . . . . A 34 GLU C . 30590 1 460 . 1 . 1 35 35 GLU CA C 13 55.003 0.3 . 1 . . . . A 34 GLU CA . 30590 1 461 . 1 . 1 35 35 GLU CB C 13 32.925 0.3 . 1 . . . . A 34 GLU CB . 30590 1 462 . 1 . 1 35 35 GLU CG C 13 35.792 0.3 . 1 . . . . A 34 GLU CG . 30590 1 463 . 1 . 1 35 35 GLU N N 15 114.230 0.3 . 1 . . . . A 34 GLU N . 30590 1 464 . 1 . 1 36 36 GLY H H 1 8.517 0.020 . 1 . . . . A 35 GLY H . 30590 1 465 . 1 . 1 36 36 GLY HA2 H 1 4.027 0.020 . 2 . . . . A 35 GLY HA2 . 30590 1 466 . 1 . 1 36 36 GLY HA3 H 1 4.244 0.020 . 2 . . . . A 35 GLY HA3 . 30590 1 467 . 1 . 1 36 36 GLY C C 13 173.702 0.3 . 1 . . . . A 35 GLY C . 30590 1 468 . 1 . 1 36 36 GLY CA C 13 45.729 0.3 . 1 . . . . A 35 GLY CA . 30590 1 469 . 1 . 1 36 36 GLY N N 15 109.134 0.3 . 1 . . . . A 35 GLY N . 30590 1 470 . 1 . 1 37 37 ILE H H 1 6.278 0.020 . 1 . . . . A 36 ILE H . 30590 1 471 . 1 . 1 37 37 ILE HA H 1 4.483 0.020 . 1 . . . . A 36 ILE HA . 30590 1 472 . 1 . 1 37 37 ILE HB H 1 1.537 0.020 . 1 . . . . A 36 ILE HB . 30590 1 473 . 1 . 1 37 37 ILE HG12 H 1 1.194 0.020 . 2 . . . . A 36 ILE HG12 . 30590 1 474 . 1 . 1 37 37 ILE HG13 H 1 1.474 0.020 . 2 . . . . A 36 ILE HG13 . 30590 1 475 . 1 . 1 37 37 ILE HG21 H 1 1.040 0.020 . 1 . . . . A 36 ILE HG21 . 30590 1 476 . 1 . 1 37 37 ILE HG22 H 1 1.040 0.020 . 1 . . . . A 36 ILE HG22 . 30590 1 477 . 1 . 1 37 37 ILE HG23 H 1 1.040 0.020 . 1 . . . . A 36 ILE HG23 . 30590 1 478 . 1 . 1 37 37 ILE HD11 H 1 0.864 0.020 . 1 . . . . A 36 ILE HD11 . 30590 1 479 . 1 . 1 37 37 ILE HD12 H 1 0.864 0.020 . 1 . . . . A 36 ILE HD12 . 30590 1 480 . 1 . 1 37 37 ILE HD13 H 1 0.864 0.020 . 1 . . . . A 36 ILE HD13 . 30590 1 481 . 1 . 1 37 37 ILE C C 13 173.048 0.3 . 1 . . . . A 36 ILE C . 30590 1 482 . 1 . 1 37 37 ILE CA C 13 57.531 0.3 . 1 . . . . A 36 ILE CA . 30590 1 483 . 1 . 1 37 37 ILE CB C 13 40.096 0.3 . 1 . . . . A 36 ILE CB . 30590 1 484 . 1 . 1 37 37 ILE CG1 C 13 26.701 0.3 . 1 . . . . A 36 ILE CG1 . 30590 1 485 . 1 . 1 37 37 ILE CG2 C 13 18.150 0.3 . 1 . . . . A 36 ILE CG2 . 30590 1 486 . 1 . 1 37 37 ILE CD1 C 13 13.075 0.3 . 1 . . . . A 36 ILE CD1 . 30590 1 487 . 1 . 1 37 37 ILE N N 15 120.784 0.3 . 1 . . . . A 36 ILE N . 30590 1 488 . 1 . 1 38 38 PRO HA H 1 4.578 0.020 . 1 . . . . A 37 PRO HA . 30590 1 489 . 1 . 1 38 38 PRO HB2 H 1 2.113 0.020 . 2 . . . . A 37 PRO HB2 . 30590 1 490 . 1 . 1 38 38 PRO HB3 H 1 2.517 0.020 . 2 . . . . A 37 PRO HB3 . 30590 1 491 . 1 . 1 38 38 PRO HG2 H 1 2.147 0.020 . 1 . . . . A 37 PRO HG2 . 30590 1 492 . 1 . 1 38 38 PRO HG3 H 1 2.147 0.020 . 1 . . . . A 37 PRO HG3 . 30590 1 493 . 1 . 1 38 38 PRO HD2 H 1 3.671 0.020 . 2 . . . . A 37 PRO HD2 . 30590 1 494 . 1 . 1 38 38 PRO HD3 H 1 4.286 0.020 . 2 . . . . A 37 PRO HD3 . 30590 1 495 . 1 . 1 38 38 PRO CA C 13 61.194 0.3 . 1 . . . . A 37 PRO CA . 30590 1 496 . 1 . 1 38 38 PRO CB C 13 31.379 0.3 . 1 . . . . A 37 PRO CB . 30590 1 497 . 1 . 1 38 38 PRO CG C 13 27.799 0.3 . 1 . . . . A 37 PRO CG . 30590 1 498 . 1 . 1 38 38 PRO CD C 13 50.793 0.3 . 1 . . . . A 37 PRO CD . 30590 1 499 . 1 . 1 39 39 PRO HA H 1 4.256 0.020 . 1 . . . . A 38 PRO HA . 30590 1 500 . 1 . 1 39 39 PRO HB2 H 1 2.126 0.020 . 2 . . . . A 38 PRO HB2 . 30590 1 501 . 1 . 1 39 39 PRO HB3 H 1 2.343 0.020 . 2 . . . . A 38 PRO HB3 . 30590 1 502 . 1 . 1 39 39 PRO HG2 H 1 1.771 0.020 . 2 . . . . A 38 PRO HG2 . 30590 1 503 . 1 . 1 39 39 PRO HG3 H 1 2.279 0.020 . 2 . . . . A 38 PRO HG3 . 30590 1 504 . 1 . 1 39 39 PRO HD2 H 1 3.867 0.020 . 1 . . . . A 38 PRO HD2 . 30590 1 505 . 1 . 1 39 39 PRO HD3 H 1 3.867 0.020 . 1 . . . . A 38 PRO HD3 . 30590 1 506 . 1 . 1 39 39 PRO C C 13 178.171 0.3 . 1 . . . . A 38 PRO C . 30590 1 507 . 1 . 1 39 39 PRO CA C 13 65.666 0.3 . 1 . . . . A 38 PRO CA . 30590 1 508 . 1 . 1 39 39 PRO CB C 13 32.371 0.3 . 1 . . . . A 38 PRO CB . 30590 1 509 . 1 . 1 39 39 PRO CG C 13 27.307 0.3 . 1 . . . . A 38 PRO CG . 30590 1 510 . 1 . 1 39 39 PRO CD C 13 50.764 0.3 . 1 . . . . A 38 PRO CD . 30590 1 511 . 1 . 1 40 40 ASP H H 1 8.571 0.020 . 1 . . . . A 39 ASP H . 30590 1 512 . 1 . 1 40 40 ASP HA H 1 4.504 0.020 . 1 . . . . A 39 ASP HA . 30590 1 513 . 1 . 1 40 40 ASP HB2 H 1 2.800 0.020 . 1 . . . . A 39 ASP HB2 . 30590 1 514 . 1 . 1 40 40 ASP HB3 H 1 2.800 0.020 . 1 . . . . A 39 ASP HB3 . 30590 1 515 . 1 . 1 40 40 ASP C C 13 176.700 0.3 . 1 . . . . A 39 ASP C . 30590 1 516 . 1 . 1 40 40 ASP CA C 13 55.407 0.3 . 1 . . . . A 39 ASP CA . 30590 1 517 . 1 . 1 40 40 ASP CB C 13 39.638 0.3 . 1 . . . . A 39 ASP CB . 30590 1 518 . 1 . 1 40 40 ASP N N 15 113.538 0.3 . 1 . . . . A 39 ASP N . 30590 1 519 . 1 . 1 41 41 GLN H H 1 7.804 0.020 . 1 . . . . A 40 GLN H . 30590 1 520 . 1 . 1 41 41 GLN HA H 1 4.566 0.020 . 1 . . . . A 40 GLN HA . 30590 1 521 . 1 . 1 41 41 GLN HB2 H 1 2.538 0.020 . 1 . . . . A 40 GLN HB2 . 30590 1 522 . 1 . 1 41 41 GLN HB3 H 1 2.538 0.020 . 1 . . . . A 40 GLN HB3 . 30590 1 523 . 1 . 1 41 41 GLN HG2 H 1 2.480 0.020 . 1 . . . . A 40 GLN HG2 . 30590 1 524 . 1 . 1 41 41 GLN HG3 H 1 2.480 0.020 . 1 . . . . A 40 GLN HG3 . 30590 1 525 . 1 . 1 41 41 GLN HE21 H 1 7.660 0.020 . 1 . . . . A 40 GLN HE21 . 30590 1 526 . 1 . 1 41 41 GLN HE22 H 1 6.776 0.020 . 1 . . . . A 40 GLN HE22 . 30590 1 527 . 1 . 1 41 41 GLN C C 13 174.643 0.3 . 1 . . . . A 40 GLN C . 30590 1 528 . 1 . 1 41 41 GLN CA C 13 55.104 0.3 . 1 . . . . A 40 GLN CA . 30590 1 529 . 1 . 1 41 41 GLN CB C 13 29.693 0.3 . 1 . . . . A 40 GLN CB . 30590 1 530 . 1 . 1 41 41 GLN CG C 13 33.193 0.3 . 1 . . . . A 40 GLN CG . 30590 1 531 . 1 . 1 41 41 GLN N N 15 117.364 0.3 . 1 . . . . A 40 GLN N . 30590 1 532 . 1 . 1 41 41 GLN NE2 N 15 110.975 0.3 . 1 . . . . A 40 GLN NE2 . 30590 1 533 . 1 . 1 42 42 GLN H H 1 7.432 0.020 . 1 . . . . A 41 GLN H . 30590 1 534 . 1 . 1 42 42 GLN HA H 1 4.280 0.020 . 1 . . . . A 41 GLN HA . 30590 1 535 . 1 . 1 42 42 GLN HB2 H 1 2.010 0.020 . 1 . . . . A 41 GLN HB2 . 30590 1 536 . 1 . 1 42 42 GLN HB3 H 1 2.010 0.020 . 1 . . . . A 41 GLN HB3 . 30590 1 537 . 1 . 1 42 42 GLN HG2 H 1 1.762 0.020 . 2 . . . . A 41 GLN HG2 . 30590 1 538 . 1 . 1 42 42 GLN HG3 H 1 2.649 0.020 . 2 . . . . A 41 GLN HG3 . 30590 1 539 . 1 . 1 42 42 GLN HE21 H 1 6.616 0.020 . 1 . . . . A 41 GLN HE21 . 30590 1 540 . 1 . 1 42 42 GLN HE22 H 1 6.143 0.020 . 1 . . . . A 41 GLN HE22 . 30590 1 541 . 1 . 1 42 42 GLN C C 13 175.511 0.3 . 1 . . . . A 41 GLN C . 30590 1 542 . 1 . 1 42 42 GLN CA C 13 54.681 0.3 . 1 . . . . A 41 GLN CA . 30590 1 543 . 1 . 1 42 42 GLN CB C 13 31.191 0.3 . 1 . . . . A 41 GLN CB . 30590 1 544 . 1 . 1 42 42 GLN CG C 13 33.011 0.3 . 1 . . . . A 41 GLN CG . 30590 1 545 . 1 . 1 42 42 GLN N N 15 117.484 0.3 . 1 . . . . A 41 GLN N . 30590 1 546 . 1 . 1 42 42 GLN NE2 N 15 104.059 0.3 . 1 . . . . A 41 GLN NE2 . 30590 1 547 . 1 . 1 43 43 ARG H H 1 7.817 0.020 . 1 . . . . A 42 ARG H . 30590 1 548 . 1 . 1 43 43 ARG HA H 1 4.646 0.020 . 1 . . . . A 42 ARG HA . 30590 1 549 . 1 . 1 43 43 ARG HB2 H 1 1.894 0.020 . 1 . . . . A 42 ARG HB2 . 30590 1 550 . 1 . 1 43 43 ARG HB3 H 1 1.894 0.020 . 1 . . . . A 42 ARG HB3 . 30590 1 551 . 1 . 1 43 43 ARG HG2 H 1 1.676 0.020 . 1 . . . . A 42 ARG HG2 . 30590 1 552 . 1 . 1 43 43 ARG HG3 H 1 1.676 0.020 . 1 . . . . A 42 ARG HG3 . 30590 1 553 . 1 . 1 43 43 ARG HD2 H 1 3.707 0.020 . 1 . . . . A 42 ARG HD2 . 30590 1 554 . 1 . 1 43 43 ARG HD3 H 1 3.707 0.020 . 1 . . . . A 42 ARG HD3 . 30590 1 555 . 1 . 1 43 43 ARG C C 13 173.496 0.3 . 1 . . . . A 42 ARG C . 30590 1 556 . 1 . 1 43 43 ARG CA C 13 54.997 0.3 . 1 . . . . A 42 ARG CA . 30590 1 557 . 1 . 1 43 43 ARG CB C 13 29.797 0.3 . 1 . . . . A 42 ARG CB . 30590 1 558 . 1 . 1 43 43 ARG CG C 13 26.670 0.3 . 1 . . . . A 42 ARG CG . 30590 1 559 . 1 . 1 43 43 ARG CD C 13 42.452 0.3 . 1 . . . . A 42 ARG CD . 30590 1 560 . 1 . 1 43 43 ARG N N 15 123.215 0.3 . 1 . . . . A 42 ARG N . 30590 1 561 . 1 . 1 44 44 LEU H H 1 8.774 0.020 . 1 . . . . A 43 LEU H . 30590 1 562 . 1 . 1 44 44 LEU HA H 1 5.447 0.020 . 1 . . . . A 43 LEU HA . 30590 1 563 . 1 . 1 44 44 LEU HB2 H 1 1.314 0.020 . 2 . . . . A 43 LEU HB2 . 30590 1 564 . 1 . 1 44 44 LEU HB3 H 1 1.663 0.020 . 2 . . . . A 43 LEU HB3 . 30590 1 565 . 1 . 1 44 44 LEU HG H 1 1.589 0.020 . 1 . . . . A 43 LEU HG . 30590 1 566 . 1 . 1 44 44 LEU HD11 H 1 0.922 0.020 . 1 . . . . A 43 LEU HD11 . 30590 1 567 . 1 . 1 44 44 LEU HD12 H 1 0.922 0.020 . 1 . . . . A 43 LEU HD12 . 30590 1 568 . 1 . 1 44 44 LEU HD13 H 1 0.922 0.020 . 1 . . . . A 43 LEU HD13 . 30590 1 569 . 1 . 1 44 44 LEU C C 13 175.472 0.3 . 1 . . . . A 43 LEU C . 30590 1 570 . 1 . 1 44 44 LEU CA C 13 53.223 0.3 . 1 . . . . A 43 LEU CA . 30590 1 571 . 1 . 1 44 44 LEU CB C 13 45.191 0.3 . 1 . . . . A 43 LEU CB . 30590 1 572 . 1 . 1 44 44 LEU CG C 13 26.700 0.3 . 1 . . . . A 43 LEU CG . 30590 1 573 . 1 . 1 44 44 LEU CD1 C 13 24.418 0.3 . 1 . . . . A 43 LEU CD1 . 30590 1 574 . 1 . 1 44 44 LEU N N 15 124.953 0.3 . 1 . . . . A 43 LEU N . 30590 1 575 . 1 . 1 45 45 ILE H H 1 9.490 0.020 . 1 . . . . A 44 ILE H . 30590 1 576 . 1 . 1 45 45 ILE HA H 1 5.038 0.020 . 1 . . . . A 44 ILE HA . 30590 1 577 . 1 . 1 45 45 ILE HB H 1 1.736 0.020 . 1 . . . . A 44 ILE HB . 30590 1 578 . 1 . 1 45 45 ILE HG12 H 1 1.126 0.020 . 2 . . . . A 44 ILE HG12 . 30590 1 579 . 1 . 1 45 45 ILE HG13 H 1 1.281 0.020 . 2 . . . . A 44 ILE HG13 . 30590 1 580 . 1 . 1 45 45 ILE HG21 H 1 0.686 0.020 . 1 . . . . A 44 ILE HG21 . 30590 1 581 . 1 . 1 45 45 ILE HG22 H 1 0.686 0.020 . 1 . . . . A 44 ILE HG22 . 30590 1 582 . 1 . 1 45 45 ILE HG23 H 1 0.686 0.020 . 1 . . . . A 44 ILE HG23 . 30590 1 583 . 1 . 1 45 45 ILE HD11 H 1 0.679 0.020 . 1 . . . . A 44 ILE HD11 . 30590 1 584 . 1 . 1 45 45 ILE HD12 H 1 0.679 0.020 . 1 . . . . A 44 ILE HD12 . 30590 1 585 . 1 . 1 45 45 ILE HD13 H 1 0.679 0.020 . 1 . . . . A 44 ILE HD13 . 30590 1 586 . 1 . 1 45 45 ILE C C 13 175.329 0.3 . 1 . . . . A 44 ILE C . 30590 1 587 . 1 . 1 45 45 ILE CA C 13 58.907 0.3 . 1 . . . . A 44 ILE CA . 30590 1 588 . 1 . 1 45 45 ILE CB C 13 41.149 0.3 . 1 . . . . A 44 ILE CB . 30590 1 589 . 1 . 1 45 45 ILE CG1 C 13 27.745 0.3 . 1 . . . . A 44 ILE CG1 . 30590 1 590 . 1 . 1 45 45 ILE CG2 C 13 17.874 0.3 . 1 . . . . A 44 ILE CG2 . 30590 1 591 . 1 . 1 45 45 ILE CD1 C 13 12.806 0.3 . 1 . . . . A 44 ILE CD1 . 30590 1 592 . 1 . 1 45 45 ILE N N 15 123.915 0.3 . 1 . . . . A 44 ILE N . 30590 1 593 . 1 . 1 46 46 PHE H H 1 8.820 0.020 . 1 . . . . A 45 PHE H . 30590 1 594 . 1 . 1 46 46 PHE HA H 1 5.035 0.020 . 1 . . . . A 45 PHE HA . 30590 1 595 . 1 . 1 46 46 PHE HB2 H 1 2.880 0.020 . 2 . . . . A 45 PHE HB2 . 30590 1 596 . 1 . 1 46 46 PHE HB3 H 1 3.123 0.020 . 2 . . . . A 45 PHE HB3 . 30590 1 597 . 1 . 1 46 46 PHE HD1 H 1 7.460 0.020 . 1 . . . . A 45 PHE HD1 . 30590 1 598 . 1 . 1 46 46 PHE HD2 H 1 7.460 0.020 . 1 . . . . A 45 PHE HD2 . 30590 1 599 . 1 . 1 46 46 PHE HE1 H 1 7.616 0.020 . 1 . . . . A 45 PHE HE1 . 30590 1 600 . 1 . 1 46 46 PHE HE2 H 1 7.616 0.020 . 1 . . . . A 45 PHE HE2 . 30590 1 601 . 1 . 1 46 46 PHE HZ H 1 7.670 0.020 . 1 . . . . A 45 PHE HZ . 30590 1 602 . 1 . 1 46 46 PHE C C 13 174.101 0.3 . 1 . . . . A 45 PHE C . 30590 1 603 . 1 . 1 46 46 PHE CA C 13 56.866 0.3 . 1 . . . . A 45 PHE CA . 30590 1 604 . 1 . 1 46 46 PHE CB C 13 43.681 0.3 . 1 . . . . A 45 PHE CB . 30590 1 605 . 1 . 1 46 46 PHE CD1 C 13 132.134 0.3 . 1 . . . . A 45 PHE CD1 . 30590 1 606 . 1 . 1 46 46 PHE CE1 C 13 132.299 0.3 . 1 . . . . A 45 PHE CE1 . 30590 1 607 . 1 . 1 46 46 PHE CZ C 13 130.119 0.3 . 1 . . . . A 45 PHE CZ . 30590 1 608 . 1 . 1 46 46 PHE N N 15 125.561 0.3 . 1 . . . . A 45 PHE N . 30590 1 609 . 1 . 1 47 47 ALA H H 1 8.681 0.020 . 1 . . . . A 46 ALA H . 30590 1 610 . 1 . 1 47 47 ALA HA H 1 3.685 0.020 . 1 . . . . A 46 ALA HA . 30590 1 611 . 1 . 1 47 47 ALA HB1 H 1 0.991 0.020 . 1 . . . . A 46 ALA HB1 . 30590 1 612 . 1 . 1 47 47 ALA HB2 H 1 0.991 0.020 . 1 . . . . A 46 ALA HB2 . 30590 1 613 . 1 . 1 47 47 ALA HB3 H 1 0.991 0.020 . 1 . . . . A 46 ALA HB3 . 30590 1 614 . 1 . 1 47 47 ALA C C 13 176.876 0.3 . 1 . . . . A 46 ALA C . 30590 1 615 . 1 . 1 47 47 ALA CA C 13 52.364 0.3 . 1 . . . . A 46 ALA CA . 30590 1 616 . 1 . 1 47 47 ALA CB C 13 16.396 0.3 . 1 . . . . A 46 ALA CB . 30590 1 617 . 1 . 1 47 47 ALA N N 15 131.731 0.3 . 1 . . . . A 46 ALA N . 30590 1 618 . 1 . 1 48 48 GLY H H 1 8.280 0.020 . 1 . . . . A 47 GLY H . 30590 1 619 . 1 . 1 48 48 GLY HA2 H 1 3.490 0.020 . 2 . . . . A 47 GLY HA2 . 30590 1 620 . 1 . 1 48 48 GLY HA3 H 1 4.029 0.020 . 2 . . . . A 47 GLY HA3 . 30590 1 621 . 1 . 1 48 48 GLY C C 13 173.160 0.3 . 1 . . . . A 47 GLY C . 30590 1 622 . 1 . 1 48 48 GLY CA C 13 45.444 0.3 . 1 . . . . A 47 GLY CA . 30590 1 623 . 1 . 1 48 48 GLY N N 15 102.549 0.3 . 1 . . . . A 47 GLY N . 30590 1 624 . 1 . 1 49 49 LYS H H 1 7.859 0.020 . 1 . . . . A 48 LYS H . 30590 1 625 . 1 . 1 49 49 LYS HA H 1 4.344 0.020 . 1 . . . . A 48 LYS HA . 30590 1 626 . 1 . 1 49 49 LYS HB2 H 1 1.602 0.020 . 1 . . . . A 48 LYS HB2 . 30590 1 627 . 1 . 1 49 49 LYS HB3 H 1 1.602 0.020 . 1 . . . . A 48 LYS HB3 . 30590 1 628 . 1 . 1 49 49 LYS HG2 H 1 1.529 0.020 . 1 . . . . A 48 LYS HG2 . 30590 1 629 . 1 . 1 49 49 LYS HG3 H 1 1.529 0.020 . 1 . . . . A 48 LYS HG3 . 30590 1 630 . 1 . 1 49 49 LYS HD2 H 1 1.881 0.020 . 1 . . . . A 48 LYS HD2 . 30590 1 631 . 1 . 1 49 49 LYS HD3 H 1 1.881 0.020 . 1 . . . . A 48 LYS HD3 . 30590 1 632 . 1 . 1 49 49 LYS HE2 H 1 3.098 0.020 . 1 . . . . A 48 LYS HE2 . 30590 1 633 . 1 . 1 49 49 LYS HE3 H 1 3.098 0.020 . 1 . . . . A 48 LYS HE3 . 30590 1 634 . 1 . 1 49 49 LYS C C 13 174.260 0.3 . 1 . . . . A 48 LYS C . 30590 1 635 . 1 . 1 49 49 LYS CA C 13 54.120 0.3 . 1 . . . . A 48 LYS CA . 30590 1 636 . 1 . 1 49 49 LYS CB C 13 34.565 0.3 . 1 . . . . A 48 LYS CB . 30590 1 637 . 1 . 1 49 49 LYS CG C 13 24.066 0.3 . 1 . . . . A 48 LYS CG . 30590 1 638 . 1 . 1 49 49 LYS CD C 13 28.774 0.3 . 1 . . . . A 48 LYS CD . 30590 1 639 . 1 . 1 49 49 LYS CE C 13 42.577 0.3 . 1 . . . . A 48 LYS CE . 30590 1 640 . 1 . 1 49 49 LYS N N 15 119.144 0.3 . 1 . . . . A 48 LYS N . 30590 1 641 . 1 . 1 50 50 GLN H H 1 8.651 0.020 . 1 . . . . A 49 GLN H . 30590 1 642 . 1 . 1 50 50 GLN HA H 1 4.731 0.020 . 1 . . . . A 49 GLN HA . 30590 1 643 . 1 . 1 50 50 GLN HB2 H 1 1.939 0.020 . 1 . . . . A 49 GLN HB2 . 30590 1 644 . 1 . 1 50 50 GLN HB3 H 1 1.939 0.020 . 1 . . . . A 49 GLN HB3 . 30590 1 645 . 1 . 1 50 50 GLN HG2 H 1 2.176 0.020 . 2 . . . . A 49 GLN HG2 . 30590 1 646 . 1 . 1 50 50 GLN HG3 H 1 2.276 0.020 . 2 . . . . A 49 GLN HG3 . 30590 1 647 . 1 . 1 50 50 GLN HE21 H 1 7.262 0.020 . 1 . . . . A 49 GLN HE21 . 30590 1 648 . 1 . 1 50 50 GLN HE22 H 1 6.823 0.020 . 1 . . . . A 49 GLN HE22 . 30590 1 649 . 1 . 1 50 50 GLN C C 13 175.560 0.3 . 1 . . . . A 49 GLN C . 30590 1 650 . 1 . 1 50 50 GLN CA C 13 55.628 0.3 . 1 . . . . A 49 GLN CA . 30590 1 651 . 1 . 1 50 50 GLN CB C 13 27.601 0.3 . 1 . . . . A 49 GLN CB . 30590 1 652 . 1 . 1 50 50 GLN CG C 13 33.919 0.3 . 1 . . . . A 49 GLN CG . 30590 1 653 . 1 . 1 50 50 GLN N N 15 122.914 0.3 . 1 . . . . A 49 GLN N . 30590 1 654 . 1 . 1 50 50 GLN NE2 N 15 110.109 0.3 . 1 . . . . A 49 GLN NE2 . 30590 1 655 . 1 . 1 51 51 LEU H H 1 8.631 0.020 . 1 . . . . A 50 LEU H . 30590 1 656 . 1 . 1 51 51 LEU HA H 1 4.176 0.020 . 1 . . . . A 50 LEU HA . 30590 1 657 . 1 . 1 51 51 LEU HB2 H 1 1.168 0.020 . 2 . . . . A 50 LEU HB2 . 30590 1 658 . 1 . 1 51 51 LEU HB3 H 1 1.572 0.020 . 2 . . . . A 50 LEU HB3 . 30590 1 659 . 1 . 1 51 51 LEU HG H 1 1.533 0.020 . 1 . . . . A 50 LEU HG . 30590 1 660 . 1 . 1 51 51 LEU HD11 H 1 0.614 0.020 . 2 . . . . A 50 LEU HD11 . 30590 1 661 . 1 . 1 51 51 LEU HD12 H 1 0.614 0.020 . 2 . . . . A 50 LEU HD12 . 30590 1 662 . 1 . 1 51 51 LEU HD13 H 1 0.614 0.020 . 2 . . . . A 50 LEU HD13 . 30590 1 663 . 1 . 1 51 51 LEU HD21 H 1 -0.037 0.020 . 2 . . . . A 50 LEU HD21 . 30590 1 664 . 1 . 1 51 51 LEU HD22 H 1 -0.037 0.020 . 2 . . . . A 50 LEU HD22 . 30590 1 665 . 1 . 1 51 51 LEU HD23 H 1 -0.037 0.020 . 2 . . . . A 50 LEU HD23 . 30590 1 666 . 1 . 1 51 51 LEU C C 13 176.529 0.3 . 1 . . . . A 50 LEU C . 30590 1 667 . 1 . 1 51 51 LEU CA C 13 54.293 0.3 . 1 . . . . A 50 LEU CA . 30590 1 668 . 1 . 1 51 51 LEU CB C 13 40.940 0.3 . 1 . . . . A 50 LEU CB . 30590 1 669 . 1 . 1 51 51 LEU CG C 13 25.359 0.3 . 1 . . . . A 50 LEU CG . 30590 1 670 . 1 . 1 51 51 LEU CD1 C 13 25.573 0.3 . 1 . . . . A 50 LEU CD1 . 30590 1 671 . 1 . 1 51 51 LEU CD2 C 13 19.395 0.3 . 1 . . . . A 50 LEU CD2 . 30590 1 672 . 1 . 1 51 51 LEU N N 15 125.920 0.3 . 1 . . . . A 50 LEU N . 30590 1 673 . 1 . 1 52 52 GLU H H 1 8.396 0.020 . 1 . . . . A 51 GLU H . 30590 1 674 . 1 . 1 52 52 GLU HA H 1 4.573 0.020 . 1 . . . . A 51 GLU HA . 30590 1 675 . 1 . 1 52 52 GLU HB2 H 1 2.095 0.020 . 1 . . . . A 51 GLU HB2 . 30590 1 676 . 1 . 1 52 52 GLU HB3 H 1 2.095 0.020 . 1 . . . . A 51 GLU HB3 . 30590 1 677 . 1 . 1 52 52 GLU HG2 H 1 2.425 0.020 . 2 . . . . A 51 GLU HG2 . 30590 1 678 . 1 . 1 52 52 GLU HG3 H 1 2.521 0.020 . 2 . . . . A 51 GLU HG3 . 30590 1 679 . 1 . 1 52 52 GLU C C 13 175.302 0.3 . 1 . . . . A 51 GLU C . 30590 1 680 . 1 . 1 52 52 GLU CA C 13 55.715 0.3 . 1 . . . . A 51 GLU CA . 30590 1 681 . 1 . 1 52 52 GLU CB C 13 31.891 0.3 . 1 . . . . A 51 GLU CB . 30590 1 682 . 1 . 1 52 52 GLU CG C 13 36.313 0.3 . 1 . . . . A 51 GLU CG . 30590 1 683 . 1 . 1 52 52 GLU N N 15 123.245 0.3 . 1 . . . . A 51 GLU N . 30590 1 684 . 1 . 1 53 53 ASP H H 1 8.220 0.020 . 1 . . . . A 52 ASP H . 30590 1 685 . 1 . 1 53 53 ASP HA H 1 4.478 0.020 . 1 . . . . A 52 ASP HA . 30590 1 686 . 1 . 1 53 53 ASP HB2 H 1 2.717 0.020 . 1 . . . . A 52 ASP HB2 . 30590 1 687 . 1 . 1 53 53 ASP HB3 H 1 2.717 0.020 . 1 . . . . A 52 ASP HB3 . 30590 1 688 . 1 . 1 53 53 ASP C C 13 177.302 0.3 . 1 . . . . A 52 ASP C . 30590 1 689 . 1 . 1 53 53 ASP CA C 13 56.662 0.3 . 1 . . . . A 52 ASP CA . 30590 1 690 . 1 . 1 53 53 ASP CB C 13 40.735 0.3 . 1 . . . . A 52 ASP CB . 30590 1 691 . 1 . 1 53 53 ASP N N 15 120.752 0.3 . 1 . . . . A 52 ASP N . 30590 1 692 . 1 . 1 54 54 GLY H H 1 9.513 0.020 . 1 . . . . A 53 GLY H . 30590 1 693 . 1 . 1 54 54 GLY HA2 H 1 4.205 0.020 . 1 . . . . A 53 GLY HA2 . 30590 1 694 . 1 . 1 54 54 GLY HA3 H 1 4.205 0.020 . 1 . . . . A 53 GLY HA3 . 30590 1 695 . 1 . 1 54 54 GLY CA C 13 44.982 0.3 . 1 . . . . A 53 GLY CA . 30590 1 696 . 1 . 1 54 54 GLY N N 15 107.415 0.3 . 1 . . . . A 53 GLY N . 30590 1 697 . 1 . 1 55 55 ARG H H 1 7.525 0.020 . 1 . . . . A 54 ARG H . 30590 1 698 . 1 . 1 55 55 ARG HA H 1 4.774 0.020 . 1 . . . . A 54 ARG HA . 30590 1 699 . 1 . 1 55 55 ARG HB2 H 1 2.154 0.020 . 2 . . . . A 54 ARG HB2 . 30590 1 700 . 1 . 1 55 55 ARG HB3 H 1 2.354 0.020 . 2 . . . . A 54 ARG HB3 . 30590 1 701 . 1 . 1 55 55 ARG HG2 H 1 1.718 0.020 . 2 . . . . A 54 ARG HG2 . 30590 1 702 . 1 . 1 55 55 ARG HG3 H 1 1.925 0.020 . 2 . . . . A 54 ARG HG3 . 30590 1 703 . 1 . 1 55 55 ARG HD2 H 1 3.171 0.020 . 2 . . . . A 54 ARG HD2 . 30590 1 704 . 1 . 1 55 55 ARG HD3 H 1 3.235 0.020 . 2 . . . . A 54 ARG HD3 . 30590 1 705 . 1 . 1 55 55 ARG C C 13 175.042 0.3 . 1 . . . . A 54 ARG C . 30590 1 706 . 1 . 1 55 55 ARG CA C 13 54.142 0.3 . 1 . . . . A 54 ARG CA . 30590 1 707 . 1 . 1 55 55 ARG CB C 13 32.337 0.3 . 1 . . . . A 54 ARG CB . 30590 1 708 . 1 . 1 55 55 ARG CG C 13 27.253 0.3 . 1 . . . . A 54 ARG CG . 30590 1 709 . 1 . 1 55 55 ARG CD C 13 42.208 0.3 . 1 . . . . A 54 ARG CD . 30590 1 710 . 1 . 1 55 55 ARG N N 15 119.355 0.3 . 1 . . . . A 54 ARG N . 30590 1 711 . 1 . 1 56 56 THR H H 1 8.900 0.020 . 1 . . . . A 55 THR H . 30590 1 712 . 1 . 1 56 56 THR HA H 1 5.329 0.020 . 1 . . . . A 55 THR HA . 30590 1 713 . 1 . 1 56 56 THR HB H 1 4.611 0.020 . 1 . . . . A 55 THR HB . 30590 1 714 . 1 . 1 56 56 THR HG21 H 1 1.253 0.020 . 1 . . . . A 55 THR HG21 . 30590 1 715 . 1 . 1 56 56 THR HG22 H 1 1.253 0.020 . 1 . . . . A 55 THR HG22 . 30590 1 716 . 1 . 1 56 56 THR HG23 H 1 1.253 0.020 . 1 . . . . A 55 THR HG23 . 30590 1 717 . 1 . 1 56 56 THR C C 13 176.190 0.3 . 1 . . . . A 55 THR C . 30590 1 718 . 1 . 1 56 56 THR CA C 13 59.618 0.3 . 1 . . . . A 55 THR CA . 30590 1 719 . 1 . 1 56 56 THR CB C 13 72.127 0.3 . 1 . . . . A 55 THR CB . 30590 1 720 . 1 . 1 56 56 THR CG2 C 13 22.010 0.3 . 1 . . . . A 55 THR CG2 . 30590 1 721 . 1 . 1 56 56 THR N N 15 109.020 0.3 . 1 . . . . A 55 THR N . 30590 1 722 . 1 . 1 57 57 LEU H H 1 8.319 0.020 . 1 . . . . A 56 LEU H . 30590 1 723 . 1 . 1 57 57 LEU HA H 1 4.158 0.020 . 1 . . . . A 56 LEU HA . 30590 1 724 . 1 . 1 57 57 LEU HB2 H 1 1.325 0.020 . 2 . . . . A 56 LEU HB2 . 30590 1 725 . 1 . 1 57 57 LEU HB3 H 1 2.169 0.020 . 2 . . . . A 56 LEU HB3 . 30590 1 726 . 1 . 1 57 57 LEU HG H 1 1.866 0.020 . 1 . . . . A 56 LEU HG . 30590 1 727 . 1 . 1 57 57 LEU HD11 H 1 0.894 0.020 . 2 . . . . A 56 LEU HD11 . 30590 1 728 . 1 . 1 57 57 LEU HD12 H 1 0.894 0.020 . 2 . . . . A 56 LEU HD12 . 30590 1 729 . 1 . 1 57 57 LEU HD13 H 1 0.894 0.020 . 2 . . . . A 56 LEU HD13 . 30590 1 730 . 1 . 1 57 57 LEU HD21 H 1 0.735 0.020 . 2 . . . . A 56 LEU HD21 . 30590 1 731 . 1 . 1 57 57 LEU HD22 H 1 0.735 0.020 . 2 . . . . A 56 LEU HD22 . 30590 1 732 . 1 . 1 57 57 LEU HD23 H 1 0.735 0.020 . 2 . . . . A 56 LEU HD23 . 30590 1 733 . 1 . 1 57 57 LEU C C 13 180.337 0.3 . 1 . . . . A 56 LEU C . 30590 1 734 . 1 . 1 57 57 LEU CA C 13 58.495 0.3 . 1 . . . . A 56 LEU CA . 30590 1 735 . 1 . 1 57 57 LEU CB C 13 40.064 0.3 . 1 . . . . A 56 LEU CB . 30590 1 736 . 1 . 1 57 57 LEU CG C 13 26.337 0.3 . 1 . . . . A 56 LEU CG . 30590 1 737 . 1 . 1 57 57 LEU CD1 C 13 26.367 0.3 . 1 . . . . A 56 LEU CD1 . 30590 1 738 . 1 . 1 57 57 LEU CD2 C 13 22.736 0.3 . 1 . . . . A 56 LEU CD2 . 30590 1 739 . 1 . 1 57 57 LEU N N 15 118.152 0.3 . 1 . . . . A 56 LEU N . 30590 1 740 . 1 . 1 58 58 SER H H 1 8.417 0.020 . 1 . . . . A 57 SER H . 30590 1 741 . 1 . 1 58 58 SER HA H 1 4.375 0.020 . 1 . . . . A 57 SER HA . 30590 1 742 . 1 . 1 58 58 SER HB2 H 1 3.880 0.020 . 2 . . . . A 57 SER HB2 . 30590 1 743 . 1 . 1 58 58 SER HB3 H 1 3.966 0.020 . 2 . . . . A 57 SER HB3 . 30590 1 744 . 1 . 1 58 58 SER C C 13 177.737 0.3 . 1 . . . . A 57 SER C . 30590 1 745 . 1 . 1 58 58 SER CA C 13 60.916 0.3 . 1 . . . . A 57 SER CA . 30590 1 746 . 1 . 1 58 58 SER CB C 13 62.514 0.3 . 1 . . . . A 57 SER CB . 30590 1 747 . 1 . 1 58 58 SER N N 15 113.289 0.3 . 1 . . . . A 57 SER N . 30590 1 748 . 1 . 1 59 59 ASP H H 1 8.000 0.020 . 1 . . . . A 58 ASP H . 30590 1 749 . 1 . 1 59 59 ASP HA H 1 4.396 0.020 . 1 . . . . A 58 ASP HA . 30590 1 750 . 1 . 1 59 59 ASP HB2 H 1 2.378 0.020 . 2 . . . . A 58 ASP HB2 . 30590 1 751 . 1 . 1 59 59 ASP HB3 H 1 3.065 0.020 . 2 . . . . A 58 ASP HB3 . 30590 1 752 . 1 . 1 59 59 ASP C C 13 177.067 0.3 . 1 . . . . A 58 ASP C . 30590 1 753 . 1 . 1 59 59 ASP CA C 13 57.180 0.3 . 1 . . . . A 58 ASP CA . 30590 1 754 . 1 . 1 59 59 ASP CB C 13 40.207 0.3 . 1 . . . . A 58 ASP CB . 30590 1 755 . 1 . 1 59 59 ASP N N 15 124.551 0.3 . 1 . . . . A 58 ASP N . 30590 1 756 . 1 . 1 60 60 TYR H H 1 7.363 0.020 . 1 . . . . A 59 TYR H . 30590 1 757 . 1 . 1 60 60 TYR HA H 1 4.776 0.020 . 1 . . . . A 59 TYR HA . 30590 1 758 . 1 . 1 60 60 TYR HB2 H 1 2.632 0.020 . 2 . . . . A 59 TYR HB2 . 30590 1 759 . 1 . 1 60 60 TYR HB3 H 1 3.571 0.020 . 2 . . . . A 59 TYR HB3 . 30590 1 760 . 1 . 1 60 60 TYR HD1 H 1 7.374 0.020 . 1 . . . . A 59 TYR HD1 . 30590 1 761 . 1 . 1 60 60 TYR HD2 H 1 7.374 0.020 . 1 . . . . A 59 TYR HD2 . 30590 1 762 . 1 . 1 60 60 TYR HE1 H 1 7.007 0.020 . 1 . . . . A 59 TYR HE1 . 30590 1 763 . 1 . 1 60 60 TYR HE2 H 1 7.007 0.020 . 1 . . . . A 59 TYR HE2 . 30590 1 764 . 1 . 1 60 60 TYR C C 13 174.340 0.3 . 1 . . . . A 59 TYR C . 30590 1 765 . 1 . 1 60 60 TYR CA C 13 57.901 0.3 . 1 . . . . A 59 TYR CA . 30590 1 766 . 1 . 1 60 60 TYR CB C 13 39.726 0.3 . 1 . . . . A 59 TYR CB . 30590 1 767 . 1 . 1 60 60 TYR CD1 C 13 133.638 0.3 . 1 . . . . A 59 TYR CD1 . 30590 1 768 . 1 . 1 60 60 TYR CE1 C 13 118.820 0.3 . 1 . . . . A 59 TYR CE1 . 30590 1 769 . 1 . 1 60 60 TYR N N 15 115.822 0.3 . 1 . . . . A 59 TYR N . 30590 1 770 . 1 . 1 61 61 ASN H H 1 8.213 0.020 . 1 . . . . A 60 ASN H . 30590 1 771 . 1 . 1 61 61 ASN HA H 1 4.454 0.020 . 1 . . . . A 60 ASN HA . 30590 1 772 . 1 . 1 61 61 ASN HB2 H 1 2.937 0.020 . 2 . . . . A 60 ASN HB2 . 30590 1 773 . 1 . 1 61 61 ASN HB3 H 1 3.419 0.020 . 2 . . . . A 60 ASN HB3 . 30590 1 774 . 1 . 1 61 61 ASN HD21 H 1 7.566 0.020 . 1 . . . . A 60 ASN HD21 . 30590 1 775 . 1 . 1 61 61 ASN HD22 H 1 6.859 0.020 . 1 . . . . A 60 ASN HD22 . 30590 1 776 . 1 . 1 61 61 ASN C C 13 173.830 0.3 . 1 . . . . A 60 ASN C . 30590 1 777 . 1 . 1 61 61 ASN CA C 13 54.116 0.3 . 1 . . . . A 60 ASN CA . 30590 1 778 . 1 . 1 61 61 ASN CB C 13 37.121 0.3 . 1 . . . . A 60 ASN CB . 30590 1 779 . 1 . 1 61 61 ASN N N 15 115.717 0.3 . 1 . . . . A 60 ASN N . 30590 1 780 . 1 . 1 61 61 ASN ND2 N 15 111.287 0.3 . 1 . . . . A 60 ASN ND2 . 30590 1 781 . 1 . 1 62 62 ILE H H 1 7.342 0.020 . 1 . . . . A 61 ILE H . 30590 1 782 . 1 . 1 62 62 ILE HA H 1 3.498 0.020 . 1 . . . . A 61 ILE HA . 30590 1 783 . 1 . 1 62 62 ILE HB H 1 1.491 0.020 . 1 . . . . A 61 ILE HB . 30590 1 784 . 1 . 1 62 62 ILE HG12 H 1 -0.221 0.020 . 2 . . . . A 61 ILE HG12 . 30590 1 785 . 1 . 1 62 62 ILE HG13 H 1 1.172 0.020 . 2 . . . . A 61 ILE HG13 . 30590 1 786 . 1 . 1 62 62 ILE HG21 H 1 0.620 0.020 . 1 . . . . A 61 ILE HG21 . 30590 1 787 . 1 . 1 62 62 ILE HG22 H 1 0.620 0.020 . 1 . . . . A 61 ILE HG22 . 30590 1 788 . 1 . 1 62 62 ILE HG23 H 1 0.620 0.020 . 1 . . . . A 61 ILE HG23 . 30590 1 789 . 1 . 1 62 62 ILE HD11 H 1 0.491 0.020 . 1 . . . . A 61 ILE HD11 . 30590 1 790 . 1 . 1 62 62 ILE HD12 H 1 0.491 0.020 . 1 . . . . A 61 ILE HD12 . 30590 1 791 . 1 . 1 62 62 ILE HD13 H 1 0.491 0.020 . 1 . . . . A 61 ILE HD13 . 30590 1 792 . 1 . 1 62 62 ILE C C 13 174.101 0.3 . 1 . . . . A 61 ILE C . 30590 1 793 . 1 . 1 62 62 ILE CA C 13 62.232 0.3 . 1 . . . . A 61 ILE CA . 30590 1 794 . 1 . 1 62 62 ILE CB C 13 36.615 0.3 . 1 . . . . A 61 ILE CB . 30590 1 795 . 1 . 1 62 62 ILE CG1 C 13 28.161 0.3 . 1 . . . . A 61 ILE CG1 . 30590 1 796 . 1 . 1 62 62 ILE CG2 C 13 17.216 0.3 . 1 . . . . A 61 ILE CG2 . 30590 1 797 . 1 . 1 62 62 ILE CD1 C 13 13.891 0.3 . 1 . . . . A 61 ILE CD1 . 30590 1 798 . 1 . 1 62 62 ILE N N 15 119.372 0.3 . 1 . . . . A 61 ILE N . 30590 1 799 . 1 . 1 63 63 GLN H H 1 7.877 0.020 . 1 . . . . A 62 GLN H . 30590 1 800 . 1 . 1 63 63 GLN HA H 1 4.646 0.020 . 1 . . . . A 62 GLN HA . 30590 1 801 . 1 . 1 63 63 GLN HB2 H 1 1.984 0.020 . 1 . . . . A 62 GLN HB2 . 30590 1 802 . 1 . 1 63 63 GLN HB3 H 1 1.984 0.020 . 1 . . . . A 62 GLN HB3 . 30590 1 803 . 1 . 1 63 63 GLN HG2 H 1 2.428 0.020 . 1 . . . . A 62 GLN HG2 . 30590 1 804 . 1 . 1 63 63 GLN HG3 H 1 2.428 0.020 . 1 . . . . A 62 GLN HG3 . 30590 1 805 . 1 . 1 63 63 GLN HE21 H 1 7.339 0.020 . 1 . . . . A 62 GLN HE21 . 30590 1 806 . 1 . 1 63 63 GLN HE22 H 1 6.846 0.020 . 1 . . . . A 62 GLN HE22 . 30590 1 807 . 1 . 1 63 63 GLN C C 13 175.026 0.3 . 1 . . . . A 62 GLN C . 30590 1 808 . 1 . 1 63 63 GLN CA C 13 53.625 0.3 . 1 . . . . A 62 GLN CA . 30590 1 809 . 1 . 1 63 63 GLN CB C 13 31.623 0.3 . 1 . . . . A 62 GLN CB . 30590 1 810 . 1 . 1 63 63 GLN CG C 13 33.083 0.3 . 1 . . . . A 62 GLN CG . 30590 1 811 . 1 . 1 63 63 GLN N N 15 125.059 0.3 . 1 . . . . A 62 GLN N . 30590 1 812 . 1 . 1 63 63 GLN NE2 N 15 111.942 0.3 . 1 . . . . A 62 GLN NE2 . 30590 1 813 . 1 . 1 64 64 LYS H H 1 8.377 0.020 . 1 . . . . A 63 LYS H . 30590 1 814 . 1 . 1 64 64 LYS HA H 1 4.069 0.020 . 1 . . . . A 63 LYS HA . 30590 1 815 . 1 . 1 64 64 LYS HB2 H 1 1.991 0.020 . 2 . . . . A 63 LYS HB2 . 30590 1 816 . 1 . 1 64 64 LYS HB3 H 1 2.329 0.020 . 2 . . . . A 63 LYS HB3 . 30590 1 817 . 1 . 1 64 64 LYS HG2 H 1 1.655 0.020 . 1 . . . . A 63 LYS HG2 . 30590 1 818 . 1 . 1 64 64 LYS HG3 H 1 1.655 0.020 . 1 . . . . A 63 LYS HG3 . 30590 1 819 . 1 . 1 64 64 LYS HD2 H 1 1.683 0.020 . 1 . . . . A 63 LYS HD2 . 30590 1 820 . 1 . 1 64 64 LYS HD3 H 1 1.683 0.020 . 1 . . . . A 63 LYS HD3 . 30590 1 821 . 1 . 1 64 64 LYS HE3 H 1 2.936 0.020 . 1 . . . . A 63 LYS HE3 . 30590 1 822 . 1 . 1 64 64 LYS C C 13 176.015 0.3 . 1 . . . . A 63 LYS C . 30590 1 823 . 1 . 1 64 64 LYS CA C 13 58.220 0.3 . 1 . . . . A 63 LYS CA . 30590 1 824 . 1 . 1 64 64 LYS CB C 13 32.046 0.3 . 1 . . . . A 63 LYS CB . 30590 1 825 . 1 . 1 64 64 LYS CG C 13 24.180 0.3 . 1 . . . . A 63 LYS CG . 30590 1 826 . 1 . 1 64 64 LYS CD C 13 29.339 0.3 . 1 . . . . A 63 LYS CD . 30590 1 827 . 1 . 1 64 64 LYS CE C 13 41.613 0.3 . 1 . . . . A 63 LYS CE . 30590 1 828 . 1 . 1 64 64 LYS N N 15 120.053 0.3 . 1 . . . . A 63 LYS N . 30590 1 829 . 1 . 1 65 65 GLU H H 1 9.255 0.020 . 1 . . . . A 64 GLU H . 30590 1 830 . 1 . 1 65 65 GLU HA H 1 3.551 0.020 . 1 . . . . A 64 GLU HA . 30590 1 831 . 1 . 1 65 65 GLU HB2 H 1 2.516 0.020 . 2 . . . . A 64 GLU HB2 . 30590 1 832 . 1 . 1 65 65 GLU HB3 H 1 2.612 0.020 . 2 . . . . A 64 GLU HB3 . 30590 1 833 . 1 . 1 65 65 GLU HG2 H 1 2.345 0.020 . 1 . . . . A 64 GLU HG2 . 30590 1 834 . 1 . 1 65 65 GLU HG3 H 1 2.345 0.020 . 1 . . . . A 64 GLU HG3 . 30590 1 835 . 1 . 1 65 65 GLU C C 13 174.978 0.3 . 1 . . . . A 64 GLU C . 30590 1 836 . 1 . 1 65 65 GLU CA C 13 58.591 0.3 . 1 . . . . A 64 GLU CA . 30590 1 837 . 1 . 1 65 65 GLU CB C 13 26.422 0.3 . 1 . . . . A 64 GLU CB . 30590 1 838 . 1 . 1 65 65 GLU CG C 13 37.367 0.3 . 1 . . . . A 64 GLU CG . 30590 1 839 . 1 . 1 65 65 GLU N N 15 116.073 0.3 . 1 . . . . A 64 GLU N . 30590 1 840 . 1 . 1 66 66 SER H H 1 8.005 0.020 . 1 . . . . A 65 SER H . 30590 1 841 . 1 . 1 66 66 SER HA H 1 4.657 0.020 . 1 . . . . A 65 SER HA . 30590 1 842 . 1 . 1 66 66 SER HB2 H 1 3.838 0.020 . 2 . . . . A 65 SER HB2 . 30590 1 843 . 1 . 1 66 66 SER HB3 H 1 3.954 0.020 . 2 . . . . A 65 SER HB3 . 30590 1 844 . 1 . 1 66 66 SER C C 13 171.060 0.3 . 1 . . . . A 65 SER C . 30590 1 845 . 1 . 1 66 66 SER CA C 13 60.794 0.3 . 1 . . . . A 65 SER CA . 30590 1 846 . 1 . 1 66 66 SER CB C 13 64.733 0.3 . 1 . . . . A 65 SER CB . 30590 1 847 . 1 . 1 66 66 SER N N 15 115.844 0.3 . 1 . . . . A 65 SER N . 30590 1 848 . 1 . 1 67 67 ALA H H 1 8.541 0.020 . 1 . . . . A 66 ALA H . 30590 1 849 . 1 . 1 67 67 ALA HA H 1 5.722 0.020 . 1 . . . . A 66 ALA HA . 30590 1 850 . 1 . 1 67 67 ALA HB1 H 1 1.585 0.020 . 1 . . . . A 66 ALA HB1 . 30590 1 851 . 1 . 1 67 67 ALA HB2 H 1 1.585 0.020 . 1 . . . . A 66 ALA HB2 . 30590 1 852 . 1 . 1 67 67 ALA HB3 H 1 1.585 0.020 . 1 . . . . A 66 ALA HB3 . 30590 1 853 . 1 . 1 67 67 ALA C C 13 176.429 0.3 . 1 . . . . A 66 ALA C . 30590 1 854 . 1 . 1 67 67 ALA CA C 13 50.209 0.3 . 1 . . . . A 66 ALA CA . 30590 1 855 . 1 . 1 67 67 ALA CB C 13 21.041 0.3 . 1 . . . . A 66 ALA CB . 30590 1 856 . 1 . 1 67 67 ALA N N 15 123.767 0.3 . 1 . . . . A 66 ALA N . 30590 1 857 . 1 . 1 68 68 LEU H H 1 9.153 0.020 . 1 . . . . A 67 LEU H . 30590 1 858 . 1 . 1 68 68 LEU HA H 1 5.111 0.020 . 1 . . . . A 67 LEU HA . 30590 1 859 . 1 . 1 68 68 LEU HB2 H 1 1.756 0.020 . 2 . . . . A 67 LEU HB2 . 30590 1 860 . 1 . 1 68 68 LEU HB3 H 1 1.804 0.020 . 2 . . . . A 67 LEU HB3 . 30590 1 861 . 1 . 1 68 68 LEU HG H 1 1.884 0.020 . 1 . . . . A 67 LEU HG . 30590 1 862 . 1 . 1 68 68 LEU HD11 H 1 0.942 0.020 . 2 . . . . A 67 LEU HD11 . 30590 1 863 . 1 . 1 68 68 LEU HD12 H 1 0.942 0.020 . 2 . . . . A 67 LEU HD12 . 30590 1 864 . 1 . 1 68 68 LEU HD13 H 1 0.942 0.020 . 2 . . . . A 67 LEU HD13 . 30590 1 865 . 1 . 1 68 68 LEU HD21 H 1 0.784 0.020 . 2 . . . . A 67 LEU HD21 . 30590 1 866 . 1 . 1 68 68 LEU HD22 H 1 0.784 0.020 . 2 . . . . A 67 LEU HD22 . 30590 1 867 . 1 . 1 68 68 LEU HD23 H 1 0.784 0.020 . 2 . . . . A 67 LEU HD23 . 30590 1 868 . 1 . 1 68 68 LEU C C 13 175.217 0.3 . 1 . . . . A 67 LEU C . 30590 1 869 . 1 . 1 68 68 LEU CA C 13 53.877 0.3 . 1 . . . . A 67 LEU CA . 30590 1 870 . 1 . 1 68 68 LEU CB C 13 44.197 0.3 . 1 . . . . A 67 LEU CB . 30590 1 871 . 1 . 1 68 68 LEU CG C 13 28.958 0.3 . 1 . . . . A 67 LEU CG . 30590 1 872 . 1 . 1 68 68 LEU CD1 C 13 24.420 0.3 . 1 . . . . A 67 LEU CD1 . 30590 1 873 . 1 . 1 68 68 LEU CD2 C 13 25.282 0.3 . 1 . . . . A 67 LEU CD2 . 30590 1 874 . 1 . 1 68 68 LEU N N 15 123.994 0.3 . 1 . . . . A 67 LEU N . 30590 1 875 . 1 . 1 69 69 ILE H H 1 8.870 0.020 . 1 . . . . A 68 ILE H . 30590 1 876 . 1 . 1 69 69 ILE HA H 1 4.950 0.020 . 1 . . . . A 68 ILE HA . 30590 1 877 . 1 . 1 69 69 ILE HB H 1 1.730 0.020 . 1 . . . . A 68 ILE HB . 30590 1 878 . 1 . 1 69 69 ILE HG12 H 1 0.952 0.020 . 2 . . . . A 68 ILE HG12 . 30590 1 879 . 1 . 1 69 69 ILE HG13 H 1 1.281 0.020 . 2 . . . . A 68 ILE HG13 . 30590 1 880 . 1 . 1 69 69 ILE HG21 H 1 0.790 0.020 . 1 . . . . A 68 ILE HG21 . 30590 1 881 . 1 . 1 69 69 ILE HG22 H 1 0.790 0.020 . 1 . . . . A 68 ILE HG22 . 30590 1 882 . 1 . 1 69 69 ILE HG23 H 1 0.790 0.020 . 1 . . . . A 68 ILE HG23 . 30590 1 883 . 1 . 1 69 69 ILE HD11 H 1 1.108 0.020 . 1 . . . . A 68 ILE HD11 . 30590 1 884 . 1 . 1 69 69 ILE HD12 H 1 1.108 0.020 . 1 . . . . A 68 ILE HD12 . 30590 1 885 . 1 . 1 69 69 ILE HD13 H 1 1.108 0.020 . 1 . . . . A 68 ILE HD13 . 30590 1 886 . 1 . 1 69 69 ILE C C 13 173.511 0.3 . 1 . . . . A 68 ILE C . 30590 1 887 . 1 . 1 69 69 ILE CA C 13 59.764 0.3 . 1 . . . . A 68 ILE CA . 30590 1 888 . 1 . 1 69 69 ILE CB C 13 40.723 0.3 . 1 . . . . A 68 ILE CB . 30590 1 889 . 1 . 1 69 69 ILE CG1 C 13 28.214 0.3 . 1 . . . . A 68 ILE CG1 . 30590 1 890 . 1 . 1 69 69 ILE CG2 C 13 17.146 0.3 . 1 . . . . A 68 ILE CG2 . 30590 1 891 . 1 . 1 69 69 ILE CD1 C 13 13.282 0.3 . 1 . . . . A 68 ILE CD1 . 30590 1 892 . 1 . 1 69 69 ILE N N 15 121.852 0.3 . 1 . . . . A 68 ILE N . 30590 1 893 . 1 . 1 70 70 LEU H H 1 8.820 0.020 . 1 . . . . A 69 LEU H . 30590 1 894 . 1 . 1 70 70 LEU HA H 1 5.327 0.020 . 1 . . . . A 69 LEU HA . 30590 1 895 . 1 . 1 70 70 LEU HB2 H 1 1.165 0.020 . 2 . . . . A 69 LEU HB2 . 30590 1 896 . 1 . 1 70 70 LEU HB3 H 1 1.789 0.020 . 2 . . . . A 69 LEU HB3 . 30590 1 897 . 1 . 1 70 70 LEU HG H 1 1.508 0.020 . 1 . . . . A 69 LEU HG . 30590 1 898 . 1 . 1 70 70 LEU HD11 H 1 0.929 0.020 . 1 . . . . A 69 LEU HD11 . 30590 1 899 . 1 . 1 70 70 LEU HD12 H 1 0.929 0.020 . 1 . . . . A 69 LEU HD12 . 30590 1 900 . 1 . 1 70 70 LEU HD13 H 1 0.929 0.020 . 1 . . . . A 69 LEU HD13 . 30590 1 901 . 1 . 1 70 70 LEU C C 13 173.750 0.3 . 1 . . . . A 69 LEU C . 30590 1 902 . 1 . 1 70 70 LEU CA C 13 53.246 0.3 . 1 . . . . A 69 LEU CA . 30590 1 903 . 1 . 1 70 70 LEU CB C 13 44.064 0.3 . 1 . . . . A 69 LEU CB . 30590 1 904 . 1 . 1 70 70 LEU CG C 13 27.046 0.3 . 1 . . . . A 69 LEU CG . 30590 1 905 . 1 . 1 70 70 LEU CD1 C 13 24.683 0.3 . 1 . . . . A 69 LEU CD1 . 30590 1 906 . 1 . 1 70 70 LEU N N 15 128.576 0.3 . 1 . . . . A 69 LEU N . 30590 1 907 . 1 . 1 71 71 LEU H H 1 8.896 0.020 . 1 . . . . A 70 LEU H . 30590 1 908 . 1 . 1 71 71 LEU HA H 1 4.890 0.020 . 1 . . . . A 70 LEU HA . 30590 1 909 . 1 . 1 71 71 LEU HB2 H 1 1.220 0.020 . 2 . . . . A 70 LEU HB2 . 30590 1 910 . 1 . 1 71 71 LEU HB3 H 1 1.461 0.020 . 2 . . . . A 70 LEU HB3 . 30590 1 911 . 1 . 1 71 71 LEU HD11 H 1 0.888 0.020 . 2 . . . . A 70 LEU HD11 . 30590 1 912 . 1 . 1 71 71 LEU HD12 H 1 0.888 0.020 . 2 . . . . A 70 LEU HD12 . 30590 1 913 . 1 . 1 71 71 LEU HD13 H 1 0.888 0.020 . 2 . . . . A 70 LEU HD13 . 30590 1 914 . 1 . 1 71 71 LEU HD21 H 1 0.159 0.020 . 2 . . . . A 70 LEU HD21 . 30590 1 915 . 1 . 1 71 71 LEU HD22 H 1 0.159 0.020 . 2 . . . . A 70 LEU HD22 . 30590 1 916 . 1 . 1 71 71 LEU HD23 H 1 0.159 0.020 . 2 . . . . A 70 LEU HD23 . 30590 1 917 . 1 . 1 71 71 LEU C C 13 174.946 0.3 . 1 . . . . A 70 LEU C . 30590 1 918 . 1 . 1 71 71 LEU CA C 13 53.443 0.3 . 1 . . . . A 70 LEU CA . 30590 1 919 . 1 . 1 71 71 LEU CB C 13 43.641 0.3 . 1 . . . . A 70 LEU CB . 30590 1 920 . 1 . 1 71 71 LEU CD1 C 13 25.045 0.3 . 1 . . . . A 70 LEU CD1 . 30590 1 921 . 1 . 1 71 71 LEU CD2 C 13 25.523 0.3 . 1 . . . . A 70 LEU CD2 . 30590 1 922 . 1 . 1 71 71 LEU N N 15 126.085 0.3 . 1 . . . . A 70 LEU N . 30590 1 923 . 1 . 1 72 72 LEU H H 1 8.513 0.020 . 1 . . . . A 71 LEU H . 30590 1 924 . 1 . 1 72 72 LEU HA H 1 5.218 0.020 . 1 . . . . A 71 LEU HA . 30590 1 925 . 1 . 1 72 72 LEU HB2 H 1 1.712 0.020 . 2 . . . . A 71 LEU HB2 . 30590 1 926 . 1 . 1 72 72 LEU HB3 H 1 1.821 0.020 . 2 . . . . A 71 LEU HB3 . 30590 1 927 . 1 . 1 72 72 LEU HG H 1 1.715 0.020 . 1 . . . . A 71 LEU HG . 30590 1 928 . 1 . 1 72 72 LEU HD11 H 1 0.890 0.020 . 2 . . . . A 71 LEU HD11 . 30590 1 929 . 1 . 1 72 72 LEU HD12 H 1 0.890 0.020 . 2 . . . . A 71 LEU HD12 . 30590 1 930 . 1 . 1 72 72 LEU HD13 H 1 0.890 0.020 . 2 . . . . A 71 LEU HD13 . 30590 1 931 . 1 . 1 72 72 LEU HD21 H 1 0.976 0.020 . 2 . . . . A 71 LEU HD21 . 30590 1 932 . 1 . 1 72 72 LEU HD22 H 1 0.976 0.020 . 2 . . . . A 71 LEU HD22 . 30590 1 933 . 1 . 1 72 72 LEU HD23 H 1 0.976 0.020 . 2 . . . . A 71 LEU HD23 . 30590 1 934 . 1 . 1 72 72 LEU C C 13 176.605 0.3 . 1 . . . . A 71 LEU C . 30590 1 935 . 1 . 1 72 72 LEU CA C 13 53.715 0.3 . 1 . . . . A 71 LEU CA . 30590 1 936 . 1 . 1 72 72 LEU CB C 13 43.551 0.3 . 1 . . . . A 71 LEU CB . 30590 1 937 . 1 . 1 72 72 LEU CG C 13 27.482 0.3 . 1 . . . . A 71 LEU CG . 30590 1 938 . 1 . 1 72 72 LEU CD1 C 13 24.613 0.3 . 1 . . . . A 71 LEU CD1 . 30590 1 939 . 1 . 1 72 72 LEU CD2 C 13 23.652 0.3 . 1 . . . . A 71 LEU CD2 . 30590 1 940 . 1 . 1 72 72 LEU N N 15 122.853 0.3 . 1 . . . . A 71 LEU N . 30590 1 941 . 1 . 1 73 73 THR H H 1 8.603 0.020 . 1 . . . . A 72 THR H . 30590 1 942 . 1 . 1 73 73 THR HA H 1 4.694 0.020 . 1 . . . . A 72 THR HA . 30590 1 943 . 1 . 1 73 73 THR HB H 1 4.172 0.020 . 1 . . . . A 72 THR HB . 30590 1 944 . 1 . 1 73 73 THR HG21 H 1 1.021 0.020 . 1 . . . . A 72 THR HG21 . 30590 1 945 . 1 . 1 73 73 THR HG22 H 1 1.021 0.020 . 1 . . . . A 72 THR HG22 . 30590 1 946 . 1 . 1 73 73 THR HG23 H 1 1.021 0.020 . 1 . . . . A 72 THR HG23 . 30590 1 947 . 1 . 1 73 73 THR C C 13 173.702 0.3 . 1 . . . . A 72 THR C . 30590 1 948 . 1 . 1 73 73 THR CA C 13 60.933 0.3 . 1 . . . . A 72 THR CA . 30590 1 949 . 1 . 1 73 73 THR CB C 13 69.718 0.3 . 1 . . . . A 72 THR CB . 30590 1 950 . 1 . 1 73 73 THR CG2 C 13 20.909 0.3 . 1 . . . . A 72 THR CG2 . 30590 1 951 . 1 . 1 73 73 THR N N 15 117.073 0.3 . 1 . . . . A 72 THR N . 30590 1 952 . 1 . 1 74 74 LEU H H 1 8.431 0.020 . 1 . . . . A 73 LEU H . 30590 1 953 . 1 . 1 74 74 LEU HA H 1 4.450 0.020 . 1 . . . . A 73 LEU HA . 30590 1 954 . 1 . 1 74 74 LEU HB2 H 1 1.603 0.020 . 2 . . . . A 73 LEU HB2 . 30590 1 955 . 1 . 1 74 74 LEU HB3 H 1 1.695 0.020 . 2 . . . . A 73 LEU HB3 . 30590 1 956 . 1 . 1 74 74 LEU HG H 1 1.486 0.020 . 1 . . . . A 73 LEU HG . 30590 1 957 . 1 . 1 74 74 LEU HD11 H 1 0.987 0.020 . 1 . . . . A 73 LEU HD11 . 30590 1 958 . 1 . 1 74 74 LEU HD12 H 1 0.987 0.020 . 1 . . . . A 73 LEU HD12 . 30590 1 959 . 1 . 1 74 74 LEU HD13 H 1 0.987 0.020 . 1 . . . . A 73 LEU HD13 . 30590 1 960 . 1 . 1 74 74 LEU HD21 H 1 0.987 0.020 . 1 . . . . A 73 LEU HD21 . 30590 1 961 . 1 . 1 74 74 LEU HD22 H 1 0.987 0.020 . 1 . . . . A 73 LEU HD22 . 30590 1 962 . 1 . 1 74 74 LEU HD23 H 1 0.987 0.020 . 1 . . . . A 73 LEU HD23 . 30590 1 963 . 1 . 1 74 74 LEU C C 13 175.935 0.3 . 1 . . . . A 73 LEU C . 30590 1 964 . 1 . 1 74 74 LEU CA C 13 55.097 0.3 . 1 . . . . A 73 LEU CA . 30590 1 965 . 1 . 1 74 74 LEU CB C 13 42.605 0.3 . 1 . . . . A 73 LEU CB . 30590 1 966 . 1 . 1 74 74 LEU CG C 13 26.706 0.3 . 1 . . . . A 73 LEU CG . 30590 1 967 . 1 . 1 74 74 LEU CD1 C 13 24.040 0.3 . 1 . . . . A 73 LEU CD1 . 30590 1 968 . 1 . 1 74 74 LEU N N 15 125.957 0.3 . 1 . . . . A 73 LEU N . 30590 1 969 . 1 . 1 75 75 ARG H H 1 7.771 0.020 . 1 . . . . A 74 ARG H . 30590 1 970 . 1 . 1 75 75 ARG HA H 1 4.279 0.020 . 1 . . . . A 74 ARG HA . 30590 1 971 . 1 . 1 75 75 ARG HB2 H 1 1.783 0.020 . 2 . . . . A 74 ARG HB2 . 30590 1 972 . 1 . 1 75 75 ARG HB3 H 1 1.942 0.020 . 2 . . . . A 74 ARG HB3 . 30590 1 973 . 1 . 1 75 75 ARG HG2 H 1 1.585 0.020 . 1 . . . . A 74 ARG HG2 . 30590 1 974 . 1 . 1 75 75 ARG HG3 H 1 1.585 0.020 . 1 . . . . A 74 ARG HG3 . 30590 1 975 . 1 . 1 75 75 ARG HD2 H 1 3.183 0.020 . 2 . . . . A 74 ARG HD2 . 30590 1 976 . 1 . 1 75 75 ARG HD3 H 1 3.305 0.020 . 2 . . . . A 74 ARG HD3 . 30590 1 977 . 1 . 1 75 75 ARG C C 13 180.193 0.3 . 1 . . . . A 74 ARG C . 30590 1 978 . 1 . 1 75 75 ARG CA C 13 56.863 0.3 . 1 . . . . A 74 ARG CA . 30590 1 979 . 1 . 1 75 75 ARG CB C 13 31.469 0.3 . 1 . . . . A 74 ARG CB . 30590 1 980 . 1 . 1 75 75 ARG CG C 13 26.625 0.3 . 1 . . . . A 74 ARG CG . 30590 1 981 . 1 . 1 75 75 ARG CD C 13 43.204 0.3 . 1 . . . . A 74 ARG CD . 30590 1 982 . 1 . 1 75 75 ARG N N 15 125.050 0.3 . 1 . . . . A 74 ARG N . 30590 1 983 . 2 . 2 5 5 PHE H H 1 8.514 0.020 . 1 . . . . B 104 PHE H . 30590 1 984 . 2 . 2 5 5 PHE HD1 H 1 7.016 0.020 . 1 . . . . B 104 PHE HD1 . 30590 1 985 . 2 . 2 5 5 PHE HD2 H 1 7.016 0.020 . 1 . . . . B 104 PHE HD2 . 30590 1 986 . 2 . 2 5 5 PHE CA C 13 55.163 0.3 . 1 . . . . B 104 PHE CA . 30590 1 987 . 2 . 2 5 5 PHE CD1 C 13 132.227 0.3 . 1 . . . . B 104 PHE CD1 . 30590 1 988 . 2 . 2 5 5 PHE N N 15 118.859 0.3 . 1 . . . . B 104 PHE N . 30590 1 989 . 2 . 2 7 7 ASP H H 1 9.091 0.020 . 1 . . . . B 106 ASP H . 30590 1 990 . 2 . 2 7 7 ASP HA H 1 5.272 0.020 . 1 . . . . B 106 ASP HA . 30590 1 991 . 2 . 2 7 7 ASP CA C 13 54.554 0.3 . 1 . . . . B 106 ASP CA . 30590 1 992 . 2 . 2 7 7 ASP N N 15 130.765 0.3 . 1 . . . . B 106 ASP N . 30590 1 993 . 2 . 2 8 8 THR H H 1 9.279 0.020 . 1 . . . . B 107 THR H . 30590 1 994 . 2 . 2 8 8 THR HA H 1 4.725 0.020 . 1 . . . . B 107 THR HA . 30590 1 995 . 2 . 2 8 8 THR HG21 H 1 0.895 0.020 . 1 . . . . B 107 THR HG21 . 30590 1 996 . 2 . 2 8 8 THR HG22 H 1 0.895 0.020 . 1 . . . . B 107 THR HG22 . 30590 1 997 . 2 . 2 8 8 THR HG23 H 1 0.895 0.020 . 1 . . . . B 107 THR HG23 . 30590 1 998 . 2 . 2 8 8 THR CA C 13 61.232 0.3 . 1 . . . . B 107 THR CA . 30590 1 999 . 2 . 2 8 8 THR N N 15 117.834 0.3 . 1 . . . . B 107 THR N . 30590 1 1000 . 2 . 2 10 10 GLN H H 1 8.258 0.020 . 1 . . . . B 109 GLN H . 30590 1 1001 . 2 . 2 10 10 GLN CA C 13 53.673 0.3 . 1 . . . . B 109 GLN CA . 30590 1 1002 . 2 . 2 10 10 GLN N N 15 123.738 0.3 . 1 . . . . B 109 GLN N . 30590 1 1003 . 2 . 2 11 11 TRP HD1 H 1 7.207 0.020 . 1 . . . . B 110 TRP HD1 . 30590 1 1004 . 2 . 2 11 11 TRP HE1 H 1 10.050 0.020 . 1 . . . . B 110 TRP HE1 . 30590 1 1005 . 2 . 2 11 11 TRP HZ2 H 1 7.397 0.020 . 1 . . . . B 110 TRP HZ2 . 30590 1 1006 . 2 . 2 11 11 TRP CZ2 C 13 114.986 0.3 . 1 . . . . B 110 TRP CZ2 . 30590 1 1007 . 2 . 2 11 11 TRP NE1 N 15 129.357 0.3 . 1 . . . . B 110 TRP NE1 . 30590 1 1008 . 2 . 2 12 12 LYS H H 1 8.640 0.020 . 1 . . . . B 111 LYS H . 30590 1 1009 . 2 . 2 12 12 LYS HB2 H 1 1.615 0.020 . 1 . . . . B 111 LYS HB2 . 30590 1 1010 . 2 . 2 12 12 LYS HB3 H 1 1.615 0.020 . 1 . . . . B 111 LYS HB3 . 30590 1 1011 . 2 . 2 12 12 LYS HE2 H 1 2.715 0.020 . 1 . . . . B 111 LYS HE2 . 30590 1 1012 . 2 . 2 12 12 LYS HE3 H 1 2.715 0.020 . 1 . . . . B 111 LYS HE3 . 30590 1 1013 . 2 . 2 12 12 LYS CA C 13 53.138 0.3 . 1 . . . . B 111 LYS CA . 30590 1 1014 . 2 . 2 12 12 LYS CB C 13 36.019 0.3 . 1 . . . . B 111 LYS CB . 30590 1 1015 . 2 . 2 12 12 LYS CE C 13 41.523 0.3 . 1 . . . . B 111 LYS CE . 30590 1 1016 . 2 . 2 13 13 THR H H 1 8.669 0.020 . 1 . . . . B 112 THR H . 30590 1 1017 . 2 . 2 13 13 THR HA H 1 5.373 0.020 . 1 . . . . B 112 THR HA . 30590 1 1018 . 2 . 2 13 13 THR HG21 H 1 1.128 0.020 . 1 . . . . B 112 THR HG21 . 30590 1 1019 . 2 . 2 13 13 THR HG22 H 1 1.128 0.020 . 1 . . . . B 112 THR HG22 . 30590 1 1020 . 2 . 2 13 13 THR HG23 H 1 1.128 0.020 . 1 . . . . B 112 THR HG23 . 30590 1 1021 . 2 . 2 13 13 THR CA C 13 61.705 0.3 . 1 . . . . B 112 THR CA . 30590 1 1022 . 2 . 2 13 13 THR CG2 C 13 21.773 0.3 . 1 . . . . B 112 THR CG2 . 30590 1 1023 . 2 . 2 14 14 ILE H H 1 9.352 0.020 . 1 . . . . B 113 ILE H . 30590 1 1024 . 2 . 2 14 14 ILE CA C 13 59.808 0.3 . 1 . . . . B 113 ILE CA . 30590 1 1025 . 2 . 2 14 14 ILE N N 15 128.553 0.3 . 1 . . . . B 113 ILE N . 30590 1 1026 . 2 . 2 17 17 GLU H H 1 8.393 0.020 . 1 . . . . B 116 GLU H . 30590 1 1027 . 2 . 2 17 17 GLU CA C 13 52.792 0.3 . 1 . . . . B 116 GLU CA . 30590 1 1028 . 2 . 2 17 17 GLU N N 15 117.909 0.3 . 1 . . . . B 116 GLU N . 30590 1 1029 . 2 . 2 18 18 VAL H H 1 8.527 0.020 . 1 . . . . B 117 VAL H . 30590 1 1030 . 2 . 2 18 18 VAL N N 15 116.704 0.3 . 1 . . . . B 117 VAL N . 30590 1 1031 . 2 . 2 24 24 ILE H H 1 8.503 0.020 . 1 . . . . B 123 ILE H . 30590 1 1032 . 2 . 2 24 24 ILE CA C 13 62.059 0.3 . 1 . . . . B 123 ILE CA . 30590 1 1033 . 2 . 2 24 24 ILE N N 15 121.735 0.3 . 1 . . . . B 123 ILE N . 30590 1 1034 . 2 . 2 27 27 VAL H H 1 8.148 0.020 . 1 . . . . B 126 VAL H . 30590 1 1035 . 2 . 2 27 27 VAL CA C 13 67.436 0.3 . 1 . . . . B 126 VAL CA . 30590 1 1036 . 2 . 2 27 27 VAL N N 15 122.452 0.3 . 1 . . . . B 126 VAL N . 30590 1 1037 . 2 . 2 28 28 LYS H H 1 8.496 0.020 . 1 . . . . B 127 LYS H . 30590 1 1038 . 2 . 2 28 28 LYS CA C 13 58.890 0.3 . 1 . . . . B 127 LYS CA . 30590 1 1039 . 2 . 2 28 28 LYS N N 15 118.872 0.3 . 1 . . . . B 127 LYS N . 30590 1 1040 . 2 . 2 29 29 ALA H H 1 7.871 0.020 . 1 . . . . B 128 ALA H . 30590 1 1041 . 2 . 2 29 29 ALA HA H 1 4.089 0.020 . 1 . . . . B 128 ALA HA . 30590 1 1042 . 2 . 2 29 29 ALA HB1 H 1 1.548 0.020 . 1 . . . . B 128 ALA HB1 . 30590 1 1043 . 2 . 2 29 29 ALA HB2 H 1 1.548 0.020 . 1 . . . . B 128 ALA HB2 . 30590 1 1044 . 2 . 2 29 29 ALA HB3 H 1 1.548 0.020 . 1 . . . . B 128 ALA HB3 . 30590 1 1045 . 2 . 2 29 29 ALA CA C 13 55.096 0.3 . 1 . . . . B 128 ALA CA . 30590 1 1046 . 2 . 2 29 29 ALA CB C 13 17.432 0.3 . 1 . . . . B 128 ALA CB . 30590 1 1047 . 2 . 2 29 29 ALA N N 15 123.152 0.3 . 1 . . . . B 128 ALA N . 30590 1 1048 . 2 . 2 31 31 ILE H H 1 8.317 0.020 . 1 . . . . B 130 ILE H . 30590 1 1049 . 2 . 2 31 31 ILE CA C 13 65.939 0.3 . 1 . . . . B 130 ILE CA . 30590 1 1050 . 2 . 2 31 31 ILE N N 15 122.112 0.3 . 1 . . . . B 130 ILE N . 30590 1 1051 . 2 . 2 34 34 LYS H H 1 7.565 0.020 . 1 . . . . B 133 LYS H . 30590 1 1052 . 2 . 2 34 34 LYS CA C 13 58.147 0.3 . 1 . . . . B 133 LYS CA . 30590 1 1053 . 2 . 2 34 34 LYS N N 15 116.143 0.3 . 1 . . . . B 133 LYS N . 30590 1 1054 . 2 . 2 35 35 GLU H H 1 8.581 0.020 . 1 . . . . B 134 GLU H . 30590 1 1055 . 2 . 2 35 35 GLU CA C 13 59.503 0.3 . 1 . . . . B 134 GLU CA . 30590 1 1056 . 2 . 2 35 35 GLU N N 15 114.967 0.3 . 1 . . . . B 134 GLU N . 30590 1 1057 . 2 . 2 36 36 GLY H H 1 8.430 0.020 . 1 . . . . B 135 GLY H . 30590 1 1058 . 2 . 2 36 36 GLY CA C 13 45.707 0.3 . 1 . . . . B 135 GLY CA . 30590 1 1059 . 2 . 2 36 36 GLY N N 15 109.085 0.3 . 1 . . . . B 135 GLY N . 30590 1 1060 . 2 . 2 37 37 ILE H H 1 6.094 0.020 . 1 . . . . B 136 ILE H . 30590 1 1061 . 2 . 2 37 37 ILE CA C 13 57.737 0.3 . 1 . . . . B 136 ILE CA . 30590 1 1062 . 2 . 2 37 37 ILE N N 15 120.827 0.3 . 1 . . . . B 136 ILE N . 30590 1 1063 . 2 . 2 40 40 ASP H H 1 8.456 0.020 . 1 . . . . B 139 ASP H . 30590 1 1064 . 2 . 2 40 40 ASP CA C 13 55.436 0.3 . 1 . . . . B 139 ASP CA . 30590 1 1065 . 2 . 2 40 40 ASP N N 15 113.493 0.3 . 1 . . . . B 139 ASP N . 30590 1 1066 . 2 . 2 41 41 GLN H H 1 7.572 0.020 . 1 . . . . B 140 GLN H . 30590 1 1067 . 2 . 2 41 41 GLN CA C 13 55.368 0.3 . 1 . . . . B 140 GLN CA . 30590 1 1068 . 2 . 2 41 41 GLN N N 15 117.591 0.3 . 1 . . . . B 140 GLN N . 30590 1 1069 . 2 . 2 42 42 GLN H H 1 7.187 0.020 . 1 . . . . B 141 GLN H . 30590 1 1070 . 2 . 2 42 42 GLN CA C 13 56.080 0.3 . 1 . . . . B 141 GLN CA . 30590 1 1071 . 2 . 2 42 42 GLN N N 15 116.268 0.3 . 1 . . . . B 141 GLN N . 30590 1 1072 . 2 . 2 44 44 LEU H H 1 8.640 0.020 . 1 . . . . B 143 LEU H . 30590 1 1073 . 2 . 2 44 44 LEU HA H 1 5.509 0.020 . 1 . . . . B 143 LEU HA . 30590 1 1074 . 2 . 2 44 44 LEU HB2 H 1 1.411 0.020 . 1 . . . . B 143 LEU HB2 . 30590 1 1075 . 2 . 2 44 44 LEU HB3 H 1 1.411 0.020 . 1 . . . . B 143 LEU HB3 . 30590 1 1076 . 2 . 2 44 44 LEU HD11 H 1 0.722 0.020 . 1 . . . . B 143 LEU HD11 . 30590 1 1077 . 2 . 2 44 44 LEU HD12 H 1 0.722 0.020 . 1 . . . . B 143 LEU HD12 . 30590 1 1078 . 2 . 2 44 44 LEU HD13 H 1 0.722 0.020 . 1 . . . . B 143 LEU HD13 . 30590 1 1079 . 2 . 2 44 44 LEU HD21 H 1 0.722 0.020 . 1 . . . . B 143 LEU HD21 . 30590 1 1080 . 2 . 2 44 44 LEU HD22 H 1 0.722 0.020 . 1 . . . . B 143 LEU HD22 . 30590 1 1081 . 2 . 2 44 44 LEU HD23 H 1 0.722 0.020 . 1 . . . . B 143 LEU HD23 . 30590 1 1082 . 2 . 2 44 44 LEU CA C 13 52.807 0.3 . 1 . . . . B 143 LEU CA . 30590 1 1083 . 2 . 2 44 44 LEU N N 15 126.068 0.3 . 1 . . . . B 143 LEU N . 30590 1 1084 . 2 . 2 45 45 ASP H H 1 9.056 0.020 . 1 . . . . B 144 ASP H . 30590 1 1085 . 2 . 2 45 45 ASP HA H 1 5.400 0.020 . 1 . . . . B 144 ASP HA . 30590 1 1086 . 2 . 2 45 45 ASP HB2 H 1 3.476 0.020 . 1 . . . . B 144 ASP HB2 . 30590 1 1087 . 2 . 2 45 45 ASP HB3 H 1 3.476 0.020 . 1 . . . . B 144 ASP HB3 . 30590 1 1088 . 2 . 2 45 45 ASP CA C 13 52.167 0.3 . 1 . . . . B 144 ASP CA . 30590 1 1089 . 2 . 2 45 45 ASP N N 15 122.956 0.3 . 1 . . . . B 144 ASP N . 30590 1 1090 . 2 . 2 46 46 PHE H H 1 8.654 0.020 . 1 . . . . B 145 PHE H . 30590 1 1091 . 2 . 2 46 46 PHE HA H 1 4.954 0.020 . 1 . . . . B 145 PHE HA . 30590 1 1092 . 2 . 2 46 46 PHE HB2 H 1 2.683 0.020 . 2 . . . . B 145 PHE HB2 . 30590 1 1093 . 2 . 2 46 46 PHE HB3 H 1 2.978 0.020 . 2 . . . . B 145 PHE HB3 . 30590 1 1094 . 2 . 2 46 46 PHE HD1 H 1 7.276 0.020 . 1 . . . . B 145 PHE HD1 . 30590 1 1095 . 2 . 2 46 46 PHE HD2 H 1 7.276 0.020 . 1 . . . . B 145 PHE HD2 . 30590 1 1096 . 2 . 2 46 46 PHE CA C 13 56.753 0.3 . 1 . . . . B 145 PHE CA . 30590 1 1097 . 2 . 2 46 46 PHE N N 15 120.631 0.3 . 1 . . . . B 145 PHE N . 30590 1 1098 . 2 . 2 47 47 ALA H H 1 8.563 0.020 . 1 . . . . B 146 ALA H . 30590 1 1099 . 2 . 2 47 47 ALA HA H 1 3.577 0.020 . 1 . . . . B 146 ALA HA . 30590 1 1100 . 2 . 2 47 47 ALA HB1 H 1 0.815 0.020 . 1 . . . . B 146 ALA HB1 . 30590 1 1101 . 2 . 2 47 47 ALA HB2 H 1 0.815 0.020 . 1 . . . . B 146 ALA HB2 . 30590 1 1102 . 2 . 2 47 47 ALA HB3 H 1 0.815 0.020 . 1 . . . . B 146 ALA HB3 . 30590 1 1103 . 2 . 2 47 47 ALA CA C 13 52.249 0.3 . 1 . . . . B 146 ALA CA . 30590 1 1104 . 2 . 2 47 47 ALA N N 15 131.781 0.3 . 1 . . . . B 146 ALA N . 30590 1 1105 . 2 . 2 48 48 GLY H H 1 8.821 0.020 . 1 . . . . B 147 GLY H . 30590 1 1106 . 2 . 2 48 48 GLY HA2 H 1 3.630 0.020 . 2 . . . . B 147 GLY HA2 . 30590 1 1107 . 2 . 2 48 48 GLY HA3 H 1 4.031 0.020 . 2 . . . . B 147 GLY HA3 . 30590 1 1108 . 2 . 2 48 48 GLY CA C 13 45.199 0.3 . 1 . . . . B 147 GLY CA . 30590 1 1109 . 2 . 2 48 48 GLY N N 15 105.342 0.3 . 1 . . . . B 147 GLY N . 30590 1 1110 . 2 . 2 49 49 LYS H H 1 7.710 0.020 . 1 . . . . B 148 LYS H . 30590 1 1111 . 2 . 2 49 49 LYS CA C 13 54.023 0.3 . 1 . . . . B 148 LYS CA . 30590 1 1112 . 2 . 2 49 49 LYS N N 15 121.384 0.3 . 1 . . . . B 148 LYS N . 30590 1 1113 . 2 . 2 51 51 LEU H H 1 8.553 0.020 . 1 . . . . B 150 LEU H . 30590 1 1114 . 2 . 2 51 51 LEU CA C 13 54.229 0.3 . 1 . . . . B 150 LEU CA . 30590 1 1115 . 2 . 2 51 51 LEU N N 15 125.834 0.3 . 1 . . . . B 150 LEU N . 30590 1 1116 . 2 . 2 55 55 ARG H H 1 7.388 0.020 . 1 . . . . B 154 ARG H . 30590 1 1117 . 2 . 2 55 55 ARG CA C 13 54.114 0.3 . 1 . . . . B 154 ARG CA . 30590 1 1118 . 2 . 2 55 55 ARG N N 15 119.419 0.3 . 1 . . . . B 154 ARG N . 30590 1 1119 . 2 . 2 56 56 THR H H 1 8.748 0.020 . 1 . . . . B 155 THR H . 30590 1 1120 . 2 . 2 56 56 THR HA H 1 5.231 0.020 . 1 . . . . B 155 THR HA . 30590 1 1121 . 2 . 2 56 56 THR CA C 13 59.476 0.3 . 1 . . . . B 155 THR CA . 30590 1 1122 . 2 . 2 56 56 THR N N 15 108.736 0.3 . 1 . . . . B 155 THR N . 30590 1 1123 . 2 . 2 57 57 LEU H H 1 8.138 0.020 . 1 . . . . B 156 LEU H . 30590 1 1124 . 2 . 2 57 57 LEU CA C 13 58.283 0.3 . 1 . . . . B 156 LEU CA . 30590 1 1125 . 2 . 2 57 57 LEU N N 15 117.791 0.3 . 1 . . . . B 156 LEU N . 30590 1 1126 . 2 . 2 58 58 SER H H 1 8.390 0.020 . 1 . . . . B 157 SER H . 30590 1 1127 . 2 . 2 58 58 SER CA C 13 60.893 0.3 . 1 . . . . B 157 SER CA . 30590 1 1128 . 2 . 2 58 58 SER N N 15 113.216 0.3 . 1 . . . . B 157 SER N . 30590 1 1129 . 2 . 2 62 62 ILE H H 1 7.201 0.020 . 1 . . . . B 161 ILE H . 30590 1 1130 . 2 . 2 62 62 ILE CA C 13 62.283 0.3 . 1 . . . . B 161 ILE CA . 30590 1 1131 . 2 . 2 62 62 ILE N N 15 119.336 0.3 . 1 . . . . B 161 ILE N . 30590 1 1132 . 2 . 2 63 63 GLN H H 1 7.820 0.020 . 1 . . . . B 162 GLN H . 30590 1 1133 . 2 . 2 63 63 GLN CA C 13 53.300 0.3 . 1 . . . . B 162 GLN CA . 30590 1 1134 . 2 . 2 63 63 GLN N N 15 125.016 0.3 . 1 . . . . B 162 GLN N . 30590 1 1135 . 2 . 2 64 64 LYS H H 1 8.314 0.020 . 1 . . . . B 163 LYS H . 30590 1 1136 . 2 . 2 64 64 LYS CA C 13 58.078 0.3 . 1 . . . . B 163 LYS CA . 30590 1 1137 . 2 . 2 64 64 LYS N N 15 119.839 0.3 . 1 . . . . B 163 LYS N . 30590 1 1138 . 2 . 2 65 65 GLU H H 1 8.662 0.020 . 1 . . . . B 164 GLU H . 30590 1 1139 . 2 . 2 65 65 GLU CA C 13 58.461 0.3 . 1 . . . . B 164 GLU CA . 30590 1 1140 . 2 . 2 65 65 GLU N N 15 118.239 0.3 . 1 . . . . B 164 GLU N . 30590 1 1141 . 2 . 2 66 66 SER H H 1 7.899 0.020 . 1 . . . . B 165 SER H . 30590 1 1142 . 2 . 2 66 66 SER CA C 13 60.825 0.3 . 1 . . . . B 165 SER CA . 30590 1 1143 . 2 . 2 66 66 SER N N 15 115.937 0.3 . 1 . . . . B 165 SER N . 30590 1 1144 . 2 . 2 67 67 ALA H H 1 8.562 0.020 . 1 . . . . B 166 ALA H . 30590 1 1145 . 2 . 2 67 67 ALA HA H 1 5.688 0.020 . 1 . . . . B 166 ALA HA . 30590 1 1146 . 2 . 2 67 67 ALA HB1 H 1 1.425 0.020 . 1 . . . . B 166 ALA HB1 . 30590 1 1147 . 2 . 2 67 67 ALA HB2 H 1 1.425 0.020 . 1 . . . . B 166 ALA HB2 . 30590 1 1148 . 2 . 2 67 67 ALA HB3 H 1 1.425 0.020 . 1 . . . . B 166 ALA HB3 . 30590 1 1149 . 2 . 2 67 67 ALA CA C 13 50.079 0.3 . 1 . . . . B 166 ALA CA . 30590 1 1150 . 2 . 2 67 67 ALA CB C 13 21.022 0.3 . 1 . . . . B 166 ALA CB . 30590 1 1151 . 2 . 2 67 67 ALA N N 15 123.140 0.3 . 1 . . . . B 166 ALA N . 30590 1 1152 . 2 . 2 68 68 LEU H H 1 9.078 0.020 . 1 . . . . B 167 LEU H . 30590 1 1153 . 2 . 2 68 68 LEU CA C 13 53.876 0.3 . 1 . . . . B 167 LEU CA . 30590 1 1154 . 2 . 2 68 68 LEU N N 15 124.132 0.3 . 1 . . . . B 167 LEU N . 30590 1 1155 . 2 . 2 70 70 LEU H H 1 8.437 0.020 . 1 . . . . B 169 LEU H . 30590 1 1156 . 2 . 2 70 70 LEU CA C 13 52.588 0.3 . 1 . . . . B 169 LEU CA . 30590 1 1157 . 2 . 2 70 70 LEU N N 15 127.392 0.3 . 1 . . . . B 169 LEU N . 30590 1 1158 . 2 . 2 73 73 THR H H 1 8.529 0.020 . 1 . . . . B 172 THR H . 30590 1 1159 . 2 . 2 73 73 THR HA H 1 4.539 0.020 . 1 . . . . B 172 THR HA . 30590 1 1160 . 2 . 2 73 73 THR HB H 1 3.994 0.020 . 1 . . . . B 172 THR HB . 30590 1 1161 . 2 . 2 73 73 THR HG21 H 1 0.819 0.020 . 1 . . . . B 172 THR HG21 . 30590 1 1162 . 2 . 2 73 73 THR HG22 H 1 0.819 0.020 . 1 . . . . B 172 THR HG22 . 30590 1 1163 . 2 . 2 73 73 THR HG23 H 1 0.819 0.020 . 1 . . . . B 172 THR HG23 . 30590 1 1164 . 2 . 2 73 73 THR CG2 C 13 21.007 0.3 . 1 . . . . B 172 THR CG2 . 30590 1 1165 . 2 . 2 73 73 THR N N 15 117.707 0.3 . 1 . . . . B 172 THR N . 30590 1 1166 . 2 . 2 74 74 LEU H H 1 8.319 0.020 . 1 . . . . B 173 LEU H . 30590 1 1167 . 2 . 2 74 74 LEU CA C 13 54.763 0.3 . 1 . . . . B 173 LEU CA . 30590 1 1168 . 2 . 2 74 74 LEU N N 15 126.062 0.3 . 1 . . . . B 173 LEU N . 30590 1 1169 . 2 . 2 75 75 ARG H H 1 7.714 0.020 . 1 . . . . B 174 ARG H . 30590 1 1170 . 2 . 2 75 75 ARG CA C 13 56.893 0.3 . 1 . . . . B 174 ARG CA . 30590 1 1171 . 2 . 2 75 75 ARG N N 15 125.628 0.3 . 1 . . . . B 174 ARG N . 30590 1 1172 . 3 . 3 2 2 SER HB2 H 1 3.821 0.020 . 1 . . . . C 734 SER HB2 . 30590 1 1173 . 3 . 3 2 2 SER HB3 H 1 3.821 0.020 . 1 . . . . C 734 SER HB3 . 30590 1 1174 . 3 . 3 2 2 SER CB C 13 63.909 0.3 . 1 . . . . C 734 SER CB . 30590 1 1175 . 3 . 3 3 3 GLU H H 1 8.828 0.020 . 1 . . . . C 735 GLU H . 30590 1 1176 . 3 . 3 3 3 GLU HA H 1 4.330 0.020 . 1 . . . . C 735 GLU HA . 30590 1 1177 . 3 . 3 3 3 GLU HB2 H 1 2.053 0.020 . 2 . . . . C 735 GLU HB2 . 30590 1 1178 . 3 . 3 3 3 GLU HB3 H 1 2.196 0.020 . 2 . . . . C 735 GLU HB3 . 30590 1 1179 . 3 . 3 3 3 GLU HG2 H 1 2.375 0.020 . 1 . . . . C 735 GLU HG2 . 30590 1 1180 . 3 . 3 3 3 GLU HG3 H 1 2.375 0.020 . 1 . . . . C 735 GLU HG3 . 30590 1 1181 . 3 . 3 3 3 GLU CA C 13 57.495 0.3 . 1 . . . . C 735 GLU CA . 30590 1 1182 . 3 . 3 3 3 GLU CB C 13 29.491 0.3 . 1 . . . . C 735 GLU CB . 30590 1 1183 . 3 . 3 3 3 GLU CG C 13 36.373 0.3 . 1 . . . . C 735 GLU CG . 30590 1 1184 . 3 . 3 3 3 GLU N N 15 122.809 0.3 . 1 . . . . C 735 GLU N . 30590 1 1185 . 3 . 3 4 4 SER H H 1 8.254 0.020 . 1 . . . . C 736 SER H . 30590 1 1186 . 3 . 3 4 4 SER HA H 1 4.486 0.020 . 1 . . . . C 736 SER HA . 30590 1 1187 . 3 . 3 4 4 SER HB2 H 1 3.894 0.020 . 1 . . . . C 736 SER HB2 . 30590 1 1188 . 3 . 3 4 4 SER HB3 H 1 3.894 0.020 . 1 . . . . C 736 SER HB3 . 30590 1 1189 . 3 . 3 4 4 SER CA C 13 58.638 0.3 . 1 . . . . C 736 SER CA . 30590 1 1190 . 3 . 3 4 4 SER CB C 13 63.674 0.3 . 1 . . . . C 736 SER CB . 30590 1 1191 . 3 . 3 4 4 SER N N 15 115.676 0.3 . 1 . . . . C 736 SER N . 30590 1 1192 . 3 . 3 5 5 ASP H H 1 8.218 0.020 . 1 . . . . C 737 ASP H . 30590 1 1193 . 3 . 3 5 5 ASP HA H 1 4.683 0.020 . 1 . . . . C 737 ASP HA . 30590 1 1194 . 3 . 3 5 5 ASP HB2 H 1 2.720 0.020 . 2 . . . . C 737 ASP HB2 . 30590 1 1195 . 3 . 3 5 5 ASP HB3 H 1 2.770 0.020 . 2 . . . . C 737 ASP HB3 . 30590 1 1196 . 3 . 3 5 5 ASP CA C 13 54.620 0.3 . 1 . . . . C 737 ASP CA . 30590 1 1197 . 3 . 3 5 5 ASP CB C 13 41.265 0.3 . 1 . . . . C 737 ASP CB . 30590 1 1198 . 3 . 3 5 5 ASP N N 15 122.500 0.3 . 1 . . . . C 737 ASP N . 30590 1 1199 . 3 . 3 6 6 SER H H 1 8.285 0.020 . 1 . . . . C 738 SER H . 30590 1 1200 . 3 . 3 6 6 SER HA H 1 4.440 0.020 . 1 . . . . C 738 SER HA . 30590 1 1201 . 3 . 3 6 6 SER HB2 H 1 3.954 0.020 . 1 . . . . C 738 SER HB2 . 30590 1 1202 . 3 . 3 6 6 SER HB3 H 1 3.954 0.020 . 1 . . . . C 738 SER HB3 . 30590 1 1203 . 3 . 3 6 6 SER CA C 13 59.060 0.3 . 1 . . . . C 738 SER CA . 30590 1 1204 . 3 . 3 6 6 SER CB C 13 63.986 0.3 . 1 . . . . C 738 SER CB . 30590 1 1205 . 3 . 3 6 6 SER N N 15 116.277 0.3 . 1 . . . . C 738 SER N . 30590 1 1206 . 3 . 3 7 7 GLY H H 1 8.441 0.020 . 1 . . . . C 739 GLY H . 30590 1 1207 . 3 . 3 7 7 GLY HA2 H 1 3.993 0.020 . 1 . . . . C 739 GLY HA2 . 30590 1 1208 . 3 . 3 7 7 GLY HA3 H 1 3.993 0.020 . 1 . . . . C 739 GLY HA3 . 30590 1 1209 . 3 . 3 7 7 GLY CA C 13 45.720 0.3 . 1 . . . . C 739 GLY CA . 30590 1 1210 . 3 . 3 7 7 GLY N N 15 110.665 0.3 . 1 . . . . C 739 GLY N . 30590 1 1211 . 3 . 3 8 8 MET H H 1 8.088 0.020 . 1 . . . . C 740 MET H . 30590 1 1212 . 3 . 3 8 8 MET HA H 1 4.486 0.020 . 1 . . . . C 740 MET HA . 30590 1 1213 . 3 . 3 8 8 MET HB2 H 1 2.020 0.020 . 2 . . . . C 740 MET HB2 . 30590 1 1214 . 3 . 3 8 8 MET HB3 H 1 2.116 0.020 . 2 . . . . C 740 MET HB3 . 30590 1 1215 . 3 . 3 8 8 MET HG2 H 1 2.550 0.020 . 2 . . . . C 740 MET HG2 . 30590 1 1216 . 3 . 3 8 8 MET HG3 H 1 2.623 0.020 . 2 . . . . C 740 MET HG3 . 30590 1 1217 . 3 . 3 8 8 MET HE1 H 1 2.122 0.020 . 1 . . . . C 740 MET HE1 . 30590 1 1218 . 3 . 3 8 8 MET HE2 H 1 2.122 0.020 . 1 . . . . C 740 MET HE2 . 30590 1 1219 . 3 . 3 8 8 MET HE3 H 1 2.122 0.020 . 1 . . . . C 740 MET HE3 . 30590 1 1220 . 3 . 3 8 8 MET C C 13 176.217 0.3 . 1 . . . . C 740 MET C . 30590 1 1221 . 3 . 3 8 8 MET CA C 13 55.674 0.3 . 1 . . . . C 740 MET CA . 30590 1 1222 . 3 . 3 8 8 MET CB C 13 33.057 0.3 . 1 . . . . C 740 MET CB . 30590 1 1223 . 3 . 3 8 8 MET CG C 13 32.164 0.3 . 1 . . . . C 740 MET CG . 30590 1 1224 . 3 . 3 8 8 MET CE C 13 17.069 0.3 . 1 . . . . C 740 MET CE . 30590 1 1225 . 3 . 3 8 8 MET N N 15 119.705 0.3 . 1 . . . . C 740 MET N . 30590 1 1226 . 3 . 3 9 9 ALA H H 1 8.313 0.020 . 1 . . . . C 741 ALA H . 30590 1 1227 . 3 . 3 9 9 ALA HA H 1 4.378 0.020 . 1 . . . . C 741 ALA HA . 30590 1 1228 . 3 . 3 9 9 ALA HB1 H 1 1.429 0.020 . 1 . . . . C 741 ALA HB1 . 30590 1 1229 . 3 . 3 9 9 ALA HB2 H 1 1.429 0.020 . 1 . . . . C 741 ALA HB2 . 30590 1 1230 . 3 . 3 9 9 ALA HB3 H 1 1.429 0.020 . 1 . . . . C 741 ALA HB3 . 30590 1 1231 . 3 . 3 9 9 ALA CA C 13 52.871 0.3 . 1 . . . . C 741 ALA CA . 30590 1 1232 . 3 . 3 9 9 ALA CB C 13 19.302 0.3 . 1 . . . . C 741 ALA CB . 30590 1 1233 . 3 . 3 9 9 ALA N N 15 125.124 0.3 . 1 . . . . C 741 ALA N . 30590 1 1234 . 3 . 3 10 10 SER H H 1 8.315 0.020 . 1 . . . . C 742 SER H . 30590 1 1235 . 3 . 3 10 10 SER HA H 1 4.456 0.020 . 1 . . . . C 742 SER HA . 30590 1 1236 . 3 . 3 10 10 SER HB2 H 1 3.914 0.020 . 1 . . . . C 742 SER HB2 . 30590 1 1237 . 3 . 3 10 10 SER HB3 H 1 3.914 0.020 . 1 . . . . C 742 SER HB3 . 30590 1 1238 . 3 . 3 10 10 SER CA C 13 58.436 0.3 . 1 . . . . C 742 SER CA . 30590 1 1239 . 3 . 3 10 10 SER CB C 13 63.833 0.3 . 1 . . . . C 742 SER CB . 30590 1 1240 . 3 . 3 10 10 SER N N 15 115.103 0.3 . 1 . . . . C 742 SER N . 30590 1 1241 . 3 . 3 11 11 GLN H H 1 8.419 0.020 . 1 . . . . C 743 GLN H . 30590 1 1242 . 3 . 3 11 11 GLN HA H 1 4.343 0.020 . 1 . . . . C 743 GLN HA . 30590 1 1243 . 3 . 3 11 11 GLN HB2 H 1 2.045 0.020 . 2 . . . . C 743 GLN HB2 . 30590 1 1244 . 3 . 3 11 11 GLN HB3 H 1 2.171 0.020 . 2 . . . . C 743 GLN HB3 . 30590 1 1245 . 3 . 3 11 11 GLN HG2 H 1 2.421 0.020 . 1 . . . . C 743 GLN HG2 . 30590 1 1246 . 3 . 3 11 11 GLN HG3 H 1 2.421 0.020 . 1 . . . . C 743 GLN HG3 . 30590 1 1247 . 3 . 3 11 11 GLN HE21 H 1 7.209 0.020 . 1 . . . . C 743 GLN HE21 . 30590 1 1248 . 3 . 3 11 11 GLN HE22 H 1 5.933 0.020 . 1 . . . . C 743 GLN HE22 . 30590 1 1249 . 3 . 3 11 11 GLN CA C 13 56.496 0.3 . 1 . . . . C 743 GLN CA . 30590 1 1250 . 3 . 3 11 11 GLN CB C 13 29.245 0.3 . 1 . . . . C 743 GLN CB . 30590 1 1251 . 3 . 3 11 11 GLN CG C 13 34.031 0.3 . 1 . . . . C 743 GLN CG . 30590 1 1252 . 3 . 3 11 11 GLN N N 15 122.320 0.3 . 1 . . . . C 743 GLN N . 30590 1 1253 . 3 . 3 11 11 GLN NE2 N 15 110.451 0.3 . 1 . . . . C 743 GLN NE2 . 30590 1 1254 . 3 . 3 12 12 ALA H H 1 8.276 0.020 . 1 . . . . C 744 ALA H . 30590 1 1255 . 3 . 3 12 12 ALA HA H 1 4.279 0.020 . 1 . . . . C 744 ALA HA . 30590 1 1256 . 3 . 3 12 12 ALA HB1 H 1 1.430 0.020 . 1 . . . . C 744 ALA HB1 . 30590 1 1257 . 3 . 3 12 12 ALA HB2 H 1 1.430 0.020 . 1 . . . . C 744 ALA HB2 . 30590 1 1258 . 3 . 3 12 12 ALA HB3 H 1 1.430 0.020 . 1 . . . . C 744 ALA HB3 . 30590 1 1259 . 3 . 3 12 12 ALA C C 13 178.357 0.3 . 1 . . . . C 744 ALA C . 30590 1 1260 . 3 . 3 12 12 ALA CA C 13 53.502 0.3 . 1 . . . . C 744 ALA CA . 30590 1 1261 . 3 . 3 12 12 ALA CB C 13 19.097 0.3 . 1 . . . . C 744 ALA CB . 30590 1 1262 . 3 . 3 12 12 ALA N N 15 124.460 0.3 . 1 . . . . C 744 ALA N . 30590 1 1263 . 3 . 3 13 13 ASP H H 1 8.260 0.020 . 1 . . . . C 745 ASP H . 30590 1 1264 . 3 . 3 13 13 ASP HA H 1 4.565 0.020 . 1 . . . . C 745 ASP HA . 30590 1 1265 . 3 . 3 13 13 ASP HB2 H 1 2.728 0.020 . 2 . . . . C 745 ASP HB2 . 30590 1 1266 . 3 . 3 13 13 ASP HB3 H 1 2.768 0.020 . 2 . . . . C 745 ASP HB3 . 30590 1 1267 . 3 . 3 13 13 ASP C C 13 177.266 0.3 . 1 . . . . C 745 ASP C . 30590 1 1268 . 3 . 3 13 13 ASP CA C 13 55.233 0.3 . 1 . . . . C 745 ASP CA . 30590 1 1269 . 3 . 3 13 13 ASP CB C 13 41.005 0.3 . 1 . . . . C 745 ASP CB . 30590 1 1270 . 3 . 3 13 13 ASP N N 15 119.739 0.3 . 1 . . . . C 745 ASP N . 30590 1 1271 . 3 . 3 14 14 GLN H H 1 8.302 0.020 . 1 . . . . C 746 GLN H . 30590 1 1272 . 3 . 3 14 14 GLN HA H 1 4.228 0.020 . 1 . . . . C 746 GLN HA . 30590 1 1273 . 3 . 3 14 14 GLN HB2 H 1 2.126 0.020 . 1 . . . . C 746 GLN HB2 . 30590 1 1274 . 3 . 3 14 14 GLN HB3 H 1 2.126 0.020 . 1 . . . . C 746 GLN HB3 . 30590 1 1275 . 3 . 3 14 14 GLN HG2 H 1 2.409 0.020 . 1 . . . . C 746 GLN HG2 . 30590 1 1276 . 3 . 3 14 14 GLN HG3 H 1 2.409 0.020 . 1 . . . . C 746 GLN HG3 . 30590 1 1277 . 3 . 3 14 14 GLN HE21 H 1 7.292 0.020 . 1 . . . . C 746 GLN HE21 . 30590 1 1278 . 3 . 3 14 14 GLN HE22 H 1 6.663 0.020 . 1 . . . . C 746 GLN HE22 . 30590 1 1279 . 3 . 3 14 14 GLN C C 13 177.370 0.3 . 1 . . . . C 746 GLN C . 30590 1 1280 . 3 . 3 14 14 GLN CA C 13 57.865 0.3 . 1 . . . . C 746 GLN CA . 30590 1 1281 . 3 . 3 14 14 GLN CB C 13 28.913 0.3 . 1 . . . . C 746 GLN CB . 30590 1 1282 . 3 . 3 14 14 GLN CG C 13 34.031 0.3 . 1 . . . . C 746 GLN CG . 30590 1 1283 . 3 . 3 14 14 GLN N N 15 121.418 0.3 . 1 . . . . C 746 GLN N . 30590 1 1284 . 3 . 3 14 14 GLN NE2 N 15 110.135 0.3 . 1 . . . . C 746 GLN NE2 . 30590 1 1285 . 3 . 3 15 15 LYS H H 1 8.206 0.020 . 1 . . . . C 747 LYS H . 30590 1 1286 . 3 . 3 15 15 LYS HA H 1 4.183 0.020 . 1 . . . . C 747 LYS HA . 30590 1 1287 . 3 . 3 15 15 LYS HB2 H 1 1.901 0.020 . 1 . . . . C 747 LYS HB2 . 30590 1 1288 . 3 . 3 15 15 LYS HB3 H 1 1.901 0.020 . 1 . . . . C 747 LYS HB3 . 30590 1 1289 . 3 . 3 15 15 LYS HG2 H 1 1.461 0.020 . 1 . . . . C 747 LYS HG2 . 30590 1 1290 . 3 . 3 15 15 LYS HG3 H 1 1.461 0.020 . 1 . . . . C 747 LYS HG3 . 30590 1 1291 . 3 . 3 15 15 LYS HD2 H 1 1.710 0.020 . 1 . . . . C 747 LYS HD2 . 30590 1 1292 . 3 . 3 15 15 LYS HD3 H 1 1.710 0.020 . 1 . . . . C 747 LYS HD3 . 30590 1 1293 . 3 . 3 15 15 LYS HE2 H 1 2.959 0.020 . 1 . . . . C 747 LYS HE2 . 30590 1 1294 . 3 . 3 15 15 LYS HE3 H 1 2.959 0.020 . 1 . . . . C 747 LYS HE3 . 30590 1 1295 . 3 . 3 15 15 LYS C C 13 177.538 0.3 . 1 . . . . C 747 LYS C . 30590 1 1296 . 3 . 3 15 15 LYS CA C 13 57.951 0.3 . 1 . . . . C 747 LYS CA . 30590 1 1297 . 3 . 3 15 15 LYS CB C 13 31.489 0.3 . 1 . . . . C 747 LYS CB . 30590 1 1298 . 3 . 3 15 15 LYS CG C 13 24.767 0.3 . 1 . . . . C 747 LYS CG . 30590 1 1299 . 3 . 3 15 15 LYS CD C 13 28.650 0.3 . 1 . . . . C 747 LYS CD . 30590 1 1300 . 3 . 3 15 15 LYS CE C 13 42.058 0.3 . 1 . . . . C 747 LYS CE . 30590 1 1301 . 3 . 3 15 15 LYS N N 15 120.596 0.3 . 1 . . . . C 747 LYS N . 30590 1 1302 . 3 . 3 16 16 GLU H H 1 8.046 0.020 . 1 . . . . C 748 GLU H . 30590 1 1303 . 3 . 3 16 16 GLU HA H 1 4.011 0.020 . 1 . . . . C 748 GLU HA . 30590 1 1304 . 3 . 3 16 16 GLU HB2 H 1 2.122 0.020 . 1 . . . . C 748 GLU HB2 . 30590 1 1305 . 3 . 3 16 16 GLU HB3 H 1 2.122 0.020 . 1 . . . . C 748 GLU HB3 . 30590 1 1306 . 3 . 3 16 16 GLU HG2 H 1 2.336 0.020 . 1 . . . . C 748 GLU HG2 . 30590 1 1307 . 3 . 3 16 16 GLU HG3 H 1 2.336 0.020 . 1 . . . . C 748 GLU HG3 . 30590 1 1308 . 3 . 3 16 16 GLU C C 13 179.519 0.3 . 1 . . . . C 748 GLU C . 30590 1 1309 . 3 . 3 16 16 GLU CA C 13 59.319 0.3 . 1 . . . . C 748 GLU CA . 30590 1 1310 . 3 . 3 16 16 GLU CB C 13 29.508 0.3 . 1 . . . . C 748 GLU CB . 30590 1 1311 . 3 . 3 16 16 GLU CG C 13 36.517 0.3 . 1 . . . . C 748 GLU CG . 30590 1 1312 . 3 . 3 16 16 GLU N N 15 119.109 0.3 . 1 . . . . C 748 GLU N . 30590 1 1313 . 3 . 3 17 17 GLU H H 1 8.130 0.020 . 1 . . . . C 749 GLU H . 30590 1 1314 . 3 . 3 17 17 GLU HA H 1 4.079 0.020 . 1 . . . . C 749 GLU HA . 30590 1 1315 . 3 . 3 17 17 GLU HB2 H 1 2.136 0.020 . 1 . . . . C 749 GLU HB2 . 30590 1 1316 . 3 . 3 17 17 GLU HB3 H 1 2.136 0.020 . 1 . . . . C 749 GLU HB3 . 30590 1 1317 . 3 . 3 17 17 GLU HG2 H 1 2.311 0.020 . 2 . . . . C 749 GLU HG2 . 30590 1 1318 . 3 . 3 17 17 GLU HG3 H 1 2.408 0.020 . 2 . . . . C 749 GLU HG3 . 30590 1 1319 . 3 . 3 17 17 GLU C C 13 179.456 0.3 . 1 . . . . C 749 GLU C . 30590 1 1320 . 3 . 3 17 17 GLU CA C 13 59.642 0.3 . 1 . . . . C 749 GLU CA . 30590 1 1321 . 3 . 3 17 17 GLU CB C 13 29.692 0.3 . 1 . . . . C 749 GLU CB . 30590 1 1322 . 3 . 3 17 17 GLU CG C 13 36.811 0.3 . 1 . . . . C 749 GLU CG . 30590 1 1323 . 3 . 3 17 17 GLU N N 15 119.169 0.3 . 1 . . . . C 749 GLU N . 30590 1 1324 . 3 . 3 18 18 GLU H H 1 8.109 0.020 . 1 . . . . C 750 GLU H . 30590 1 1325 . 3 . 3 18 18 GLU HA H 1 3.952 0.020 . 1 . . . . C 750 GLU HA . 30590 1 1326 . 3 . 3 18 18 GLU HB2 H 1 1.890 0.020 . 1 . . . . C 750 GLU HB2 . 30590 1 1327 . 3 . 3 18 18 GLU HB3 H 1 1.890 0.020 . 1 . . . . C 750 GLU HB3 . 30590 1 1328 . 3 . 3 18 18 GLU HG2 H 1 2.081 0.020 . 1 . . . . C 750 GLU HG2 . 30590 1 1329 . 3 . 3 18 18 GLU HG3 H 1 2.081 0.020 . 1 . . . . C 750 GLU HG3 . 30590 1 1330 . 3 . 3 18 18 GLU C C 13 179.016 0.3 . 1 . . . . C 750 GLU C . 30590 1 1331 . 3 . 3 18 18 GLU CA C 13 59.336 0.3 . 1 . . . . C 750 GLU CA . 30590 1 1332 . 3 . 3 18 18 GLU CB C 13 29.424 0.3 . 1 . . . . C 750 GLU CB . 30590 1 1333 . 3 . 3 18 18 GLU CG C 13 36.581 0.3 . 1 . . . . C 750 GLU CG . 30590 1 1334 . 3 . 3 18 18 GLU N N 15 121.482 0.3 . 1 . . . . C 750 GLU N . 30590 1 1335 . 3 . 3 19 19 LEU H H 1 7.992 0.020 . 1 . . . . C 751 LEU H . 30590 1 1336 . 3 . 3 19 19 LEU HA H 1 3.827 0.020 . 1 . . . . C 751 LEU HA . 30590 1 1337 . 3 . 3 19 19 LEU HB2 H 1 0.651 0.020 . 2 . . . . C 751 LEU HB2 . 30590 1 1338 . 3 . 3 19 19 LEU HB3 H 1 1.508 0.020 . 2 . . . . C 751 LEU HB3 . 30590 1 1339 . 3 . 3 19 19 LEU HG H 1 1.555 0.020 . 1 . . . . C 751 LEU HG . 30590 1 1340 . 3 . 3 19 19 LEU HD11 H 1 0.682 0.020 . 2 . . . . C 751 LEU HD11 . 30590 1 1341 . 3 . 3 19 19 LEU HD12 H 1 0.682 0.020 . 2 . . . . C 751 LEU HD12 . 30590 1 1342 . 3 . 3 19 19 LEU HD13 H 1 0.682 0.020 . 2 . . . . C 751 LEU HD13 . 30590 1 1343 . 3 . 3 19 19 LEU HD21 H 1 0.540 0.020 . 2 . . . . C 751 LEU HD21 . 30590 1 1344 . 3 . 3 19 19 LEU HD22 H 1 0.540 0.020 . 2 . . . . C 751 LEU HD22 . 30590 1 1345 . 3 . 3 19 19 LEU HD23 H 1 0.540 0.020 . 2 . . . . C 751 LEU HD23 . 30590 1 1346 . 3 . 3 19 19 LEU C C 13 178.607 0.3 . 1 . . . . C 751 LEU C . 30590 1 1347 . 3 . 3 19 19 LEU CA C 13 57.659 0.3 . 1 . . . . C 751 LEU CA . 30590 1 1348 . 3 . 3 19 19 LEU CB C 13 40.745 0.3 . 1 . . . . C 751 LEU CB . 30590 1 1349 . 3 . 3 19 19 LEU CG C 13 26.953 0.3 . 1 . . . . C 751 LEU CG . 30590 1 1350 . 3 . 3 19 19 LEU CD1 C 13 25.472 0.3 . 1 . . . . C 751 LEU CD1 . 30590 1 1351 . 3 . 3 19 19 LEU CD2 C 13 22.139 0.3 . 1 . . . . C 751 LEU CD2 . 30590 1 1352 . 3 . 3 19 19 LEU N N 15 118.834 0.3 . 1 . . . . C 751 LEU N . 30590 1 1353 . 3 . 3 20 20 LEU H H 1 7.852 0.020 . 1 . . . . C 752 LEU H . 30590 1 1354 . 3 . 3 20 20 LEU HA H 1 4.345 0.020 . 1 . . . . C 752 LEU HA . 30590 1 1355 . 3 . 3 20 20 LEU HB2 H 1 1.794 0.020 . 2 . . . . C 752 LEU HB2 . 30590 1 1356 . 3 . 3 20 20 LEU HB3 H 1 1.875 0.020 . 2 . . . . C 752 LEU HB3 . 30590 1 1357 . 3 . 3 20 20 LEU HG H 1 1.783 0.020 . 1 . . . . C 752 LEU HG . 30590 1 1358 . 3 . 3 20 20 LEU HD11 H 1 1.096 0.020 . 2 . . . . C 752 LEU HD11 . 30590 1 1359 . 3 . 3 20 20 LEU HD12 H 1 1.096 0.020 . 2 . . . . C 752 LEU HD12 . 30590 1 1360 . 3 . 3 20 20 LEU HD13 H 1 1.096 0.020 . 2 . . . . C 752 LEU HD13 . 30590 1 1361 . 3 . 3 20 20 LEU HD21 H 1 1.046 0.020 . 2 . . . . C 752 LEU HD21 . 30590 1 1362 . 3 . 3 20 20 LEU HD22 H 1 1.046 0.020 . 2 . . . . C 752 LEU HD22 . 30590 1 1363 . 3 . 3 20 20 LEU HD23 H 1 1.046 0.020 . 2 . . . . C 752 LEU HD23 . 30590 1 1364 . 3 . 3 20 20 LEU C C 13 180.357 0.3 . 1 . . . . C 752 LEU C . 30590 1 1365 . 3 . 3 20 20 LEU CA C 13 58.180 0.3 . 1 . . . . C 752 LEU CA . 30590 1 1366 . 3 . 3 20 20 LEU CB C 13 41.811 0.3 . 1 . . . . C 752 LEU CB . 30590 1 1367 . 3 . 3 20 20 LEU CG C 13 27.434 0.3 . 1 . . . . C 752 LEU CG . 30590 1 1368 . 3 . 3 20 20 LEU CD1 C 13 24.462 0.3 . 1 . . . . C 752 LEU CD1 . 30590 1 1369 . 3 . 3 20 20 LEU CD2 C 13 24.720 0.3 . 1 . . . . C 752 LEU CD2 . 30590 1 1370 . 3 . 3 20 20 LEU N N 15 119.561 0.3 . 1 . . . . C 752 LEU N . 30590 1 1371 . 3 . 3 21 21 LEU H H 1 7.838 0.020 . 1 . . . . C 753 LEU H . 30590 1 1372 . 3 . 3 21 21 LEU HA H 1 4.162 0.020 . 1 . . . . C 753 LEU HA . 30590 1 1373 . 3 . 3 21 21 LEU HB2 H 1 1.657 0.020 . 2 . . . . C 753 LEU HB2 . 30590 1 1374 . 3 . 3 21 21 LEU HB3 H 1 2.025 0.020 . 2 . . . . C 753 LEU HB3 . 30590 1 1375 . 3 . 3 21 21 LEU HG H 1 1.790 0.020 . 1 . . . . C 753 LEU HG . 30590 1 1376 . 3 . 3 21 21 LEU HD11 H 1 0.966 0.020 . 2 . . . . C 753 LEU HD11 . 30590 1 1377 . 3 . 3 21 21 LEU HD12 H 1 0.966 0.020 . 2 . . . . C 753 LEU HD12 . 30590 1 1378 . 3 . 3 21 21 LEU HD13 H 1 0.966 0.020 . 2 . . . . C 753 LEU HD13 . 30590 1 1379 . 3 . 3 21 21 LEU HD21 H 1 0.948 0.020 . 2 . . . . C 753 LEU HD21 . 30590 1 1380 . 3 . 3 21 21 LEU HD22 H 1 0.948 0.020 . 2 . . . . C 753 LEU HD22 . 30590 1 1381 . 3 . 3 21 21 LEU HD23 H 1 0.948 0.020 . 2 . . . . C 753 LEU HD23 . 30590 1 1382 . 3 . 3 21 21 LEU CA C 13 58.497 0.3 . 1 . . . . C 753 LEU CA . 30590 1 1383 . 3 . 3 21 21 LEU CB C 13 41.285 0.3 . 1 . . . . C 753 LEU CB . 30590 1 1384 . 3 . 3 21 21 LEU CG C 13 27.064 0.3 . 1 . . . . C 753 LEU CG . 30590 1 1385 . 3 . 3 21 21 LEU CD1 C 13 25.567 0.3 . 1 . . . . C 753 LEU CD1 . 30590 1 1386 . 3 . 3 21 21 LEU CD2 C 13 23.622 0.3 . 1 . . . . C 753 LEU CD2 . 30590 1 1387 . 3 . 3 21 21 LEU N N 15 122.606 0.3 . 1 . . . . C 753 LEU N . 30590 1 1388 . 3 . 3 22 22 PHE H H 1 8.255 0.020 . 1 . . . . C 754 PHE H . 30590 1 1389 . 3 . 3 22 22 PHE HA H 1 4.443 0.020 . 1 . . . . C 754 PHE HA . 30590 1 1390 . 3 . 3 22 22 PHE HB2 H 1 3.035 0.020 . 2 . . . . C 754 PHE HB2 . 30590 1 1391 . 3 . 3 22 22 PHE HB3 H 1 3.415 0.020 . 2 . . . . C 754 PHE HB3 . 30590 1 1392 . 3 . 3 22 22 PHE HD1 H 1 7.002 0.020 . 1 . . . . C 754 PHE HD1 . 30590 1 1393 . 3 . 3 22 22 PHE HD2 H 1 7.002 0.020 . 1 . . . . C 754 PHE HD2 . 30590 1 1394 . 3 . 3 22 22 PHE HE1 H 1 7.214 0.020 . 1 . . . . C 754 PHE HE1 . 30590 1 1395 . 3 . 3 22 22 PHE HE2 H 1 7.214 0.020 . 1 . . . . C 754 PHE HE2 . 30590 1 1396 . 3 . 3 22 22 PHE CA C 13 59.942 0.3 . 1 . . . . C 754 PHE CA . 30590 1 1397 . 3 . 3 22 22 PHE CB C 13 37.406 0.3 . 1 . . . . C 754 PHE CB . 30590 1 1398 . 3 . 3 22 22 PHE CD1 C 13 130.040 0.3 . 1 . . . . C 754 PHE CD1 . 30590 1 1399 . 3 . 3 22 22 PHE CE1 C 13 131.374 0.3 . 1 . . . . C 754 PHE CE1 . 30590 1 1400 . 3 . 3 22 22 PHE N N 15 117.508 0.3 . 1 . . . . C 754 PHE N . 30590 1 1401 . 3 . 3 23 23 TRP H H 1 8.936 0.020 . 1 . . . . C 755 TRP H . 30590 1 1402 . 3 . 3 23 23 TRP HA H 1 4.913 0.020 . 1 . . . . C 755 TRP HA . 30590 1 1403 . 3 . 3 23 23 TRP HB2 H 1 3.764 0.020 . 2 . . . . C 755 TRP HB2 . 30590 1 1404 . 3 . 3 23 23 TRP HB3 H 1 3.821 0.020 . 2 . . . . C 755 TRP HB3 . 30590 1 1405 . 3 . 3 23 23 TRP HD1 H 1 7.269 0.020 . 1 . . . . C 755 TRP HD1 . 30590 1 1406 . 3 . 3 23 23 TRP HE1 H 1 10.106 0.020 . 1 . . . . C 755 TRP HE1 . 30590 1 1407 . 3 . 3 23 23 TRP HE3 H 1 7.424 0.020 . 1 . . . . C 755 TRP HE3 . 30590 1 1408 . 3 . 3 23 23 TRP HZ2 H 1 7.491 0.020 . 1 . . . . C 755 TRP HZ2 . 30590 1 1409 . 3 . 3 23 23 TRP HZ3 H 1 6.737 0.020 . 1 . . . . C 755 TRP HZ3 . 30590 1 1410 . 3 . 3 23 23 TRP HH2 H 1 7.078 0.020 . 1 . . . . C 755 TRP HH2 . 30590 1 1411 . 3 . 3 23 23 TRP C C 13 177.411 0.3 . 1 . . . . C 755 TRP C . 30590 1 1412 . 3 . 3 23 23 TRP CA C 13 58.993 0.3 . 1 . . . . C 755 TRP CA . 30590 1 1413 . 3 . 3 23 23 TRP CB C 13 30.918 0.3 . 1 . . . . C 755 TRP CB . 30590 1 1414 . 3 . 3 23 23 TRP CD1 C 13 127.887 0.3 . 1 . . . . C 755 TRP CD1 . 30590 1 1415 . 3 . 3 23 23 TRP CE3 C 13 121.690 0.3 . 1 . . . . C 755 TRP CE3 . 30590 1 1416 . 3 . 3 23 23 TRP CZ2 C 13 115.191 0.3 . 1 . . . . C 755 TRP CZ2 . 30590 1 1417 . 3 . 3 23 23 TRP CZ3 C 13 120.581 0.3 . 1 . . . . C 755 TRP CZ3 . 30590 1 1418 . 3 . 3 23 23 TRP CH2 C 13 123.832 0.3 . 1 . . . . C 755 TRP CH2 . 30590 1 1419 . 3 . 3 23 23 TRP N N 15 119.705 0.3 . 1 . . . . C 755 TRP N . 30590 1 1420 . 3 . 3 23 23 TRP NE1 N 15 129.221 0.3 . 1 . . . . C 755 TRP NE1 . 30590 1 1421 . 3 . 3 24 24 THR H H 1 8.271 0.020 . 1 . . . . C 756 THR H . 30590 1 1422 . 3 . 3 24 24 THR HA H 1 3.621 0.020 . 1 . . . . C 756 THR HA . 30590 1 1423 . 3 . 3 24 24 THR HB H 1 4.384 0.020 . 1 . . . . C 756 THR HB . 30590 1 1424 . 3 . 3 24 24 THR HG21 H 1 0.978 0.020 . 1 . . . . C 756 THR HG21 . 30590 1 1425 . 3 . 3 24 24 THR HG22 H 1 0.978 0.020 . 1 . . . . C 756 THR HG22 . 30590 1 1426 . 3 . 3 24 24 THR HG23 H 1 0.978 0.020 . 1 . . . . C 756 THR HG23 . 30590 1 1427 . 3 . 3 24 24 THR C C 13 176.503 0.3 . 1 . . . . C 756 THR C . 30590 1 1428 . 3 . 3 24 24 THR CA C 13 67.583 0.3 . 1 . . . . C 756 THR CA . 30590 1 1429 . 3 . 3 24 24 THR CB C 13 68.121 0.3 . 1 . . . . C 756 THR CB . 30590 1 1430 . 3 . 3 24 24 THR CG2 C 13 21.595 0.3 . 1 . . . . C 756 THR CG2 . 30590 1 1431 . 3 . 3 24 24 THR N N 15 117.748 0.3 . 1 . . . . C 756 THR N . 30590 1 1432 . 3 . 3 25 25 TYR H H 1 7.886 0.020 . 1 . . . . C 757 TYR H . 30590 1 1433 . 3 . 3 25 25 TYR HA H 1 3.990 0.020 . 1 . . . . C 757 TYR HA . 30590 1 1434 . 3 . 3 25 25 TYR HB2 H 1 2.638 0.020 . 2 . . . . C 757 TYR HB2 . 30590 1 1435 . 3 . 3 25 25 TYR HB3 H 1 3.195 0.020 . 2 . . . . C 757 TYR HB3 . 30590 1 1436 . 3 . 3 25 25 TYR HD1 H 1 7.069 0.020 . 1 . . . . C 757 TYR HD1 . 30590 1 1437 . 3 . 3 25 25 TYR HD2 H 1 7.069 0.020 . 1 . . . . C 757 TYR HD2 . 30590 1 1438 . 3 . 3 25 25 TYR HE1 H 1 6.581 0.020 . 1 . . . . C 757 TYR HE1 . 30590 1 1439 . 3 . 3 25 25 TYR HE2 H 1 6.581 0.020 . 1 . . . . C 757 TYR HE2 . 30590 1 1440 . 3 . 3 25 25 TYR C C 13 177.153 0.3 . 1 . . . . C 757 TYR C . 30590 1 1441 . 3 . 3 25 25 TYR CA C 13 63.023 0.3 . 1 . . . . C 757 TYR CA . 30590 1 1442 . 3 . 3 25 25 TYR CB C 13 39.005 0.3 . 1 . . . . C 757 TYR CB . 30590 1 1443 . 3 . 3 25 25 TYR CD1 C 13 132.505 0.3 . 1 . . . . C 757 TYR CD1 . 30590 1 1444 . 3 . 3 25 25 TYR CE1 C 13 118.303 0.3 . 1 . . . . C 757 TYR CE1 . 30590 1 1445 . 3 . 3 25 25 TYR N N 15 119.676 0.3 . 1 . . . . C 757 TYR N . 30590 1 1446 . 3 . 3 26 26 ILE H H 1 8.774 0.020 . 1 . . . . C 758 ILE H . 30590 1 1447 . 3 . 3 26 26 ILE HA H 1 3.462 0.020 . 1 . . . . C 758 ILE HA . 30590 1 1448 . 3 . 3 26 26 ILE HB H 1 1.966 0.020 . 1 . . . . C 758 ILE HB . 30590 1 1449 . 3 . 3 26 26 ILE HG12 H 1 0.741 0.020 . 2 . . . . C 758 ILE HG12 . 30590 1 1450 . 3 . 3 26 26 ILE HG13 H 1 0.828 0.020 . 2 . . . . C 758 ILE HG13 . 30590 1 1451 . 3 . 3 26 26 ILE HG21 H 1 0.788 0.020 . 1 . . . . C 758 ILE HG21 . 30590 1 1452 . 3 . 3 26 26 ILE HG22 H 1 0.788 0.020 . 1 . . . . C 758 ILE HG22 . 30590 1 1453 . 3 . 3 26 26 ILE HG23 H 1 0.788 0.020 . 1 . . . . C 758 ILE HG23 . 30590 1 1454 . 3 . 3 26 26 ILE HD11 H 1 0.962 0.020 . 1 . . . . C 758 ILE HD11 . 30590 1 1455 . 3 . 3 26 26 ILE HD12 H 1 0.962 0.020 . 1 . . . . C 758 ILE HD12 . 30590 1 1456 . 3 . 3 26 26 ILE HD13 H 1 0.962 0.020 . 1 . . . . C 758 ILE HD13 . 30590 1 1457 . 3 . 3 26 26 ILE CA C 13 65.837 0.3 . 1 . . . . C 758 ILE CA . 30590 1 1458 . 3 . 3 26 26 ILE CB C 13 38.187 0.3 . 1 . . . . C 758 ILE CB . 30590 1 1459 . 3 . 3 26 26 ILE CG1 C 13 30.070 0.3 . 1 . . . . C 758 ILE CG1 . 30590 1 1460 . 3 . 3 26 26 ILE CG2 C 13 17.253 0.3 . 1 . . . . C 758 ILE CG2 . 30590 1 1461 . 3 . 3 26 26 ILE CD1 C 13 14.983 0.3 . 1 . . . . C 758 ILE CD1 . 30590 1 1462 . 3 . 3 26 26 ILE N N 15 120.474 0.3 . 1 . . . . C 758 ILE N . 30590 1 1463 . 3 . 3 27 27 GLN H H 1 8.279 0.020 . 1 . . . . C 759 GLN H . 30590 1 1464 . 3 . 3 27 27 GLN HA H 1 3.374 0.020 . 1 . . . . C 759 GLN HA . 30590 1 1465 . 3 . 3 27 27 GLN HB2 H 1 1.475 0.020 . 2 . . . . C 759 GLN HB2 . 30590 1 1466 . 3 . 3 27 27 GLN HB3 H 1 1.641 0.020 . 2 . . . . C 759 GLN HB3 . 30590 1 1467 . 3 . 3 27 27 GLN HG2 H 1 1.050 0.020 . 2 . . . . C 759 GLN HG2 . 30590 1 1468 . 3 . 3 27 27 GLN HG3 H 1 1.191 0.020 . 2 . . . . C 759 GLN HG3 . 30590 1 1469 . 3 . 3 27 27 GLN HE21 H 1 6.623 0.020 . 1 . . . . C 759 GLN HE21 . 30590 1 1470 . 3 . 3 27 27 GLN HE22 H 1 5.829 0.020 . 1 . . . . C 759 GLN HE22 . 30590 1 1471 . 3 . 3 27 27 GLN C C 13 178.142 0.3 . 1 . . . . C 759 GLN C . 30590 1 1472 . 3 . 3 27 27 GLN CA C 13 59.929 0.3 . 1 . . . . C 759 GLN CA . 30590 1 1473 . 3 . 3 27 27 GLN CB C 13 29.940 0.3 . 1 . . . . C 759 GLN CB . 30590 1 1474 . 3 . 3 27 27 GLN CG C 13 34.774 0.3 . 1 . . . . C 759 GLN CG . 30590 1 1475 . 3 . 3 27 27 GLN N N 15 118.015 0.3 . 1 . . . . C 759 GLN N . 30590 1 1476 . 3 . 3 27 27 GLN NE2 N 15 109.398 0.3 . 1 . . . . C 759 GLN NE2 . 30590 1 1477 . 3 . 3 28 28 ALA H H 1 7.524 0.020 . 1 . . . . C 760 ALA H . 30590 1 1478 . 3 . 3 28 28 ALA HA H 1 4.175 0.020 . 1 . . . . C 760 ALA HA . 30590 1 1479 . 3 . 3 28 28 ALA HB1 H 1 1.612 0.020 . 1 . . . . C 760 ALA HB1 . 30590 1 1480 . 3 . 3 28 28 ALA HB2 H 1 1.612 0.020 . 1 . . . . C 760 ALA HB2 . 30590 1 1481 . 3 . 3 28 28 ALA HB3 H 1 1.612 0.020 . 1 . . . . C 760 ALA HB3 . 30590 1 1482 . 3 . 3 28 28 ALA C C 13 181.037 0.3 . 1 . . . . C 760 ALA C . 30590 1 1483 . 3 . 3 28 28 ALA CA C 13 55.419 0.3 . 1 . . . . C 760 ALA CA . 30590 1 1484 . 3 . 3 28 28 ALA CB C 13 19.417 0.3 . 1 . . . . C 760 ALA CB . 30590 1 1485 . 3 . 3 28 28 ALA N N 15 122.345 0.3 . 1 . . . . C 760 ALA N . 30590 1 1486 . 3 . 3 29 29 MET H H 1 8.323 0.020 . 1 . . . . C 761 MET H . 30590 1 1487 . 3 . 3 29 29 MET HA H 1 2.953 0.020 . 1 . . . . C 761 MET HA . 30590 1 1488 . 3 . 3 29 29 MET HB2 H 1 1.036 0.020 . 2 . . . . C 761 MET HB2 . 30590 1 1489 . 3 . 3 29 29 MET HB3 H 1 1.357 0.020 . 2 . . . . C 761 MET HB3 . 30590 1 1490 . 3 . 3 29 29 MET HG2 H 1 1.294 0.020 . 2 . . . . C 761 MET HG2 . 30590 1 1491 . 3 . 3 29 29 MET HG3 H 1 1.471 0.020 . 2 . . . . C 761 MET HG3 . 30590 1 1492 . 3 . 3 29 29 MET HE1 H 1 1.612 0.020 . 1 . . . . C 761 MET HE1 . 30590 1 1493 . 3 . 3 29 29 MET HE2 H 1 1.612 0.020 . 1 . . . . C 761 MET HE2 . 30590 1 1494 . 3 . 3 29 29 MET HE3 H 1 1.612 0.020 . 1 . . . . C 761 MET HE3 . 30590 1 1495 . 3 . 3 29 29 MET C C 13 178.990 0.3 . 1 . . . . C 761 MET C . 30590 1 1496 . 3 . 3 29 29 MET CA C 13 59.649 0.3 . 1 . . . . C 761 MET CA . 30590 1 1497 . 3 . 3 29 29 MET CB C 13 32.669 0.3 . 1 . . . . C 761 MET CB . 30590 1 1498 . 3 . 3 29 29 MET CG C 13 30.377 0.3 . 1 . . . . C 761 MET CG . 30590 1 1499 . 3 . 3 29 29 MET CE C 13 16.592 0.3 . 1 . . . . C 761 MET CE . 30590 1 1500 . 3 . 3 29 29 MET N N 15 120.589 0.3 . 1 . . . . C 761 MET N . 30590 1 1501 . 3 . 3 30 30 LEU H H 1 8.091 0.020 . 1 . . . . C 762 LEU H . 30590 1 1502 . 3 . 3 30 30 LEU HA H 1 4.167 0.020 . 1 . . . . C 762 LEU HA . 30590 1 1503 . 3 . 3 30 30 LEU HB2 H 1 1.655 0.020 . 1 . . . . C 762 LEU HB2 . 30590 1 1504 . 3 . 3 30 30 LEU HB3 H 1 1.655 0.020 . 1 . . . . C 762 LEU HB3 . 30590 1 1505 . 3 . 3 30 30 LEU HG H 1 1.580 0.020 . 1 . . . . C 762 LEU HG . 30590 1 1506 . 3 . 3 30 30 LEU HD11 H 1 0.738 0.020 . 1 . . . . C 762 LEU HD11 . 30590 1 1507 . 3 . 3 30 30 LEU HD12 H 1 0.738 0.020 . 1 . . . . C 762 LEU HD12 . 30590 1 1508 . 3 . 3 30 30 LEU HD13 H 1 0.738 0.020 . 1 . . . . C 762 LEU HD13 . 30590 1 1509 . 3 . 3 30 30 LEU CA C 13 56.454 0.3 . 1 . . . . C 762 LEU CA . 30590 1 1510 . 3 . 3 30 30 LEU CB C 13 41.759 0.3 . 1 . . . . C 762 LEU CB . 30590 1 1511 . 3 . 3 30 30 LEU CG C 13 27.024 0.3 . 1 . . . . C 762 LEU CG . 30590 1 1512 . 3 . 3 30 30 LEU CD1 C 13 22.909 0.3 . 1 . . . . C 762 LEU CD1 . 30590 1 1513 . 3 . 3 30 30 LEU N N 15 117.426 0.3 . 1 . . . . C 762 LEU N . 30590 1 1514 . 3 . 3 31 31 THR H H 1 7.789 0.020 . 1 . . . . C 763 THR H . 30590 1 1515 . 3 . 3 31 31 THR HA H 1 4.023 0.020 . 1 . . . . C 763 THR HA . 30590 1 1516 . 3 . 3 31 31 THR HB H 1 4.514 0.020 . 1 . . . . C 763 THR HB . 30590 1 1517 . 3 . 3 31 31 THR HG21 H 1 1.196 0.020 . 1 . . . . C 763 THR HG21 . 30590 1 1518 . 3 . 3 31 31 THR HG22 H 1 1.196 0.020 . 1 . . . . C 763 THR HG22 . 30590 1 1519 . 3 . 3 31 31 THR HG23 H 1 1.196 0.020 . 1 . . . . C 763 THR HG23 . 30590 1 1520 . 3 . 3 31 31 THR C C 13 174.816 0.3 . 1 . . . . C 763 THR C . 30590 1 1521 . 3 . 3 31 31 THR CA C 13 66.761 0.3 . 1 . . . . C 763 THR CA . 30590 1 1522 . 3 . 3 31 31 THR CB C 13 69.034 0.3 . 1 . . . . C 763 THR CB . 30590 1 1523 . 3 . 3 31 31 THR CG2 C 13 21.199 0.3 . 1 . . . . C 763 THR CG2 . 30590 1 1524 . 3 . 3 31 31 THR N N 15 116.912 0.3 . 1 . . . . C 763 THR N . 30590 1 1525 . 3 . 3 32 32 ASN H H 1 7.160 0.020 . 1 . . . . C 764 ASN H . 30590 1 1526 . 3 . 3 32 32 ASN HA H 1 4.890 0.020 . 1 . . . . C 764 ASN HA . 30590 1 1527 . 3 . 3 32 32 ASN HB2 H 1 2.815 0.020 . 2 . . . . C 764 ASN HB2 . 30590 1 1528 . 3 . 3 32 32 ASN HB3 H 1 3.218 0.020 . 2 . . . . C 764 ASN HB3 . 30590 1 1529 . 3 . 3 32 32 ASN HD21 H 1 7.625 0.020 . 1 . . . . C 764 ASN HD21 . 30590 1 1530 . 3 . 3 32 32 ASN HD22 H 1 6.932 0.020 . 1 . . . . C 764 ASN HD22 . 30590 1 1531 . 3 . 3 32 32 ASN C C 13 175.339 0.3 . 1 . . . . C 764 ASN C . 30590 1 1532 . 3 . 3 32 32 ASN CA C 13 55.554 0.3 . 1 . . . . C 764 ASN CA . 30590 1 1533 . 3 . 3 32 32 ASN CB C 13 42.135 0.3 . 1 . . . . C 764 ASN CB . 30590 1 1534 . 3 . 3 32 32 ASN N N 15 116.782 0.3 . 1 . . . . C 764 ASN N . 30590 1 1535 . 3 . 3 32 32 ASN ND2 N 15 112.754 0.3 . 1 . . . . C 764 ASN ND2 . 30590 1 1536 . 3 . 3 33 33 LEU H H 1 8.377 0.020 . 1 . . . . C 765 LEU H . 30590 1 1537 . 3 . 3 33 33 LEU HA H 1 4.531 0.020 . 1 . . . . C 765 LEU HA . 30590 1 1538 . 3 . 3 33 33 LEU HB2 H 1 1.479 0.020 . 2 . . . . C 765 LEU HB2 . 30590 1 1539 . 3 . 3 33 33 LEU HB3 H 1 1.518 0.020 . 2 . . . . C 765 LEU HB3 . 30590 1 1540 . 3 . 3 33 33 LEU HG H 1 1.637 0.020 . 1 . . . . C 765 LEU HG . 30590 1 1541 . 3 . 3 33 33 LEU HD11 H 1 0.856 0.020 . 2 . . . . C 765 LEU HD11 . 30590 1 1542 . 3 . 3 33 33 LEU HD12 H 1 0.856 0.020 . 2 . . . . C 765 LEU HD12 . 30590 1 1543 . 3 . 3 33 33 LEU HD13 H 1 0.856 0.020 . 2 . . . . C 765 LEU HD13 . 30590 1 1544 . 3 . 3 33 33 LEU HD21 H 1 0.710 0.020 . 2 . . . . C 765 LEU HD21 . 30590 1 1545 . 3 . 3 33 33 LEU HD22 H 1 0.710 0.020 . 2 . . . . C 765 LEU HD22 . 30590 1 1546 . 3 . 3 33 33 LEU HD23 H 1 0.710 0.020 . 2 . . . . C 765 LEU HD23 . 30590 1 1547 . 3 . 3 33 33 LEU C C 13 177.271 0.3 . 1 . . . . C 765 LEU C . 30590 1 1548 . 3 . 3 33 33 LEU CA C 13 54.609 0.3 . 1 . . . . C 765 LEU CA . 30590 1 1549 . 3 . 3 33 33 LEU CB C 13 42.186 0.3 . 1 . . . . C 765 LEU CB . 30590 1 1550 . 3 . 3 33 33 LEU CG C 13 27.045 0.3 . 1 . . . . C 765 LEU CG . 30590 1 1551 . 3 . 3 33 33 LEU CD1 C 13 22.256 0.3 . 1 . . . . C 765 LEU CD1 . 30590 1 1552 . 3 . 3 33 33 LEU CD2 C 13 25.797 0.3 . 1 . . . . C 765 LEU CD2 . 30590 1 1553 . 3 . 3 33 33 LEU N N 15 118.443 0.3 . 1 . . . . C 765 LEU N . 30590 1 1554 . 3 . 3 34 34 GLU H H 1 8.142 0.020 . 1 . . . . C 766 GLU H . 30590 1 1555 . 3 . 3 34 34 GLU HA H 1 3.924 0.020 . 1 . . . . C 766 GLU HA . 30590 1 1556 . 3 . 3 34 34 GLU HB2 H 1 2.185 0.020 . 2 . . . . C 766 GLU HB2 . 30590 1 1557 . 3 . 3 34 34 GLU HB3 H 1 2.296 0.020 . 2 . . . . C 766 GLU HB3 . 30590 1 1558 . 3 . 3 34 34 GLU HG2 H 1 2.192 0.020 . 2 . . . . C 766 GLU HG2 . 30590 1 1559 . 3 . 3 34 34 GLU HG3 H 1 2.287 0.020 . 2 . . . . C 766 GLU HG3 . 30590 1 1560 . 3 . 3 34 34 GLU C C 13 176.915 0.3 . 1 . . . . C 766 GLU C . 30590 1 1561 . 3 . 3 34 34 GLU CA C 13 61.300 0.3 . 1 . . . . C 766 GLU CA . 30590 1 1562 . 3 . 3 34 34 GLU CB C 13 29.777 0.3 . 1 . . . . C 766 GLU CB . 30590 1 1563 . 3 . 3 34 34 GLU CG C 13 36.672 0.3 . 1 . . . . C 766 GLU CG . 30590 1 1564 . 3 . 3 34 34 GLU N N 15 117.834 0.3 . 1 . . . . C 766 GLU N . 30590 1 1565 . 3 . 3 35 35 SER H H 1 8.022 0.020 . 1 . . . . C 767 SER H . 30590 1 1566 . 3 . 3 35 35 SER HA H 1 5.264 0.020 . 1 . . . . C 767 SER HA . 30590 1 1567 . 3 . 3 35 35 SER HB2 H 1 3.526 0.020 . 2 . . . . C 767 SER HB2 . 30590 1 1568 . 3 . 3 35 35 SER HB3 H 1 3.745 0.020 . 2 . . . . C 767 SER HB3 . 30590 1 1569 . 3 . 3 35 35 SER C C 13 172.748 0.3 . 1 . . . . C 767 SER C . 30590 1 1570 . 3 . 3 35 35 SER CA C 13 56.983 0.3 . 1 . . . . C 767 SER CA . 30590 1 1571 . 3 . 3 35 35 SER CB C 13 65.475 0.3 . 1 . . . . C 767 SER CB . 30590 1 1572 . 3 . 3 35 35 SER N N 15 111.771 0.3 . 1 . . . . C 767 SER N . 30590 1 1573 . 3 . 3 36 36 LEU H H 1 8.401 0.020 . 1 . . . . C 768 LEU H . 30590 1 1574 . 3 . 3 36 36 LEU HA H 1 4.924 0.020 . 1 . . . . C 768 LEU HA . 30590 1 1575 . 3 . 3 36 36 LEU HB2 H 1 1.531 0.020 . 2 . . . . C 768 LEU HB2 . 30590 1 1576 . 3 . 3 36 36 LEU HB3 H 1 1.592 0.020 . 2 . . . . C 768 LEU HB3 . 30590 1 1577 . 3 . 3 36 36 LEU HG H 1 1.371 0.020 . 1 . . . . C 768 LEU HG . 30590 1 1578 . 3 . 3 36 36 LEU HD11 H 1 0.645 0.020 . 2 . . . . C 768 LEU HD11 . 30590 1 1579 . 3 . 3 36 36 LEU HD12 H 1 0.645 0.020 . 2 . . . . C 768 LEU HD12 . 30590 1 1580 . 3 . 3 36 36 LEU HD13 H 1 0.645 0.020 . 2 . . . . C 768 LEU HD13 . 30590 1 1581 . 3 . 3 36 36 LEU HD21 H 1 0.735 0.020 . 2 . . . . C 768 LEU HD21 . 30590 1 1582 . 3 . 3 36 36 LEU HD22 H 1 0.735 0.020 . 2 . . . . C 768 LEU HD22 . 30590 1 1583 . 3 . 3 36 36 LEU HD23 H 1 0.735 0.020 . 2 . . . . C 768 LEU HD23 . 30590 1 1584 . 3 . 3 36 36 LEU C C 13 176.093 0.3 . 1 . . . . C 768 LEU C . 30590 1 1585 . 3 . 3 36 36 LEU CA C 13 54.694 0.3 . 1 . . . . C 768 LEU CA . 30590 1 1586 . 3 . 3 36 36 LEU CB C 13 50.031 0.3 . 1 . . . . C 768 LEU CB . 30590 1 1587 . 3 . 3 36 36 LEU CG C 13 26.890 0.3 . 1 . . . . C 768 LEU CG . 30590 1 1588 . 3 . 3 36 36 LEU CD1 C 13 26.704 0.3 . 1 . . . . C 768 LEU CD1 . 30590 1 1589 . 3 . 3 36 36 LEU CD2 C 13 23.118 0.3 . 1 . . . . C 768 LEU CD2 . 30590 1 1590 . 3 . 3 36 36 LEU N N 15 118.896 0.3 . 1 . . . . C 768 LEU N . 30590 1 1591 . 3 . 3 37 37 SER H H 1 7.680 0.020 . 1 . . . . C 769 SER H . 30590 1 1592 . 3 . 3 37 37 SER HA H 1 4.981 0.020 . 1 . . . . C 769 SER HA . 30590 1 1593 . 3 . 3 37 37 SER HB2 H 1 4.206 0.020 . 2 . . . . C 769 SER HB2 . 30590 1 1594 . 3 . 3 37 37 SER HB3 H 1 4.640 0.020 . 2 . . . . C 769 SER HB3 . 30590 1 1595 . 3 . 3 37 37 SER C C 13 174.679 0.3 . 1 . . . . C 769 SER C . 30590 1 1596 . 3 . 3 37 37 SER CA C 13 56.965 0.3 . 1 . . . . C 769 SER CA . 30590 1 1597 . 3 . 3 37 37 SER CB C 13 65.238 0.3 . 1 . . . . C 769 SER CB . 30590 1 1598 . 3 . 3 37 37 SER N N 15 116.218 0.3 . 1 . . . . C 769 SER N . 30590 1 1599 . 3 . 3 38 38 LEU H H 1 9.493 0.020 . 1 . . . . C 770 LEU H . 30590 1 1600 . 3 . 3 38 38 LEU HA H 1 4.058 0.020 . 1 . . . . C 770 LEU HA . 30590 1 1601 . 3 . 3 38 38 LEU HB2 H 1 1.887 0.020 . 2 . . . . C 770 LEU HB2 . 30590 1 1602 . 3 . 3 38 38 LEU HB3 H 1 2.046 0.020 . 2 . . . . C 770 LEU HB3 . 30590 1 1603 . 3 . 3 38 38 LEU HG H 1 1.591 0.020 . 1 . . . . C 770 LEU HG . 30590 1 1604 . 3 . 3 38 38 LEU HD11 H 1 0.953 0.020 . 2 . . . . C 770 LEU HD11 . 30590 1 1605 . 3 . 3 38 38 LEU HD12 H 1 0.953 0.020 . 2 . . . . C 770 LEU HD12 . 30590 1 1606 . 3 . 3 38 38 LEU HD13 H 1 0.953 0.020 . 2 . . . . C 770 LEU HD13 . 30590 1 1607 . 3 . 3 38 38 LEU HD21 H 1 0.853 0.020 . 2 . . . . C 770 LEU HD21 . 30590 1 1608 . 3 . 3 38 38 LEU HD22 H 1 0.853 0.020 . 2 . . . . C 770 LEU HD22 . 30590 1 1609 . 3 . 3 38 38 LEU HD23 H 1 0.853 0.020 . 2 . . . . C 770 LEU HD23 . 30590 1 1610 . 3 . 3 38 38 LEU C C 13 177.755 0.3 . 1 . . . . C 770 LEU C . 30590 1 1611 . 3 . 3 38 38 LEU CA C 13 58.794 0.3 . 1 . . . . C 770 LEU CA . 30590 1 1612 . 3 . 3 38 38 LEU CB C 13 41.935 0.3 . 1 . . . . C 770 LEU CB . 30590 1 1613 . 3 . 3 38 38 LEU CG C 13 27.061 0.3 . 1 . . . . C 770 LEU CG . 30590 1 1614 . 3 . 3 38 38 LEU CD1 C 13 26.203 0.3 . 1 . . . . C 770 LEU CD1 . 30590 1 1615 . 3 . 3 38 38 LEU CD2 C 13 23.142 0.3 . 1 . . . . C 770 LEU CD2 . 30590 1 1616 . 3 . 3 38 38 LEU N N 15 121.040 0.3 . 1 . . . . C 770 LEU N . 30590 1 1617 . 3 . 3 39 39 ASP H H 1 8.557 0.020 . 1 . . . . C 771 ASP H . 30590 1 1618 . 3 . 3 39 39 ASP HA H 1 4.310 0.020 . 1 . . . . C 771 ASP HA . 30590 1 1619 . 3 . 3 39 39 ASP HB2 H 1 2.680 0.020 . 1 . . . . C 771 ASP HB2 . 30590 1 1620 . 3 . 3 39 39 ASP HB3 H 1 2.680 0.020 . 1 . . . . C 771 ASP HB3 . 30590 1 1621 . 3 . 3 39 39 ASP C C 13 178.685 0.3 . 1 . . . . C 771 ASP C . 30590 1 1622 . 3 . 3 39 39 ASP CA C 13 57.682 0.3 . 1 . . . . C 771 ASP CA . 30590 1 1623 . 3 . 3 39 39 ASP CB C 13 41.135 0.3 . 1 . . . . C 771 ASP CB . 30590 1 1624 . 3 . 3 39 39 ASP N N 15 115.080 0.3 . 1 . . . . C 771 ASP N . 30590 1 1625 . 3 . 3 40 40 ARG H H 1 7.532 0.020 . 1 . . . . C 772 ARG H . 30590 1 1626 . 3 . 3 40 40 ARG HA H 1 4.205 0.020 . 1 . . . . C 772 ARG HA . 30590 1 1627 . 3 . 3 40 40 ARG HB2 H 1 1.744 0.020 . 1 . . . . C 772 ARG HB2 . 30590 1 1628 . 3 . 3 40 40 ARG HB3 H 1 1.744 0.020 . 1 . . . . C 772 ARG HB3 . 30590 1 1629 . 3 . 3 40 40 ARG HG2 H 1 1.903 0.020 . 1 . . . . C 772 ARG HG2 . 30590 1 1630 . 3 . 3 40 40 ARG HG3 H 1 1.903 0.020 . 1 . . . . C 772 ARG HG3 . 30590 1 1631 . 3 . 3 40 40 ARG HD2 H 1 2.972 0.020 . 1 . . . . C 772 ARG HD2 . 30590 1 1632 . 3 . 3 40 40 ARG HD3 H 1 2.972 0.020 . 1 . . . . C 772 ARG HD3 . 30590 1 1633 . 3 . 3 40 40 ARG C C 13 179.244 0.3 . 1 . . . . C 772 ARG C . 30590 1 1634 . 3 . 3 40 40 ARG CA C 13 59.900 0.3 . 1 . . . . C 772 ARG CA . 30590 1 1635 . 3 . 3 40 40 ARG CB C 13 32.463 0.3 . 1 . . . . C 772 ARG CB . 30590 1 1636 . 3 . 3 40 40 ARG CG C 13 27.621 0.3 . 1 . . . . C 772 ARG CG . 30590 1 1637 . 3 . 3 40 40 ARG CD C 13 41.927 0.3 . 1 . . . . C 772 ARG CD . 30590 1 1638 . 3 . 3 40 40 ARG N N 15 118.657 0.3 . 1 . . . . C 772 ARG N . 30590 1 1639 . 3 . 3 41 41 ILE H H 1 8.029 0.020 . 1 . . . . C 773 ILE H . 30590 1 1640 . 3 . 3 41 41 ILE HA H 1 3.478 0.020 . 1 . . . . C 773 ILE HA . 30590 1 1641 . 3 . 3 41 41 ILE HB H 1 1.944 0.020 . 1 . . . . C 773 ILE HB . 30590 1 1642 . 3 . 3 41 41 ILE HG12 H 1 0.930 0.020 . 2 . . . . C 773 ILE HG12 . 30590 1 1643 . 3 . 3 41 41 ILE HG13 H 1 1.941 0.020 . 2 . . . . C 773 ILE HG13 . 30590 1 1644 . 3 . 3 41 41 ILE HG21 H 1 0.808 0.020 . 1 . . . . C 773 ILE HG21 . 30590 1 1645 . 3 . 3 41 41 ILE HG22 H 1 0.808 0.020 . 1 . . . . C 773 ILE HG22 . 30590 1 1646 . 3 . 3 41 41 ILE HG23 H 1 0.808 0.020 . 1 . . . . C 773 ILE HG23 . 30590 1 1647 . 3 . 3 41 41 ILE HD11 H 1 0.680 0.020 . 1 . . . . C 773 ILE HD11 . 30590 1 1648 . 3 . 3 41 41 ILE HD12 H 1 0.680 0.020 . 1 . . . . C 773 ILE HD12 . 30590 1 1649 . 3 . 3 41 41 ILE HD13 H 1 0.680 0.020 . 1 . . . . C 773 ILE HD13 . 30590 1 1650 . 3 . 3 41 41 ILE C C 13 177.836 0.3 . 1 . . . . C 773 ILE C . 30590 1 1651 . 3 . 3 41 41 ILE CA C 13 66.060 0.3 . 1 . . . . C 773 ILE CA . 30590 1 1652 . 3 . 3 41 41 ILE CB C 13 38.894 0.3 . 1 . . . . C 773 ILE CB . 30590 1 1653 . 3 . 3 41 41 ILE CG1 C 13 27.029 0.3 . 1 . . . . C 773 ILE CG1 . 30590 1 1654 . 3 . 3 41 41 ILE CG2 C 13 17.685 0.3 . 1 . . . . C 773 ILE CG2 . 30590 1 1655 . 3 . 3 41 41 ILE CD1 C 13 13.458 0.3 . 1 . . . . C 773 ILE CD1 . 30590 1 1656 . 3 . 3 41 41 ILE N N 15 119.505 0.3 . 1 . . . . C 773 ILE N . 30590 1 1657 . 3 . 3 42 42 TYR H H 1 8.939 0.020 . 1 . . . . C 774 TYR H . 30590 1 1658 . 3 . 3 42 42 TYR HA H 1 3.783 0.020 . 1 . . . . C 774 TYR HA . 30590 1 1659 . 3 . 3 42 42 TYR HB2 H 1 2.891 0.020 . 2 . . . . C 774 TYR HB2 . 30590 1 1660 . 3 . 3 42 42 TYR HB3 H 1 3.066 0.020 . 2 . . . . C 774 TYR HB3 . 30590 1 1661 . 3 . 3 42 42 TYR HD1 H 1 6.894 0.020 . 1 . . . . C 774 TYR HD1 . 30590 1 1662 . 3 . 3 42 42 TYR HD2 H 1 6.894 0.020 . 1 . . . . C 774 TYR HD2 . 30590 1 1663 . 3 . 3 42 42 TYR HE1 H 1 6.720 0.020 . 1 . . . . C 774 TYR HE1 . 30590 1 1664 . 3 . 3 42 42 TYR HE2 H 1 6.720 0.020 . 1 . . . . C 774 TYR HE2 . 30590 1 1665 . 3 . 3 42 42 TYR C C 13 176.915 0.3 . 1 . . . . C 774 TYR C . 30590 1 1666 . 3 . 3 42 42 TYR CA C 13 61.918 0.3 . 1 . . . . C 774 TYR CA . 30590 1 1667 . 3 . 3 42 42 TYR CB C 13 38.901 0.3 . 1 . . . . C 774 TYR CB . 30590 1 1668 . 3 . 3 42 42 TYR CD1 C 13 132.956 0.3 . 1 . . . . C 774 TYR CD1 . 30590 1 1669 . 3 . 3 42 42 TYR CE1 C 13 118.013 0.3 . 1 . . . . C 774 TYR CE1 . 30590 1 1670 . 3 . 3 42 42 TYR N N 15 119.139 0.3 . 1 . . . . C 774 TYR N . 30590 1 1671 . 3 . 3 43 43 ASN H H 1 8.409 0.020 . 1 . . . . C 775 ASN H . 30590 1 1672 . 3 . 3 43 43 ASN HA H 1 4.101 0.020 . 1 . . . . C 775 ASN HA . 30590 1 1673 . 3 . 3 43 43 ASN HB2 H 1 2.589 0.020 . 2 . . . . C 775 ASN HB2 . 30590 1 1674 . 3 . 3 43 43 ASN HB3 H 1 2.931 0.020 . 2 . . . . C 775 ASN HB3 . 30590 1 1675 . 3 . 3 43 43 ASN HD21 H 1 7.941 0.020 . 1 . . . . C 775 ASN HD21 . 30590 1 1676 . 3 . 3 43 43 ASN HD22 H 1 6.942 0.020 . 1 . . . . C 775 ASN HD22 . 30590 1 1677 . 3 . 3 43 43 ASN C C 13 178.357 0.3 . 1 . . . . C 775 ASN C . 30590 1 1678 . 3 . 3 43 43 ASN CA C 13 56.246 0.3 . 1 . . . . C 775 ASN CA . 30590 1 1679 . 3 . 3 43 43 ASN CB C 13 38.431 0.3 . 1 . . . . C 775 ASN CB . 30590 1 1680 . 3 . 3 43 43 ASN N N 15 115.407 0.3 . 1 . . . . C 775 ASN N . 30590 1 1681 . 3 . 3 43 43 ASN ND2 N 15 113.420 0.3 . 1 . . . . C 775 ASN ND2 . 30590 1 1682 . 3 . 3 44 44 MET H H 1 7.729 0.020 . 1 . . . . C 776 MET H . 30590 1 1683 . 3 . 3 44 44 MET HA H 1 4.229 0.020 . 1 . . . . C 776 MET HA . 30590 1 1684 . 3 . 3 44 44 MET HB2 H 1 1.974 0.020 . 1 . . . . C 776 MET HB2 . 30590 1 1685 . 3 . 3 44 44 MET HB3 H 1 1.974 0.020 . 1 . . . . C 776 MET HB3 . 30590 1 1686 . 3 . 3 44 44 MET HG2 H 1 2.602 0.020 . 2 . . . . C 776 MET HG2 . 30590 1 1687 . 3 . 3 44 44 MET HG3 H 1 2.692 0.020 . 2 . . . . C 776 MET HG3 . 30590 1 1688 . 3 . 3 44 44 MET HE1 H 1 1.988 0.020 . 1 . . . . C 776 MET HE1 . 30590 1 1689 . 3 . 3 44 44 MET HE2 H 1 1.988 0.020 . 1 . . . . C 776 MET HE2 . 30590 1 1690 . 3 . 3 44 44 MET HE3 H 1 1.988 0.020 . 1 . . . . C 776 MET HE3 . 30590 1 1691 . 3 . 3 44 44 MET C C 13 178.499 0.3 . 1 . . . . C 776 MET C . 30590 1 1692 . 3 . 3 44 44 MET CA C 13 59.451 0.3 . 1 . . . . C 776 MET CA . 30590 1 1693 . 3 . 3 44 44 MET CB C 13 33.577 0.3 . 1 . . . . C 776 MET CB . 30590 1 1694 . 3 . 3 44 44 MET CG C 13 33.924 0.3 . 1 . . . . C 776 MET CG . 30590 1 1695 . 3 . 3 44 44 MET CE C 13 18.105 0.3 . 1 . . . . C 776 MET CE . 30590 1 1696 . 3 . 3 44 44 MET N N 15 118.118 0.3 . 1 . . . . C 776 MET N . 30590 1 1697 . 3 . 3 45 45 LEU H H 1 8.402 0.020 . 1 . . . . C 777 LEU H . 30590 1 1698 . 3 . 3 45 45 LEU HA H 1 3.810 0.020 . 1 . . . . C 777 LEU HA . 30590 1 1699 . 3 . 3 45 45 LEU HB2 H 1 1.059 0.020 . 2 . . . . C 777 LEU HB2 . 30590 1 1700 . 3 . 3 45 45 LEU HB3 H 1 1.678 0.020 . 2 . . . . C 777 LEU HB3 . 30590 1 1701 . 3 . 3 45 45 LEU HG H 1 1.688 0.020 . 1 . . . . C 777 LEU HG . 30590 1 1702 . 3 . 3 45 45 LEU HD11 H 1 0.625 0.020 . 2 . . . . C 777 LEU HD11 . 30590 1 1703 . 3 . 3 45 45 LEU HD12 H 1 0.625 0.020 . 2 . . . . C 777 LEU HD12 . 30590 1 1704 . 3 . 3 45 45 LEU HD13 H 1 0.625 0.020 . 2 . . . . C 777 LEU HD13 . 30590 1 1705 . 3 . 3 45 45 LEU HD21 H 1 0.580 0.020 . 2 . . . . C 777 LEU HD21 . 30590 1 1706 . 3 . 3 45 45 LEU HD22 H 1 0.580 0.020 . 2 . . . . C 777 LEU HD22 . 30590 1 1707 . 3 . 3 45 45 LEU HD23 H 1 0.580 0.020 . 2 . . . . C 777 LEU HD23 . 30590 1 1708 . 3 . 3 45 45 LEU C C 13 178.244 0.3 . 1 . . . . C 777 LEU C . 30590 1 1709 . 3 . 3 45 45 LEU CA C 13 57.924 0.3 . 1 . . . . C 777 LEU CA . 30590 1 1710 . 3 . 3 45 45 LEU CB C 13 41.789 0.3 . 1 . . . . C 777 LEU CB . 30590 1 1711 . 3 . 3 45 45 LEU CG C 13 26.749 0.3 . 1 . . . . C 777 LEU CG . 30590 1 1712 . 3 . 3 45 45 LEU CD1 C 13 23.292 0.3 . 1 . . . . C 777 LEU CD1 . 30590 1 1713 . 3 . 3 45 45 LEU CD2 C 13 26.497 0.3 . 1 . . . . C 777 LEU CD2 . 30590 1 1714 . 3 . 3 45 45 LEU N N 15 119.311 0.3 . 1 . . . . C 777 LEU N . 30590 1 1715 . 3 . 3 46 46 ARG H H 1 7.953 0.020 . 1 . . . . C 778 ARG H . 30590 1 1716 . 3 . 3 46 46 ARG HA H 1 3.810 0.020 . 1 . . . . C 778 ARG HA . 30590 1 1717 . 3 . 3 46 46 ARG HB2 H 1 1.609 0.020 . 1 . . . . C 778 ARG HB2 . 30590 1 1718 . 3 . 3 46 46 ARG HB3 H 1 1.609 0.020 . 1 . . . . C 778 ARG HB3 . 30590 1 1719 . 3 . 3 46 46 ARG HG2 H 1 1.263 0.020 . 2 . . . . C 778 ARG HG2 . 30590 1 1720 . 3 . 3 46 46 ARG HG3 H 1 1.328 0.020 . 2 . . . . C 778 ARG HG3 . 30590 1 1721 . 3 . 3 46 46 ARG HD2 H 1 2.842 0.020 . 1 . . . . C 778 ARG HD2 . 30590 1 1722 . 3 . 3 46 46 ARG HD3 H 1 2.842 0.020 . 1 . . . . C 778 ARG HD3 . 30590 1 1723 . 3 . 3 46 46 ARG C C 13 179.242 0.3 . 1 . . . . C 778 ARG C . 30590 1 1724 . 3 . 3 46 46 ARG CA C 13 58.435 0.3 . 1 . . . . C 778 ARG CA . 30590 1 1725 . 3 . 3 46 46 ARG CB C 13 29.797 0.3 . 1 . . . . C 778 ARG CB . 30590 1 1726 . 3 . 3 46 46 ARG CG C 13 26.920 0.3 . 1 . . . . C 778 ARG CG . 30590 1 1727 . 3 . 3 46 46 ARG CD C 13 43.093 0.3 . 1 . . . . C 778 ARG CD . 30590 1 1728 . 3 . 3 46 46 ARG N N 15 115.771 0.3 . 1 . . . . C 778 ARG N . 30590 1 1729 . 3 . 3 47 47 MET H H 1 7.388 0.020 . 1 . . . . C 779 MET H . 30590 1 1730 . 3 . 3 47 47 MET HA H 1 4.407 0.020 . 1 . . . . C 779 MET HA . 30590 1 1731 . 3 . 3 47 47 MET HB2 H 1 2.441 0.020 . 2 . . . . C 779 MET HB2 . 30590 1 1732 . 3 . 3 47 47 MET HB3 H 1 2.519 0.020 . 2 . . . . C 779 MET HB3 . 30590 1 1733 . 3 . 3 47 47 MET HG2 H 1 1.914 0.020 . 1 . . . . C 779 MET HG2 . 30590 1 1734 . 3 . 3 47 47 MET HG3 H 1 1.914 0.020 . 1 . . . . C 779 MET HG3 . 30590 1 1735 . 3 . 3 47 47 MET HE1 H 1 1.936 0.020 . 1 . . . . C 779 MET HE1 . 30590 1 1736 . 3 . 3 47 47 MET HE2 H 1 1.936 0.020 . 1 . . . . C 779 MET HE2 . 30590 1 1737 . 3 . 3 47 47 MET HE3 H 1 1.936 0.020 . 1 . . . . C 779 MET HE3 . 30590 1 1738 . 3 . 3 47 47 MET C C 13 177.426 0.3 . 1 . . . . C 779 MET C . 30590 1 1739 . 3 . 3 47 47 MET CA C 13 56.032 0.3 . 1 . . . . C 779 MET CA . 30590 1 1740 . 3 . 3 47 47 MET CB C 13 32.260 0.3 . 1 . . . . C 779 MET CB . 30590 1 1741 . 3 . 3 47 47 MET CG C 13 31.839 0.3 . 1 . . . . C 779 MET CG . 30590 1 1742 . 3 . 3 47 47 MET CE C 13 17.713 0.3 . 1 . . . . C 779 MET CE . 30590 1 1743 . 3 . 3 47 47 MET N N 15 114.462 0.3 . 1 . . . . C 779 MET N . 30590 1 1744 . 3 . 3 48 48 PHE H H 1 7.813 0.020 . 1 . . . . C 780 PHE H . 30590 1 1745 . 3 . 3 48 48 PHE HA H 1 4.784 0.020 . 1 . . . . C 780 PHE HA . 30590 1 1746 . 3 . 3 48 48 PHE HB2 H 1 2.984 0.020 . 2 . . . . C 780 PHE HB2 . 30590 1 1747 . 3 . 3 48 48 PHE HB3 H 1 3.249 0.020 . 2 . . . . C 780 PHE HB3 . 30590 1 1748 . 3 . 3 48 48 PHE HD1 H 1 7.334 0.020 . 1 . . . . C 780 PHE HD1 . 30590 1 1749 . 3 . 3 48 48 PHE HD2 H 1 7.334 0.020 . 1 . . . . C 780 PHE HD2 . 30590 1 1750 . 3 . 3 48 48 PHE HE1 H 1 7.333 0.020 . 1 . . . . C 780 PHE HE1 . 30590 1 1751 . 3 . 3 48 48 PHE HE2 H 1 7.333 0.020 . 1 . . . . C 780 PHE HE2 . 30590 1 1752 . 3 . 3 48 48 PHE HZ H 1 7.425 0.020 . 1 . . . . C 780 PHE HZ . 30590 1 1753 . 3 . 3 48 48 PHE CA C 13 58.622 0.3 . 1 . . . . C 780 PHE CA . 30590 1 1754 . 3 . 3 48 48 PHE CB C 13 39.821 0.3 . 1 . . . . C 780 PHE CB . 30590 1 1755 . 3 . 3 48 48 PHE CD1 C 13 131.677 0.3 . 1 . . . . C 780 PHE CD1 . 30590 1 1756 . 3 . 3 48 48 PHE CE1 C 13 131.086 0.3 . 1 . . . . C 780 PHE CE1 . 30590 1 1757 . 3 . 3 48 48 PHE CZ C 13 132.310 0.3 . 1 . . . . C 780 PHE CZ . 30590 1 1758 . 3 . 3 48 48 PHE N N 15 115.971 0.3 . 1 . . . . C 780 PHE N . 30590 1 1759 . 3 . 3 49 49 VAL H H 1 7.662 0.020 . 1 . . . . C 781 VAL H . 30590 1 1760 . 3 . 3 49 49 VAL HA H 1 3.999 0.020 . 1 . . . . C 781 VAL HA . 30590 1 1761 . 3 . 3 49 49 VAL HB H 1 2.124 0.020 . 1 . . . . C 781 VAL HB . 30590 1 1762 . 3 . 3 49 49 VAL HG11 H 1 0.759 0.020 . 2 . . . . C 781 VAL HG11 . 30590 1 1763 . 3 . 3 49 49 VAL HG12 H 1 0.759 0.020 . 2 . . . . C 781 VAL HG12 . 30590 1 1764 . 3 . 3 49 49 VAL HG13 H 1 0.759 0.020 . 2 . . . . C 781 VAL HG13 . 30590 1 1765 . 3 . 3 49 49 VAL HG21 H 1 0.657 0.020 . 2 . . . . C 781 VAL HG21 . 30590 1 1766 . 3 . 3 49 49 VAL HG22 H 1 0.657 0.020 . 2 . . . . C 781 VAL HG22 . 30590 1 1767 . 3 . 3 49 49 VAL HG23 H 1 0.657 0.020 . 2 . . . . C 781 VAL HG23 . 30590 1 1768 . 3 . 3 49 49 VAL C C 13 176.386 0.3 . 1 . . . . C 781 VAL C . 30590 1 1769 . 3 . 3 49 49 VAL CA C 13 63.848 0.3 . 1 . . . . C 781 VAL CA . 30590 1 1770 . 3 . 3 49 49 VAL CB C 13 32.083 0.3 . 1 . . . . C 781 VAL CB . 30590 1 1771 . 3 . 3 49 49 VAL CG1 C 13 21.424 0.3 . 1 . . . . C 781 VAL CG1 . 30590 1 1772 . 3 . 3 49 49 VAL CG2 C 13 21.532 0.3 . 1 . . . . C 781 VAL CG2 . 30590 1 1773 . 3 . 3 49 49 VAL N N 15 118.864 0.3 . 1 . . . . C 781 VAL N . 30590 1 1774 . 3 . 3 50 50 VAL H H 1 7.500 0.020 . 1 . . . . C 782 VAL H . 30590 1 1775 . 3 . 3 50 50 VAL HA H 1 4.168 0.020 . 1 . . . . C 782 VAL HA . 30590 1 1776 . 3 . 3 50 50 VAL HB H 1 2.141 0.020 . 1 . . . . C 782 VAL HB . 30590 1 1777 . 3 . 3 50 50 VAL HG11 H 1 0.899 0.020 . 1 . . . . C 782 VAL HG11 . 30590 1 1778 . 3 . 3 50 50 VAL HG12 H 1 0.899 0.020 . 1 . . . . C 782 VAL HG12 . 30590 1 1779 . 3 . 3 50 50 VAL HG13 H 1 0.899 0.020 . 1 . . . . C 782 VAL HG13 . 30590 1 1780 . 3 . 3 50 50 VAL C C 13 176.667 0.3 . 1 . . . . C 782 VAL C . 30590 1 1781 . 3 . 3 50 50 VAL CA C 13 62.624 0.3 . 1 . . . . C 782 VAL CA . 30590 1 1782 . 3 . 3 50 50 VAL CB C 13 32.083 0.3 . 1 . . . . C 782 VAL CB . 30590 1 1783 . 3 . 3 50 50 VAL CG1 C 13 20.959 0.3 . 1 . . . . C 782 VAL CG1 . 30590 1 1784 . 3 . 3 50 50 VAL N N 15 119.089 0.3 . 1 . . . . C 782 VAL N . 30590 1 1785 . 3 . 3 51 51 THR H H 1 7.797 0.020 . 1 . . . . C 783 THR H . 30590 1 1786 . 3 . 3 51 51 THR HA H 1 4.378 0.020 . 1 . . . . C 783 THR HA . 30590 1 1787 . 3 . 3 51 51 THR HB H 1 4.233 0.020 . 1 . . . . C 783 THR HB . 30590 1 1788 . 3 . 3 51 51 THR HG21 H 1 1.087 0.020 . 1 . . . . C 783 THR HG21 . 30590 1 1789 . 3 . 3 51 51 THR HG22 H 1 1.087 0.020 . 1 . . . . C 783 THR HG22 . 30590 1 1790 . 3 . 3 51 51 THR HG23 H 1 1.087 0.020 . 1 . . . . C 783 THR HG23 . 30590 1 1791 . 3 . 3 51 51 THR C C 13 173.762 0.3 . 1 . . . . C 783 THR C . 30590 1 1792 . 3 . 3 51 51 THR CA C 13 61.398 0.3 . 1 . . . . C 783 THR CA . 30590 1 1793 . 3 . 3 51 51 THR CB C 13 70.067 0.3 . 1 . . . . C 783 THR CB . 30590 1 1794 . 3 . 3 51 51 THR CG2 C 13 21.772 0.3 . 1 . . . . C 783 THR CG2 . 30590 1 1795 . 3 . 3 51 51 THR N N 15 114.291 0.3 . 1 . . . . C 783 THR N . 30590 1 1796 . 3 . 3 52 52 GLY H H 1 7.971 0.020 . 1 . . . . C 784 GLY H . 30590 1 1797 . 3 . 3 52 52 GLY HA2 H 1 3.867 0.020 . 2 . . . . C 784 GLY HA2 . 30590 1 1798 . 3 . 3 52 52 GLY HA3 H 1 4.069 0.020 . 2 . . . . C 784 GLY HA3 . 30590 1 1799 . 3 . 3 52 52 GLY C C 13 171.631 0.3 . 1 . . . . C 784 GLY C . 30590 1 1800 . 3 . 3 52 52 GLY CA C 13 45.366 0.3 . 1 . . . . C 784 GLY CA . 30590 1 1801 . 3 . 3 52 52 GLY N N 15 110.415 0.3 . 1 . . . . C 784 GLY N . 30590 1 1802 . 3 . 3 53 53 PRO HA H 1 4.330 0.020 . 1 . . . . C 785 PRO HA . 30590 1 1803 . 3 . 3 53 53 PRO HB2 H 1 1.951 0.020 . 2 . . . . C 785 PRO HB2 . 30590 1 1804 . 3 . 3 53 53 PRO HB3 H 1 2.260 0.020 . 2 . . . . C 785 PRO HB3 . 30590 1 1805 . 3 . 3 53 53 PRO HG2 H 1 1.946 0.020 . 1 . . . . C 785 PRO HG2 . 30590 1 1806 . 3 . 3 53 53 PRO HG3 H 1 1.946 0.020 . 1 . . . . C 785 PRO HG3 . 30590 1 1807 . 3 . 3 53 53 PRO HD2 H 1 3.481 0.020 . 2 . . . . C 785 PRO HD2 . 30590 1 1808 . 3 . 3 53 53 PRO HD3 H 1 3.662 0.020 . 2 . . . . C 785 PRO HD3 . 30590 1 1809 . 3 . 3 53 53 PRO CA C 13 64.238 0.3 . 1 . . . . C 785 PRO CA . 30590 1 1810 . 3 . 3 53 53 PRO CB C 13 31.870 0.3 . 1 . . . . C 785 PRO CB . 30590 1 1811 . 3 . 3 53 53 PRO CG C 13 27.235 0.3 . 1 . . . . C 785 PRO CG . 30590 1 1812 . 3 . 3 53 53 PRO CD C 13 50.118 0.3 . 1 . . . . C 785 PRO CD . 30590 1 1813 . 3 . 3 54 54 ALA H H 1 8.055 0.020 . 1 . . . . C 786 ALA H . 30590 1 1814 . 3 . 3 54 54 ALA HA H 1 4.261 0.020 . 1 . . . . C 786 ALA HA . 30590 1 1815 . 3 . 3 54 54 ALA HB1 H 1 1.337 0.020 . 1 . . . . C 786 ALA HB1 . 30590 1 1816 . 3 . 3 54 54 ALA HB2 H 1 1.337 0.020 . 1 . . . . C 786 ALA HB2 . 30590 1 1817 . 3 . 3 54 54 ALA HB3 H 1 1.337 0.020 . 1 . . . . C 786 ALA HB3 . 30590 1 1818 . 3 . 3 54 54 ALA C C 13 178.695 0.3 . 1 . . . . C 786 ALA C . 30590 1 1819 . 3 . 3 54 54 ALA CA C 13 52.832 0.3 . 1 . . . . C 786 ALA CA . 30590 1 1820 . 3 . 3 54 54 ALA CB C 13 18.779 0.3 . 1 . . . . C 786 ALA CB . 30590 1 1821 . 3 . 3 54 54 ALA N N 15 121.383 0.3 . 1 . . . . C 786 ALA N . 30590 1 1822 . 3 . 3 55 55 LEU H H 1 7.817 0.020 . 1 . . . . C 787 LEU H . 30590 1 1823 . 3 . 3 55 55 LEU HA H 1 4.256 0.020 . 1 . . . . C 787 LEU HA . 30590 1 1824 . 3 . 3 55 55 LEU HB2 H 1 1.542 0.020 . 1 . . . . C 787 LEU HB2 . 30590 1 1825 . 3 . 3 55 55 LEU HB3 H 1 1.542 0.020 . 1 . . . . C 787 LEU HB3 . 30590 1 1826 . 3 . 3 55 55 LEU HG H 1 1.564 0.020 . 1 . . . . C 787 LEU HG . 30590 1 1827 . 3 . 3 55 55 LEU HD11 H 1 0.736 0.020 . 2 . . . . C 787 LEU HD11 . 30590 1 1828 . 3 . 3 55 55 LEU HD12 H 1 0.736 0.020 . 2 . . . . C 787 LEU HD12 . 30590 1 1829 . 3 . 3 55 55 LEU HD13 H 1 0.736 0.020 . 2 . . . . C 787 LEU HD13 . 30590 1 1830 . 3 . 3 55 55 LEU HD21 H 1 0.699 0.020 . 2 . . . . C 787 LEU HD21 . 30590 1 1831 . 3 . 3 55 55 LEU HD22 H 1 0.699 0.020 . 2 . . . . C 787 LEU HD22 . 30590 1 1832 . 3 . 3 55 55 LEU HD23 H 1 0.699 0.020 . 2 . . . . C 787 LEU HD23 . 30590 1 1833 . 3 . 3 55 55 LEU C C 13 177.703 0.3 . 1 . . . . C 787 LEU C . 30590 1 1834 . 3 . 3 55 55 LEU CA C 13 55.227 0.3 . 1 . . . . C 787 LEU CA . 30590 1 1835 . 3 . 3 55 55 LEU CB C 13 42.637 0.3 . 1 . . . . C 787 LEU CB . 30590 1 1836 . 3 . 3 55 55 LEU CG C 13 27.018 0.3 . 1 . . . . C 787 LEU CG . 30590 1 1837 . 3 . 3 55 55 LEU CD1 C 13 25.370 0.3 . 1 . . . . C 787 LEU CD1 . 30590 1 1838 . 3 . 3 55 55 LEU CD2 C 13 23.758 0.3 . 1 . . . . C 787 LEU CD2 . 30590 1 1839 . 3 . 3 55 55 LEU N N 15 119.446 0.3 . 1 . . . . C 787 LEU N . 30590 1 1840 . 3 . 3 56 56 ALA H H 1 7.986 0.020 . 1 . . . . C 788 ALA H . 30590 1 1841 . 3 . 3 56 56 ALA HA H 1 4.269 0.020 . 1 . . . . C 788 ALA HA . 30590 1 1842 . 3 . 3 56 56 ALA HB1 H 1 1.394 0.020 . 1 . . . . C 788 ALA HB1 . 30590 1 1843 . 3 . 3 56 56 ALA HB2 H 1 1.394 0.020 . 1 . . . . C 788 ALA HB2 . 30590 1 1844 . 3 . 3 56 56 ALA HB3 H 1 1.394 0.020 . 1 . . . . C 788 ALA HB3 . 30590 1 1845 . 3 . 3 56 56 ALA C C 13 177.559 0.3 . 1 . . . . C 788 ALA C . 30590 1 1846 . 3 . 3 56 56 ALA CA C 13 52.411 0.3 . 1 . . . . C 788 ALA CA . 30590 1 1847 . 3 . 3 56 56 ALA CB C 13 19.851 0.3 . 1 . . . . C 788 ALA CB . 30590 1 1848 . 3 . 3 56 56 ALA N N 15 123.067 0.3 . 1 . . . . C 788 ALA N . 30590 1 1849 . 3 . 3 57 57 GLU H H 1 8.183 0.020 . 1 . . . . C 789 GLU H . 30590 1 1850 . 3 . 3 57 57 GLU HA H 1 4.320 0.020 . 1 . . . . C 789 GLU HA . 30590 1 1851 . 3 . 3 57 57 GLU HB2 H 1 1.918 0.020 . 1 . . . . C 789 GLU HB2 . 30590 1 1852 . 3 . 3 57 57 GLU HB3 H 1 1.918 0.020 . 1 . . . . C 789 GLU HB3 . 30590 1 1853 . 3 . 3 57 57 GLU HG2 H 1 2.292 0.020 . 1 . . . . C 789 GLU HG2 . 30590 1 1854 . 3 . 3 57 57 GLU HG3 H 1 2.292 0.020 . 1 . . . . C 789 GLU HG3 . 30590 1 1855 . 3 . 3 57 57 GLU C C 13 176.271 0.3 . 1 . . . . C 789 GLU C . 30590 1 1856 . 3 . 3 57 57 GLU CA C 13 56.187 0.3 . 1 . . . . C 789 GLU CA . 30590 1 1857 . 3 . 3 57 57 GLU CB C 13 30.484 0.3 . 1 . . . . C 789 GLU CB . 30590 1 1858 . 3 . 3 57 57 GLU CG C 13 36.307 0.3 . 1 . . . . C 789 GLU CG . 30590 1 1859 . 3 . 3 57 57 GLU N N 15 118.715 0.3 . 1 . . . . C 789 GLU N . 30590 1 1860 . 3 . 3 58 58 ILE H H 1 7.912 0.020 . 1 . . . . C 790 ILE H . 30590 1 1861 . 3 . 3 58 58 ILE HA H 1 4.279 0.020 . 1 . . . . C 790 ILE HA . 30590 1 1862 . 3 . 3 58 58 ILE HB H 1 1.644 0.020 . 1 . . . . C 790 ILE HB . 30590 1 1863 . 3 . 3 58 58 ILE HG12 H 1 1.008 0.020 . 2 . . . . C 790 ILE HG12 . 30590 1 1864 . 3 . 3 58 58 ILE HG13 H 1 1.359 0.020 . 2 . . . . C 790 ILE HG13 . 30590 1 1865 . 3 . 3 58 58 ILE HG21 H 1 0.724 0.020 . 1 . . . . C 790 ILE HG21 . 30590 1 1866 . 3 . 3 58 58 ILE HG22 H 1 0.724 0.020 . 1 . . . . C 790 ILE HG22 . 30590 1 1867 . 3 . 3 58 58 ILE HG23 H 1 0.724 0.020 . 1 . . . . C 790 ILE HG23 . 30590 1 1868 . 3 . 3 58 58 ILE HD11 H 1 0.410 0.020 . 1 . . . . C 790 ILE HD11 . 30590 1 1869 . 3 . 3 58 58 ILE HD12 H 1 0.410 0.020 . 1 . . . . C 790 ILE HD12 . 30590 1 1870 . 3 . 3 58 58 ILE HD13 H 1 0.410 0.020 . 1 . . . . C 790 ILE HD13 . 30590 1 1871 . 3 . 3 58 58 ILE C C 13 175.057 0.3 . 1 . . . . C 790 ILE C . 30590 1 1872 . 3 . 3 58 58 ILE CA C 13 60.376 0.3 . 1 . . . . C 790 ILE CA . 30590 1 1873 . 3 . 3 58 58 ILE CB C 13 39.854 0.3 . 1 . . . . C 790 ILE CB . 30590 1 1874 . 3 . 3 58 58 ILE CG1 C 13 27.650 0.3 . 1 . . . . C 790 ILE CG1 . 30590 1 1875 . 3 . 3 58 58 ILE CG2 C 13 16.931 0.3 . 1 . . . . C 790 ILE CG2 . 30590 1 1876 . 3 . 3 58 58 ILE CD1 C 13 13.669 0.3 . 1 . . . . C 790 ILE CD1 . 30590 1 1877 . 3 . 3 58 58 ILE N N 15 122.121 0.3 . 1 . . . . C 790 ILE N . 30590 1 1878 . 3 . 3 59 59 ASP H H 1 8.694 0.020 . 1 . . . . C 791 ASP H . 30590 1 1879 . 3 . 3 59 59 ASP HA H 1 4.849 0.020 . 1 . . . . C 791 ASP HA . 30590 1 1880 . 3 . 3 59 59 ASP HB2 H 1 2.765 0.020 . 2 . . . . C 791 ASP HB2 . 30590 1 1881 . 3 . 3 59 59 ASP HB3 H 1 2.801 0.020 . 2 . . . . C 791 ASP HB3 . 30590 1 1882 . 3 . 3 59 59 ASP C C 13 175.633 0.3 . 1 . . . . C 791 ASP C . 30590 1 1883 . 3 . 3 59 59 ASP CA C 13 53.287 0.3 . 1 . . . . C 791 ASP CA . 30590 1 1884 . 3 . 3 59 59 ASP CB C 13 42.855 0.3 . 1 . . . . C 791 ASP CB . 30590 1 1885 . 3 . 3 59 59 ASP N N 15 128.072 0.3 . 1 . . . . C 791 ASP N . 30590 1 1886 . 3 . 3 60 60 LEU H H 1 8.435 0.020 . 1 . . . . C 792 LEU H . 30590 1 1887 . 3 . 3 60 60 LEU HA H 1 3.547 0.020 . 1 . . . . C 792 LEU HA . 30590 1 1888 . 3 . 3 60 60 LEU HB2 H 1 0.960 0.020 . 2 . . . . C 792 LEU HB2 . 30590 1 1889 . 3 . 3 60 60 LEU HB3 H 1 1.463 0.020 . 2 . . . . C 792 LEU HB3 . 30590 1 1890 . 3 . 3 60 60 LEU HG H 1 1.199 0.020 . 1 . . . . C 792 LEU HG . 30590 1 1891 . 3 . 3 60 60 LEU HD11 H 1 0.576 0.020 . 2 . . . . C 792 LEU HD11 . 30590 1 1892 . 3 . 3 60 60 LEU HD12 H 1 0.576 0.020 . 2 . . . . C 792 LEU HD12 . 30590 1 1893 . 3 . 3 60 60 LEU HD13 H 1 0.576 0.020 . 2 . . . . C 792 LEU HD13 . 30590 1 1894 . 3 . 3 60 60 LEU HD21 H 1 0.448 0.020 . 2 . . . . C 792 LEU HD21 . 30590 1 1895 . 3 . 3 60 60 LEU HD22 H 1 0.448 0.020 . 2 . . . . C 792 LEU HD22 . 30590 1 1896 . 3 . 3 60 60 LEU HD23 H 1 0.448 0.020 . 2 . . . . C 792 LEU HD23 . 30590 1 1897 . 3 . 3 60 60 LEU C C 13 178.429 0.3 . 1 . . . . C 792 LEU C . 30590 1 1898 . 3 . 3 60 60 LEU CA C 13 58.918 0.3 . 1 . . . . C 792 LEU CA . 30590 1 1899 . 3 . 3 60 60 LEU CB C 13 42.318 0.3 . 1 . . . . C 792 LEU CB . 30590 1 1900 . 3 . 3 60 60 LEU CG C 13 26.926 0.3 . 1 . . . . C 792 LEU CG . 30590 1 1901 . 3 . 3 60 60 LEU CD1 C 13 25.281 0.3 . 1 . . . . C 792 LEU CD1 . 30590 1 1902 . 3 . 3 60 60 LEU CD2 C 13 23.711 0.3 . 1 . . . . C 792 LEU CD2 . 30590 1 1903 . 3 . 3 60 60 LEU N N 15 125.537 0.3 . 1 . . . . C 792 LEU N . 30590 1 1904 . 3 . 3 61 61 GLN H H 1 8.111 0.020 . 1 . . . . C 793 GLN H . 30590 1 1905 . 3 . 3 61 61 GLN HA H 1 4.026 0.020 . 1 . . . . C 793 GLN HA . 30590 1 1906 . 3 . 3 61 61 GLN HB2 H 1 2.101 0.020 . 2 . . . . C 793 GLN HB2 . 30590 1 1907 . 3 . 3 61 61 GLN HB3 H 1 2.180 0.020 . 2 . . . . C 793 GLN HB3 . 30590 1 1908 . 3 . 3 61 61 GLN HG2 H 1 2.398 0.020 . 1 . . . . C 793 GLN HG2 . 30590 1 1909 . 3 . 3 61 61 GLN HG3 H 1 2.398 0.020 . 1 . . . . C 793 GLN HG3 . 30590 1 1910 . 3 . 3 61 61 GLN HE21 H 1 7.607 0.020 . 1 . . . . C 793 GLN HE21 . 30590 1 1911 . 3 . 3 61 61 GLN HE22 H 1 6.804 0.020 . 1 . . . . C 793 GLN HE22 . 30590 1 1912 . 3 . 3 61 61 GLN C C 13 179.374 0.3 . 1 . . . . C 793 GLN C . 30590 1 1913 . 3 . 3 61 61 GLN CA C 13 59.083 0.3 . 1 . . . . C 793 GLN CA . 30590 1 1914 . 3 . 3 61 61 GLN CB C 13 27.954 0.3 . 1 . . . . C 793 GLN CB . 30590 1 1915 . 3 . 3 61 61 GLN CG C 13 34.647 0.3 . 1 . . . . C 793 GLN CG . 30590 1 1916 . 3 . 3 61 61 GLN N N 15 116.863 0.3 . 1 . . . . C 793 GLN N . 30590 1 1917 . 3 . 3 61 61 GLN NE2 N 15 112.121 0.3 . 1 . . . . C 793 GLN NE2 . 30590 1 1918 . 3 . 3 62 62 GLU H H 1 8.311 0.020 . 1 . . . . C 794 GLU H . 30590 1 1919 . 3 . 3 62 62 GLU HA H 1 4.093 0.020 . 1 . . . . C 794 GLU HA . 30590 1 1920 . 3 . 3 62 62 GLU HB2 H 1 2.084 0.020 . 2 . . . . C 794 GLU HB2 . 30590 1 1921 . 3 . 3 62 62 GLU HB3 H 1 2.213 0.020 . 2 . . . . C 794 GLU HB3 . 30590 1 1922 . 3 . 3 62 62 GLU HG2 H 1 2.220 0.020 . 2 . . . . C 794 GLU HG2 . 30590 1 1923 . 3 . 3 62 62 GLU HG3 H 1 2.380 0.020 . 2 . . . . C 794 GLU HG3 . 30590 1 1924 . 3 . 3 62 62 GLU C C 13 179.821 0.3 . 1 . . . . C 794 GLU C . 30590 1 1925 . 3 . 3 62 62 GLU CA C 13 59.376 0.3 . 1 . . . . C 794 GLU CA . 30590 1 1926 . 3 . 3 62 62 GLU CB C 13 29.739 0.3 . 1 . . . . C 794 GLU CB . 30590 1 1927 . 3 . 3 62 62 GLU CG C 13 36.575 0.3 . 1 . . . . C 794 GLU CG . 30590 1 1928 . 3 . 3 62 62 GLU N N 15 122.694 0.3 . 1 . . . . C 794 GLU N . 30590 1 1929 . 3 . 3 63 63 LEU H H 1 8.324 0.020 . 1 . . . . C 795 LEU H . 30590 1 1930 . 3 . 3 63 63 LEU HA H 1 4.083 0.020 . 1 . . . . C 795 LEU HA . 30590 1 1931 . 3 . 3 63 63 LEU HB2 H 1 1.422 0.020 . 2 . . . . C 795 LEU HB2 . 30590 1 1932 . 3 . 3 63 63 LEU HB3 H 1 2.063 0.020 . 2 . . . . C 795 LEU HB3 . 30590 1 1933 . 3 . 3 63 63 LEU HG H 1 1.615 0.020 . 1 . . . . C 795 LEU HG . 30590 1 1934 . 3 . 3 63 63 LEU HD11 H 1 0.867 0.020 . 2 . . . . C 795 LEU HD11 . 30590 1 1935 . 3 . 3 63 63 LEU HD12 H 1 0.867 0.020 . 2 . . . . C 795 LEU HD12 . 30590 1 1936 . 3 . 3 63 63 LEU HD13 H 1 0.867 0.020 . 2 . . . . C 795 LEU HD13 . 30590 1 1937 . 3 . 3 63 63 LEU HD21 H 1 0.924 0.020 . 2 . . . . C 795 LEU HD21 . 30590 1 1938 . 3 . 3 63 63 LEU HD22 H 1 0.924 0.020 . 2 . . . . C 795 LEU HD22 . 30590 1 1939 . 3 . 3 63 63 LEU HD23 H 1 0.924 0.020 . 2 . . . . C 795 LEU HD23 . 30590 1 1940 . 3 . 3 63 63 LEU C C 13 177.934 0.3 . 1 . . . . C 795 LEU C . 30590 1 1941 . 3 . 3 63 63 LEU CA C 13 58.061 0.3 . 1 . . . . C 795 LEU CA . 30590 1 1942 . 3 . 3 63 63 LEU CB C 13 41.363 0.3 . 1 . . . . C 795 LEU CB . 30590 1 1943 . 3 . 3 63 63 LEU CG C 13 27.056 0.3 . 1 . . . . C 795 LEU CG . 30590 1 1944 . 3 . 3 63 63 LEU CD1 C 13 22.635 0.3 . 1 . . . . C 795 LEU CD1 . 30590 1 1945 . 3 . 3 63 63 LEU CD2 C 13 26.491 0.3 . 1 . . . . C 795 LEU CD2 . 30590 1 1946 . 3 . 3 63 63 LEU N N 15 120.889 0.3 . 1 . . . . C 795 LEU N . 30590 1 1947 . 3 . 3 64 64 GLN H H 1 8.704 0.020 . 1 . . . . C 796 GLN H . 30590 1 1948 . 3 . 3 64 64 GLN HA H 1 3.807 0.020 . 1 . . . . C 796 GLN HA . 30590 1 1949 . 3 . 3 64 64 GLN HB2 H 1 2.109 0.020 . 2 . . . . C 796 GLN HB2 . 30590 1 1950 . 3 . 3 64 64 GLN HB3 H 1 2.208 0.020 . 2 . . . . C 796 GLN HB3 . 30590 1 1951 . 3 . 3 64 64 GLN HG2 H 1 2.252 0.020 . 2 . . . . C 796 GLN HG2 . 30590 1 1952 . 3 . 3 64 64 GLN HG3 H 1 2.318 0.020 . 2 . . . . C 796 GLN HG3 . 30590 1 1953 . 3 . 3 64 64 GLN HE21 H 1 7.532 0.020 . 1 . . . . C 796 GLN HE21 . 30590 1 1954 . 3 . 3 64 64 GLN HE22 H 1 6.772 0.020 . 1 . . . . C 796 GLN HE22 . 30590 1 1955 . 3 . 3 64 64 GLN C C 13 178.331 0.3 . 1 . . . . C 796 GLN C . 30590 1 1956 . 3 . 3 64 64 GLN CA C 13 60.082 0.3 . 1 . . . . C 796 GLN CA . 30590 1 1957 . 3 . 3 64 64 GLN CB C 13 28.619 0.3 . 1 . . . . C 796 GLN CB . 30590 1 1958 . 3 . 3 64 64 GLN CG C 13 34.093 0.3 . 1 . . . . C 796 GLN CG . 30590 1 1959 . 3 . 3 64 64 GLN N N 15 119.053 0.3 . 1 . . . . C 796 GLN N . 30590 1 1960 . 3 . 3 64 64 GLN NE2 N 15 111.900 0.3 . 1 . . . . C 796 GLN NE2 . 30590 1 1961 . 3 . 3 65 65 GLY H H 1 8.139 0.020 . 1 . . . . C 797 GLY H . 30590 1 1962 . 3 . 3 65 65 GLY HA2 H 1 3.818 0.020 . 2 . . . . C 797 GLY HA2 . 30590 1 1963 . 3 . 3 65 65 GLY HA3 H 1 3.992 0.020 . 2 . . . . C 797 GLY HA3 . 30590 1 1964 . 3 . 3 65 65 GLY C C 13 176.262 0.3 . 1 . . . . C 797 GLY C . 30590 1 1965 . 3 . 3 65 65 GLY CA C 13 47.156 0.3 . 1 . . . . C 797 GLY CA . 30590 1 1966 . 3 . 3 65 65 GLY N N 15 105.603 0.3 . 1 . . . . C 797 GLY N . 30590 1 1967 . 3 . 3 66 66 TYR H H 1 8.077 0.020 . 1 . . . . C 798 TYR H . 30590 1 1968 . 3 . 3 66 66 TYR HA H 1 4.206 0.020 . 1 . . . . C 798 TYR HA . 30590 1 1969 . 3 . 3 66 66 TYR HB2 H 1 3.088 0.020 . 2 . . . . C 798 TYR HB2 . 30590 1 1970 . 3 . 3 66 66 TYR HB3 H 1 3.188 0.020 . 2 . . . . C 798 TYR HB3 . 30590 1 1971 . 3 . 3 66 66 TYR HD1 H 1 6.896 0.020 . 1 . . . . C 798 TYR HD1 . 30590 1 1972 . 3 . 3 66 66 TYR HD2 H 1 6.896 0.020 . 1 . . . . C 798 TYR HD2 . 30590 1 1973 . 3 . 3 66 66 TYR HE1 H 1 6.609 0.020 . 1 . . . . C 798 TYR HE1 . 30590 1 1974 . 3 . 3 66 66 TYR HE2 H 1 6.609 0.020 . 1 . . . . C 798 TYR HE2 . 30590 1 1975 . 3 . 3 66 66 TYR C C 13 178.376 0.3 . 1 . . . . C 798 TYR C . 30590 1 1976 . 3 . 3 66 66 TYR CA C 13 61.771 0.3 . 1 . . . . C 798 TYR CA . 30590 1 1977 . 3 . 3 66 66 TYR CB C 13 39.184 0.3 . 1 . . . . C 798 TYR CB . 30590 1 1978 . 3 . 3 66 66 TYR CD1 C 13 132.580 0.3 . 1 . . . . C 798 TYR CD1 . 30590 1 1979 . 3 . 3 66 66 TYR CE1 C 13 118.304 0.3 . 1 . . . . C 798 TYR CE1 . 30590 1 1980 . 3 . 3 66 66 TYR CE2 C 13 118.304 0.3 . 1 . . . . C 798 TYR CE2 . 30590 1 1981 . 3 . 3 66 66 TYR N N 15 124.827 0.3 . 1 . . . . C 798 TYR N . 30590 1 1982 . 3 . 3 67 67 LEU H H 1 8.616 0.020 . 1 . . . . C 799 LEU H . 30590 1 1983 . 3 . 3 67 67 LEU HA H 1 3.609 0.020 . 1 . . . . C 799 LEU HA . 30590 1 1984 . 3 . 3 67 67 LEU HB2 H 1 0.985 0.020 . 2 . . . . C 799 LEU HB2 . 30590 1 1985 . 3 . 3 67 67 LEU HB3 H 1 1.774 0.020 . 2 . . . . C 799 LEU HB3 . 30590 1 1986 . 3 . 3 67 67 LEU HG H 1 0.957 0.020 . 1 . . . . C 799 LEU HG . 30590 1 1987 . 3 . 3 67 67 LEU HD11 H 1 0.670 0.020 . 2 . . . . C 799 LEU HD11 . 30590 1 1988 . 3 . 3 67 67 LEU HD12 H 1 0.670 0.020 . 2 . . . . C 799 LEU HD12 . 30590 1 1989 . 3 . 3 67 67 LEU HD13 H 1 0.670 0.020 . 2 . . . . C 799 LEU HD13 . 30590 1 1990 . 3 . 3 67 67 LEU HD21 H 1 0.276 0.020 . 2 . . . . C 799 LEU HD21 . 30590 1 1991 . 3 . 3 67 67 LEU HD22 H 1 0.276 0.020 . 2 . . . . C 799 LEU HD22 . 30590 1 1992 . 3 . 3 67 67 LEU HD23 H 1 0.276 0.020 . 2 . . . . C 799 LEU HD23 . 30590 1 1993 . 3 . 3 67 67 LEU C C 13 179.213 0.3 . 1 . . . . C 799 LEU C . 30590 1 1994 . 3 . 3 67 67 LEU CA C 13 57.702 0.3 . 1 . . . . C 799 LEU CA . 30590 1 1995 . 3 . 3 67 67 LEU CB C 13 39.486 0.3 . 1 . . . . C 799 LEU CB . 30590 1 1996 . 3 . 3 67 67 LEU CG C 13 26.205 0.3 . 1 . . . . C 799 LEU CG . 30590 1 1997 . 3 . 3 67 67 LEU CD1 C 13 21.748 0.3 . 1 . . . . C 799 LEU CD1 . 30590 1 1998 . 3 . 3 67 67 LEU CD2 C 13 25.543 0.3 . 1 . . . . C 799 LEU CD2 . 30590 1 1999 . 3 . 3 67 67 LEU N N 15 117.998 0.3 . 1 . . . . C 799 LEU N . 30590 1 2000 . 3 . 3 68 68 GLN H H 1 8.356 0.020 . 1 . . . . C 800 GLN H . 30590 1 2001 . 3 . 3 68 68 GLN HA H 1 3.850 0.020 . 1 . . . . C 800 GLN HA . 30590 1 2002 . 3 . 3 68 68 GLN HB2 H 1 2.107 0.020 . 1 . . . . C 800 GLN HB2 . 30590 1 2003 . 3 . 3 68 68 GLN HB3 H 1 2.107 0.020 . 1 . . . . C 800 GLN HB3 . 30590 1 2004 . 3 . 3 68 68 GLN HG2 H 1 2.382 0.020 . 1 . . . . C 800 GLN HG2 . 30590 1 2005 . 3 . 3 68 68 GLN HG3 H 1 2.382 0.020 . 1 . . . . C 800 GLN HG3 . 30590 1 2006 . 3 . 3 68 68 GLN HE21 H 1 7.470 0.020 . 1 . . . . C 800 GLN HE21 . 30590 1 2007 . 3 . 3 68 68 GLN HE22 H 1 6.904 0.020 . 1 . . . . C 800 GLN HE22 . 30590 1 2008 . 3 . 3 68 68 GLN C C 13 178.952 0.3 . 1 . . . . C 800 GLN C . 30590 1 2009 . 3 . 3 68 68 GLN CA C 13 58.925 0.3 . 1 . . . . C 800 GLN CA . 30590 1 2010 . 3 . 3 68 68 GLN CB C 13 27.913 0.3 . 1 . . . . C 800 GLN CB . 30590 1 2011 . 3 . 3 68 68 GLN CG C 13 34.297 0.3 . 1 . . . . C 800 GLN CG . 30590 1 2012 . 3 . 3 68 68 GLN N N 15 117.250 0.3 . 1 . . . . C 800 GLN N . 30590 1 2013 . 3 . 3 68 68 GLN NE2 N 15 112.289 0.3 . 1 . . . . C 800 GLN NE2 . 30590 1 2014 . 3 . 3 69 69 LYS H H 1 7.552 0.020 . 1 . . . . C 801 LYS H . 30590 1 2015 . 3 . 3 69 69 LYS HA H 1 3.870 0.020 . 1 . . . . C 801 LYS HA . 30590 1 2016 . 3 . 3 69 69 LYS HB2 H 1 1.776 0.020 . 2 . . . . C 801 LYS HB2 . 30590 1 2017 . 3 . 3 69 69 LYS HB3 H 1 1.850 0.020 . 2 . . . . C 801 LYS HB3 . 30590 1 2018 . 3 . 3 69 69 LYS HG2 H 1 1.223 0.020 . 2 . . . . C 801 LYS HG2 . 30590 1 2019 . 3 . 3 69 69 LYS HG3 H 1 1.449 0.020 . 2 . . . . C 801 LYS HG3 . 30590 1 2020 . 3 . 3 69 69 LYS HD2 H 1 1.595 0.020 . 1 . . . . C 801 LYS HD2 . 30590 1 2021 . 3 . 3 69 69 LYS HD3 H 1 1.595 0.020 . 1 . . . . C 801 LYS HD3 . 30590 1 2022 . 3 . 3 69 69 LYS HE2 H 1 2.886 0.020 . 1 . . . . C 801 LYS HE2 . 30590 1 2023 . 3 . 3 69 69 LYS HE3 H 1 2.886 0.020 . 1 . . . . C 801 LYS HE3 . 30590 1 2024 . 3 . 3 69 69 LYS C C 13 178.119 0.3 . 1 . . . . C 801 LYS C . 30590 1 2025 . 3 . 3 69 69 LYS CA C 13 59.917 0.3 . 1 . . . . C 801 LYS CA . 30590 1 2026 . 3 . 3 69 69 LYS CB C 13 31.400 0.3 . 1 . . . . C 801 LYS CB . 30590 1 2027 . 3 . 3 69 69 LYS CG C 13 25.336 0.3 . 1 . . . . C 801 LYS CG . 30590 1 2028 . 3 . 3 69 69 LYS CD C 13 29.355 0.3 . 1 . . . . C 801 LYS CD . 30590 1 2029 . 3 . 3 69 69 LYS CE C 13 42.378 0.3 . 1 . . . . C 801 LYS CE . 30590 1 2030 . 3 . 3 69 69 LYS N N 15 122.202 0.3 . 1 . . . . C 801 LYS N . 30590 1 2031 . 3 . 3 70 70 LYS H H 1 7.278 0.020 . 1 . . . . C 802 LYS H . 30590 1 2032 . 3 . 3 70 70 LYS HA H 1 3.722 0.020 . 1 . . . . C 802 LYS HA . 30590 1 2033 . 3 . 3 70 70 LYS HB2 H 1 0.946 0.020 . 2 . . . . C 802 LYS HB2 . 30590 1 2034 . 3 . 3 70 70 LYS HB3 H 1 1.890 0.020 . 2 . . . . C 802 LYS HB3 . 30590 1 2035 . 3 . 3 70 70 LYS HG2 H 1 -0.122 0.020 . 2 . . . . C 802 LYS HG2 . 30590 1 2036 . 3 . 3 70 70 LYS HG3 H 1 0.578 0.020 . 2 . . . . C 802 LYS HG3 . 30590 1 2037 . 3 . 3 70 70 LYS HD2 H 1 0.290 0.020 . 2 . . . . C 802 LYS HD2 . 30590 1 2038 . 3 . 3 70 70 LYS HD3 H 1 0.862 0.020 . 2 . . . . C 802 LYS HD3 . 30590 1 2039 . 3 . 3 70 70 LYS HE2 H 1 1.332 0.020 . 2 . . . . C 802 LYS HE2 . 30590 1 2040 . 3 . 3 70 70 LYS HE3 H 1 1.646 0.020 . 2 . . . . C 802 LYS HE3 . 30590 1 2041 . 3 . 3 70 70 LYS C C 13 179.196 0.3 . 1 . . . . C 802 LYS C . 30590 1 2042 . 3 . 3 70 70 LYS CA C 13 57.349 0.3 . 1 . . . . C 802 LYS CA . 30590 1 2043 . 3 . 3 70 70 LYS CB C 13 31.412 0.3 . 1 . . . . C 802 LYS CB . 30590 1 2044 . 3 . 3 70 70 LYS CG C 13 22.578 0.3 . 1 . . . . C 802 LYS CG . 30590 1 2045 . 3 . 3 70 70 LYS CD C 13 27.266 0.3 . 1 . . . . C 802 LYS CD . 30590 1 2046 . 3 . 3 70 70 LYS CE C 13 41.859 0.3 . 1 . . . . C 802 LYS CE . 30590 1 2047 . 3 . 3 70 70 LYS N N 15 117.382 0.3 . 1 . . . . C 802 LYS N . 30590 1 2048 . 3 . 3 71 71 VAL H H 1 8.088 0.020 . 1 . . . . C 803 VAL H . 30590 1 2049 . 3 . 3 71 71 VAL HA H 1 4.319 0.020 . 1 . . . . C 803 VAL HA . 30590 1 2050 . 3 . 3 71 71 VAL HB H 1 2.334 0.020 . 1 . . . . C 803 VAL HB . 30590 1 2051 . 3 . 3 71 71 VAL HG11 H 1 1.067 0.020 . 2 . . . . C 803 VAL HG11 . 30590 1 2052 . 3 . 3 71 71 VAL HG12 H 1 1.067 0.020 . 2 . . . . C 803 VAL HG12 . 30590 1 2053 . 3 . 3 71 71 VAL HG13 H 1 1.067 0.020 . 2 . . . . C 803 VAL HG13 . 30590 1 2054 . 3 . 3 71 71 VAL HG21 H 1 1.113 0.020 . 2 . . . . C 803 VAL HG21 . 30590 1 2055 . 3 . 3 71 71 VAL HG22 H 1 1.113 0.020 . 2 . . . . C 803 VAL HG22 . 30590 1 2056 . 3 . 3 71 71 VAL HG23 H 1 1.113 0.020 . 2 . . . . C 803 VAL HG23 . 30590 1 2057 . 3 . 3 71 71 VAL C C 13 180.911 0.3 . 1 . . . . C 803 VAL C . 30590 1 2058 . 3 . 3 71 71 VAL CA C 13 64.840 0.3 . 1 . . . . C 803 VAL CA . 30590 1 2059 . 3 . 3 71 71 VAL CB C 13 31.769 0.3 . 1 . . . . C 803 VAL CB . 30590 1 2060 . 3 . 3 71 71 VAL CG1 C 13 23.400 0.3 . 1 . . . . C 803 VAL CG1 . 30590 1 2061 . 3 . 3 71 71 VAL CG2 C 13 21.633 0.3 . 1 . . . . C 803 VAL CG2 . 30590 1 2062 . 3 . 3 71 71 VAL N N 15 121.382 0.3 . 1 . . . . C 803 VAL N . 30590 1 2063 . 3 . 3 72 72 ARG H H 1 8.120 0.020 . 1 . . . . C 804 ARG H . 30590 1 2064 . 3 . 3 72 72 ARG HA H 1 4.070 0.020 . 1 . . . . C 804 ARG HA . 30590 1 2065 . 3 . 3 72 72 ARG HB2 H 1 2.027 0.020 . 1 . . . . C 804 ARG HB2 . 30590 1 2066 . 3 . 3 72 72 ARG HB3 H 1 2.027 0.020 . 1 . . . . C 804 ARG HB3 . 30590 1 2067 . 3 . 3 72 72 ARG HG2 H 1 1.640 0.020 . 2 . . . . C 804 ARG HG2 . 30590 1 2068 . 3 . 3 72 72 ARG HG3 H 1 1.904 0.020 . 2 . . . . C 804 ARG HG3 . 30590 1 2069 . 3 . 3 72 72 ARG HD2 H 1 3.239 0.020 . 1 . . . . C 804 ARG HD2 . 30590 1 2070 . 3 . 3 72 72 ARG HD3 H 1 3.239 0.020 . 1 . . . . C 804 ARG HD3 . 30590 1 2071 . 3 . 3 72 72 ARG HE H 1 9.458 0.020 . 1 . . . . C 804 ARG HE . 30590 1 2072 . 3 . 3 72 72 ARG CA C 13 59.819 0.3 . 1 . . . . C 804 ARG CA . 30590 1 2073 . 3 . 3 72 72 ARG CB C 13 29.709 0.3 . 1 . . . . C 804 ARG CB . 30590 1 2074 . 3 . 3 72 72 ARG CG C 13 27.322 0.3 . 1 . . . . C 804 ARG CG . 30590 1 2075 . 3 . 3 72 72 ARG CD C 13 43.742 0.3 . 1 . . . . C 804 ARG CD . 30590 1 2076 . 3 . 3 72 72 ARG N N 15 124.023 0.3 . 1 . . . . C 804 ARG N . 30590 1 2077 . 3 . 3 73 73 ASP H H 1 7.963 0.020 . 1 . . . . C 805 ASP H . 30590 1 2078 . 3 . 3 73 73 ASP HA H 1 4.718 0.020 . 1 . . . . C 805 ASP HA . 30590 1 2079 . 3 . 3 73 73 ASP HB2 H 1 2.485 0.020 . 2 . . . . C 805 ASP HB2 . 30590 1 2080 . 3 . 3 73 73 ASP HB3 H 1 2.880 0.020 . 2 . . . . C 805 ASP HB3 . 30590 1 2081 . 3 . 3 73 73 ASP C C 13 175.068 0.3 . 1 . . . . C 805 ASP C . 30590 1 2082 . 3 . 3 73 73 ASP CA C 13 54.659 0.3 . 1 . . . . C 805 ASP CA . 30590 1 2083 . 3 . 3 73 73 ASP CB C 13 40.654 0.3 . 1 . . . . C 805 ASP CB . 30590 1 2084 . 3 . 3 73 73 ASP N N 15 117.628 0.3 . 1 . . . . C 805 ASP N . 30590 1 2085 . 3 . 3 74 74 GLN H H 1 8.203 0.020 . 1 . . . . C 806 GLN H . 30590 1 2086 . 3 . 3 74 74 GLN HA H 1 4.158 0.020 . 1 . . . . C 806 GLN HA . 30590 1 2087 . 3 . 3 74 74 GLN HB2 H 1 2.398 0.020 . 2 . . . . C 806 GLN HB2 . 30590 1 2088 . 3 . 3 74 74 GLN HB3 H 1 2.440 0.020 . 2 . . . . C 806 GLN HB3 . 30590 1 2089 . 3 . 3 74 74 GLN HG2 H 1 2.358 0.020 . 1 . . . . C 806 GLN HG2 . 30590 1 2090 . 3 . 3 74 74 GLN HG3 H 1 2.358 0.020 . 1 . . . . C 806 GLN HG3 . 30590 1 2091 . 3 . 3 74 74 GLN HE21 H 1 7.531 0.020 . 1 . . . . C 806 GLN HE21 . 30590 1 2092 . 3 . 3 74 74 GLN HE22 H 1 6.835 0.020 . 1 . . . . C 806 GLN HE22 . 30590 1 2093 . 3 . 3 74 74 GLN C C 13 175.120 0.3 . 1 . . . . C 806 GLN C . 30590 1 2094 . 3 . 3 74 74 GLN CA C 13 57.421 0.3 . 1 . . . . C 806 GLN CA . 30590 1 2095 . 3 . 3 74 74 GLN CB C 13 25.936 0.3 . 1 . . . . C 806 GLN CB . 30590 1 2096 . 3 . 3 74 74 GLN CG C 13 34.612 0.3 . 1 . . . . C 806 GLN CG . 30590 1 2097 . 3 . 3 74 74 GLN N N 15 113.191 0.3 . 1 . . . . C 806 GLN N . 30590 1 2098 . 3 . 3 74 74 GLN NE2 N 15 112.214 0.3 . 1 . . . . C 806 GLN NE2 . 30590 1 2099 . 3 . 3 75 75 GLN H H 1 8.375 0.020 . 1 . . . . C 807 GLN H . 30590 1 2100 . 3 . 3 75 75 GLN HA H 1 4.474 0.020 . 1 . . . . C 807 GLN HA . 30590 1 2101 . 3 . 3 75 75 GLN HB2 H 1 2.551 0.020 . 1 . . . . C 807 GLN HB2 . 30590 1 2102 . 3 . 3 75 75 GLN HB3 H 1 2.551 0.020 . 1 . . . . C 807 GLN HB3 . 30590 1 2103 . 3 . 3 75 75 GLN HG2 H 1 2.341 0.020 . 1 . . . . C 807 GLN HG2 . 30590 1 2104 . 3 . 3 75 75 GLN HG3 H 1 2.341 0.020 . 1 . . . . C 807 GLN HG3 . 30590 1 2105 . 3 . 3 75 75 GLN HE21 H 1 7.531 0.020 . 1 . . . . C 807 GLN HE21 . 30590 1 2106 . 3 . 3 75 75 GLN HE22 H 1 6.838 0.020 . 1 . . . . C 807 GLN HE22 . 30590 1 2107 . 3 . 3 75 75 GLN C C 13 174.234 0.3 . 1 . . . . C 807 GLN C . 30590 1 2108 . 3 . 3 75 75 GLN CA C 13 55.608 0.3 . 1 . . . . C 807 GLN CA . 30590 1 2109 . 3 . 3 75 75 GLN CB C 13 30.780 0.3 . 1 . . . . C 807 GLN CB . 30590 1 2110 . 3 . 3 75 75 GLN CG C 13 34.265 0.3 . 1 . . . . C 807 GLN CG . 30590 1 2111 . 3 . 3 75 75 GLN N N 15 114.879 0.3 . 1 . . . . C 807 GLN N . 30590 1 2112 . 3 . 3 75 75 GLN NE2 N 15 112.198 0.3 . 1 . . . . C 807 GLN NE2 . 30590 1 2113 . 3 . 3 76 76 LEU H H 1 7.423 0.020 . 1 . . . . C 808 LEU H . 30590 1 2114 . 3 . 3 76 76 LEU HA H 1 4.725 0.020 . 1 . . . . C 808 LEU HA . 30590 1 2115 . 3 . 3 76 76 LEU HB2 H 1 1.469 0.020 . 1 . . . . C 808 LEU HB2 . 30590 1 2116 . 3 . 3 76 76 LEU HB3 H 1 1.469 0.020 . 1 . . . . C 808 LEU HB3 . 30590 1 2117 . 3 . 3 76 76 LEU HG H 1 1.906 0.020 . 1 . . . . C 808 LEU HG . 30590 1 2118 . 3 . 3 76 76 LEU HD11 H 1 1.127 0.020 . 2 . . . . C 808 LEU HD11 . 30590 1 2119 . 3 . 3 76 76 LEU HD12 H 1 1.127 0.020 . 2 . . . . C 808 LEU HD12 . 30590 1 2120 . 3 . 3 76 76 LEU HD13 H 1 1.127 0.020 . 2 . . . . C 808 LEU HD13 . 30590 1 2121 . 3 . 3 76 76 LEU HD21 H 1 1.048 0.020 . 2 . . . . C 808 LEU HD21 . 30590 1 2122 . 3 . 3 76 76 LEU HD22 H 1 1.048 0.020 . 2 . . . . C 808 LEU HD22 . 30590 1 2123 . 3 . 3 76 76 LEU HD23 H 1 1.048 0.020 . 2 . . . . C 808 LEU HD23 . 30590 1 2124 . 3 . 3 76 76 LEU C C 13 173.559 0.3 . 1 . . . . C 808 LEU C . 30590 1 2125 . 3 . 3 76 76 LEU CA C 13 53.580 0.3 . 1 . . . . C 808 LEU CA . 30590 1 2126 . 3 . 3 76 76 LEU CB C 13 47.994 0.3 . 1 . . . . C 808 LEU CB . 30590 1 2127 . 3 . 3 76 76 LEU CG C 13 27.406 0.3 . 1 . . . . C 808 LEU CG . 30590 1 2128 . 3 . 3 76 76 LEU CD1 C 13 24.884 0.3 . 1 . . . . C 808 LEU CD1 . 30590 1 2129 . 3 . 3 76 76 LEU CD2 C 13 27.758 0.3 . 1 . . . . C 808 LEU CD2 . 30590 1 2130 . 3 . 3 76 76 LEU N N 15 117.861 0.3 . 1 . . . . C 808 LEU N . 30590 1 2131 . 3 . 3 77 77 VAL H H 1 9.168 0.020 . 1 . . . . C 809 VAL H . 30590 1 2132 . 3 . 3 77 77 VAL HA H 1 4.398 0.020 . 1 . . . . C 809 VAL HA . 30590 1 2133 . 3 . 3 77 77 VAL HB H 1 1.903 0.020 . 1 . . . . C 809 VAL HB . 30590 1 2134 . 3 . 3 77 77 VAL HG11 H 1 1.126 0.020 . 2 . . . . C 809 VAL HG11 . 30590 1 2135 . 3 . 3 77 77 VAL HG12 H 1 1.126 0.020 . 2 . . . . C 809 VAL HG12 . 30590 1 2136 . 3 . 3 77 77 VAL HG13 H 1 1.126 0.020 . 2 . . . . C 809 VAL HG13 . 30590 1 2137 . 3 . 3 77 77 VAL HG21 H 1 0.847 0.020 . 2 . . . . C 809 VAL HG21 . 30590 1 2138 . 3 . 3 77 77 VAL HG22 H 1 0.847 0.020 . 2 . . . . C 809 VAL HG22 . 30590 1 2139 . 3 . 3 77 77 VAL HG23 H 1 0.847 0.020 . 2 . . . . C 809 VAL HG23 . 30590 1 2140 . 3 . 3 77 77 VAL C C 13 173.855 0.3 . 1 . . . . C 809 VAL C . 30590 1 2141 . 3 . 3 77 77 VAL CA C 13 61.750 0.3 . 1 . . . . C 809 VAL CA . 30590 1 2142 . 3 . 3 77 77 VAL CB C 13 34.285 0.3 . 1 . . . . C 809 VAL CB . 30590 1 2143 . 3 . 3 77 77 VAL CG1 C 13 24.708 0.3 . 1 . . . . C 809 VAL CG1 . 30590 1 2144 . 3 . 3 77 77 VAL CG2 C 13 21.164 0.3 . 1 . . . . C 809 VAL CG2 . 30590 1 2145 . 3 . 3 77 77 VAL N N 15 124.145 0.3 . 1 . . . . C 809 VAL N . 30590 1 2146 . 3 . 3 78 78 TYR H H 1 8.527 0.020 . 1 . . . . C 810 TYR H . 30590 1 2147 . 3 . 3 78 78 TYR HA H 1 5.203 0.020 . 1 . . . . C 810 TYR HA . 30590 1 2148 . 3 . 3 78 78 TYR HB2 H 1 2.607 0.020 . 2 . . . . C 810 TYR HB2 . 30590 1 2149 . 3 . 3 78 78 TYR HB3 H 1 2.740 0.020 . 2 . . . . C 810 TYR HB3 . 30590 1 2150 . 3 . 3 78 78 TYR HD1 H 1 6.066 0.020 . 1 . . . . C 810 TYR HD1 . 30590 1 2151 . 3 . 3 78 78 TYR HD2 H 1 6.066 0.020 . 1 . . . . C 810 TYR HD2 . 30590 1 2152 . 3 . 3 78 78 TYR HE1 H 1 6.368 0.020 . 1 . . . . C 810 TYR HE1 . 30590 1 2153 . 3 . 3 78 78 TYR HE2 H 1 6.368 0.020 . 1 . . . . C 810 TYR HE2 . 30590 1 2154 . 3 . 3 78 78 TYR C C 13 174.515 0.3 . 1 . . . . C 810 TYR C . 30590 1 2155 . 3 . 3 78 78 TYR CA C 13 55.922 0.3 . 1 . . . . C 810 TYR CA . 30590 1 2156 . 3 . 3 78 78 TYR CB C 13 41.482 0.3 . 1 . . . . C 810 TYR CB . 30590 1 2157 . 3 . 3 78 78 TYR CD1 C 13 133.293 0.3 . 1 . . . . C 810 TYR CD1 . 30590 1 2158 . 3 . 3 78 78 TYR CE1 C 13 117.618 0.3 . 1 . . . . C 810 TYR CE1 . 30590 1 2159 . 3 . 3 78 78 TYR N N 15 126.619 0.3 . 1 . . . . C 810 TYR N . 30590 1 2160 . 3 . 3 79 79 SER H H 1 8.155 0.020 . 1 . . . . C 811 SER H . 30590 1 2161 . 3 . 3 79 79 SER HA H 1 4.194 0.020 . 1 . . . . C 811 SER HA . 30590 1 2162 . 3 . 3 79 79 SER HB2 H 1 3.505 0.020 . 2 . . . . C 811 SER HB2 . 30590 1 2163 . 3 . 3 79 79 SER HB3 H 1 3.590 0.020 . 2 . . . . C 811 SER HB3 . 30590 1 2164 . 3 . 3 79 79 SER C C 13 173.761 0.3 . 1 . . . . C 811 SER C . 30590 1 2165 . 3 . 3 79 79 SER CA C 13 57.168 0.3 . 1 . . . . C 811 SER CA . 30590 1 2166 . 3 . 3 79 79 SER CB C 13 64.037 0.3 . 1 . . . . C 811 SER CB . 30590 1 2167 . 3 . 3 79 79 SER N N 15 120.637 0.3 . 1 . . . . C 811 SER N . 30590 1 2168 . 3 . 3 80 80 ALA H H 1 7.129 0.020 . 1 . . . . C 812 ALA H . 30590 1 2169 . 3 . 3 80 80 ALA HA H 1 3.877 0.020 . 1 . . . . C 812 ALA HA . 30590 1 2170 . 3 . 3 80 80 ALA HB1 H 1 1.288 0.020 . 1 . . . . C 812 ALA HB1 . 30590 1 2171 . 3 . 3 80 80 ALA HB2 H 1 1.288 0.020 . 1 . . . . C 812 ALA HB2 . 30590 1 2172 . 3 . 3 80 80 ALA HB3 H 1 1.288 0.020 . 1 . . . . C 812 ALA HB3 . 30590 1 2173 . 3 . 3 80 80 ALA CA C 13 52.967 0.3 . 1 . . . . C 812 ALA CA . 30590 1 2174 . 3 . 3 80 80 ALA CB C 13 17.258 0.3 . 1 . . . . C 812 ALA CB . 30590 1 2175 . 3 . 3 81 81 GLY H H 1 7.127 0.020 . 1 . . . . C 813 GLY H . 30590 1 2176 . 3 . 3 81 81 GLY HA2 H 1 3.577 0.020 . 2 . . . . C 813 GLY HA2 . 30590 1 2177 . 3 . 3 81 81 GLY HA3 H 1 4.151 0.020 . 2 . . . . C 813 GLY HA3 . 30590 1 2178 . 3 . 3 81 81 GLY C C 13 174.207 0.3 . 1 . . . . C 813 GLY C . 30590 1 2179 . 3 . 3 81 81 GLY CA C 13 45.455 0.3 . 1 . . . . C 813 GLY CA . 30590 1 2180 . 3 . 3 81 81 GLY N N 15 100.936 0.3 . 1 . . . . C 813 GLY N . 30590 1 2181 . 3 . 3 82 82 VAL H H 1 7.394 0.020 . 1 . . . . C 814 VAL H . 30590 1 2182 . 3 . 3 82 82 VAL HA H 1 4.619 0.020 . 1 . . . . C 814 VAL HA . 30590 1 2183 . 3 . 3 82 82 VAL HB H 1 1.831 0.020 . 1 . . . . C 814 VAL HB . 30590 1 2184 . 3 . 3 82 82 VAL HG11 H 1 0.790 0.020 . 2 . . . . C 814 VAL HG11 . 30590 1 2185 . 3 . 3 82 82 VAL HG12 H 1 0.790 0.020 . 2 . . . . C 814 VAL HG12 . 30590 1 2186 . 3 . 3 82 82 VAL HG13 H 1 0.790 0.020 . 2 . . . . C 814 VAL HG13 . 30590 1 2187 . 3 . 3 82 82 VAL HG21 H 1 0.752 0.020 . 2 . . . . C 814 VAL HG21 . 30590 1 2188 . 3 . 3 82 82 VAL HG22 H 1 0.752 0.020 . 2 . . . . C 814 VAL HG22 . 30590 1 2189 . 3 . 3 82 82 VAL HG23 H 1 0.752 0.020 . 2 . . . . C 814 VAL HG23 . 30590 1 2190 . 3 . 3 82 82 VAL C C 13 172.512 0.3 . 1 . . . . C 814 VAL C . 30590 1 2191 . 3 . 3 82 82 VAL CA C 13 59.578 0.3 . 1 . . . . C 814 VAL CA . 30590 1 2192 . 3 . 3 82 82 VAL CB C 13 35.841 0.3 . 1 . . . . C 814 VAL CB . 30590 1 2193 . 3 . 3 82 82 VAL CG1 C 13 22.216 0.3 . 1 . . . . C 814 VAL CG1 . 30590 1 2194 . 3 . 3 82 82 VAL CG2 C 13 18.628 0.3 . 1 . . . . C 814 VAL CG2 . 30590 1 2195 . 3 . 3 82 82 VAL N N 15 114.659 0.3 . 1 . . . . C 814 VAL N . 30590 1 2196 . 3 . 3 83 83 TYR H H 1 8.590 0.020 . 1 . . . . C 815 TYR H . 30590 1 2197 . 3 . 3 83 83 TYR HA H 1 5.604 0.020 . 1 . . . . C 815 TYR HA . 30590 1 2198 . 3 . 3 83 83 TYR HB2 H 1 2.839 0.020 . 2 . . . . C 815 TYR HB2 . 30590 1 2199 . 3 . 3 83 83 TYR HB3 H 1 2.954 0.020 . 2 . . . . C 815 TYR HB3 . 30590 1 2200 . 3 . 3 83 83 TYR HD1 H 1 7.117 0.020 . 1 . . . . C 815 TYR HD1 . 30590 1 2201 . 3 . 3 83 83 TYR HD2 H 1 7.117 0.020 . 1 . . . . C 815 TYR HD2 . 30590 1 2202 . 3 . 3 83 83 TYR HE1 H 1 6.480 0.020 . 1 . . . . C 815 TYR HE1 . 30590 1 2203 . 3 . 3 83 83 TYR HE2 H 1 6.480 0.020 . 1 . . . . C 815 TYR HE2 . 30590 1 2204 . 3 . 3 83 83 TYR C C 13 175.293 0.3 . 1 . . . . C 815 TYR C . 30590 1 2205 . 3 . 3 83 83 TYR CA C 13 57.394 0.3 . 1 . . . . C 815 TYR CA . 30590 1 2206 . 3 . 3 83 83 TYR CB C 13 41.254 0.3 . 1 . . . . C 815 TYR CB . 30590 1 2207 . 3 . 3 83 83 TYR CD1 C 13 133.125 0.3 . 1 . . . . C 815 TYR CD1 . 30590 1 2208 . 3 . 3 83 83 TYR CE1 C 13 118.227 0.3 . 1 . . . . C 815 TYR CE1 . 30590 1 2209 . 3 . 3 83 83 TYR N N 15 120.079 0.3 . 1 . . . . C 815 TYR N . 30590 1 2210 . 3 . 3 84 84 ARG H H 1 8.869 0.020 . 1 . . . . C 816 ARG H . 30590 1 2211 . 3 . 3 84 84 ARG HA H 1 4.935 0.020 . 1 . . . . C 816 ARG HA . 30590 1 2212 . 3 . 3 84 84 ARG HB2 H 1 1.673 0.020 . 2 . . . . C 816 ARG HB2 . 30590 1 2213 . 3 . 3 84 84 ARG HB3 H 1 1.925 0.020 . 2 . . . . C 816 ARG HB3 . 30590 1 2214 . 3 . 3 84 84 ARG HG2 H 1 1.378 0.020 . 2 . . . . C 816 ARG HG2 . 30590 1 2215 . 3 . 3 84 84 ARG HG3 H 1 1.667 0.020 . 2 . . . . C 816 ARG HG3 . 30590 1 2216 . 3 . 3 84 84 ARG HD2 H 1 3.097 0.020 . 1 . . . . C 816 ARG HD2 . 30590 1 2217 . 3 . 3 84 84 ARG HD3 H 1 3.097 0.020 . 1 . . . . C 816 ARG HD3 . 30590 1 2218 . 3 . 3 84 84 ARG C C 13 174.931 0.3 . 1 . . . . C 816 ARG C . 30590 1 2219 . 3 . 3 84 84 ARG CA C 13 54.694 0.3 . 1 . . . . C 816 ARG CA . 30590 1 2220 . 3 . 3 84 84 ARG CB C 13 34.969 0.3 . 1 . . . . C 816 ARG CB . 30590 1 2221 . 3 . 3 84 84 ARG CG C 13 26.638 0.3 . 1 . . . . C 816 ARG CG . 30590 1 2222 . 3 . 3 84 84 ARG CD C 13 43.959 0.3 . 1 . . . . C 816 ARG CD . 30590 1 2223 . 3 . 3 84 84 ARG N N 15 115.045 0.3 . 1 . . . . C 816 ARG N . 30590 1 2224 . 3 . 3 85 85 LEU H H 1 9.049 0.020 . 1 . . . . C 817 LEU H . 30590 1 2225 . 3 . 3 85 85 LEU HA H 1 4.820 0.020 . 1 . . . . C 817 LEU HA . 30590 1 2226 . 3 . 3 85 85 LEU HB2 H 1 1.569 0.020 . 2 . . . . C 817 LEU HB2 . 30590 1 2227 . 3 . 3 85 85 LEU HB3 H 1 1.661 0.020 . 2 . . . . C 817 LEU HB3 . 30590 1 2228 . 3 . 3 85 85 LEU HG H 1 1.701 0.020 . 1 . . . . C 817 LEU HG . 30590 1 2229 . 3 . 3 85 85 LEU HD11 H 1 1.017 0.020 . 2 . . . . C 817 LEU HD11 . 30590 1 2230 . 3 . 3 85 85 LEU HD12 H 1 1.017 0.020 . 2 . . . . C 817 LEU HD12 . 30590 1 2231 . 3 . 3 85 85 LEU HD13 H 1 1.017 0.020 . 2 . . . . C 817 LEU HD13 . 30590 1 2232 . 3 . 3 85 85 LEU HD21 H 1 0.934 0.020 . 2 . . . . C 817 LEU HD21 . 30590 1 2233 . 3 . 3 85 85 LEU HD22 H 1 0.934 0.020 . 2 . . . . C 817 LEU HD22 . 30590 1 2234 . 3 . 3 85 85 LEU HD23 H 1 0.934 0.020 . 2 . . . . C 817 LEU HD23 . 30590 1 2235 . 3 . 3 85 85 LEU C C 13 175.540 0.3 . 1 . . . . C 817 LEU C . 30590 1 2236 . 3 . 3 85 85 LEU CA C 13 53.372 0.3 . 1 . . . . C 817 LEU CA . 30590 1 2237 . 3 . 3 85 85 LEU CB C 13 40.602 0.3 . 1 . . . . C 817 LEU CB . 30590 1 2238 . 3 . 3 85 85 LEU CG C 13 26.913 0.3 . 1 . . . . C 817 LEU CG . 30590 1 2239 . 3 . 3 85 85 LEU CD1 C 13 22.925 0.3 . 1 . . . . C 817 LEU CD1 . 30590 1 2240 . 3 . 3 85 85 LEU CD2 C 13 25.828 0.3 . 1 . . . . C 817 LEU CD2 . 30590 1 2241 . 3 . 3 85 85 LEU N N 15 121.400 0.3 . 1 . . . . C 817 LEU N . 30590 1 2242 . 3 . 3 86 86 PRO HA H 1 4.347 0.020 . 1 . . . . C 818 PRO HA . 30590 1 2243 . 3 . 3 86 86 PRO HB2 H 1 1.968 0.020 . 2 . . . . C 818 PRO HB2 . 30590 1 2244 . 3 . 3 86 86 PRO HB3 H 1 2.210 0.020 . 2 . . . . C 818 PRO HB3 . 30590 1 2245 . 3 . 3 86 86 PRO HG2 H 1 1.748 0.020 . 2 . . . . C 818 PRO HG2 . 30590 1 2246 . 3 . 3 86 86 PRO HG3 H 1 2.097 0.020 . 2 . . . . C 818 PRO HG3 . 30590 1 2247 . 3 . 3 86 86 PRO HD2 H 1 3.682 0.020 . 1 . . . . C 818 PRO HD2 . 30590 1 2248 . 3 . 3 86 86 PRO HD3 H 1 3.682 0.020 . 1 . . . . C 818 PRO HD3 . 30590 1 2249 . 3 . 3 86 86 PRO CA C 13 63.117 0.3 . 1 . . . . C 818 PRO CA . 30590 1 2250 . 3 . 3 86 86 PRO CB C 13 32.071 0.3 . 1 . . . . C 818 PRO CB . 30590 1 2251 . 3 . 3 86 86 PRO CG C 13 27.598 0.3 . 1 . . . . C 818 PRO CG . 30590 1 2252 . 3 . 3 86 86 PRO CD C 13 50.530 0.3 . 1 . . . . C 818 PRO CD . 30590 1 2253 . 3 . 3 87 87 LYS H H 1 8.249 0.020 . 1 . . . . C 819 LYS H . 30590 1 2254 . 3 . 3 87 87 LYS HA H 1 4.354 0.020 . 1 . . . . C 819 LYS HA . 30590 1 2255 . 3 . 3 87 87 LYS HB2 H 1 1.762 0.020 . 2 . . . . C 819 LYS HB2 . 30590 1 2256 . 3 . 3 87 87 LYS HB3 H 1 1.847 0.020 . 2 . . . . C 819 LYS HB3 . 30590 1 2257 . 3 . 3 87 87 LYS HG2 H 1 1.467 0.020 . 1 . . . . C 819 LYS HG2 . 30590 1 2258 . 3 . 3 87 87 LYS HG3 H 1 1.467 0.020 . 1 . . . . C 819 LYS HG3 . 30590 1 2259 . 3 . 3 87 87 LYS HD2 H 1 1.723 0.020 . 1 . . . . C 819 LYS HD2 . 30590 1 2260 . 3 . 3 87 87 LYS HD3 H 1 1.723 0.020 . 1 . . . . C 819 LYS HD3 . 30590 1 2261 . 3 . 3 87 87 LYS HE2 H 1 3.028 0.020 . 1 . . . . C 819 LYS HE2 . 30590 1 2262 . 3 . 3 87 87 LYS HE3 H 1 3.028 0.020 . 1 . . . . C 819 LYS HE3 . 30590 1 2263 . 3 . 3 87 87 LYS C C 13 176.212 0.3 . 1 . . . . C 819 LYS C . 30590 1 2264 . 3 . 3 87 87 LYS CA C 13 56.272 0.3 . 1 . . . . C 819 LYS CA . 30590 1 2265 . 3 . 3 87 87 LYS CB C 13 33.571 0.3 . 1 . . . . C 819 LYS CB . 30590 1 2266 . 3 . 3 87 87 LYS CG C 13 24.793 0.3 . 1 . . . . C 819 LYS CG . 30590 1 2267 . 3 . 3 87 87 LYS CD C 13 28.830 0.3 . 1 . . . . C 819 LYS CD . 30590 1 2268 . 3 . 3 87 87 LYS CE C 13 42.297 0.3 . 1 . . . . C 819 LYS CE . 30590 1 2269 . 3 . 3 87 87 LYS N N 15 121.069 0.3 . 1 . . . . C 819 LYS N . 30590 1 2270 . 3 . 3 88 88 ASN H H 1 8.536 0.020 . 1 . . . . C 820 ASN H . 30590 1 2271 . 3 . 3 88 88 ASN HA H 1 4.787 0.020 . 1 . . . . C 820 ASN HA . 30590 1 2272 . 3 . 3 88 88 ASN HB2 H 1 2.803 0.020 . 2 . . . . C 820 ASN HB2 . 30590 1 2273 . 3 . 3 88 88 ASN HB3 H 1 2.899 0.020 . 2 . . . . C 820 ASN HB3 . 30590 1 2274 . 3 . 3 88 88 ASN HD21 H 1 7.466 0.020 . 1 . . . . C 820 ASN HD21 . 30590 1 2275 . 3 . 3 88 88 ASN HD22 H 1 6.903 0.020 . 1 . . . . C 820 ASN HD22 . 30590 1 2276 . 3 . 3 88 88 ASN C C 13 175.025 0.3 . 1 . . . . C 820 ASN C . 30590 1 2277 . 3 . 3 88 88 ASN CA C 13 53.360 0.3 . 1 . . . . C 820 ASN CA . 30590 1 2278 . 3 . 3 88 88 ASN CB C 13 39.004 0.3 . 1 . . . . C 820 ASN CB . 30590 1 2279 . 3 . 3 88 88 ASN N N 15 120.175 0.3 . 1 . . . . C 820 ASN N . 30590 1 2280 . 3 . 3 88 88 ASN ND2 N 15 112.377 0.3 . 1 . . . . C 820 ASN ND2 . 30590 1 2281 . 3 . 3 89 89 CYS H H 1 8.329 0.020 . 1 . . . . C 821 CYS H . 30590 1 2282 . 3 . 3 89 89 CYS HA H 1 4.631 0.020 . 1 . . . . C 821 CYS HA . 30590 1 2283 . 3 . 3 89 89 CYS HB2 H 1 3.004 0.020 . 1 . . . . C 821 CYS HB2 . 30590 1 2284 . 3 . 3 89 89 CYS HB3 H 1 3.004 0.020 . 1 . . . . C 821 CYS HB3 . 30590 1 2285 . 3 . 3 89 89 CYS CA C 13 58.386 0.3 . 1 . . . . C 821 CYS CA . 30590 1 2286 . 3 . 3 89 89 CYS CB C 13 28.650 0.3 . 1 . . . . C 821 CYS CB . 30590 1 2287 . 3 . 3 89 89 CYS N N 15 119.523 0.3 . 1 . . . . C 821 CYS N . 30590 1 2288 . 3 . 3 90 90 SER H H 1 8.012 0.020 . 1 . . . . C 822 SER H . 30590 1 2289 . 3 . 3 90 90 SER HA H 1 4.299 0.020 . 1 . . . . C 822 SER HA . 30590 1 2290 . 3 . 3 90 90 SER HB2 H 1 3.881 0.020 . 1 . . . . C 822 SER HB2 . 30590 1 2291 . 3 . 3 90 90 SER HB3 H 1 3.881 0.020 . 1 . . . . C 822 SER HB3 . 30590 1 2292 . 3 . 3 90 90 SER C C 13 178.537 0.3 . 1 . . . . C 822 SER C . 30590 1 2293 . 3 . 3 90 90 SER CA C 13 60.230 0.3 . 1 . . . . C 822 SER CA . 30590 1 2294 . 3 . 3 90 90 SER CB C 13 64.977 0.3 . 1 . . . . C 822 SER CB . 30590 1 2295 . 3 . 3 90 90 SER N N 15 123.199 0.3 . 1 . . . . C 822 SER N . 30590 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30590 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-13C filtered NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # INAME 1 H1 # INAME 2 C13 # INAME 3 H1 1 4.229 59.190 0.913 0 U 4.985e+04 0.00e+00 - 0 940 520 2802 0 # HD1 I68 2 1.178 20.953 4.236 0 U 2.996e+05 0.00e+00 - 0 820 821 2712 0 # HA L73 3 1.178 20.953 0.792 0 U 4.943e+06 0.00e+00 - 0 820 821 2783 0 # HD2 L73 4 1.178 20.953 1.550 0 U 2.201e+06 0.00e+00 - 0 820 821 2933 0 # HG L70 5 1.178 20.953 7.704 0 U 2.731e+05 0.00e+00 - 0 820 821 2722 0 # H R74 6 1.178 20.953 1.467 0 U -7.644e+05 0.00e+00 - 0 820 821 2682 0 # HB2 L70 7 1.178 20.953 0.859 0 U -3.311e+06 0.00e+00 - 0 820 821 2714 0 # HD1 L73 8 0.825 16.812 0.960 0 U -1.238e+04 0.00e+00 - 0 2453 2456 1018 0 # HD1 L753 9 0.825 16.812 1.921 0 U 3.513e+03 0.00e+00 - 0 2453 2456 1220 0 # HE M779 10 3.057 31.672 0.848 0 U 1.252e+04 0.00e+00 - 0 2917 2846 1148 0 # HD1 L765 11 4.236 54.904 1.178 0 U -4.313e+04 0.00e+00 - 0 2712 2717 820 0 # HG2 T763 12 1.825 26.379 0.968 0 U 1.824e+04 0.00e+00 - 0 2409 2414 920 0 # HG2 T756 13 1.816 34.221 0.937 0 U 4.507e+03 0.00e+00 - 0 2465 2471 1143 0 # HD2 L753 14 1.573 16.364 6.902 0 U -3.141e+07 0.00e+00 - 0 1200 1199 2814 0 # HD1 W10 15 1.573 16.364 6.932 0 U 2.442e+07 0.00e+00 - 0 1200 1199 2819 0 # HH2 W10 16 1.573 16.364 6.800 0 U 7.970e+06 0.00e+00 - 0 1200 1199 2821 0 # HZ3 W10 17 0.848 22.368 7.130 0 U 7.394e+04 0.00e+00 - 0 1148 1202 2779 0 # HZ2 W10 18 0.848 22.368 3.057 0 U 2.022e+05 0.00e+00 - 0 1148 1202 2917 0 # HB2 W10 19 0.848 22.368 3.694 0 U 5.669e+05 0.00e+00 - 0 1148 1202 2115 0 # HB T12 20 0.848 22.368 6.800 0 U 9.205e+04 0.00e+00 - 0 1148 1202 2821 0 # HZ3 W10 21 0.848 22.368 8.603 0 U 4.099e+05 0.00e+00 - 0 1148 1202 2100 0 # H K11 22 0.792 23.473 1.178 0 U 3.746e+05 0.00e+00 - 0 2783 2890 820 0 # HG2 T763 23 0.792 23.473 1.611 0 U -5.357e+05 0.00e+00 - 0 2783 2890 816 0 # HB A760 24 0.792 23.473 0.968 0 U -6.286e+05 0.00e+00 - 0 2783 2890 920 0 # HG2 T756 25 1.611 19.277 0.792 0 U 1.918e+07 0.00e+00 - 0 816 279 2783 0 # HD2 L73 26 1.611 19.277 0.498 0 U 3.303e+06 0.00e+00 - 0 816 279 2430 0 # HD1 I44 27 1.611 19.277 0.121 0 U 6.154e+04 0.00e+00 - 0 816 279 2801 0 # HD2 L70 28 1.611 19.277 6.800 0 U 4.975e+05 0.00e+00 - 0 816 279 2821 0 # HZ3 W10 29 1.611 19.277 0.637 0 U -9.595e+06 0.00e+00 - 0 816 279 2927 0 # HD1 L70 30 1.611 19.277 1.369 0 U 6.350e+05 0.00e+00 - 0 816 279 2713 0 # HB3 L73 31 1.611 19.277 0.859 0 U -1.261e+07 0.00e+00 - 0 816 279 2714 0 # HD1 L73 32 1.550 26.959 1.178 0 U 7.041e+03 0.00e+00 - 0 2933 2934 820 0 # HG2 T763 33 0.968 21.617 1.825 0 U 1.897e+05 0.00e+00 - 0 920 921 2409 0 # HG3 R42 34 0.968 21.617 0.792 0 U 1.891e+06 0.00e+00 - 0 920 921 2783 0 # HD2 L73 35 0.968 21.617 3.041 0 U 2.254e+05 0.00e+00 - 0 920 921 2408 0 # HD2 R42 36 0.968 21.617 0.498 0 U 2.920e+05 0.00e+00 - 0 920 921 2430 0 # HD1 I44 37 0.968 21.617 0.121 0 U 5.840e+05 0.00e+00 - 0 920 921 2801 0 # HD2 L70 38 0.968 21.617 1.467 0 U 2.583e+05 0.00e+00 - 0 920 921 2682 0 # HB2 L70 39 0.968 21.617 0.859 0 U -1.238e+06 0.00e+00 - 0 920 921 2714 0 # HD1 L73 40 3.041 42.671 0.968 0 U 1.944e+04 0.00e+00 - 0 2408 2413 920 0 # HG2 T756 41 1.695 40.539 1.921 0 U -9.780e+03 0.00e+00 - 0 2660 2665 1220 0 # HE M779 42 3.694 70.465 0.848 0 U 2.410e+04 0.00e+00 - 0 2115 2119 1148 0 # HD1 L765 43 0.937 23.531 1.816 0 U 4.463e+05 0.00e+00 - 0 1143 1142 2465 0 # HB3 K48 44 0.937 23.531 0.712 0 U 7.868e+05 0.00e+00 - 0 1143 1142 2432 0 # HG2 I44 45 1.950 18.225 7.130 0 U 2.465e+05 0.00e+00 - 0 1212 1213 2779 0 # HZ2 W10 46 0.498 12.712 1.611 0 U -1.750e+04 0.00e+00 - 0 2430 2436 816 0 # HB A760 47 0.498 12.712 0.968 0 U 6.664e+03 0.00e+00 - 0 2430 2436 920 0 # HG2 T756 48 0.498 12.712 7.066 0 U -3.256e+03 0.00e+00 - 0 2430 2436 736 0 # HD Y757 49 0.498 12.712 6.595 0 U 8.068e+03 0.00e+00 - 0 2430 2436 777 0 # HE Y757 50 2.945 59.421 0.859 0 U -3.128e+03 0.00e+00 - 0 824 525 2714 0 # HD1 L73 51 0.627 23.772 6.800 0 U 6.211e+04 0.00e+00 - 0 1203 1204 2821 0 # HZ3 W10 52 0.121 25.511 1.611 0 U -3.095e+03 0.00e+00 - 0 2801 2929 816 0 # HB A760 53 0.121 25.511 0.968 0 U -3.941e+03 0.00e+00 - 0 2801 2929 920 0 # HG2 T756 54 0.121 25.511 7.066 0 U 7.466e+03 0.00e+00 - 0 2801 2929 736 0 # HD Y757 55 0.121 25.511 3.999 0 U 1.676e+04 0.00e+00 - 0 2801 2929 818 0 # HA T763 56 1.421 21.151 1.914 0 U -1.375e+07 0.00e+00 - 0 2640 2644 1219 0 # HG M779 57 1.421 21.151 1.921 0 U 1.351e+07 0.00e+00 - 0 2640 2644 1220 0 # HE M779 58 0.712 17.296 0.937 0 U 2.051e+04 0.00e+00 - 0 2432 2438 1143 0 # HD2 L753 59 0.712 17.296 6.595 0 U 2.660e+03 0.00e+00 - 0 2432 2438 777 0 # HE Y757 60 0.960 25.757 0.825 0 U 5.648e+05 0.00e+00 - 0 1018 1015 2453 0 # HB A46 61 0.960 25.757 3.963 0 U 3.768e+05 0.00e+00 - 0 1018 1015 2459 0 # HA2 G47 62 0.960 25.757 3.394 0 U 2.163e+05 0.00e+00 - 0 1018 1015 2797 0 # HA3 G47 63 3.963 45.575 0.960 0 U -6.048e+04 0.00e+00 - 0 2459 2461 1018 0 # HD1 L753 64 0.913 13.351 4.229 0 U 5.111e+03 0.00e+00 - 0 2802 2827 940 0 # HA M776 65 0.913 13.351 7.146 0 U 2.178e+05 0.00e+00 - 0 2802 2827 786 0 # HZ F780 66 0.913 13.351 7.215 0 U -2.220e+05 0.00e+00 - 0 2802 2827 785 0 # HE F780 67 0.913 13.351 6.595 0 U -1.815e+04 0.00e+00 - 0 2802 2827 777 0 # HE Y757 68 0.913 13.351 1.921 0 U 1.338e+04 0.00e+00 - 0 2802 2827 1220 0 # HE M779 69 1.914 31.839 1.421 0 U 5.604e+04 0.00e+00 - 0 1219 1218 2640 0 # HB A66 70 1.467 43.538 1.178 0 U 5.779e+04 0.00e+00 - 0 2682 2686 820 0 # HG2 T763 71 1.467 43.538 0.968 0 U -4.742e+04 0.00e+00 - 0 2682 2686 920 0 # HG2 T756 72 0.637 23.478 1.611 0 U 2.982e+05 0.00e+00 - 0 2927 2928 816 0 # HB A760 73 3.394 45.575 0.960 0 U -9.297e+03 0.00e+00 - 0 2797 2461 1018 0 # HD1 L753 74 1.369 42.331 1.611 0 U 6.340e+04 0.00e+00 - 0 2713 2718 816 0 # HB A760 75 0.859 24.964 1.178 0 U 3.091e+05 0.00e+00 - 0 2714 2719 820 0 # HG2 T763 76 0.859 24.964 1.611 0 U 3.838e+03 0.00e+00 - 0 2714 2719 816 0 # HB A760 77 0.859 24.964 0.968 0 U -1.003e+06 0.00e+00 - 0 2714 2719 920 0 # HG2 T756 78 0.859 24.964 2.945 0 U 1.715e+04 0.00e+00 - 0 2714 2719 824 0 # HA M761 79 0.859 24.964 3.999 0 U 7.325e+03 0.00e+00 - 0 2714 2719 818 0 # HA T763 80 0.859 24.964 0.861 0 U 8.749e+05 0.00e+00 - 0 2714 2719 1198 0 # HD1 L762 81 1.921 17.651 0.825 0 U 2.134e+07 0.00e+00 - 0 1220 1221 2453 0 # HB A46 82 1.921 17.651 1.695 0 U 1.513e+06 0.00e+00 - 0 1220 1221 2660 0 # HB I68 83 1.921 17.651 1.421 0 U 1.102e+06 0.00e+00 - 0 1220 1221 2640 0 # HB A66 84 1.921 17.651 0.913 0 U -1.832e+07 0.00e+00 - 0 1220 1221 2802 0 # HD1 I68 85 3.999 66.746 0.121 0 U -3.167e+04 0.00e+00 - 0 818 477 2801 0 # HD2 L70 86 3.999 66.746 0.859 0 U 4.325e+04 0.00e+00 - 0 818 477 2714 0 # HD1 L73 87 0.902 16.943 7.215 0 U -5.196e+03 0.00e+00 - 0 2828 2826 785 0 # HE F780 88 0.902 16.943 6.595 0 U 9.051e+02 0.00e+00 - 0 2828 2826 777 0 # HE Y757 89 0.861 22.311 0.859 0 U 3.773e+05 0.00e+00 - 0 1198 1197 2714 0 # HD1 L73 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic 3 . 10.9872 ppm . . . 4.692 . . 30590 1 2 . . C 13 C . . 72 ppm . . . 38 . . 30590 1 3 . . H 1 H-aliphatic 1 . 10.9872 ppm . . . 4.692 . . 30590 1 stop_ save_