data_36305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36305 _Entry.Title ; Solution NMR structure of de novo Rossmann2x2 fold with almost valines in the core, R2x2_VAL88 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-23 _Entry.Accession_date 2020-02-14 _Entry.Last_release_date 2020-02-14 _Entry.Original_release_date 2020-02-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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' 36305 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 N. Kobayashi N. . . . 36305 2 T. Sugiki T. . . . 36305 3 T. Fujiwara T. . . . 36305 4 R. Koga R. . . . 36305 5 M. Yamamoto M. . . . 36305 6 T. Kosugi T. . . . 36305 7 N. Koga N. . . . 36305 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 36305 'De Novo design' . 36305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 36305 '15N chemical shifts' 96 36305 '1H chemical shifts' 624 36305 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 1 . . 2026-03-26 . original BMRB . 36305 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6LLQ 'BMRB Entry Tracking System' 36305 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36305 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33229587 _Citation.DOI 10.1073/pnas.2002120117 _Citation.Full_citation . _Citation.Title ; Robust folding of a de novo designed ideal protein even with most of the core mutated to valine. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 49 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0027-8424 _Citation.Journal_CSD 0353 _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 31149 _Citation.Page_last 31156 _Citation.Year 2020 _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 Rie Koga R. . . . 36305 1 2 Mami Yamamoto M. . . . 36305 1 3 Takahiro Kosugi T. . . . 36305 1 4 Naohiro Kobayashi N. . . . 36305 1 5 Toshihiko Sugiki T. . . . 36305 1 6 Toshimichi Fujiwara T. . . . 36305 1 7 Nobuyasu Koga N. . . . 36305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36305 _Assembly.ID 1 _Assembly.Name VAL88 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'not present' _Assembly.Molecular_mass 11105.688 _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 . . . . . . 36305 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A 1 GLY . start no . 36305 1 . 1 1 10 GLU 10 . A 10 GLU . middle . . 36305 1 . 1 1 11 GLN 11 . A 11 GLN . middle . . 36305 1 . 1 1 12 VAL 12 . A 12 VAL . middle . . 36305 1 . 1 1 13 LYS 13 . A 13 LYS . middle . . 36305 1 . 1 1 14 GLU 14 . A 14 GLU . middle . . 36305 1 . 1 1 15 GLU 15 . A 15 GLU . middle . . 36305 1 . 1 1 16 VAL 16 . A 16 VAL . middle . . 36305 1 . 1 1 17 ARG 17 . A 17 ARG . middle . . 36305 1 . 1 1 18 LYS 18 . A 18 LYS . middle . . 36305 1 . 1 1 19 LYS 19 . A 19 LYS . middle . . 36305 1 . 1 1 2 ARG 2 . A 2 ARG . middle . . 36305 1 . 1 1 20 PHE 20 . A 20 PHE . middle . . 36305 1 . 1 1 21 PRO 21 . A 21 PRO . middle no . 36305 1 . 1 1 22 GLN 22 . A 22 GLN . middle . . 36305 1 . 1 1 23 VAL 23 . A 23 VAL . middle . . 36305 1 . 1 1 24 GLU 24 . A 24 GLU . middle . . 36305 1 . 1 1 25 VAL 25 . A 25 VAL . middle . . 36305 1 . 1 1 26 ARG 26 . A 26 ARG . middle . . 36305 1 . 1 1 27 VAL 27 . A 27 VAL . middle . . 36305 1 . 1 1 28 VAL 28 . A 28 VAL . middle . . 36305 1 . 1 1 29 THR 29 . A 29 THR . middle . . 36305 1 . 1 1 3 VAL 3 . A 3 VAL . middle . . 36305 1 . 1 1 30 THR 30 . A 30 THR . middle . . 36305 1 . 1 1 31 GLU 31 . A 31 GLU . middle . . 36305 1 . 1 1 32 GLU 32 . A 32 GLU . middle . . 36305 1 . 1 1 33 ASP 33 . A 33 ASP . middle . . 36305 1 . 1 1 34 ALA 34 . A 34 ALA . middle . . 36305 1 . 1 1 35 LYS 35 . A 35 LYS . middle . . 36305 1 . 1 1 36 GLN 36 . A 36 GLN . middle . . 36305 1 . 1 1 37 VAL 37 . A 37 VAL . middle . . 36305 1 . 1 1 38 VAL 38 . A 38 VAL . middle . . 36305 1 . 1 1 39 LYS 39 . A 39 LYS . middle . . 36305 1 . 1 1 4 VAL 4 . A 4 VAL . middle . . 36305 1 . 1 1 40 GLU 40 . A 40 GLU . middle . . 36305 1 . 1 1 41 VAL 41 . A 41 VAL . middle . . 36305 1 . 1 1 42 GLN 42 . A 42 GLN . middle . . 36305 1 . 1 1 43 LYS 43 . A 43 LYS . middle . . 36305 1 . 1 1 44 LYS 44 . A 44 LYS . middle . . 36305 1 . 1 1 45 GLY 45 . A 45 GLY . middle no . 36305 1 . 1 1 46 VAL 46 . A 46 VAL . middle . . 36305 1 . 1 1 47 GLN 47 . A 47 GLN . middle . . 36305 1 . 1 1 48 LYS 48 . A 48 LYS . middle . . 36305 1 . 1 1 49 VAL 49 . A 49 VAL . middle . . 36305 1 . 1 1 5 VAL 5 . A 5 VAL . middle . . 36305 1 . 1 1 50 VAL 50 . A 50 VAL . middle . . 36305 1 . 1 1 51 VAL 51 . A 51 VAL . middle . . 36305 1 . 1 1 52 VAL 52 . A 52 VAL . middle . . 36305 1 . 1 1 53 GLY 53 . A 53 GLY . middle no . 36305 1 . 1 1 54 VAL 54 . A 54 VAL . middle . . 36305 1 . 1 1 55 SER 55 . A 55 SER . middle . . 36305 1 . 1 1 56 GLU 56 . A 56 GLU . middle . . 36305 1 . 1 1 57 LYS 57 . A 57 LYS . middle . . 36305 1 . 1 1 58 VAL 58 . A 58 VAL . middle . . 36305 1 . 1 1 59 VAL 59 . A 59 VAL . middle . . 36305 1 . 1 1 6 VAL 6 . A 6 VAL . middle . . 36305 1 . 1 1 60 GLN 60 . A 60 GLN . middle . . 36305 1 . 1 1 61 LYS 61 . A 61 LYS . middle . . 36305 1 . 1 1 62 VAL 62 . A 62 VAL . middle . . 36305 1 . 1 1 63 LYS 63 . A 63 LYS . middle . . 36305 1 . 1 1 64 GLN 64 . A 64 GLN . middle . . 36305 1 . 1 1 65 GLU 65 . A 65 GLU . middle . . 36305 1 . 1 1 66 ALA 66 . A 66 ALA . middle . . 36305 1 . 1 1 67 ASN 67 . A 67 ASN . middle . . 36305 1 . 1 1 68 VAL 68 . A 68 VAL . middle . . 36305 1 . 1 1 69 GLN 69 . A 69 GLN . middle . . 36305 1 . 1 1 7 VAL 7 . A 7 VAL . middle . . 36305 1 . 1 1 70 VAL 70 . A 70 VAL . middle . . 36305 1 . 1 1 71 TYR 71 . A 71 TYR . middle . . 36305 1 . 1 1 72 ARG 72 . A 72 ARG . middle . . 36305 1 . 1 1 73 VAL 73 . A 73 VAL . middle . . 36305 1 . 1 1 74 THR 74 . A 74 THR . middle . . 36305 1 . 1 1 75 SER 75 . A 75 SER . middle . . 36305 1 . 1 1 76 ASN 76 . A 76 ASN . middle . . 36305 1 . 1 1 77 ASP 77 . A 77 ASP . middle . . 36305 1 . 1 1 78 GLU 78 . A 78 GLU . middle . . 36305 1 . 1 1 79 VAL 79 . A 79 VAL . middle . . 36305 1 . 1 1 8 THR 8 . A 8 THR . middle . . 36305 1 . 1 1 80 GLU 80 . A 80 GLU . middle . . 36305 1 . 1 1 81 GLN 81 . A 81 GLN . middle . . 36305 1 . 1 1 82 VAL 82 . A 82 VAL . middle . . 36305 1 . 1 1 83 VAL 83 . A 83 VAL . middle . . 36305 1 . 1 1 84 LYS 84 . A 84 LYS . middle . . 36305 1 . 1 1 85 ASP 85 . A 85 ASP . middle . . 36305 1 . 1 1 86 VAL 86 . A 86 VAL . middle . . 36305 1 . 1 1 87 LYS 87 . A 87 LYS . middle . . 36305 1 . 1 1 88 GLY 88 . A 88 GLY . middle no . 36305 1 . 1 1 89 SER 89 . A 89 SER . middle . . 36305 1 . 1 1 9 SER 9 . A 9 SER . middle . . 36305 1 . 1 1 90 GLY 90 . A 90 GLY . middle no . 36305 1 . 1 1 91 LEU 91 . A 91 LEU . middle . . 36305 1 . 1 1 92 GLU 92 . A 92 GLU . middle . . 36305 1 . 1 1 93 HIS 93 . A 93 HIS . middle . . 36305 1 . 1 1 94 HIS 94 . A 94 HIS . middle . . 36305 1 . 1 1 95 HIS 95 . A 95 HIS . middle . . 36305 1 . 1 1 96 HIS 96 . A 96 HIS . middle . . 36305 1 . 1 1 97 HIS 97 . A 97 HIS . middle . . 36305 1 . 1 1 98 HIS 98 . A 98 HIS . end . . 36305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VAL88 _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; GRVVVVVTSEQVKEEVRKKF PQVEVRVVTTEEDAKQVVKE VQKKGVQKVVVVGVSEKVVQ KVKQEANVQVYRVTSNDEVE QVVKDVKGSGLEHHHHHH ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11105.688 _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 1 GLY . 36305 1 2 2 ARG . 36305 1 3 3 VAL . 36305 1 4 4 VAL . 36305 1 5 5 VAL . 36305 1 6 6 VAL . 36305 1 7 7 VAL . 36305 1 8 8 THR . 36305 1 9 9 SER . 36305 1 10 10 GLU . 36305 1 11 11 GLN . 36305 1 12 12 VAL . 36305 1 13 13 LYS . 36305 1 14 14 GLU . 36305 1 15 15 GLU . 36305 1 16 16 VAL . 36305 1 17 17 ARG . 36305 1 18 18 LYS . 36305 1 19 19 LYS . 36305 1 20 20 PHE . 36305 1 21 21 PRO . 36305 1 22 22 GLN . 36305 1 23 23 VAL . 36305 1 24 24 GLU . 36305 1 25 25 VAL . 36305 1 26 26 ARG . 36305 1 27 27 VAL . 36305 1 28 28 VAL . 36305 1 29 29 THR . 36305 1 30 30 THR . 36305 1 31 31 GLU . 36305 1 32 32 GLU . 36305 1 33 33 ASP . 36305 1 34 34 ALA . 36305 1 35 35 LYS . 36305 1 36 36 GLN . 36305 1 37 37 VAL . 36305 1 38 38 VAL . 36305 1 39 39 LYS . 36305 1 40 40 GLU . 36305 1 41 41 VAL . 36305 1 42 42 GLN . 36305 1 43 43 LYS . 36305 1 44 44 LYS . 36305 1 45 45 GLY . 36305 1 46 46 VAL . 36305 1 47 47 GLN . 36305 1 48 48 LYS . 36305 1 49 49 VAL . 36305 1 50 50 VAL . 36305 1 51 51 VAL . 36305 1 52 52 VAL . 36305 1 53 53 GLY . 36305 1 54 54 VAL . 36305 1 55 55 SER . 36305 1 56 56 GLU . 36305 1 57 57 LYS . 36305 1 58 58 VAL . 36305 1 59 59 VAL . 36305 1 60 60 GLN . 36305 1 61 61 LYS . 36305 1 62 62 VAL . 36305 1 63 63 LYS . 36305 1 64 64 GLN . 36305 1 65 65 GLU . 36305 1 66 66 ALA . 36305 1 67 67 ASN . 36305 1 68 68 VAL . 36305 1 69 69 GLN . 36305 1 70 70 VAL . 36305 1 71 71 TYR . 36305 1 72 72 ARG . 36305 1 73 73 VAL . 36305 1 74 74 THR . 36305 1 75 75 SER . 36305 1 76 76 ASN . 36305 1 77 77 ASP . 36305 1 78 78 GLU . 36305 1 79 79 VAL . 36305 1 80 80 GLU . 36305 1 81 81 GLN . 36305 1 82 82 VAL . 36305 1 83 83 VAL . 36305 1 84 84 LYS . 36305 1 85 85 ASP . 36305 1 86 86 VAL . 36305 1 87 87 LYS . 36305 1 88 88 GLY . 36305 1 89 89 SER . 36305 1 90 90 GLY . 36305 1 91 91 LEU . 36305 1 92 92 GLU . 36305 1 93 93 HIS . 36305 1 94 94 HIS . 36305 1 95 95 HIS . 36305 1 96 96 HIS . 36305 1 97 97 HIS . 36305 1 98 98 HIS . 36305 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 36305 1 . ARG 2 2 36305 1 . VAL 3 3 36305 1 . VAL 4 4 36305 1 . VAL 5 5 36305 1 . VAL 6 6 36305 1 . VAL 7 7 36305 1 . THR 8 8 36305 1 . SER 9 9 36305 1 . GLU 10 10 36305 1 . GLN 11 11 36305 1 . VAL 12 12 36305 1 . LYS 13 13 36305 1 . GLU 14 14 36305 1 . GLU 15 15 36305 1 . VAL 16 16 36305 1 . ARG 17 17 36305 1 . LYS 18 18 36305 1 . LYS 19 19 36305 1 . PHE 20 20 36305 1 . PRO 21 21 36305 1 . GLN 22 22 36305 1 . VAL 23 23 36305 1 . GLU 24 24 36305 1 . VAL 25 25 36305 1 . ARG 26 26 36305 1 . VAL 27 27 36305 1 . VAL 28 28 36305 1 . THR 29 29 36305 1 . THR 30 30 36305 1 . GLU 31 31 36305 1 . GLU 32 32 36305 1 . ASP 33 33 36305 1 . ALA 34 34 36305 1 . LYS 35 35 36305 1 . GLN 36 36 36305 1 . VAL 37 37 36305 1 . VAL 38 38 36305 1 . LYS 39 39 36305 1 . GLU 40 40 36305 1 . VAL 41 41 36305 1 . GLN 42 42 36305 1 . LYS 43 43 36305 1 . LYS 44 44 36305 1 . GLY 45 45 36305 1 . VAL 46 46 36305 1 . GLN 47 47 36305 1 . LYS 48 48 36305 1 . VAL 49 49 36305 1 . VAL 50 50 36305 1 . VAL 51 51 36305 1 . VAL 52 52 36305 1 . GLY 53 53 36305 1 . VAL 54 54 36305 1 . SER 55 55 36305 1 . GLU 56 56 36305 1 . LYS 57 57 36305 1 . VAL 58 58 36305 1 . VAL 59 59 36305 1 . GLN 60 60 36305 1 . LYS 61 61 36305 1 . VAL 62 62 36305 1 . LYS 63 63 36305 1 . GLN 64 64 36305 1 . GLU 65 65 36305 1 . ALA 66 66 36305 1 . ASN 67 67 36305 1 . VAL 68 68 36305 1 . GLN 69 69 36305 1 . VAL 70 70 36305 1 . TYR 71 71 36305 1 . ARG 72 72 36305 1 . VAL 73 73 36305 1 . THR 74 74 36305 1 . SER 75 75 36305 1 . ASN 76 76 36305 1 . ASP 77 77 36305 1 . GLU 78 78 36305 1 . VAL 79 79 36305 1 . GLU 80 80 36305 1 . GLN 81 81 36305 1 . VAL 82 82 36305 1 . VAL 83 83 36305 1 . LYS 84 84 36305 1 . ASP 85 85 36305 1 . VAL 86 86 36305 1 . LYS 87 87 36305 1 . GLY 88 88 36305 1 . SER 89 89 36305 1 . GLY 90 90 36305 1 . LEU 91 91 36305 1 . GLU 92 92 36305 1 . HIS 93 93 36305 1 . HIS 94 94 36305 1 . HIS 95 95 36305 1 . HIS 96 96 36305 1 . HIS 97 97 36305 1 . HIS 98 98 36305 1 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 36305 _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 . 32644 'no natural source' . unidentified . . . . . . . . . . . . . . . . . . . . 36305 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 36305 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36305 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-99% 13C; U-99% 15N] VAL88, 7.4 mM potassium phosphate, 1.2 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-99% 2H] D2O, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 VAL88 '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 500 . . uM . . . . 36305 1 2 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36305 1 3 'potassium phosphate' 'natural abundance' . . . . . buffer 7.4 . . mM . . . . 36305 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 1.2 . . mM . . . . 36305 1 5 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36305 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36305 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36305 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 uM [U-99% 13C; U-99% 15N] VAL88, 7.4 mM potassium phosphate, 1.2 mM sodium phosphate, 100 mM sodium chloride, 10 mg/mL Pf1 phage, 95 % H2O, 5 % [U-99% 2H] D2O, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 VAL88 '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 100 . . uM . . . . 36305 2 2 'Pf1 phage' 'natural abundance' . . . . . 'molecular alignment inductor' 10 . . mg/mL . . . . 36305 2 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 36305 2 4 'potassium phosphate' 'natural abundance' . . . . . buffer 7.4 . . mM . . . . 36305 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 1.2 . . mM . . . . 36305 2 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36305 2 7 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36305 2 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 36305 _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' 108.6 . mM 36305 1 pH 6.0 . pH 36305 1 pressure 1.0 . atm 36305 1 temperature 303 . K 36305 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36305 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36305 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36305 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36305 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36305 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36305 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36305 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 9.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36305 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36305 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36305 _Software.ID 4 _Software.Type . _Software.Name MAGRO _Software.Version 2.0.24 _Software.DOI . _Software.Details 'upgraded version of KUJIRA (Kobayashi, N. et al., 2007) for assisting chemical shift assignments and structure analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 36305 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36305 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36305 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details 'FLYA for automated sihift assignement and structure calculation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36305 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36305 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36305 _Software.ID 6 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details 'Structure calculation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36305 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36305 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36305 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version TALOS+ _Software.DOI . _Software.Details 'Dihedral angle estimation using chemical shifts of 15N, 13Ca, 13Cb and 13CO.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang, S. and Bax, Ad.' . . 36305 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36305 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 36305 _Software.ID 8 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details 'Chemical shift assignment, structure calculation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36305 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36305 8 stop_ save_ save_software_9 _Software.Sf_category software _Software.Sf_framecode software_9 _Software.Entry_ID 36305 _Software.ID 9 _Software.Type . _Software.Name MAGRO _Software.Version 2.01.12 _Software.DOI . _Software.Details 'Peak picking, Chemical shift analysis, structure analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N. upgraded version of Kujira (Kobayshi, N. et al., 2007)' . . 36305 9 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36305 9 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 36305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _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 36305 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36305 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36305 _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 . . . 36305 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 36305 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 950 . . . 36305 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36305 _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' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 2 '2D 1H-13C HSQC aliphatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 3 '2D 1H-13C HSQC aromatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 5 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 6 '3D H(CCO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 7 '3D C(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 8 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 9 '3D 1H-13C NOESY aliphatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 1 10 '3D 1H-13C NOESY aromatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36305 1 11 '2D 1H-15N IPAP HSQC' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36305 1 12 '2D 1H-15N IPAP HSQC' . . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 36305 1 13 '3D HCCH-TOCSY aliphatic' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36305 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 36305 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 36305 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36305 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 36305 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 36305 _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' 1 $sample_1 isotropic 36305 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36305 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36305 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36305 1 5 '3D HNCACB' 1 $sample_1 isotropic 36305 1 6 '3D H(CCO)NH' 1 $sample_1 isotropic 36305 1 7 '3D C(CO)NH' 1 $sample_1 isotropic 36305 1 8 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36305 1 9 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36305 1 10 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36305 1 11 '2D 1H-15N IPAP HSQC' 2 $sample_2 isotropic 36305 1 12 '2D 1H-15N IPAP HSQC' 2 $sample_2 anisotropic 36305 1 13 '3D HCCH-TOCSY aliphatic' 1 $sample_1 isotropic 36305 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 1 1 GLY HA2 H 1 4.011 0.030 . 1 . . . . A 1 GLY HA2 . 36305 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.011 0.030 . 1 . . . . A 1 GLY HA3 . 36305 1 3 . 1 . 1 1 1 GLY C C 13 174.034 0.300 . 1 . . . . A 1 GLY C . 36305 1 4 . 1 . 1 1 1 GLY CA C 13 45.213 0.300 . 1 . . . . A 1 GLY CA . 36305 1 5 . 1 . 1 2 2 ARG H H 1 8.360 0.030 . 1 . . . . A 2 ARG H . 36305 1 6 . 1 . 1 2 2 ARG HA H 1 4.346 0.030 . 1 . . . . A 2 ARG HA . 36305 1 7 . 1 . 1 2 2 ARG HB2 H 1 1.810 0.030 . 2 . . . . A 2 ARG HB2 . 36305 1 8 . 1 . 1 2 2 ARG HB3 H 1 1.956 0.030 . 2 . . . . A 2 ARG HB3 . 36305 1 9 . 1 . 1 2 2 ARG HD2 H 1 3.238 0.030 . 1 . . . . A 2 ARG HD2 . 36305 1 10 . 1 . 1 2 2 ARG HD3 H 1 3.238 0.030 . 1 . . . . A 2 ARG HD3 . 36305 1 11 . 1 . 1 2 2 ARG HG2 H 1 1.437 0.030 . 2 . . . . A 2 ARG HG2 . 36305 1 12 . 1 . 1 2 2 ARG HG3 H 1 1.589 0.030 . 2 . . . . A 2 ARG HG3 . 36305 1 13 . 1 . 1 2 2 ARG C C 13 175.529 0.300 . 1 . . . . A 2 ARG C . 36305 1 14 . 1 . 1 2 2 ARG CA C 13 56.717 0.300 . 1 . . . . A 2 ARG CA . 36305 1 15 . 1 . 1 2 2 ARG CB C 13 31.966 0.300 . 1 . . . . A 2 ARG CB . 36305 1 16 . 1 . 1 2 2 ARG CD C 13 43.530 0.300 . 1 . . . . A 2 ARG CD . 36305 1 17 . 1 . 1 2 2 ARG CG C 13 27.860 0.300 . 1 . . . . A 2 ARG CG . 36305 1 18 . 1 . 1 2 2 ARG N N 15 119.610 0.300 . 1 . . . . A 2 ARG N . 36305 1 19 . 1 . 1 3 3 VAL H H 1 8.331 0.030 . 1 . . . . A 3 VAL H . 36305 1 20 . 1 . 1 3 3 VAL HA H 1 4.940 0.030 . 1 . . . . A 3 VAL HA . 36305 1 21 . 1 . 1 3 3 VAL HB H 1 1.909 0.030 . 1 . . . . A 3 VAL HB . 36305 1 22 . 1 . 1 3 3 VAL HG11 H 1 0.732 0.030 . 2 . . . . A 3 VAL HG11 . 36305 1 23 . 1 . 1 3 3 VAL HG12 H 1 0.732 0.030 . 2 . . . . A 3 VAL HG12 . 36305 1 24 . 1 . 1 3 3 VAL HG13 H 1 0.732 0.030 . 2 . . . . A 3 VAL HG13 . 36305 1 25 . 1 . 1 3 3 VAL HG21 H 1 0.886 0.030 . 2 . . . . A 3 VAL HG21 . 36305 1 26 . 1 . 1 3 3 VAL HG22 H 1 0.886 0.030 . 2 . . . . A 3 VAL HG22 . 36305 1 27 . 1 . 1 3 3 VAL HG23 H 1 0.886 0.030 . 2 . . . . A 3 VAL HG23 . 36305 1 28 . 1 . 1 3 3 VAL C C 13 174.699 0.300 . 1 . . . . A 3 VAL C . 36305 1 29 . 1 . 1 3 3 VAL CA C 13 60.707 0.300 . 1 . . . . A 3 VAL CA . 36305 1 30 . 1 . 1 3 3 VAL CB C 13 34.846 0.300 . 1 . . . . A 3 VAL CB . 36305 1 31 . 1 . 1 3 3 VAL CG1 C 13 21.184 0.300 . 2 . . . . A 3 VAL CG1 . 36305 1 32 . 1 . 1 3 3 VAL CG2 C 13 22.021 0.300 . 2 . . . . A 3 VAL CG2 . 36305 1 33 . 1 . 1 3 3 VAL N N 15 121.608 0.300 . 1 . . . . A 3 VAL N . 36305 1 34 . 1 . 1 4 4 VAL H H 1 7.928 0.030 . 1 . . . . A 4 VAL H . 36305 1 35 . 1 . 1 4 4 VAL HA H 1 4.827 0.030 . 1 . . . . A 4 VAL HA . 36305 1 36 . 1 . 1 4 4 VAL HB H 1 1.787 0.030 . 1 . . . . A 4 VAL HB . 36305 1 37 . 1 . 1 4 4 VAL HG11 H 1 0.772 0.030 . 2 . . . . A 4 VAL HG11 . 36305 1 38 . 1 . 1 4 4 VAL HG12 H 1 0.772 0.030 . 2 . . . . A 4 VAL HG12 . 36305 1 39 . 1 . 1 4 4 VAL HG13 H 1 0.772 0.030 . 2 . . . . A 4 VAL HG13 . 36305 1 40 . 1 . 1 4 4 VAL HG21 H 1 0.909 0.030 . 2 . . . . A 4 VAL HG21 . 36305 1 41 . 1 . 1 4 4 VAL HG22 H 1 0.909 0.030 . 2 . . . . A 4 VAL HG22 . 36305 1 42 . 1 . 1 4 4 VAL HG23 H 1 0.909 0.030 . 2 . . . . A 4 VAL HG23 . 36305 1 43 . 1 . 1 4 4 VAL C C 13 173.462 0.300 . 1 . . . . A 4 VAL C . 36305 1 44 . 1 . 1 4 4 VAL CA C 13 60.433 0.300 . 1 . . . . A 4 VAL CA . 36305 1 45 . 1 . 1 4 4 VAL CB C 13 35.166 0.300 . 1 . . . . A 4 VAL CB . 36305 1 46 . 1 . 1 4 4 VAL CG1 C 13 20.908 0.300 . 2 . . . . A 4 VAL CG1 . 36305 1 47 . 1 . 1 4 4 VAL CG2 C 13 22.587 0.300 . 2 . . . . A 4 VAL CG2 . 36305 1 48 . 1 . 1 4 4 VAL N N 15 125.091 0.300 . 1 . . . . A 4 VAL N . 36305 1 49 . 1 . 1 5 5 VAL H H 1 9.004 0.030 . 1 . . . . A 5 VAL H . 36305 1 50 . 1 . 1 5 5 VAL HA H 1 5.024 0.030 . 1 . . . . A 5 VAL HA . 36305 1 51 . 1 . 1 5 5 VAL HB H 1 1.963 0.030 . 1 . . . . A 5 VAL HB . 36305 1 52 . 1 . 1 5 5 VAL HG11 H 1 0.671 0.030 . 2 . . . . A 5 VAL HG11 . 36305 1 53 . 1 . 1 5 5 VAL HG12 H 1 0.671 0.030 . 2 . . . . A 5 VAL HG12 . 36305 1 54 . 1 . 1 5 5 VAL HG13 H 1 0.671 0.030 . 2 . . . . A 5 VAL HG13 . 36305 1 55 . 1 . 1 5 5 VAL HG21 H 1 0.781 0.030 . 2 . . . . A 5 VAL HG21 . 36305 1 56 . 1 . 1 5 5 VAL HG22 H 1 0.781 0.030 . 2 . . . . A 5 VAL HG22 . 36305 1 57 . 1 . 1 5 5 VAL HG23 H 1 0.781 0.030 . 2 . . . . A 5 VAL HG23 . 36305 1 58 . 1 . 1 5 5 VAL C C 13 174.097 0.300 . 1 . . . . A 5 VAL C . 36305 1 59 . 1 . 1 5 5 VAL CA C 13 60.348 0.300 . 1 . . . . A 5 VAL CA . 36305 1 60 . 1 . 1 5 5 VAL CB C 13 33.168 0.300 . 1 . . . . A 5 VAL CB . 36305 1 61 . 1 . 1 5 5 VAL CG1 C 13 21.581 0.300 . 2 . . . . A 5 VAL CG1 . 36305 1 62 . 1 . 1 5 5 VAL CG2 C 13 21.581 0.300 . 2 . . . . A 5 VAL CG2 . 36305 1 63 . 1 . 1 5 5 VAL N N 15 127.713 0.300 . 1 . . . . A 5 VAL N . 36305 1 64 . 1 . 1 6 6 VAL H H 1 9.516 0.030 . 1 . . . . A 6 VAL H . 36305 1 65 . 1 . 1 6 6 VAL HA H 1 5.070 0.030 . 1 . . . . A 6 VAL HA . 36305 1 66 . 1 . 1 6 6 VAL HB H 1 1.976 0.030 . 1 . . . . A 6 VAL HB . 36305 1 67 . 1 . 1 6 6 VAL HG11 H 1 0.779 0.030 . 2 . . . . A 6 VAL HG11 . 36305 1 68 . 1 . 1 6 6 VAL HG12 H 1 0.779 0.030 . 2 . . . . A 6 VAL HG12 . 36305 1 69 . 1 . 1 6 6 VAL HG13 H 1 0.779 0.030 . 2 . . . . A 6 VAL HG13 . 36305 1 70 . 1 . 1 6 6 VAL HG21 H 1 0.886 0.030 . 2 . . . . A 6 VAL HG21 . 36305 1 71 . 1 . 1 6 6 VAL HG22 H 1 0.886 0.030 . 2 . . . . A 6 VAL HG22 . 36305 1 72 . 1 . 1 6 6 VAL HG23 H 1 0.886 0.030 . 2 . . . . A 6 VAL HG23 . 36305 1 73 . 1 . 1 6 6 VAL C C 13 174.386 0.300 . 1 . . . . A 6 VAL C . 36305 1 74 . 1 . 1 6 6 VAL CA C 13 60.760 0.300 . 1 . . . . A 6 VAL CA . 36305 1 75 . 1 . 1 6 6 VAL CB C 13 33.337 0.300 . 1 . . . . A 6 VAL CB . 36305 1 76 . 1 . 1 6 6 VAL CG1 C 13 21.847 0.300 . 2 . . . . A 6 VAL CG1 . 36305 1 77 . 1 . 1 6 6 VAL CG2 C 13 22.838 0.300 . 2 . . . . A 6 VAL CG2 . 36305 1 78 . 1 . 1 6 6 VAL N N 15 127.839 0.300 . 1 . . . . A 6 VAL N . 36305 1 79 . 1 . 1 7 7 VAL H H 1 8.742 0.030 . 1 . . . . A 7 VAL H . 36305 1 80 . 1 . 1 7 7 VAL HA H 1 5.300 0.030 . 1 . . . . A 7 VAL HA . 36305 1 81 . 1 . 1 7 7 VAL HB H 1 2.505 0.030 . 1 . . . . A 7 VAL HB . 36305 1 82 . 1 . 1 7 7 VAL HG11 H 1 0.753 0.030 . 2 . . . . A 7 VAL HG11 . 36305 1 83 . 1 . 1 7 7 VAL HG12 H 1 0.753 0.030 . 2 . . . . A 7 VAL HG12 . 36305 1 84 . 1 . 1 7 7 VAL HG13 H 1 0.753 0.030 . 2 . . . . A 7 VAL HG13 . 36305 1 85 . 1 . 1 7 7 VAL HG21 H 1 0.808 0.030 . 2 . . . . A 7 VAL HG21 . 36305 1 86 . 1 . 1 7 7 VAL HG22 H 1 0.808 0.030 . 2 . . . . A 7 VAL HG22 . 36305 1 87 . 1 . 1 7 7 VAL HG23 H 1 0.808 0.030 . 2 . . . . A 7 VAL HG23 . 36305 1 88 . 1 . 1 7 7 VAL C C 13 176.010 0.300 . 1 . . . . A 7 VAL C . 36305 1 89 . 1 . 1 7 7 VAL CA C 13 58.170 0.300 . 1 . . . . A 7 VAL CA . 36305 1 90 . 1 . 1 7 7 VAL CB C 13 34.801 0.300 . 1 . . . . A 7 VAL CB . 36305 1 91 . 1 . 1 7 7 VAL CG1 C 13 19.735 0.300 . 2 . . . . A 7 VAL CG1 . 36305 1 92 . 1 . 1 7 7 VAL CG2 C 13 22.426 0.300 . 2 . . . . A 7 VAL CG2 . 36305 1 93 . 1 . 1 7 7 VAL N N 15 117.199 0.300 . 1 . . . . A 7 VAL N . 36305 1 94 . 1 . 1 8 8 THR H H 1 8.649 0.030 . 1 . . . . A 8 THR H . 36305 1 95 . 1 . 1 8 8 THR HA H 1 4.855 0.030 . 1 . . . . A 8 THR HA . 36305 1 96 . 1 . 1 8 8 THR HB H 1 4.616 0.030 . 1 . . . . A 8 THR HB . 36305 1 97 . 1 . 1 8 8 THR HG21 H 1 1.310 0.030 . 1 . . . . A 8 THR HG21 . 36305 1 98 . 1 . 1 8 8 THR HG22 H 1 1.310 0.030 . 1 . . . . A 8 THR HG22 . 36305 1 99 . 1 . 1 8 8 THR HG23 H 1 1.310 0.030 . 1 . . . . A 8 THR HG23 . 36305 1 100 . 1 . 1 8 8 THR C C 13 174.539 0.300 . 1 . . . . A 8 THR C . 36305 1 101 . 1 . 1 8 8 THR CA C 13 61.937 0.300 . 1 . . . . A 8 THR CA . 36305 1 102 . 1 . 1 8 8 THR CB C 13 70.492 0.300 . 1 . . . . A 8 THR CB . 36305 1 103 . 1 . 1 8 8 THR CG2 C 13 22.099 0.300 . 1 . . . . A 8 THR CG2 . 36305 1 104 . 1 . 1 8 8 THR N N 15 106.003 0.300 . 1 . . . . A 8 THR N . 36305 1 105 . 1 . 1 9 9 SER H H 1 7.183 0.030 . 1 . . . . A 9 SER H . 36305 1 106 . 1 . 1 9 9 SER HA H 1 4.832 0.030 . 1 . . . . A 9 SER HA . 36305 1 107 . 1 . 1 9 9 SER HB2 H 1 3.954 0.030 . 2 . . . . A 9 SER HB2 . 36305 1 108 . 1 . 1 9 9 SER HB3 H 1 4.288 0.030 . 2 . . . . A 9 SER HB3 . 36305 1 109 . 1 . 1 9 9 SER C C 13 174.244 0.300 . 1 . . . . A 9 SER C . 36305 1 110 . 1 . 1 9 9 SER CA C 13 56.663 0.300 . 1 . . . . A 9 SER CA . 36305 1 111 . 1 . 1 9 9 SER CB C 13 66.548 0.300 . 1 . . . . A 9 SER CB . 36305 1 112 . 1 . 1 9 9 SER N N 15 111.714 0.300 . 1 . . . . A 9 SER N . 36305 1 113 . 1 . 1 10 10 GLU H H 1 9.293 0.030 . 1 . . . . A 10 GLU H . 36305 1 114 . 1 . 1 10 10 GLU HA H 1 4.005 0.030 . 1 . . . . A 10 GLU HA . 36305 1 115 . 1 . 1 10 10 GLU HB2 H 1 2.041 0.030 . 1 . . . . A 10 GLU HB2 . 36305 1 116 . 1 . 1 10 10 GLU HB3 H 1 2.041 0.030 . 1 . . . . A 10 GLU HB3 . 36305 1 117 . 1 . 1 10 10 GLU HG2 H 1 2.388 0.030 . 1 . . . . A 10 GLU HG2 . 36305 1 118 . 1 . 1 10 10 GLU HG3 H 1 2.388 0.030 . 1 . . . . A 10 GLU HG3 . 36305 1 119 . 1 . 1 10 10 GLU C C 13 178.214 0.300 . 1 . . . . A 10 GLU C . 36305 1 120 . 1 . 1 10 10 GLU CA C 13 58.966 0.300 . 1 . . . . A 10 GLU CA . 36305 1 121 . 1 . 1 10 10 GLU CB C 13 29.263 0.300 . 1 . . . . A 10 GLU CB . 36305 1 122 . 1 . 1 10 10 GLU CG C 13 35.564 0.300 . 1 . . . . A 10 GLU CG . 36305 1 123 . 1 . 1 10 10 GLU N N 15 123.922 0.300 . 1 . . . . A 10 GLU N . 36305 1 124 . 1 . 1 11 11 GLN H H 1 8.415 0.030 . 1 . . . . A 11 GLN H . 36305 1 125 . 1 . 1 11 11 GLN HA H 1 4.093 0.030 . 1 . . . . A 11 GLN HA . 36305 1 126 . 1 . 1 11 11 GLN HB2 H 1 2.170 0.030 . 2 . . . . A 11 GLN HB2 . 36305 1 127 . 1 . 1 11 11 GLN HB3 H 1 2.028 0.030 . 2 . . . . A 11 GLN HB3 . 36305 1 128 . 1 . 1 11 11 GLN HG2 H 1 2.475 0.030 . 1 . . . . A 11 GLN HG2 . 36305 1 129 . 1 . 1 11 11 GLN HG3 H 1 2.475 0.030 . 1 . . . . A 11 GLN HG3 . 36305 1 130 . 1 . 1 11 11 GLN C C 13 178.831 0.300 . 1 . . . . A 11 GLN C . 36305 1 131 . 1 . 1 11 11 GLN CA C 13 59.751 0.300 . 1 . . . . A 11 GLN CA . 36305 1 132 . 1 . 1 11 11 GLN CB C 13 28.070 0.300 . 1 . . . . A 11 GLN CB . 36305 1 133 . 1 . 1 11 11 GLN CG C 13 34.103 0.300 . 1 . . . . A 11 GLN CG . 36305 1 134 . 1 . 1 11 11 GLN N N 15 119.100 0.300 . 1 . . . . A 11 GLN N . 36305 1 135 . 1 . 1 12 12 VAL H H 1 7.474 0.030 . 1 . . . . A 12 VAL H . 36305 1 136 . 1 . 1 12 12 VAL HA H 1 3.795 0.030 . 1 . . . . A 12 VAL HA . 36305 1 137 . 1 . 1 12 12 VAL HB H 1 1.963 0.030 . 1 . . . . A 12 VAL HB . 36305 1 138 . 1 . 1 12 12 VAL HG11 H 1 1.074 0.030 . 2 . . . . A 12 VAL HG11 . 36305 1 139 . 1 . 1 12 12 VAL HG12 H 1 1.074 0.030 . 2 . . . . A 12 VAL HG12 . 36305 1 140 . 1 . 1 12 12 VAL HG13 H 1 1.074 0.030 . 2 . . . . A 12 VAL HG13 . 36305 1 141 . 1 . 1 12 12 VAL HG21 H 1 1.058 0.030 . 2 . . . . A 12 VAL HG21 . 36305 1 142 . 1 . 1 12 12 VAL HG22 H 1 1.058 0.030 . 2 . . . . A 12 VAL HG22 . 36305 1 143 . 1 . 1 12 12 VAL HG23 H 1 1.058 0.030 . 2 . . . . A 12 VAL HG23 . 36305 1 144 . 1 . 1 12 12 VAL C C 13 177.866 0.300 . 1 . . . . A 12 VAL C . 36305 1 145 . 1 . 1 12 12 VAL CA C 13 66.089 0.300 . 1 . . . . A 12 VAL CA . 36305 1 146 . 1 . 1 12 12 VAL CB C 13 32.132 0.300 . 1 . . . . A 12 VAL CB . 36305 1 147 . 1 . 1 12 12 VAL CG1 C 13 21.777 0.300 . 2 . . . . A 12 VAL CG1 . 36305 1 148 . 1 . 1 12 12 VAL CG2 C 13 22.831 0.300 . 2 . . . . A 12 VAL CG2 . 36305 1 149 . 1 . 1 12 12 VAL N N 15 120.030 0.300 . 1 . . . . A 12 VAL N . 36305 1 150 . 1 . 1 13 13 LYS H H 1 7.916 0.030 . 1 . . . . A 13 LYS H . 36305 1 151 . 1 . 1 13 13 LYS HA H 1 3.787 0.030 . 1 . . . . A 13 LYS HA . 36305 1 152 . 1 . 1 13 13 LYS HB2 H 1 1.580 0.030 . 1 . . . . A 13 LYS HB2 . 36305 1 153 . 1 . 1 13 13 LYS HB3 H 1 1.580 0.030 . 1 . . . . A 13 LYS HB3 . 36305 1 154 . 1 . 1 13 13 LYS HG2 H 1 1.227 0.030 . 1 . . . . A 13 LYS HG2 . 36305 1 155 . 1 . 1 13 13 LYS HG3 H 1 1.227 0.030 . 1 . . . . A 13 LYS HG3 . 36305 1 156 . 1 . 1 13 13 LYS C C 13 177.234 0.300 . 1 . . . . A 13 LYS C . 36305 1 157 . 1 . 1 13 13 LYS CA C 13 60.127 0.300 . 1 . . . . A 13 LYS CA . 36305 1 158 . 1 . 1 13 13 LYS CB C 13 31.235 0.300 . 1 . . . . A 13 LYS CB . 36305 1 159 . 1 . 1 13 13 LYS CD C 13 30.036 0.300 . 1 . . . . A 13 LYS CD . 36305 1 160 . 1 . 1 13 13 LYS CG C 13 24.270 0.300 . 1 . . . . A 13 LYS CG . 36305 1 161 . 1 . 1 13 13 LYS N N 15 120.888 0.300 . 1 . . . . A 13 LYS N . 36305 1 162 . 1 . 1 14 14 GLU H H 1 8.060 0.030 . 1 . . . . A 14 GLU H . 36305 1 163 . 1 . 1 14 14 GLU HA H 1 4.074 0.030 . 1 . . . . A 14 GLU HA . 36305 1 164 . 1 . 1 14 14 GLU HB2 H 1 2.143 0.030 . 1 . . . . A 14 GLU HB2 . 36305 1 165 . 1 . 1 14 14 GLU HB3 H 1 2.143 0.030 . 1 . . . . A 14 GLU HB3 . 36305 1 166 . 1 . 1 14 14 GLU HG2 H 1 2.412 0.030 . 1 . . . . A 14 GLU HG2 . 36305 1 167 . 1 . 1 14 14 GLU HG3 H 1 2.412 0.030 . 1 . . . . A 14 GLU HG3 . 36305 1 168 . 1 . 1 14 14 GLU C C 13 178.776 0.300 . 1 . . . . A 14 GLU C . 36305 1 169 . 1 . 1 14 14 GLU CA C 13 58.983 0.300 . 1 . . . . A 14 GLU CA . 36305 1 170 . 1 . 1 14 14 GLU CB C 13 29.394 0.300 . 1 . . . . A 14 GLU CB . 36305 1 171 . 1 . 1 14 14 GLU CG C 13 36.177 0.300 . 1 . . . . A 14 GLU CG . 36305 1 172 . 1 . 1 14 14 GLU N N 15 117.061 0.300 . 1 . . . . A 14 GLU N . 36305 1 173 . 1 . 1 15 15 GLU H H 1 7.562 0.030 . 1 . . . . A 15 GLU H . 36305 1 174 . 1 . 1 15 15 GLU HA H 1 4.073 0.030 . 1 . . . . A 15 GLU HA . 36305 1 175 . 1 . 1 15 15 GLU HB2 H 1 2.297 0.030 . 1 . . . . A 15 GLU HB2 . 36305 1 176 . 1 . 1 15 15 GLU HB3 H 1 2.297 0.030 . 1 . . . . A 15 GLU HB3 . 36305 1 177 . 1 . 1 15 15 GLU HG2 H 1 2.156 0.030 . 1 . . . . A 15 GLU HG2 . 36305 1 178 . 1 . 1 15 15 GLU HG3 H 1 2.156 0.030 . 1 . . . . A 15 GLU HG3 . 36305 1 179 . 1 . 1 15 15 GLU C C 13 179.684 0.300 . 1 . . . . A 15 GLU C . 36305 1 180 . 1 . 1 15 15 GLU CA C 13 59.426 0.300 . 1 . . . . A 15 GLU CA . 36305 1 181 . 1 . 1 15 15 GLU CB C 13 29.706 0.300 . 1 . . . . A 15 GLU CB . 36305 1 182 . 1 . 1 15 15 GLU CG C 13 36.105 0.300 . 1 . . . . A 15 GLU CG . 36305 1 183 . 1 . 1 15 15 GLU N N 15 119.174 0.300 . 1 . . . . A 15 GLU N . 36305 1 184 . 1 . 1 16 16 VAL H H 1 8.519 0.030 . 1 . . . . A 16 VAL H . 36305 1 185 . 1 . 1 16 16 VAL HA H 1 3.760 0.030 . 1 . . . . A 16 VAL HA . 36305 1 186 . 1 . 1 16 16 VAL HB H 1 2.207 0.030 . 1 . . . . A 16 VAL HB . 36305 1 187 . 1 . 1 16 16 VAL HG11 H 1 0.995 0.030 . 2 . . . . A 16 VAL HG11 . 36305 1 188 . 1 . 1 16 16 VAL HG12 H 1 0.995 0.030 . 2 . . . . A 16 VAL HG12 . 36305 1 189 . 1 . 1 16 16 VAL HG13 H 1 0.995 0.030 . 2 . . . . A 16 VAL HG13 . 36305 1 190 . 1 . 1 16 16 VAL HG21 H 1 1.108 0.030 . 2 . . . . A 16 VAL HG21 . 36305 1 191 . 1 . 1 16 16 VAL HG22 H 1 1.108 0.030 . 2 . . . . A 16 VAL HG22 . 36305 1 192 . 1 . 1 16 16 VAL HG23 H 1 1.108 0.030 . 2 . . . . A 16 VAL HG23 . 36305 1 193 . 1 . 1 16 16 VAL C C 13 177.714 0.300 . 1 . . . . A 16 VAL C . 36305 1 194 . 1 . 1 16 16 VAL CA C 13 66.901 0.300 . 1 . . . . A 16 VAL CA . 36305 1 195 . 1 . 1 16 16 VAL CB C 13 31.788 0.300 . 1 . . . . A 16 VAL CB . 36305 1 196 . 1 . 1 16 16 VAL CG1 C 13 22.503 0.300 . 2 . . . . A 16 VAL CG1 . 36305 1 197 . 1 . 1 16 16 VAL CG2 C 13 23.192 0.300 . 2 . . . . A 16 VAL CG2 . 36305 1 198 . 1 . 1 16 16 VAL N N 15 119.804 0.300 . 1 . . . . A 16 VAL N . 36305 1 199 . 1 . 1 17 17 ARG H H 1 8.637 0.030 . 1 . . . . A 17 ARG H . 36305 1 200 . 1 . 1 17 17 ARG HA H 1 4.008 0.030 . 1 . . . . A 17 ARG HA . 36305 1 201 . 1 . 1 17 17 ARG HB2 H 1 1.851 0.030 . 2 . . . . A 17 ARG HB2 . 36305 1 202 . 1 . 1 17 17 ARG HB3 H 1 1.923 0.030 . 2 . . . . A 17 ARG HB3 . 36305 1 203 . 1 . 1 17 17 ARG HD2 H 1 3.197 0.030 . 2 . . . . A 17 ARG HD2 . 36305 1 204 . 1 . 1 17 17 ARG HD3 H 1 3.315 0.030 . 2 . . . . A 17 ARG HD3 . 36305 1 205 . 1 . 1 17 17 ARG HG2 H 1 1.749 0.030 . 1 . . . . A 17 ARG HG2 . 36305 1 206 . 1 . 1 17 17 ARG HG3 H 1 1.749 0.030 . 1 . . . . A 17 ARG HG3 . 36305 1 207 . 1 . 1 17 17 ARG C C 13 178.032 0.300 . 1 . . . . A 17 ARG C . 36305 1 208 . 1 . 1 17 17 ARG CA C 13 58.654 0.300 . 1 . . . . A 17 ARG CA . 36305 1 209 . 1 . 1 17 17 ARG CB C 13 29.821 0.300 . 1 . . . . A 17 ARG CB . 36305 1 210 . 1 . 1 17 17 ARG CD C 13 43.455 0.300 . 1 . . . . A 17 ARG CD . 36305 1 211 . 1 . 1 17 17 ARG CG C 13 27.435 0.300 . 1 . . . . A 17 ARG CG . 36305 1 212 . 1 . 1 17 17 ARG N N 15 118.679 0.300 . 1 . . . . A 17 ARG N . 36305 1 213 . 1 . 1 18 18 LYS H H 1 7.459 0.030 . 1 . . . . A 18 LYS H . 36305 1 214 . 1 . 1 18 18 LYS HA H 1 3.978 0.030 . 1 . . . . A 18 LYS HA . 36305 1 215 . 1 . 1 18 18 LYS HB2 H 1 1.870 0.030 . 1 . . . . A 18 LYS HB2 . 36305 1 216 . 1 . 1 18 18 LYS HB3 H 1 1.870 0.030 . 1 . . . . A 18 LYS HB3 . 36305 1 217 . 1 . 1 18 18 LYS HD2 H 1 1.639 0.030 . 2 . . . . A 18 LYS HD2 . 36305 1 218 . 1 . 1 18 18 LYS HD3 H 1 1.751 0.030 . 2 . . . . A 18 LYS HD3 . 36305 1 219 . 1 . 1 18 18 LYS HE2 H 1 2.964 0.030 . 1 . . . . A 18 LYS HE2 . 36305 1 220 . 1 . 1 18 18 LYS HE3 H 1 2.964 0.030 . 1 . . . . A 18 LYS HE3 . 36305 1 221 . 1 . 1 18 18 LYS HG2 H 1 1.633 0.030 . 1 . . . . A 18 LYS HG2 . 36305 1 222 . 1 . 1 18 18 LYS HG3 H 1 1.633 0.030 . 1 . . . . A 18 LYS HG3 . 36305 1 223 . 1 . 1 18 18 LYS C C 13 178.100 0.300 . 1 . . . . A 18 LYS C . 36305 1 224 . 1 . 1 18 18 LYS CA C 13 58.769 0.300 . 1 . . . . A 18 LYS CA . 36305 1 225 . 1 . 1 18 18 LYS CB C 13 32.778 0.300 . 1 . . . . A 18 LYS CB . 36305 1 226 . 1 . 1 18 18 LYS CD C 13 29.357 0.300 . 1 . . . . A 18 LYS CD . 36305 1 227 . 1 . 1 18 18 LYS CG C 13 25.424 0.300 . 1 . . . . A 18 LYS CG . 36305 1 228 . 1 . 1 18 18 LYS N N 15 116.108 0.300 . 1 . . . . A 18 LYS N . 36305 1 229 . 1 . 1 19 19 LYS H H 1 7.141 0.030 . 1 . . . . A 19 LYS H . 36305 1 230 . 1 . 1 19 19 LYS HA H 1 3.951 0.030 . 1 . . . . A 19 LYS HA . 36305 1 231 . 1 . 1 19 19 LYS HB2 H 1 1.075 0.030 . 2 . . . . A 19 LYS HB2 . 36305 1 232 . 1 . 1 19 19 LYS HB3 H 1 1.448 0.030 . 2 . . . . A 19 LYS HB3 . 36305 1 233 . 1 . 1 19 19 LYS C C 13 176.136 0.300 . 1 . . . . A 19 LYS C . 36305 1 234 . 1 . 1 19 19 LYS CA C 13 57.667 0.300 . 1 . . . . A 19 LYS CA . 36305 1 235 . 1 . 1 19 19 LYS CB C 13 33.995 0.300 . 1 . . . . A 19 LYS CB . 36305 1 236 . 1 . 1 19 19 LYS CD C 13 28.865 0.300 . 1 . . . . A 19 LYS CD . 36305 1 237 . 1 . 1 19 19 LYS CG C 13 25.334 0.300 . 1 . . . . A 19 LYS CG . 36305 1 238 . 1 . 1 19 19 LYS N N 15 117.243 0.300 . 1 . . . . A 19 LYS N . 36305 1 239 . 1 . 1 20 20 PHE H H 1 8.304 0.030 . 1 . . . . A 20 PHE H . 36305 1 240 . 1 . 1 20 20 PHE HA H 1 5.175 0.030 . 1 . . . . A 20 PHE HA . 36305 1 241 . 1 . 1 20 20 PHE HB2 H 1 2.960 0.030 . 1 . . . . A 20 PHE HB2 . 36305 1 242 . 1 . 1 20 20 PHE HB3 H 1 2.960 0.030 . 1 . . . . A 20 PHE HB3 . 36305 1 243 . 1 . 1 20 20 PHE HD1 H 1 7.342 0.030 . 1 . . . . A 20 PHE HD1 . 36305 1 244 . 1 . 1 20 20 PHE HD2 H 1 7.342 0.030 . 1 . . . . A 20 PHE HD2 . 36305 1 245 . 1 . 1 20 20 PHE HE1 H 1 7.246 0.030 . 1 . . . . A 20 PHE HE1 . 36305 1 246 . 1 . 1 20 20 PHE HE2 H 1 7.246 0.030 . 1 . . . . A 20 PHE HE2 . 36305 1 247 . 1 . 1 20 20 PHE HZ H 1 7.299 0.030 . 1 . . . . A 20 PHE HZ . 36305 1 248 . 1 . 1 20 20 PHE CA C 13 54.657 0.300 . 1 . . . . A 20 PHE CA . 36305 1 249 . 1 . 1 20 20 PHE CB C 13 39.389 0.300 . 1 . . . . A 20 PHE CB . 36305 1 250 . 1 . 1 20 20 PHE CD1 C 13 132.958 0.300 . 1 . . . . A 20 PHE CD1 . 36305 1 251 . 1 . 1 20 20 PHE CD2 C 13 132.958 0.300 . 1 . . . . A 20 PHE CD2 . 36305 1 252 . 1 . 1 20 20 PHE CE1 C 13 130.441 0.300 . 1 . . . . A 20 PHE CE1 . 36305 1 253 . 1 . 1 20 20 PHE CE2 C 13 130.441 0.300 . 1 . . . . A 20 PHE CE2 . 36305 1 254 . 1 . 1 20 20 PHE CZ C 13 128.945 0.300 . 1 . . . . A 20 PHE CZ . 36305 1 255 . 1 . 1 20 20 PHE N N 15 116.434 0.300 . 1 . . . . A 20 PHE N . 36305 1 256 . 1 . 1 21 21 PRO HA H 1 4.624 0.030 . 1 . . . . A 21 PRO HA . 36305 1 257 . 1 . 1 21 21 PRO HB2 H 1 2.463 0.030 . 1 . . . . A 21 PRO HB2 . 36305 1 258 . 1 . 1 21 21 PRO HB3 H 1 2.463 0.030 . 1 . . . . A 21 PRO HB3 . 36305 1 259 . 1 . 1 21 21 PRO HD2 H 1 3.345 0.030 . 2 . . . . A 21 PRO HD2 . 36305 1 260 . 1 . 1 21 21 PRO HD3 H 1 3.716 0.030 . 2 . . . . A 21 PRO HD3 . 36305 1 261 . 1 . 1 21 21 PRO HG2 H 1 1.976 0.030 . 2 . . . . A 21 PRO HG2 . 36305 1 262 . 1 . 1 21 21 PRO HG3 H 1 2.031 0.030 . 2 . . . . A 21 PRO HG3 . 36305 1 263 . 1 . 1 21 21 PRO C C 13 177.579 0.300 . 1 . . . . A 21 PRO C . 36305 1 264 . 1 . 1 21 21 PRO CA C 13 64.725 0.300 . 1 . . . . A 21 PRO CA . 36305 1 265 . 1 . 1 21 21 PRO CB C 13 32.239 0.300 . 1 . . . . A 21 PRO CB . 36305 1 266 . 1 . 1 21 21 PRO CD C 13 50.258 0.300 . 1 . . . . A 21 PRO CD . 36305 1 267 . 1 . 1 21 21 PRO CG C 13 27.227 0.300 . 1 . . . . A 21 PRO CG . 36305 1 268 . 1 . 1 22 22 GLN H H 1 8.975 0.030 . 1 . . . . A 22 GLN H . 36305 1 269 . 1 . 1 22 22 GLN HA H 1 4.525 0.030 . 1 . . . . A 22 GLN HA . 36305 1 270 . 1 . 1 22 22 GLN HB2 H 1 2.143 0.030 . 1 . . . . A 22 GLN HB2 . 36305 1 271 . 1 . 1 22 22 GLN HB3 H 1 2.143 0.030 . 1 . . . . A 22 GLN HB3 . 36305 1 272 . 1 . 1 22 22 GLN C C 13 176.598 0.300 . 1 . . . . A 22 GLN C . 36305 1 273 . 1 . 1 22 22 GLN CA C 13 56.058 0.300 . 1 . . . . A 22 GLN CA . 36305 1 274 . 1 . 1 22 22 GLN CB C 13 28.626 0.300 . 1 . . . . A 22 GLN CB . 36305 1 275 . 1 . 1 22 22 GLN CG C 13 34.002 0.300 . 1 . . . . A 22 GLN CG . 36305 1 276 . 1 . 1 22 22 GLN N N 15 115.400 0.300 . 1 . . . . A 22 GLN N . 36305 1 277 . 1 . 1 23 23 VAL H H 1 7.443 0.030 . 1 . . . . A 23 VAL H . 36305 1 278 . 1 . 1 23 23 VAL HA H 1 4.520 0.030 . 1 . . . . A 23 VAL HA . 36305 1 279 . 1 . 1 23 23 VAL HB H 1 2.099 0.030 . 1 . . . . A 23 VAL HB . 36305 1 280 . 1 . 1 23 23 VAL HG11 H 1 0.897 0.030 . 2 . . . . A 23 VAL HG11 . 36305 1 281 . 1 . 1 23 23 VAL HG12 H 1 0.897 0.030 . 2 . . . . A 23 VAL HG12 . 36305 1 282 . 1 . 1 23 23 VAL HG13 H 1 0.897 0.030 . 2 . . . . A 23 VAL HG13 . 36305 1 283 . 1 . 1 23 23 VAL HG21 H 1 0.761 0.030 . 2 . . . . A 23 VAL HG21 . 36305 1 284 . 1 . 1 23 23 VAL HG22 H 1 0.761 0.030 . 2 . . . . A 23 VAL HG22 . 36305 1 285 . 1 . 1 23 23 VAL HG23 H 1 0.761 0.030 . 2 . . . . A 23 VAL HG23 . 36305 1 286 . 1 . 1 23 23 VAL C C 13 174.869 0.300 . 1 . . . . A 23 VAL C . 36305 1 287 . 1 . 1 23 23 VAL CA C 13 60.762 0.300 . 1 . . . . A 23 VAL CA . 36305 1 288 . 1 . 1 23 23 VAL CB C 13 33.007 0.300 . 1 . . . . A 23 VAL CB . 36305 1 289 . 1 . 1 23 23 VAL CG1 C 13 20.485 0.300 . 2 . . . . A 23 VAL CG1 . 36305 1 290 . 1 . 1 23 23 VAL CG2 C 13 21.611 0.300 . 2 . . . . A 23 VAL CG2 . 36305 1 291 . 1 . 1 23 23 VAL N N 15 117.535 0.300 . 1 . . . . A 23 VAL N . 36305 1 292 . 1 . 1 24 24 GLU H H 1 8.354 0.030 . 1 . . . . A 24 GLU H . 36305 1 293 . 1 . 1 24 24 GLU HA H 1 4.518 0.030 . 1 . . . . A 24 GLU HA . 36305 1 294 . 1 . 1 24 24 GLU HB2 H 1 2.033 0.030 . 1 . . . . A 24 GLU HB2 . 36305 1 295 . 1 . 1 24 24 GLU HB3 H 1 2.033 0.030 . 1 . . . . A 24 GLU HB3 . 36305 1 296 . 1 . 1 24 24 GLU HG2 H 1 2.334 0.030 . 1 . . . . A 24 GLU HG2 . 36305 1 297 . 1 . 1 24 24 GLU HG3 H 1 2.334 0.030 . 1 . . . . A 24 GLU HG3 . 36305 1 298 . 1 . 1 24 24 GLU C C 13 174.837 0.300 . 1 . . . . A 24 GLU C . 36305 1 299 . 1 . 1 24 24 GLU CA C 13 56.029 0.300 . 1 . . . . A 24 GLU CA . 36305 1 300 . 1 . 1 24 24 GLU CB C 13 30.653 0.300 . 1 . . . . A 24 GLU CB . 36305 1 301 . 1 . 1 24 24 GLU CG C 13 36.144 0.300 . 1 . . . . A 24 GLU CG . 36305 1 302 . 1 . 1 24 24 GLU N N 15 124.755 0.300 . 1 . . . . A 24 GLU N . 36305 1 303 . 1 . 1 25 25 VAL H H 1 8.590 0.030 . 1 . . . . A 25 VAL H . 36305 1 304 . 1 . 1 25 25 VAL HA H 1 5.436 0.030 . 1 . . . . A 25 VAL HA . 36305 1 305 . 1 . 1 25 25 VAL HB H 1 1.802 0.030 . 1 . . . . A 25 VAL HB . 36305 1 306 . 1 . 1 25 25 VAL HG11 H 1 0.945 0.030 . 2 . . . . A 25 VAL HG11 . 36305 1 307 . 1 . 1 25 25 VAL HG12 H 1 0.945 0.030 . 2 . . . . A 25 VAL HG12 . 36305 1 308 . 1 . 1 25 25 VAL HG13 H 1 0.945 0.030 . 2 . . . . A 25 VAL HG13 . 36305 1 309 . 1 . 1 25 25 VAL HG21 H 1 0.919 0.030 . 2 . . . . A 25 VAL HG21 . 36305 1 310 . 1 . 1 25 25 VAL HG22 H 1 0.919 0.030 . 2 . . . . A 25 VAL HG22 . 36305 1 311 . 1 . 1 25 25 VAL HG23 H 1 0.919 0.030 . 2 . . . . A 25 VAL HG23 . 36305 1 312 . 1 . 1 25 25 VAL C C 13 175.760 0.300 . 1 . . . . A 25 VAL C . 36305 1 313 . 1 . 1 25 25 VAL CA C 13 59.998 0.300 . 1 . . . . A 25 VAL CA . 36305 1 314 . 1 . 1 25 25 VAL CB C 13 33.798 0.300 . 1 . . . . A 25 VAL CB . 36305 1 315 . 1 . 1 25 25 VAL CG1 C 13 22.828 0.300 . 2 . . . . A 25 VAL CG1 . 36305 1 316 . 1 . 1 25 25 VAL CG2 C 13 22.559 0.300 . 2 . . . . A 25 VAL CG2 . 36305 1 317 . 1 . 1 25 25 VAL N N 15 124.354 0.300 . 1 . . . . A 25 VAL N . 36305 1 318 . 1 . 1 26 26 ARG H H 1 9.175 0.030 . 1 . . . . A 26 ARG H . 36305 1 319 . 1 . 1 26 26 ARG HA H 1 4.851 0.030 . 1 . . . . A 26 ARG HA . 36305 1 320 . 1 . 1 26 26 ARG HB2 H 1 1.777 0.030 . 1 . . . . A 26 ARG HB2 . 36305 1 321 . 1 . 1 26 26 ARG HB3 H 1 1.777 0.030 . 1 . . . . A 26 ARG HB3 . 36305 1 322 . 1 . 1 26 26 ARG HD2 H 1 3.138 0.030 . 1 . . . . A 26 ARG HD2 . 36305 1 323 . 1 . 1 26 26 ARG HD3 H 1 3.138 0.030 . 1 . . . . A 26 ARG HD3 . 36305 1 324 . 1 . 1 26 26 ARG HG2 H 1 1.469 0.030 . 2 . . . . A 26 ARG HG2 . 36305 1 325 . 1 . 1 26 26 ARG HG3 H 1 1.427 0.030 . 2 . . . . A 26 ARG HG3 . 36305 1 326 . 1 . 1 26 26 ARG C C 13 174.201 0.300 . 1 . . . . A 26 ARG C . 36305 1 327 . 1 . 1 26 26 ARG CA C 13 52.577 0.300 . 1 . . . . A 26 ARG CA . 36305 1 328 . 1 . 1 26 26 ARG CB C 13 33.418 0.300 . 1 . . . . A 26 ARG CB . 36305 1 329 . 1 . 1 26 26 ARG CD C 13 42.026 0.300 . 1 . . . . A 26 ARG CD . 36305 1 330 . 1 . 1 26 26 ARG CG C 13 27.102 0.300 . 1 . . . . A 26 ARG CG . 36305 1 331 . 1 . 1 26 26 ARG N N 15 126.560 0.300 . 1 . . . . A 26 ARG N . 36305 1 332 . 1 . 1 27 27 VAL H H 1 8.694 0.030 . 1 . . . . A 27 VAL H . 36305 1 333 . 1 . 1 27 27 VAL HA H 1 4.312 0.030 . 1 . . . . A 27 VAL HA . 36305 1 334 . 1 . 1 27 27 VAL HB H 1 1.922 0.030 . 1 . . . . A 27 VAL HB . 36305 1 335 . 1 . 1 27 27 VAL HG11 H 1 0.691 0.030 . 2 . . . . A 27 VAL HG11 . 36305 1 336 . 1 . 1 27 27 VAL HG12 H 1 0.691 0.030 . 2 . . . . A 27 VAL HG12 . 36305 1 337 . 1 . 1 27 27 VAL HG13 H 1 0.691 0.030 . 2 . . . . A 27 VAL HG13 . 36305 1 338 . 1 . 1 27 27 VAL HG21 H 1 0.718 0.030 . 2 . . . . A 27 VAL HG21 . 36305 1 339 . 1 . 1 27 27 VAL HG22 H 1 0.718 0.030 . 2 . . . . A 27 VAL HG22 . 36305 1 340 . 1 . 1 27 27 VAL HG23 H 1 0.718 0.030 . 2 . . . . A 27 VAL HG23 . 36305 1 341 . 1 . 1 27 27 VAL C C 13 176.167 0.300 . 1 . . . . A 27 VAL C . 36305 1 342 . 1 . 1 27 27 VAL CA C 13 61.532 0.300 . 1 . . . . A 27 VAL CA . 36305 1 343 . 1 . 1 27 27 VAL CB C 13 32.178 0.300 . 1 . . . . A 27 VAL CB . 36305 1 344 . 1 . 1 27 27 VAL CG1 C 13 21.028 0.300 . 2 . . . . A 27 VAL CG1 . 36305 1 345 . 1 . 1 27 27 VAL CG2 C 13 22.123 0.300 . 2 . . . . A 27 VAL CG2 . 36305 1 346 . 1 . 1 27 27 VAL N N 15 123.971 0.300 . 1 . . . . A 27 VAL N . 36305 1 347 . 1 . 1 28 28 VAL H H 1 8.759 0.030 . 1 . . . . A 28 VAL H . 36305 1 348 . 1 . 1 28 28 VAL HA H 1 4.516 0.030 . 1 . . . . A 28 VAL HA . 36305 1 349 . 1 . 1 28 28 VAL HB H 1 1.908 0.030 . 1 . . . . A 28 VAL HB . 36305 1 350 . 1 . 1 28 28 VAL HG11 H 1 0.768 0.030 . 2 . . . . A 28 VAL HG11 . 36305 1 351 . 1 . 1 28 28 VAL HG12 H 1 0.768 0.030 . 2 . . . . A 28 VAL HG12 . 36305 1 352 . 1 . 1 28 28 VAL HG13 H 1 0.768 0.030 . 2 . . . . A 28 VAL HG13 . 36305 1 353 . 1 . 1 28 28 VAL HG21 H 1 0.837 0.030 . 2 . . . . A 28 VAL HG21 . 36305 1 354 . 1 . 1 28 28 VAL HG22 H 1 0.837 0.030 . 2 . . . . A 28 VAL HG22 . 36305 1 355 . 1 . 1 28 28 VAL HG23 H 1 0.837 0.030 . 2 . . . . A 28 VAL HG23 . 36305 1 356 . 1 . 1 28 28 VAL C C 13 174.192 0.300 . 1 . . . . A 28 VAL C . 36305 1 357 . 1 . 1 28 28 VAL CA C 13 60.510 0.300 . 1 . . . . A 28 VAL CA . 36305 1 358 . 1 . 1 28 28 VAL CB C 13 34.397 0.300 . 1 . . . . A 28 VAL CB . 36305 1 359 . 1 . 1 28 28 VAL CG1 C 13 21.852 0.300 . 2 . . . . A 28 VAL CG1 . 36305 1 360 . 1 . 1 28 28 VAL CG2 C 13 21.919 0.300 . 2 . . . . A 28 VAL CG2 . 36305 1 361 . 1 . 1 28 28 VAL N N 15 125.784 0.300 . 1 . . . . A 28 VAL N . 36305 1 362 . 1 . 1 29 29 THR H H 1 9.558 0.030 . 1 . . . . A 29 THR H . 36305 1 363 . 1 . 1 29 29 THR HA H 1 4.662 0.030 . 1 . . . . A 29 THR HA . 36305 1 364 . 1 . 1 29 29 THR HB H 1 4.327 0.030 . 1 . . . . A 29 THR HB . 36305 1 365 . 1 . 1 29 29 THR HG1 H 1 8.068 0.030 . 1 . . . . A 29 THR HG1 . 36305 1 366 . 1 . 1 29 29 THR HG21 H 1 1.272 0.030 . 1 . . . . A 29 THR HG21 . 36305 1 367 . 1 . 1 29 29 THR HG22 H 1 1.272 0.030 . 1 . . . . A 29 THR HG22 . 36305 1 368 . 1 . 1 29 29 THR HG23 H 1 1.272 0.030 . 1 . . . . A 29 THR HG23 . 36305 1 369 . 1 . 1 29 29 THR C C 13 175.159 0.300 . 1 . . . . A 29 THR C . 36305 1 370 . 1 . 1 29 29 THR CA C 13 62.757 0.300 . 1 . . . . A 29 THR CA . 36305 1 371 . 1 . 1 29 29 THR CB C 13 70.575 0.300 . 1 . . . . A 29 THR CB . 36305 1 372 . 1 . 1 29 29 THR CG2 C 13 22.108 0.300 . 1 . . . . A 29 THR CG2 . 36305 1 373 . 1 . 1 29 29 THR N N 15 117.024 0.300 . 1 . . . . A 29 THR N . 36305 1 374 . 1 . 1 30 30 THR H H 1 8.063 0.030 . 1 . . . . A 30 THR H . 36305 1 375 . 1 . 1 30 30 THR HA H 1 4.830 0.030 . 1 . . . . A 30 THR HA . 36305 1 376 . 1 . 1 30 30 THR HB H 1 4.726 0.030 . 1 . . . . A 30 THR HB . 36305 1 377 . 1 . 1 30 30 THR HG21 H 1 1.330 0.030 . 1 . . . . A 30 THR HG21 . 36305 1 378 . 1 . 1 30 30 THR HG22 H 1 1.330 0.030 . 1 . . . . A 30 THR HG22 . 36305 1 379 . 1 . 1 30 30 THR HG23 H 1 1.330 0.030 . 1 . . . . A 30 THR HG23 . 36305 1 380 . 1 . 1 30 30 THR C C 13 175.536 0.300 . 1 . . . . A 30 THR C . 36305 1 381 . 1 . 1 30 30 THR CA C 13 59.734 0.300 . 1 . . . . A 30 THR CA . 36305 1 382 . 1 . 1 30 30 THR CB C 13 73.292 0.300 . 1 . . . . A 30 THR CB . 36305 1 383 . 1 . 1 30 30 THR CG2 C 13 21.620 0.300 . 1 . . . . A 30 THR CG2 . 36305 1 384 . 1 . 1 30 30 THR N N 15 112.211 0.300 . 1 . . . . A 30 THR N . 36305 1 385 . 1 . 1 31 31 GLU H H 1 9.107 0.030 . 1 . . . . A 31 GLU H . 36305 1 386 . 1 . 1 31 31 GLU HA H 1 3.973 0.030 . 1 . . . . A 31 GLU HA . 36305 1 387 . 1 . 1 31 31 GLU HB2 H 1 2.095 0.030 . 1 . . . . A 31 GLU HB2 . 36305 1 388 . 1 . 1 31 31 GLU HB3 H 1 2.095 0.030 . 1 . . . . A 31 GLU HB3 . 36305 1 389 . 1 . 1 31 31 GLU HG2 H 1 2.265 0.030 . 1 . . . . A 31 GLU HG2 . 36305 1 390 . 1 . 1 31 31 GLU HG3 H 1 2.265 0.030 . 1 . . . . A 31 GLU HG3 . 36305 1 391 . 1 . 1 31 31 GLU C C 13 178.703 0.300 . 1 . . . . A 31 GLU C . 36305 1 392 . 1 . 1 31 31 GLU CA C 13 59.853 0.300 . 1 . . . . A 31 GLU CA . 36305 1 393 . 1 . 1 31 31 GLU CB C 13 29.574 0.300 . 1 . . . . A 31 GLU CB . 36305 1 394 . 1 . 1 31 31 GLU CG C 13 36.948 0.300 . 1 . . . . A 31 GLU CG . 36305 1 395 . 1 . 1 31 31 GLU N N 15 121.513 0.300 . 1 . . . . A 31 GLU N . 36305 1 396 . 1 . 1 32 32 GLU H H 1 8.389 0.030 . 1 . . . . A 32 GLU H . 36305 1 397 . 1 . 1 32 32 GLU HA H 1 4.076 0.030 . 1 . . . . A 32 GLU HA . 36305 1 398 . 1 . 1 32 32 GLU HB2 H 1 2.101 0.030 . 2 . . . . A 32 GLU HB2 . 36305 1 399 . 1 . 1 32 32 GLU HB3 H 1 2.017 0.030 . 2 . . . . A 32 GLU HB3 . 36305 1 400 . 1 . 1 32 32 GLU C C 13 179.035 0.300 . 1 . . . . A 32 GLU C . 36305 1 401 . 1 . 1 32 32 GLU CA C 13 59.631 0.300 . 1 . . . . A 32 GLU CA . 36305 1 402 . 1 . 1 32 32 GLU CB C 13 29.006 0.300 . 1 . . . . A 32 GLU CB . 36305 1 403 . 1 . 1 32 32 GLU CG C 13 36.267 0.300 . 1 . . . . A 32 GLU CG . 36305 1 404 . 1 . 1 32 32 GLU N N 15 119.695 0.300 . 1 . . . . A 32 GLU N . 36305 1 405 . 1 . 1 33 33 ASP H H 1 7.972 0.030 . 1 . . . . A 33 ASP H . 36305 1 406 . 1 . 1 33 33 ASP HA H 1 4.476 0.030 . 1 . . . . A 33 ASP HA . 36305 1 407 . 1 . 1 33 33 ASP HB2 H 1 2.964 0.030 . 2 . . . . A 33 ASP HB2 . 36305 1 408 . 1 . 1 33 33 ASP HB3 H 1 3.146 0.030 . 2 . . . . A 33 ASP HB3 . 36305 1 409 . 1 . 1 33 33 ASP C C 13 178.701 0.300 . 1 . . . . A 33 ASP C . 36305 1 410 . 1 . 1 33 33 ASP CA C 13 56.974 0.300 . 1 . . . . A 33 ASP CA . 36305 1 411 . 1 . 1 33 33 ASP CB C 13 41.790 0.300 . 1 . . . . A 33 ASP CB . 36305 1 412 . 1 . 1 33 33 ASP N N 15 119.702 0.300 . 1 . . . . A 33 ASP N . 36305 1 413 . 1 . 1 34 34 ALA H H 1 7.848 0.030 . 1 . . . . A 34 ALA H . 36305 1 414 . 1 . 1 34 34 ALA HA H 1 3.863 0.030 . 1 . . . . A 34 ALA HA . 36305 1 415 . 1 . 1 34 34 ALA HB1 H 1 1.438 0.030 . 1 . . . . A 34 ALA HB1 . 36305 1 416 . 1 . 1 34 34 ALA HB2 H 1 1.438 0.030 . 1 . . . . A 34 ALA HB2 . 36305 1 417 . 1 . 1 34 34 ALA HB3 H 1 1.438 0.030 . 1 . . . . A 34 ALA HB3 . 36305 1 418 . 1 . 1 34 34 ALA C C 13 178.577 0.300 . 1 . . . . A 34 ALA C . 36305 1 419 . 1 . 1 34 34 ALA CA C 13 55.365 0.300 . 1 . . . . A 34 ALA CA . 36305 1 420 . 1 . 1 34 34 ALA CB C 13 18.041 0.300 . 1 . . . . A 34 ALA CB . 36305 1 421 . 1 . 1 34 34 ALA N N 15 121.578 0.300 . 1 . . . . A 34 ALA N . 36305 1 422 . 1 . 1 35 35 LYS H H 1 7.987 0.030 . 1 . . . . A 35 LYS H . 36305 1 423 . 1 . 1 35 35 LYS HA H 1 3.866 0.030 . 1 . . . . A 35 LYS HA . 36305 1 424 . 1 . 1 35 35 LYS HB2 H 1 1.966 0.030 . 1 . . . . A 35 LYS HB2 . 36305 1 425 . 1 . 1 35 35 LYS HB3 H 1 1.966 0.030 . 1 . . . . A 35 LYS HB3 . 36305 1 426 . 1 . 1 35 35 LYS HG2 H 1 1.439 0.030 . 1 . . . . A 35 LYS HG2 . 36305 1 427 . 1 . 1 35 35 LYS HG3 H 1 1.439 0.030 . 1 . . . . A 35 LYS HG3 . 36305 1 428 . 1 . 1 35 35 LYS C C 13 179.126 0.300 . 1 . . . . A 35 LYS C . 36305 1 429 . 1 . 1 35 35 LYS CA C 13 59.991 0.300 . 1 . . . . A 35 LYS CA . 36305 1 430 . 1 . 1 35 35 LYS CB C 13 32.400 0.300 . 1 . . . . A 35 LYS CB . 36305 1 431 . 1 . 1 35 35 LYS CD C 13 29.658 0.300 . 1 . . . . A 35 LYS CD . 36305 1 432 . 1 . 1 35 35 LYS CE C 13 42.044 0.300 . 1 . . . . A 35 LYS CE . 36305 1 433 . 1 . 1 35 35 LYS CG C 13 25.466 0.300 . 1 . . . . A 35 LYS CG . 36305 1 434 . 1 . 1 35 35 LYS N N 15 117.187 0.300 . 1 . . . . A 35 LYS N . 36305 1 435 . 1 . 1 36 36 GLN H H 1 7.850 0.030 . 1 . . . . A 36 GLN H . 36305 1 436 . 1 . 1 36 36 GLN HA H 1 4.114 0.030 . 1 . . . . A 36 GLN HA . 36305 1 437 . 1 . 1 36 36 GLN HB2 H 1 2.276 0.030 . 1 . . . . A 36 GLN HB2 . 36305 1 438 . 1 . 1 36 36 GLN HB3 H 1 2.276 0.030 . 1 . . . . A 36 GLN HB3 . 36305 1 439 . 1 . 1 36 36 GLN HE21 H 1 6.879 0.030 . 2 . . . . A 36 GLN HE21 . 36305 1 440 . 1 . 1 36 36 GLN HE22 H 1 7.689 0.030 . 2 . . . . A 36 GLN HE22 . 36305 1 441 . 1 . 1 36 36 GLN HG2 H 1 2.585 0.030 . 1 . . . . A 36 GLN HG2 . 36305 1 442 . 1 . 1 36 36 GLN HG3 H 1 2.585 0.030 . 1 . . . . A 36 GLN HG3 . 36305 1 443 . 1 . 1 36 36 GLN C C 13 178.960 0.300 . 1 . . . . A 36 GLN C . 36305 1 444 . 1 . 1 36 36 GLN CA C 13 58.616 0.300 . 1 . . . . A 36 GLN CA . 36305 1 445 . 1 . 1 36 36 GLN CB C 13 28.072 0.300 . 1 . . . . A 36 GLN CB . 36305 1 446 . 1 . 1 36 36 GLN CG C 13 33.549 0.300 . 1 . . . . A 36 GLN CG . 36305 1 447 . 1 . 1 36 36 GLN N N 15 117.803 0.300 . 1 . . . . A 36 GLN N . 36305 1 448 . 1 . 1 36 36 GLN NE2 N 15 112.182 0.300 . 1 . . . . A 36 GLN NE2 . 36305 1 449 . 1 . 1 37 37 VAL H H 1 7.992 0.030 . 1 . . . . A 37 VAL H . 36305 1 450 . 1 . 1 37 37 VAL HA H 1 3.761 0.030 . 1 . . . . A 37 VAL HA . 36305 1 451 . 1 . 1 37 37 VAL HB H 1 2.152 0.030 . 1 . . . . A 37 VAL HB . 36305 1 452 . 1 . 1 37 37 VAL HG11 H 1 0.792 0.030 . 2 . . . . A 37 VAL HG11 . 36305 1 453 . 1 . 1 37 37 VAL HG12 H 1 0.792 0.030 . 2 . . . . A 37 VAL HG12 . 36305 1 454 . 1 . 1 37 37 VAL HG13 H 1 0.792 0.030 . 2 . . . . A 37 VAL HG13 . 36305 1 455 . 1 . 1 37 37 VAL HG21 H 1 0.977 0.030 . 2 . . . . A 37 VAL HG21 . 36305 1 456 . 1 . 1 37 37 VAL HG22 H 1 0.977 0.030 . 2 . . . . A 37 VAL HG22 . 36305 1 457 . 1 . 1 37 37 VAL HG23 H 1 0.977 0.030 . 2 . . . . A 37 VAL HG23 . 36305 1 458 . 1 . 1 37 37 VAL C C 13 177.275 0.300 . 1 . . . . A 37 VAL C . 36305 1 459 . 1 . 1 37 37 VAL CA C 13 66.584 0.300 . 1 . . . . A 37 VAL CA . 36305 1 460 . 1 . 1 37 37 VAL CB C 13 31.280 0.300 . 1 . . . . A 37 VAL CB . 36305 1 461 . 1 . 1 37 37 VAL CG1 C 13 21.026 0.300 . 2 . . . . A 37 VAL CG1 . 36305 1 462 . 1 . 1 37 37 VAL CG2 C 13 23.910 0.300 . 2 . . . . A 37 VAL CG2 . 36305 1 463 . 1 . 1 37 37 VAL N N 15 120.321 0.300 . 1 . . . . A 37 VAL N . 36305 1 464 . 1 . 1 38 38 VAL H H 1 7.947 0.030 . 1 . . . . A 38 VAL H . 36305 1 465 . 1 . 1 38 38 VAL HA H 1 3.397 0.030 . 1 . . . . A 38 VAL HA . 36305 1 466 . 1 . 1 38 38 VAL HB H 1 2.170 0.030 . 1 . . . . A 38 VAL HB . 36305 1 467 . 1 . 1 38 38 VAL HG11 H 1 0.876 0.030 . 2 . . . . A 38 VAL HG11 . 36305 1 468 . 1 . 1 38 38 VAL HG12 H 1 0.876 0.030 . 2 . . . . A 38 VAL HG12 . 36305 1 469 . 1 . 1 38 38 VAL HG13 H 1 0.876 0.030 . 2 . . . . A 38 VAL HG13 . 36305 1 470 . 1 . 1 38 38 VAL HG21 H 1 1.016 0.030 . 2 . . . . A 38 VAL HG21 . 36305 1 471 . 1 . 1 38 38 VAL HG22 H 1 1.016 0.030 . 2 . . . . A 38 VAL HG22 . 36305 1 472 . 1 . 1 38 38 VAL HG23 H 1 1.016 0.030 . 2 . . . . A 38 VAL HG23 . 36305 1 473 . 1 . 1 38 38 VAL C C 13 177.164 0.300 . 1 . . . . A 38 VAL C . 36305 1 474 . 1 . 1 38 38 VAL CA C 13 67.567 0.300 . 1 . . . . A 38 VAL CA . 36305 1 475 . 1 . 1 38 38 VAL CB C 13 31.331 0.300 . 1 . . . . A 38 VAL CB . 36305 1 476 . 1 . 1 38 38 VAL CG1 C 13 21.739 0.300 . 2 . . . . A 38 VAL CG1 . 36305 1 477 . 1 . 1 38 38 VAL CG2 C 13 23.851 0.300 . 2 . . . . A 38 VAL CG2 . 36305 1 478 . 1 . 1 38 38 VAL N N 15 119.117 0.300 . 1 . . . . A 38 VAL N . 36305 1 479 . 1 . 1 39 39 LYS H H 1 7.569 0.030 . 1 . . . . A 39 LYS H . 36305 1 480 . 1 . 1 39 39 LYS HA H 1 4.101 0.030 . 1 . . . . A 39 LYS HA . 36305 1 481 . 1 . 1 39 39 LYS HB2 H 1 1.955 0.030 . 1 . . . . A 39 LYS HB2 . 36305 1 482 . 1 . 1 39 39 LYS HB3 H 1 1.955 0.030 . 1 . . . . A 39 LYS HB3 . 36305 1 483 . 1 . 1 39 39 LYS HG2 H 1 1.643 0.030 . 1 . . . . A 39 LYS HG2 . 36305 1 484 . 1 . 1 39 39 LYS HG3 H 1 1.643 0.030 . 1 . . . . A 39 LYS HG3 . 36305 1 485 . 1 . 1 39 39 LYS C C 13 178.911 0.300 . 1 . . . . A 39 LYS C . 36305 1 486 . 1 . 1 39 39 LYS CA C 13 59.551 0.300 . 1 . . . . A 39 LYS CA . 36305 1 487 . 1 . 1 39 39 LYS CB C 13 32.233 0.300 . 1 . . . . A 39 LYS CB . 36305 1 488 . 1 . 1 39 39 LYS CG C 13 25.197 0.300 . 1 . . . . A 39 LYS CG . 36305 1 489 . 1 . 1 39 39 LYS N N 15 117.893 0.300 . 1 . . . . A 39 LYS N . 36305 1 490 . 1 . 1 40 40 GLU H H 1 7.974 0.030 . 1 . . . . A 40 GLU H . 36305 1 491 . 1 . 1 40 40 GLU HA H 1 4.094 0.030 . 1 . . . . A 40 GLU HA . 36305 1 492 . 1 . 1 40 40 GLU HB2 H 1 2.171 0.030 . 1 . . . . A 40 GLU HB2 . 36305 1 493 . 1 . 1 40 40 GLU HB3 H 1 2.171 0.030 . 1 . . . . A 40 GLU HB3 . 36305 1 494 . 1 . 1 40 40 GLU HG2 H 1 2.375 0.030 . 1 . . . . A 40 GLU HG2 . 36305 1 495 . 1 . 1 40 40 GLU HG3 H 1 2.375 0.030 . 1 . . . . A 40 GLU HG3 . 36305 1 496 . 1 . 1 40 40 GLU C C 13 179.093 0.300 . 1 . . . . A 40 GLU C . 36305 1 497 . 1 . 1 40 40 GLU CA C 13 59.528 0.300 . 1 . . . . A 40 GLU CA . 36305 1 498 . 1 . 1 40 40 GLU CB C 13 29.628 0.300 . 1 . . . . A 40 GLU CB . 36305 1 499 . 1 . 1 40 40 GLU CG C 13 36.057 0.300 . 1 . . . . A 40 GLU CG . 36305 1 500 . 1 . 1 40 40 GLU N N 15 119.628 0.300 . 1 . . . . A 40 GLU N . 36305 1 501 . 1 . 1 41 41 VAL H H 1 8.479 0.030 . 1 . . . . A 41 VAL H . 36305 1 502 . 1 . 1 41 41 VAL HA H 1 3.749 0.030 . 1 . . . . A 41 VAL HA . 36305 1 503 . 1 . 1 41 41 VAL HB H 1 2.299 0.030 . 1 . . . . A 41 VAL HB . 36305 1 504 . 1 . 1 41 41 VAL HG11 H 1 0.923 0.030 . 2 . . . . A 41 VAL HG11 . 36305 1 505 . 1 . 1 41 41 VAL HG12 H 1 0.923 0.030 . 2 . . . . A 41 VAL HG12 . 36305 1 506 . 1 . 1 41 41 VAL HG13 H 1 0.923 0.030 . 2 . . . . A 41 VAL HG13 . 36305 1 507 . 1 . 1 41 41 VAL HG21 H 1 0.927 0.030 . 2 . . . . A 41 VAL HG21 . 36305 1 508 . 1 . 1 41 41 VAL HG22 H 1 0.927 0.030 . 2 . . . . A 41 VAL HG22 . 36305 1 509 . 1 . 1 41 41 VAL HG23 H 1 0.927 0.030 . 2 . . . . A 41 VAL HG23 . 36305 1 510 . 1 . 1 41 41 VAL C C 13 178.140 0.300 . 1 . . . . A 41 VAL C . 36305 1 511 . 1 . 1 41 41 VAL CA C 13 65.470 0.300 . 1 . . . . A 41 VAL CA . 36305 1 512 . 1 . 1 41 41 VAL CB C 13 31.047 0.300 . 1 . . . . A 41 VAL CB . 36305 1 513 . 1 . 1 41 41 VAL CG1 C 13 21.513 0.300 . 2 . . . . A 41 VAL CG1 . 36305 1 514 . 1 . 1 41 41 VAL CG2 C 13 21.253 0.300 . 2 . . . . A 41 VAL CG2 . 36305 1 515 . 1 . 1 41 41 VAL N N 15 116.183 0.300 . 1 . . . . A 41 VAL N . 36305 1 516 . 1 . 1 42 42 GLN H H 1 7.955 0.030 . 1 . . . . A 42 GLN H . 36305 1 517 . 1 . 1 42 42 GLN HA H 1 4.195 0.030 . 1 . . . . A 42 GLN HA . 36305 1 518 . 1 . 1 42 42 GLN HB2 H 1 2.274 0.030 . 2 . . . . A 42 GLN HB2 . 36305 1 519 . 1 . 1 42 42 GLN HB3 H 1 2.161 0.030 . 2 . . . . A 42 GLN HB3 . 36305 1 520 . 1 . 1 42 42 GLN HG2 H 1 2.158 0.030 . 2 . . . . A 42 GLN HG2 . 36305 1 521 . 1 . 1 42 42 GLN HG3 H 1 2.278 0.030 . 2 . . . . A 42 GLN HG3 . 36305 1 522 . 1 . 1 42 42 GLN C C 13 178.723 0.300 . 1 . . . . A 42 GLN C . 36305 1 523 . 1 . 1 42 42 GLN CA C 13 58.487 0.300 . 1 . . . . A 42 GLN CA . 36305 1 524 . 1 . 1 42 42 GLN CB C 13 28.899 0.300 . 1 . . . . A 42 GLN CB . 36305 1 525 . 1 . 1 42 42 GLN CG C 13 34.194 0.300 . 1 . . . . A 42 GLN CG . 36305 1 526 . 1 . 1 42 42 GLN N N 15 118.726 0.300 . 1 . . . . A 42 GLN N . 36305 1 527 . 1 . 1 43 43 LYS H H 1 7.971 0.030 . 1 . . . . A 43 LYS H . 36305 1 528 . 1 . 1 43 43 LYS HA H 1 4.197 0.030 . 1 . . . . A 43 LYS HA . 36305 1 529 . 1 . 1 43 43 LYS HB2 H 1 1.984 0.030 . 1 . . . . A 43 LYS HB2 . 36305 1 530 . 1 . 1 43 43 LYS HB3 H 1 1.984 0.030 . 1 . . . . A 43 LYS HB3 . 36305 1 531 . 1 . 1 43 43 LYS C C 13 178.157 0.300 . 1 . . . . A 43 LYS C . 36305 1 532 . 1 . 1 43 43 LYS CA C 13 58.410 0.300 . 1 . . . . A 43 LYS CA . 36305 1 533 . 1 . 1 43 43 LYS CB C 13 32.892 0.300 . 1 . . . . A 43 LYS CB . 36305 1 534 . 1 . 1 43 43 LYS CD C 13 29.172 0.300 . 1 . . . . A 43 LYS CD . 36305 1 535 . 1 . 1 43 43 LYS CG C 13 25.149 0.300 . 1 . . . . A 43 LYS CG . 36305 1 536 . 1 . 1 43 43 LYS N N 15 119.414 0.300 . 1 . . . . A 43 LYS N . 36305 1 537 . 1 . 1 44 44 LYS H H 1 8.009 0.030 . 1 . . . . A 44 LYS H . 36305 1 538 . 1 . 1 44 44 LYS HA H 1 4.396 0.030 . 1 . . . . A 44 LYS HA . 36305 1 539 . 1 . 1 44 44 LYS HB2 H 1 1.845 0.030 . 1 . . . . A 44 LYS HB2 . 36305 1 540 . 1 . 1 44 44 LYS HB3 H 1 1.845 0.030 . 1 . . . . A 44 LYS HB3 . 36305 1 541 . 1 . 1 44 44 LYS C C 13 177.145 0.300 . 1 . . . . A 44 LYS C . 36305 1 542 . 1 . 1 44 44 LYS CA C 13 56.400 0.300 . 1 . . . . A 44 LYS CA . 36305 1 543 . 1 . 1 44 44 LYS CB C 13 32.919 0.300 . 1 . . . . A 44 LYS CB . 36305 1 544 . 1 . 1 44 44 LYS CD C 13 29.153 0.300 . 1 . . . . A 44 LYS CD . 36305 1 545 . 1 . 1 44 44 LYS CG C 13 25.597 0.300 . 1 . . . . A 44 LYS CG . 36305 1 546 . 1 . 1 44 44 LYS N N 15 115.859 0.300 . 1 . . . . A 44 LYS N . 36305 1 547 . 1 . 1 45 45 GLY H H 1 7.914 0.030 . 1 . . . . A 45 GLY H . 36305 1 548 . 1 . 1 45 45 GLY HA2 H 1 3.926 0.030 . 2 . . . . A 45 GLY HA2 . 36305 1 549 . 1 . 1 45 45 GLY HA3 H 1 4.035 0.030 . 2 . . . . A 45 GLY HA3 . 36305 1 550 . 1 . 1 45 45 GLY C C 13 174.976 0.300 . 1 . . . . A 45 GLY C . 36305 1 551 . 1 . 1 45 45 GLY CA C 13 46.537 0.300 . 1 . . . . A 45 GLY CA . 36305 1 552 . 1 . 1 45 45 GLY N N 15 109.063 0.300 . 1 . . . . A 45 GLY N . 36305 1 553 . 1 . 1 46 46 VAL H H 1 7.591 0.030 . 1 . . . . A 46 VAL H . 36305 1 554 . 1 . 1 46 46 VAL HA H 1 3.789 0.030 . 1 . . . . A 46 VAL HA . 36305 1 555 . 1 . 1 46 46 VAL HB H 1 1.920 0.030 . 1 . . . . A 46 VAL HB . 36305 1 556 . 1 . 1 46 46 VAL HG11 H 1 0.913 0.030 . 2 . . . . A 46 VAL HG11 . 36305 1 557 . 1 . 1 46 46 VAL HG12 H 1 0.913 0.030 . 2 . . . . A 46 VAL HG12 . 36305 1 558 . 1 . 1 46 46 VAL HG13 H 1 0.913 0.030 . 2 . . . . A 46 VAL HG13 . 36305 1 559 . 1 . 1 46 46 VAL HG21 H 1 0.914 0.030 . 2 . . . . A 46 VAL HG21 . 36305 1 560 . 1 . 1 46 46 VAL HG22 H 1 0.914 0.030 . 2 . . . . A 46 VAL HG22 . 36305 1 561 . 1 . 1 46 46 VAL HG23 H 1 0.914 0.030 . 2 . . . . A 46 VAL HG23 . 36305 1 562 . 1 . 1 46 46 VAL C C 13 175.164 0.300 . 1 . . . . A 46 VAL C . 36305 1 563 . 1 . 1 46 46 VAL CA C 13 63.643 0.300 . 1 . . . . A 46 VAL CA . 36305 1 564 . 1 . 1 46 46 VAL CB C 13 32.413 0.300 . 1 . . . . A 46 VAL CB . 36305 1 565 . 1 . 1 46 46 VAL CG1 C 13 22.238 0.300 . 2 . . . . A 46 VAL CG1 . 36305 1 566 . 1 . 1 46 46 VAL CG2 C 13 22.346 0.300 . 2 . . . . A 46 VAL CG2 . 36305 1 567 . 1 . 1 46 46 VAL N N 15 120.553 0.300 . 1 . . . . A 46 VAL N . 36305 1 568 . 1 . 1 47 47 GLN H H 1 8.731 0.030 . 1 . . . . A 47 GLN H . 36305 1 569 . 1 . 1 47 47 GLN HA H 1 4.608 0.030 . 1 . . . . A 47 GLN HA . 36305 1 570 . 1 . 1 47 47 GLN HB2 H 1 2.010 0.030 . 2 . . . . A 47 GLN HB2 . 36305 1 571 . 1 . 1 47 47 GLN HB3 H 1 2.286 0.030 . 2 . . . . A 47 GLN HB3 . 36305 1 572 . 1 . 1 47 47 GLN HG2 H 1 2.508 0.030 . 1 . . . . A 47 GLN HG2 . 36305 1 573 . 1 . 1 47 47 GLN HG3 H 1 2.508 0.030 . 1 . . . . A 47 GLN HG3 . 36305 1 574 . 1 . 1 47 47 GLN C C 13 175.818 0.300 . 1 . . . . A 47 GLN C . 36305 1 575 . 1 . 1 47 47 GLN CA C 13 56.653 0.300 . 1 . . . . A 47 GLN CA . 36305 1 576 . 1 . 1 47 47 GLN CB C 13 31.408 0.300 . 1 . . . . A 47 GLN CB . 36305 1 577 . 1 . 1 47 47 GLN CG C 13 34.309 0.300 . 1 . . . . A 47 GLN CG . 36305 1 578 . 1 . 1 47 47 GLN N N 15 123.691 0.300 . 1 . . . . A 47 GLN N . 36305 1 579 . 1 . 1 48 48 LYS H H 1 7.673 0.030 . 1 . . . . A 48 LYS H . 36305 1 580 . 1 . 1 48 48 LYS HA H 1 5.181 0.030 . 1 . . . . A 48 LYS HA . 36305 1 581 . 1 . 1 48 48 LYS HB2 H 1 1.689 0.030 . 2 . . . . A 48 LYS HB2 . 36305 1 582 . 1 . 1 48 48 LYS HB3 H 1 1.816 0.030 . 2 . . . . A 48 LYS HB3 . 36305 1 583 . 1 . 1 48 48 LYS HD2 H 1 1.539 0.030 . 1 . . . . A 48 LYS HD2 . 36305 1 584 . 1 . 1 48 48 LYS HD3 H 1 1.539 0.030 . 1 . . . . A 48 LYS HD3 . 36305 1 585 . 1 . 1 48 48 LYS HG2 H 1 1.423 0.030 . 1 . . . . A 48 LYS HG2 . 36305 1 586 . 1 . 1 48 48 LYS HG3 H 1 1.423 0.030 . 1 . . . . A 48 LYS HG3 . 36305 1 587 . 1 . 1 48 48 LYS C C 13 173.396 0.300 . 1 . . . . A 48 LYS C . 36305 1 588 . 1 . 1 48 48 LYS CA C 13 55.474 0.300 . 1 . . . . A 48 LYS CA . 36305 1 589 . 1 . 1 48 48 LYS CB C 13 36.654 0.300 . 1 . . . . A 48 LYS CB . 36305 1 590 . 1 . 1 48 48 LYS CD C 13 30.036 0.300 . 1 . . . . A 48 LYS CD . 36305 1 591 . 1 . 1 48 48 LYS CE C 13 42.109 0.300 . 1 . . . . A 48 LYS CE . 36305 1 592 . 1 . 1 48 48 LYS CG C 13 25.392 0.300 . 1 . . . . A 48 LYS CG . 36305 1 593 . 1 . 1 48 48 LYS N N 15 118.313 0.300 . 1 . . . . A 48 LYS N . 36305 1 594 . 1 . 1 49 49 VAL H H 1 8.797 0.030 . 1 . . . . A 49 VAL H . 36305 1 595 . 1 . 1 49 49 VAL HA H 1 5.008 0.030 . 1 . . . . A 49 VAL HA . 36305 1 596 . 1 . 1 49 49 VAL HB H 1 1.863 0.030 . 1 . . . . A 49 VAL HB . 36305 1 597 . 1 . 1 49 49 VAL HG11 H 1 0.752 0.030 . 2 . . . . A 49 VAL HG11 . 36305 1 598 . 1 . 1 49 49 VAL HG12 H 1 0.752 0.030 . 2 . . . . A 49 VAL HG12 . 36305 1 599 . 1 . 1 49 49 VAL HG13 H 1 0.752 0.030 . 2 . . . . A 49 VAL HG13 . 36305 1 600 . 1 . 1 49 49 VAL HG21 H 1 0.732 0.030 . 2 . . . . A 49 VAL HG21 . 36305 1 601 . 1 . 1 49 49 VAL HG22 H 1 0.732 0.030 . 2 . . . . A 49 VAL HG22 . 36305 1 602 . 1 . 1 49 49 VAL HG23 H 1 0.732 0.030 . 2 . . . . A 49 VAL HG23 . 36305 1 603 . 1 . 1 49 49 VAL C C 13 174.288 0.300 . 1 . . . . A 49 VAL C . 36305 1 604 . 1 . 1 49 49 VAL CA C 13 60.162 0.300 . 1 . . . . A 49 VAL CA . 36305 1 605 . 1 . 1 49 49 VAL CB C 13 34.511 0.300 . 1 . . . . A 49 VAL CB . 36305 1 606 . 1 . 1 49 49 VAL CG1 C 13 21.366 0.300 . 2 . . . . A 49 VAL CG1 . 36305 1 607 . 1 . 1 49 49 VAL CG2 C 13 22.203 0.300 . 2 . . . . A 49 VAL CG2 . 36305 1 608 . 1 . 1 49 49 VAL N N 15 122.447 0.300 . 1 . . . . A 49 VAL N . 36305 1 609 . 1 . 1 50 50 VAL H H 1 9.116 0.030 . 1 . . . . A 50 VAL H . 36305 1 610 . 1 . 1 50 50 VAL HA H 1 5.014 0.030 . 1 . . . . A 50 VAL HA . 36305 1 611 . 1 . 1 50 50 VAL HB H 1 1.971 0.030 . 1 . . . . A 50 VAL HB . 36305 1 612 . 1 . 1 50 50 VAL HG11 H 1 0.857 0.030 . 2 . . . . A 50 VAL HG11 . 36305 1 613 . 1 . 1 50 50 VAL HG12 H 1 0.857 0.030 . 2 . . . . A 50 VAL HG12 . 36305 1 614 . 1 . 1 50 50 VAL HG13 H 1 0.857 0.030 . 2 . . . . A 50 VAL HG13 . 36305 1 615 . 1 . 1 50 50 VAL HG21 H 1 0.769 0.030 . 2 . . . . A 50 VAL HG21 . 36305 1 616 . 1 . 1 50 50 VAL HG22 H 1 0.769 0.030 . 2 . . . . A 50 VAL HG22 . 36305 1 617 . 1 . 1 50 50 VAL HG23 H 1 0.769 0.030 . 2 . . . . A 50 VAL HG23 . 36305 1 618 . 1 . 1 50 50 VAL CA C 13 60.159 0.300 . 1 . . . . A 50 VAL CA . 36305 1 619 . 1 . 1 50 50 VAL CB C 13 33.668 0.300 . 1 . . . . A 50 VAL CB . 36305 1 620 . 1 . 1 50 50 VAL CG1 C 13 22.237 0.300 . 2 . . . . A 50 VAL CG1 . 36305 1 621 . 1 . 1 50 50 VAL CG2 C 13 22.077 0.300 . 2 . . . . A 50 VAL CG2 . 36305 1 622 . 1 . 1 50 50 VAL N N 15 128.250 0.300 . 1 . . . . A 50 VAL N . 36305 1 623 . 1 . 1 51 51 VAL H H 1 9.223 0.030 . 1 . . . . A 51 VAL H . 36305 1 624 . 1 . 1 51 51 VAL HA H 1 5.041 0.030 . 1 . . . . A 51 VAL HA . 36305 1 625 . 1 . 1 51 51 VAL HB H 1 1.946 0.030 . 1 . . . . A 51 VAL HB . 36305 1 626 . 1 . 1 51 51 VAL HG11 H 1 0.863 0.030 . 2 . . . . A 51 VAL HG11 . 36305 1 627 . 1 . 1 51 51 VAL HG12 H 1 0.863 0.030 . 2 . . . . A 51 VAL HG12 . 36305 1 628 . 1 . 1 51 51 VAL HG13 H 1 0.863 0.030 . 2 . . . . A 51 VAL HG13 . 36305 1 629 . 1 . 1 51 51 VAL HG21 H 1 0.756 0.030 . 2 . . . . A 51 VAL HG21 . 36305 1 630 . 1 . 1 51 51 VAL HG22 H 1 0.756 0.030 . 2 . . . . A 51 VAL HG22 . 36305 1 631 . 1 . 1 51 51 VAL HG23 H 1 0.756 0.030 . 2 . . . . A 51 VAL HG23 . 36305 1 632 . 1 . 1 51 51 VAL C C 13 174.273 0.300 . 1 . . . . A 51 VAL C . 36305 1 633 . 1 . 1 51 51 VAL CA C 13 59.640 0.300 . 1 . . . . A 51 VAL CA . 36305 1 634 . 1 . 1 51 51 VAL CB C 13 33.462 0.300 . 1 . . . . A 51 VAL CB . 36305 1 635 . 1 . 1 51 51 VAL CG1 C 13 20.433 0.300 . 2 . . . . A 51 VAL CG1 . 36305 1 636 . 1 . 1 51 51 VAL CG2 C 13 21.811 0.300 . 2 . . . . A 51 VAL CG2 . 36305 1 637 . 1 . 1 51 51 VAL N N 15 122.576 0.300 . 1 . . . . A 51 VAL N . 36305 1 638 . 1 . 1 52 52 VAL H H 1 8.645 0.030 . 1 . . . . A 52 VAL H . 36305 1 639 . 1 . 1 52 52 VAL HA H 1 4.508 0.030 . 1 . . . . A 52 VAL HA . 36305 1 640 . 1 . 1 52 52 VAL HB H 1 2.217 0.030 . 1 . . . . A 52 VAL HB . 36305 1 641 . 1 . 1 52 52 VAL HG11 H 1 0.625 0.030 . 2 . . . . A 52 VAL HG11 . 36305 1 642 . 1 . 1 52 52 VAL HG12 H 1 0.625 0.030 . 2 . . . . A 52 VAL HG12 . 36305 1 643 . 1 . 1 52 52 VAL HG13 H 1 0.625 0.030 . 2 . . . . A 52 VAL HG13 . 36305 1 644 . 1 . 1 52 52 VAL HG21 H 1 0.770 0.030 . 2 . . . . A 52 VAL HG21 . 36305 1 645 . 1 . 1 52 52 VAL HG22 H 1 0.770 0.030 . 2 . . . . A 52 VAL HG22 . 36305 1 646 . 1 . 1 52 52 VAL HG23 H 1 0.770 0.030 . 2 . . . . A 52 VAL HG23 . 36305 1 647 . 1 . 1 52 52 VAL C C 13 177.360 0.300 . 1 . . . . A 52 VAL C . 36305 1 648 . 1 . 1 52 52 VAL CA C 13 60.727 0.300 . 1 . . . . A 52 VAL CA . 36305 1 649 . 1 . 1 52 52 VAL CB C 13 32.265 0.300 . 1 . . . . A 52 VAL CB . 36305 1 650 . 1 . 1 52 52 VAL CG1 C 13 20.149 0.300 . 2 . . . . A 52 VAL CG1 . 36305 1 651 . 1 . 1 52 52 VAL CG2 C 13 20.845 0.300 . 2 . . . . A 52 VAL CG2 . 36305 1 652 . 1 . 1 52 52 VAL N N 15 125.038 0.300 . 1 . . . . A 52 VAL N . 36305 1 653 . 1 . 1 53 53 GLY H H 1 8.931 0.030 . 1 . . . . A 53 GLY H . 36305 1 654 . 1 . 1 53 53 GLY HA2 H 1 3.829 0.030 . 2 . . . . A 53 GLY HA2 . 36305 1 655 . 1 . 1 53 53 GLY HA3 H 1 4.140 0.030 . 2 . . . . A 53 GLY HA3 . 36305 1 656 . 1 . 1 53 53 GLY C C 13 173.912 0.300 . 1 . . . . A 53 GLY C . 36305 1 657 . 1 . 1 53 53 GLY CA C 13 46.539 0.300 . 1 . . . . A 53 GLY CA . 36305 1 658 . 1 . 1 53 53 GLY N N 15 114.520 0.300 . 1 . . . . A 53 GLY N . 36305 1 659 . 1 . 1 54 54 VAL H H 1 6.864 0.030 . 1 . . . . A 54 VAL H . 36305 1 660 . 1 . 1 54 54 VAL HA H 1 4.051 0.030 . 1 . . . . A 54 VAL HA . 36305 1 661 . 1 . 1 54 54 VAL HB H 1 1.760 0.030 . 1 . . . . A 54 VAL HB . 36305 1 662 . 1 . 1 54 54 VAL HG11 H 1 0.800 0.030 . 2 . . . . A 54 VAL HG11 . 36305 1 663 . 1 . 1 54 54 VAL HG12 H 1 0.800 0.030 . 2 . . . . A 54 VAL HG12 . 36305 1 664 . 1 . 1 54 54 VAL HG13 H 1 0.800 0.030 . 2 . . . . A 54 VAL HG13 . 36305 1 665 . 1 . 1 54 54 VAL HG21 H 1 0.960 0.030 . 2 . . . . A 54 VAL HG21 . 36305 1 666 . 1 . 1 54 54 VAL HG22 H 1 0.960 0.030 . 2 . . . . A 54 VAL HG22 . 36305 1 667 . 1 . 1 54 54 VAL HG23 H 1 0.960 0.030 . 2 . . . . A 54 VAL HG23 . 36305 1 668 . 1 . 1 54 54 VAL C C 13 175.215 0.300 . 1 . . . . A 54 VAL C . 36305 1 669 . 1 . 1 54 54 VAL CA C 13 61.196 0.300 . 1 . . . . A 54 VAL CA . 36305 1 670 . 1 . 1 54 54 VAL CB C 13 33.048 0.300 . 1 . . . . A 54 VAL CB . 36305 1 671 . 1 . 1 54 54 VAL CG1 C 13 21.614 0.300 . 2 . . . . A 54 VAL CG1 . 36305 1 672 . 1 . 1 54 54 VAL CG2 C 13 21.649 0.300 . 2 . . . . A 54 VAL CG2 . 36305 1 673 . 1 . 1 54 54 VAL N N 15 116.799 0.300 . 1 . . . . A 54 VAL N . 36305 1 674 . 1 . 1 55 55 SER H H 1 8.657 0.030 . 1 . . . . A 55 SER H . 36305 1 675 . 1 . 1 55 55 SER HA H 1 4.357 0.030 . 1 . . . . A 55 SER HA . 36305 1 676 . 1 . 1 55 55 SER HB2 H 1 3.968 0.030 . 2 . . . . A 55 SER HB2 . 36305 1 677 . 1 . 1 55 55 SER HB3 H 1 4.230 0.030 . 2 . . . . A 55 SER HB3 . 36305 1 678 . 1 . 1 55 55 SER C C 13 175.349 0.300 . 1 . . . . A 55 SER C . 36305 1 679 . 1 . 1 55 55 SER CA C 13 58.394 0.300 . 1 . . . . A 55 SER CA . 36305 1 680 . 1 . 1 55 55 SER CB C 13 64.234 0.300 . 1 . . . . A 55 SER CB . 36305 1 681 . 1 . 1 55 55 SER N N 15 120.785 0.300 . 1 . . . . A 55 SER N . 36305 1 682 . 1 . 1 56 56 GLU H H 1 9.047 0.030 . 1 . . . . A 56 GLU H . 36305 1 683 . 1 . 1 56 56 GLU HA H 1 3.977 0.030 . 1 . . . . A 56 GLU HA . 36305 1 684 . 1 . 1 56 56 GLU HB2 H 1 2.062 0.030 . 1 . . . . A 56 GLU HB2 . 36305 1 685 . 1 . 1 56 56 GLU HB3 H 1 2.062 0.030 . 1 . . . . A 56 GLU HB3 . 36305 1 686 . 1 . 1 56 56 GLU HG2 H 1 2.350 0.030 . 1 . . . . A 56 GLU HG2 . 36305 1 687 . 1 . 1 56 56 GLU HG3 H 1 2.350 0.030 . 1 . . . . A 56 GLU HG3 . 36305 1 688 . 1 . 1 56 56 GLU CA C 13 59.088 0.300 . 1 . . . . A 56 GLU CA . 36305 1 689 . 1 . 1 56 56 GLU CB C 13 29.388 0.300 . 1 . . . . A 56 GLU CB . 36305 1 690 . 1 . 1 56 56 GLU CG C 13 35.645 0.300 . 1 . . . . A 56 GLU CG . 36305 1 691 . 1 . 1 56 56 GLU N N 15 124.799 0.300 . 1 . . . . A 56 GLU N . 36305 1 692 . 1 . 1 57 57 LYS H H 1 8.190 0.030 . 1 . . . . A 57 LYS H . 36305 1 693 . 1 . 1 57 57 LYS HA H 1 4.042 0.030 . 1 . . . . A 57 LYS HA . 36305 1 694 . 1 . 1 57 57 LYS HB2 H 1 1.793 0.030 . 2 . . . . A 57 LYS HB2 . 36305 1 695 . 1 . 1 57 57 LYS HB3 H 1 1.842 0.030 . 2 . . . . A 57 LYS HB3 . 36305 1 696 . 1 . 1 57 57 LYS HG2 H 1 1.520 0.030 . 2 . . . . A 57 LYS HG2 . 36305 1 697 . 1 . 1 57 57 LYS HG3 H 1 1.446 0.030 . 2 . . . . A 57 LYS HG3 . 36305 1 698 . 1 . 1 57 57 LYS C C 13 179.271 0.300 . 1 . . . . A 57 LYS C . 36305 1 699 . 1 . 1 57 57 LYS CA C 13 59.302 0.300 . 1 . . . . A 57 LYS CA . 36305 1 700 . 1 . 1 57 57 LYS CB C 13 32.331 0.300 . 1 . . . . A 57 LYS CB . 36305 1 701 . 1 . 1 57 57 LYS CG C 13 25.177 0.300 . 1 . . . . A 57 LYS CG . 36305 1 702 . 1 . 1 57 57 LYS N N 15 117.750 0.300 . 1 . . . . A 57 LYS N . 36305 1 703 . 1 . 1 58 58 VAL H H 1 7.379 0.030 . 1 . . . . A 58 VAL H . 36305 1 704 . 1 . 1 58 58 VAL HA H 1 3.590 0.030 . 1 . . . . A 58 VAL HA . 36305 1 705 . 1 . 1 58 58 VAL HB H 1 1.862 0.030 . 1 . . . . A 58 VAL HB . 36305 1 706 . 1 . 1 58 58 VAL HG11 H 1 0.728 0.030 . 2 . . . . A 58 VAL HG11 . 36305 1 707 . 1 . 1 58 58 VAL HG12 H 1 0.728 0.030 . 2 . . . . A 58 VAL HG12 . 36305 1 708 . 1 . 1 58 58 VAL HG13 H 1 0.728 0.030 . 2 . . . . A 58 VAL HG13 . 36305 1 709 . 1 . 1 58 58 VAL HG21 H 1 0.926 0.030 . 2 . . . . A 58 VAL HG21 . 36305 1 710 . 1 . 1 58 58 VAL HG22 H 1 0.926 0.030 . 2 . . . . A 58 VAL HG22 . 36305 1 711 . 1 . 1 58 58 VAL HG23 H 1 0.926 0.030 . 2 . . . . A 58 VAL HG23 . 36305 1 712 . 1 . 1 58 58 VAL C C 13 176.763 0.300 . 1 . . . . A 58 VAL C . 36305 1 713 . 1 . 1 58 58 VAL CA C 13 66.109 0.300 . 1 . . . . A 58 VAL CA . 36305 1 714 . 1 . 1 58 58 VAL CB C 13 31.517 0.300 . 1 . . . . A 58 VAL CB . 36305 1 715 . 1 . 1 58 58 VAL CG1 C 13 21.256 0.300 . 2 . . . . A 58 VAL CG1 . 36305 1 716 . 1 . 1 58 58 VAL CG2 C 13 23.017 0.300 . 2 . . . . A 58 VAL CG2 . 36305 1 717 . 1 . 1 58 58 VAL N N 15 119.030 0.300 . 1 . . . . A 58 VAL N . 36305 1 718 . 1 . 1 59 59 VAL H H 1 7.649 0.030 . 1 . . . . A 59 VAL H . 36305 1 719 . 1 . 1 59 59 VAL HA H 1 3.324 0.030 . 1 . . . . A 59 VAL HA . 36305 1 720 . 1 . 1 59 59 VAL HB H 1 2.163 0.030 . 1 . . . . A 59 VAL HB . 36305 1 721 . 1 . 1 59 59 VAL HG11 H 1 0.908 0.030 . 2 . . . . A 59 VAL HG11 . 36305 1 722 . 1 . 1 59 59 VAL HG12 H 1 0.908 0.030 . 2 . . . . A 59 VAL HG12 . 36305 1 723 . 1 . 1 59 59 VAL HG13 H 1 0.908 0.030 . 2 . . . . A 59 VAL HG13 . 36305 1 724 . 1 . 1 59 59 VAL HG21 H 1 0.903 0.030 . 2 . . . . A 59 VAL HG21 . 36305 1 725 . 1 . 1 59 59 VAL HG22 H 1 0.903 0.030 . 2 . . . . A 59 VAL HG22 . 36305 1 726 . 1 . 1 59 59 VAL HG23 H 1 0.903 0.030 . 2 . . . . A 59 VAL HG23 . 36305 1 727 . 1 . 1 59 59 VAL C C 13 177.249 0.300 . 1 . . . . A 59 VAL C . 36305 1 728 . 1 . 1 59 59 VAL CA C 13 67.100 0.300 . 1 . . . . A 59 VAL CA . 36305 1 729 . 1 . 1 59 59 VAL CB C 13 31.306 0.300 . 1 . . . . A 59 VAL CB . 36305 1 730 . 1 . 1 59 59 VAL CG1 C 13 21.624 0.300 . 2 . . . . A 59 VAL CG1 . 36305 1 731 . 1 . 1 59 59 VAL CG2 C 13 23.857 0.300 . 2 . . . . A 59 VAL CG2 . 36305 1 732 . 1 . 1 59 59 VAL N N 15 118.900 0.300 . 1 . . . . A 59 VAL N . 36305 1 733 . 1 . 1 60 60 GLN H H 1 8.305 0.030 . 1 . . . . A 60 GLN H . 36305 1 734 . 1 . 1 60 60 GLN HA H 1 3.954 0.030 . 1 . . . . A 60 GLN HA . 36305 1 735 . 1 . 1 60 60 GLN HB2 H 1 2.121 0.030 . 1 . . . . A 60 GLN HB2 . 36305 1 736 . 1 . 1 60 60 GLN HB3 H 1 2.121 0.030 . 1 . . . . A 60 GLN HB3 . 36305 1 737 . 1 . 1 60 60 GLN HE21 H 1 6.885 0.030 . 2 . . . . A 60 GLN HE21 . 36305 1 738 . 1 . 1 60 60 GLN HE22 H 1 7.652 0.030 . 2 . . . . A 60 GLN HE22 . 36305 1 739 . 1 . 1 60 60 GLN HG2 H 1 2.485 0.030 . 1 . . . . A 60 GLN HG2 . 36305 1 740 . 1 . 1 60 60 GLN HG3 H 1 2.485 0.030 . 1 . . . . A 60 GLN HG3 . 36305 1 741 . 1 . 1 60 60 GLN C C 13 177.896 0.300 . 1 . . . . A 60 GLN C . 36305 1 742 . 1 . 1 60 60 GLN CA C 13 58.866 0.300 . 1 . . . . A 60 GLN CA . 36305 1 743 . 1 . 1 60 60 GLN CB C 13 28.188 0.300 . 1 . . . . A 60 GLN CB . 36305 1 744 . 1 . 1 60 60 GLN CG C 13 33.791 0.300 . 1 . . . . A 60 GLN CG . 36305 1 745 . 1 . 1 60 60 GLN N N 15 117.283 0.300 . 1 . . . . A 60 GLN N . 36305 1 746 . 1 . 1 60 60 GLN NE2 N 15 112.340 0.300 . 1 . . . . A 60 GLN NE2 . 36305 1 747 . 1 . 1 61 61 LYS H H 1 7.498 0.030 . 1 . . . . A 61 LYS H . 36305 1 748 . 1 . 1 61 61 LYS HA H 1 4.120 0.030 . 1 . . . . A 61 LYS HA . 36305 1 749 . 1 . 1 61 61 LYS HB2 H 1 1.920 0.030 . 1 . . . . A 61 LYS HB2 . 36305 1 750 . 1 . 1 61 61 LYS HB3 H 1 1.920 0.030 . 1 . . . . A 61 LYS HB3 . 36305 1 751 . 1 . 1 61 61 LYS HG2 H 1 1.419 0.030 . 2 . . . . A 61 LYS HG2 . 36305 1 752 . 1 . 1 61 61 LYS HG3 H 1 1.565 0.030 . 2 . . . . A 61 LYS HG3 . 36305 1 753 . 1 . 1 61 61 LYS C C 13 178.442 0.300 . 1 . . . . A 61 LYS C . 36305 1 754 . 1 . 1 61 61 LYS CA C 13 58.789 0.300 . 1 . . . . A 61 LYS CA . 36305 1 755 . 1 . 1 61 61 LYS CB C 13 32.268 0.300 . 1 . . . . A 61 LYS CB . 36305 1 756 . 1 . 1 61 61 LYS CD C 13 29.032 0.300 . 1 . . . . A 61 LYS CD . 36305 1 757 . 1 . 1 61 61 LYS CG C 13 24.666 0.300 . 1 . . . . A 61 LYS CG . 36305 1 758 . 1 . 1 61 61 LYS N N 15 118.558 0.300 . 1 . . . . A 61 LYS N . 36305 1 759 . 1 . 1 62 62 VAL H H 1 7.956 0.030 . 1 . . . . A 62 VAL H . 36305 1 760 . 1 . 1 62 62 VAL HA H 1 3.576 0.030 . 1 . . . . A 62 VAL HA . 36305 1 761 . 1 . 1 62 62 VAL HB H 1 2.124 0.030 . 1 . . . . A 62 VAL HB . 36305 1 762 . 1 . 1 62 62 VAL HG11 H 1 0.766 0.030 . 2 . . . . A 62 VAL HG11 . 36305 1 763 . 1 . 1 62 62 VAL HG12 H 1 0.766 0.030 . 2 . . . . A 62 VAL HG12 . 36305 1 764 . 1 . 1 62 62 VAL HG13 H 1 0.766 0.030 . 2 . . . . A 62 VAL HG13 . 36305 1 765 . 1 . 1 62 62 VAL HG21 H 1 0.905 0.030 . 2 . . . . A 62 VAL HG21 . 36305 1 766 . 1 . 1 62 62 VAL HG22 H 1 0.905 0.030 . 2 . . . . A 62 VAL HG22 . 36305 1 767 . 1 . 1 62 62 VAL HG23 H 1 0.905 0.030 . 2 . . . . A 62 VAL HG23 . 36305 1 768 . 1 . 1 62 62 VAL C C 13 178.016 0.300 . 1 . . . . A 62 VAL C . 36305 1 769 . 1 . 1 62 62 VAL CA C 13 66.132 0.300 . 1 . . . . A 62 VAL CA . 36305 1 770 . 1 . 1 62 62 VAL CB C 13 31.423 0.300 . 1 . . . . A 62 VAL CB . 36305 1 771 . 1 . 1 62 62 VAL CG1 C 13 21.884 0.300 . 2 . . . . A 62 VAL CG1 . 36305 1 772 . 1 . 1 62 62 VAL CG2 C 13 22.170 0.300 . 2 . . . . A 62 VAL CG2 . 36305 1 773 . 1 . 1 62 62 VAL N N 15 117.636 0.300 . 1 . . . . A 62 VAL N . 36305 1 774 . 1 . 1 63 63 LYS H H 1 8.189 0.030 . 1 . . . . A 63 LYS H . 36305 1 775 . 1 . 1 63 63 LYS HA H 1 4.044 0.030 . 1 . . . . A 63 LYS HA . 36305 1 776 . 1 . 1 63 63 LYS HB2 H 1 1.846 0.030 . 1 . . . . A 63 LYS HB2 . 36305 1 777 . 1 . 1 63 63 LYS HB3 H 1 1.846 0.030 . 1 . . . . A 63 LYS HB3 . 36305 1 778 . 1 . 1 63 63 LYS HG2 H 1 1.629 0.030 . 1 . . . . A 63 LYS HG2 . 36305 1 779 . 1 . 1 63 63 LYS HG3 H 1 1.629 0.030 . 1 . . . . A 63 LYS HG3 . 36305 1 780 . 1 . 1 63 63 LYS C C 13 178.208 0.300 . 1 . . . . A 63 LYS C . 36305 1 781 . 1 . 1 63 63 LYS CA C 13 59.225 0.300 . 1 . . . . A 63 LYS CA . 36305 1 782 . 1 . 1 63 63 LYS CB C 13 32.675 0.300 . 1 . . . . A 63 LYS CB . 36305 1 783 . 1 . 1 63 63 LYS CG C 13 25.447 0.300 . 1 . . . . A 63 LYS CG . 36305 1 784 . 1 . 1 63 63 LYS N N 15 117.677 0.300 . 1 . . . . A 63 LYS N . 36305 1 785 . 1 . 1 64 64 GLN H H 1 7.915 0.030 . 1 . . . . A 64 GLN H . 36305 1 786 . 1 . 1 64 64 GLN HA H 1 4.179 0.030 . 1 . . . . A 64 GLN HA . 36305 1 787 . 1 . 1 64 64 GLN HB2 H 1 2.187 0.030 . 1 . . . . A 64 GLN HB2 . 36305 1 788 . 1 . 1 64 64 GLN HB3 H 1 2.187 0.030 . 1 . . . . A 64 GLN HB3 . 36305 1 789 . 1 . 1 64 64 GLN C C 13 177.520 0.300 . 1 . . . . A 64 GLN C . 36305 1 790 . 1 . 1 64 64 GLN CA C 13 57.789 0.300 . 1 . . . . A 64 GLN CA . 36305 1 791 . 1 . 1 64 64 GLN CB C 13 29.215 0.300 . 1 . . . . A 64 GLN CB . 36305 1 792 . 1 . 1 64 64 GLN CG C 13 34.173 0.300 . 1 . . . . A 64 GLN CG . 36305 1 793 . 1 . 1 64 64 GLN N N 15 116.003 0.300 . 1 . . . . A 64 GLN N . 36305 1 794 . 1 . 1 65 65 GLU H H 1 7.927 0.030 . 1 . . . . A 65 GLU H . 36305 1 795 . 1 . 1 65 65 GLU HA H 1 4.356 0.030 . 1 . . . . A 65 GLU HA . 36305 1 796 . 1 . 1 65 65 GLU HB2 H 1 1.939 0.030 . 2 . . . . A 65 GLU HB2 . 36305 1 797 . 1 . 1 65 65 GLU HB3 H 1 2.134 0.030 . 2 . . . . A 65 GLU HB3 . 36305 1 798 . 1 . 1 65 65 GLU HG2 H 1 2.280 0.030 . 2 . . . . A 65 GLU HG2 . 36305 1 799 . 1 . 1 65 65 GLU HG3 H 1 2.383 0.030 . 2 . . . . A 65 GLU HG3 . 36305 1 800 . 1 . 1 65 65 GLU C C 13 176.392 0.300 . 1 . . . . A 65 GLU C . 36305 1 801 . 1 . 1 65 65 GLU CA C 13 56.920 0.300 . 1 . . . . A 65 GLU CA . 36305 1 802 . 1 . 1 65 65 GLU CB C 13 30.912 0.300 . 1 . . . . A 65 GLU CB . 36305 1 803 . 1 . 1 65 65 GLU CG C 13 36.566 0.300 . 1 . . . . A 65 GLU CG . 36305 1 804 . 1 . 1 65 65 GLU N N 15 116.540 0.300 . 1 . . . . A 65 GLU N . 36305 1 805 . 1 . 1 66 66 ALA H H 1 8.115 0.030 . 1 . . . . A 66 ALA H . 36305 1 806 . 1 . 1 66 66 ALA HA H 1 4.520 0.030 . 1 . . . . A 66 ALA HA . 36305 1 807 . 1 . 1 66 66 ALA HB1 H 1 1.404 0.030 . 1 . . . . A 66 ALA HB1 . 36305 1 808 . 1 . 1 66 66 ALA HB2 H 1 1.404 0.030 . 1 . . . . A 66 ALA HB2 . 36305 1 809 . 1 . 1 66 66 ALA HB3 H 1 1.404 0.030 . 1 . . . . A 66 ALA HB3 . 36305 1 810 . 1 . 1 66 66 ALA C C 13 176.489 0.300 . 1 . . . . A 66 ALA C . 36305 1 811 . 1 . 1 66 66 ALA CA C 13 52.066 0.300 . 1 . . . . A 66 ALA CA . 36305 1 812 . 1 . 1 66 66 ALA CB C 13 20.474 0.300 . 1 . . . . A 66 ALA CB . 36305 1 813 . 1 . 1 66 66 ALA N N 15 120.870 0.300 . 1 . . . . A 66 ALA N . 36305 1 814 . 1 . 1 67 67 ASN H H 1 8.411 0.030 . 1 . . . . A 67 ASN H . 36305 1 815 . 1 . 1 67 67 ASN HB2 H 1 2.729 0.030 . 2 . . . . A 67 ASN HB2 . 36305 1 816 . 1 . 1 67 67 ASN HB3 H 1 3.008 0.030 . 2 . . . . A 67 ASN HB3 . 36305 1 817 . 1 . 1 67 67 ASN HD21 H 1 7.563 0.030 . 1 . . . . A 67 ASN HD21 . 36305 1 818 . 1 . 1 67 67 ASN HD22 H 1 7.563 0.030 . 1 . . . . A 67 ASN HD22 . 36305 1 819 . 1 . 1 67 67 ASN C C 13 174.276 0.300 . 1 . . . . A 67 ASN C . 36305 1 820 . 1 . 1 67 67 ASN CA C 13 53.364 0.300 . 1 . . . . A 67 ASN CA . 36305 1 821 . 1 . 1 67 67 ASN CB C 13 37.673 0.300 . 1 . . . . A 67 ASN CB . 36305 1 822 . 1 . 1 67 67 ASN N N 15 116.988 0.300 . 1 . . . . A 67 ASN N . 36305 1 823 . 1 . 1 67 67 ASN ND2 N 15 112.133 0.300 . 1 . . . . A 67 ASN ND2 . 36305 1 824 . 1 . 1 68 68 VAL H H 1 7.192 0.030 . 1 . . . . A 68 VAL H . 36305 1 825 . 1 . 1 68 68 VAL HA H 1 4.539 0.030 . 1 . . . . A 68 VAL HA . 36305 1 826 . 1 . 1 68 68 VAL HB H 1 1.910 0.030 . 1 . . . . A 68 VAL HB . 36305 1 827 . 1 . 1 68 68 VAL HG11 H 1 0.668 0.030 . 2 . . . . A 68 VAL HG11 . 36305 1 828 . 1 . 1 68 68 VAL HG12 H 1 0.668 0.030 . 2 . . . . A 68 VAL HG12 . 36305 1 829 . 1 . 1 68 68 VAL HG13 H 1 0.668 0.030 . 2 . . . . A 68 VAL HG13 . 36305 1 830 . 1 . 1 68 68 VAL HG21 H 1 0.745 0.030 . 2 . . . . A 68 VAL HG21 . 36305 1 831 . 1 . 1 68 68 VAL HG22 H 1 0.745 0.030 . 2 . . . . A 68 VAL HG22 . 36305 1 832 . 1 . 1 68 68 VAL HG23 H 1 0.745 0.030 . 2 . . . . A 68 VAL HG23 . 36305 1 833 . 1 . 1 68 68 VAL C C 13 174.626 0.300 . 1 . . . . A 68 VAL C . 36305 1 834 . 1 . 1 68 68 VAL CA C 13 59.519 0.300 . 1 . . . . A 68 VAL CA . 36305 1 835 . 1 . 1 68 68 VAL CB C 13 34.586 0.300 . 1 . . . . A 68 VAL CB . 36305 1 836 . 1 . 1 68 68 VAL CG1 C 13 19.805 0.300 . 2 . . . . A 68 VAL CG1 . 36305 1 837 . 1 . 1 68 68 VAL CG2 C 13 21.597 0.300 . 2 . . . . A 68 VAL CG2 . 36305 1 838 . 1 . 1 68 68 VAL N N 15 113.653 0.300 . 1 . . . . A 68 VAL N . 36305 1 839 . 1 . 1 69 69 GLN H H 1 7.993 0.030 . 1 . . . . A 69 GLN H . 36305 1 840 . 1 . 1 69 69 GLN HA H 1 4.347 0.030 . 1 . . . . A 69 GLN HA . 36305 1 841 . 1 . 1 69 69 GLN HB2 H 1 1.982 0.030 . 2 . . . . A 69 GLN HB2 . 36305 1 842 . 1 . 1 69 69 GLN HB3 H 1 2.112 0.030 . 2 . . . . A 69 GLN HB3 . 36305 1 843 . 1 . 1 69 69 GLN HG2 H 1 2.335 0.030 . 1 . . . . A 69 GLN HG2 . 36305 1 844 . 1 . 1 69 69 GLN HG3 H 1 2.335 0.030 . 1 . . . . A 69 GLN HG3 . 36305 1 845 . 1 . 1 69 69 GLN C C 13 174.588 0.300 . 1 . . . . A 69 GLN C . 36305 1 846 . 1 . 1 69 69 GLN CA C 13 55.798 0.300 . 1 . . . . A 69 GLN CA . 36305 1 847 . 1 . 1 69 69 GLN CB C 13 30.194 0.300 . 1 . . . . A 69 GLN CB . 36305 1 848 . 1 . 1 69 69 GLN CG C 13 33.873 0.300 . 1 . . . . A 69 GLN CG . 36305 1 849 . 1 . 1 69 69 GLN N N 15 122.523 0.300 . 1 . . . . A 69 GLN N . 36305 1 850 . 1 . 1 70 70 VAL H H 1 8.202 0.030 . 1 . . . . A 70 VAL H . 36305 1 851 . 1 . 1 70 70 VAL HA H 1 5.020 0.030 . 1 . . . . A 70 VAL HA . 36305 1 852 . 1 . 1 70 70 VAL HB H 1 1.771 0.030 . 1 . . . . A 70 VAL HB . 36305 1 853 . 1 . 1 70 70 VAL HG11 H 1 0.762 0.030 . 1 . . . . A 70 VAL HG11 . 36305 1 854 . 1 . 1 70 70 VAL HG12 H 1 0.762 0.030 . 1 . . . . A 70 VAL HG12 . 36305 1 855 . 1 . 1 70 70 VAL HG13 H 1 0.762 0.030 . 1 . . . . A 70 VAL HG13 . 36305 1 856 . 1 . 1 70 70 VAL HG21 H 1 0.865 0.030 . 1 . . . . A 70 VAL HG21 . 36305 1 857 . 1 . 1 70 70 VAL HG22 H 1 0.865 0.030 . 1 . . . . A 70 VAL HG22 . 36305 1 858 . 1 . 1 70 70 VAL HG23 H 1 0.865 0.030 . 1 . . . . A 70 VAL HG23 . 36305 1 859 . 1 . 1 70 70 VAL C C 13 175.155 0.300 . 1 . . . . A 70 VAL C . 36305 1 860 . 1 . 1 70 70 VAL CA C 13 60.568 0.300 . 1 . . . . A 70 VAL CA . 36305 1 861 . 1 . 1 70 70 VAL CB C 13 33.631 0.300 . 1 . . . . A 70 VAL CB . 36305 1 862 . 1 . 1 70 70 VAL CG1 C 13 22.021 0.300 . 1 . . . . A 70 VAL CG1 . 36305 1 863 . 1 . 1 70 70 VAL CG2 C 13 22.021 0.300 . 1 . . . . A 70 VAL CG2 . 36305 1 864 . 1 . 1 70 70 VAL N N 15 123.101 0.300 . 1 . . . . A 70 VAL N . 36305 1 865 . 1 . 1 71 71 TYR H H 1 9.078 0.030 . 1 . . . . A 71 TYR H . 36305 1 866 . 1 . 1 71 71 TYR HA H 1 4.707 0.030 . 1 . . . . A 71 TYR HA . 36305 1 867 . 1 . 1 71 71 TYR HB2 H 1 2.744 0.030 . 2 . . . . A 71 TYR HB2 . 36305 1 868 . 1 . 1 71 71 TYR HB3 H 1 2.946 0.030 . 2 . . . . A 71 TYR HB3 . 36305 1 869 . 1 . 1 71 71 TYR HD1 H 1 7.047 0.030 . 1 . . . . A 71 TYR HD1 . 36305 1 870 . 1 . 1 71 71 TYR HD2 H 1 7.047 0.030 . 1 . . . . A 71 TYR HD2 . 36305 1 871 . 1 . 1 71 71 TYR HE1 H 1 6.703 0.030 . 1 . . . . A 71 TYR HE1 . 36305 1 872 . 1 . 1 71 71 TYR HE2 H 1 6.703 0.030 . 1 . . . . A 71 TYR HE2 . 36305 1 873 . 1 . 1 71 71 TYR C C 13 174.156 0.300 . 1 . . . . A 71 TYR C . 36305 1 874 . 1 . 1 71 71 TYR CA C 13 56.705 0.300 . 1 . . . . A 71 TYR CA . 36305 1 875 . 1 . 1 71 71 TYR CB C 13 40.766 0.300 . 1 . . . . A 71 TYR CB . 36305 1 876 . 1 . 1 71 71 TYR CD1 C 13 133.346 0.300 . 1 . . . . A 71 TYR CD1 . 36305 1 877 . 1 . 1 71 71 TYR CD2 C 13 133.346 0.300 . 1 . . . . A 71 TYR CD2 . 36305 1 878 . 1 . 1 71 71 TYR CE1 C 13 118.080 0.300 . 1 . . . . A 71 TYR CE1 . 36305 1 879 . 1 . 1 71 71 TYR CE2 C 13 118.080 0.300 . 1 . . . . A 71 TYR CE2 . 36305 1 880 . 1 . 1 71 71 TYR N N 15 127.102 0.300 . 1 . . . . A 71 TYR N . 36305 1 881 . 1 . 1 72 72 ARG H H 1 8.878 0.030 . 1 . . . . A 72 ARG H . 36305 1 882 . 1 . 1 72 72 ARG HA H 1 5.047 0.030 . 1 . . . . A 72 ARG HA . 36305 1 883 . 1 . 1 72 72 ARG HB2 H 1 1.587 0.030 . 1 . . . . A 72 ARG HB2 . 36305 1 884 . 1 . 1 72 72 ARG HB3 H 1 1.587 0.030 . 1 . . . . A 72 ARG HB3 . 36305 1 885 . 1 . 1 72 72 ARG HE H 1 8.875 0.030 . 1 . . . . A 72 ARG HE . 36305 1 886 . 1 . 1 72 72 ARG HG2 H 1 1.831 0.030 . 1 . . . . A 72 ARG HG2 . 36305 1 887 . 1 . 1 72 72 ARG HG3 H 1 1.831 0.030 . 1 . . . . A 72 ARG HG3 . 36305 1 888 . 1 . 1 72 72 ARG C C 13 175.652 0.300 . 1 . . . . A 72 ARG C . 36305 1 889 . 1 . 1 72 72 ARG CA C 13 55.416 0.300 . 1 . . . . A 72 ARG CA . 36305 1 890 . 1 . 1 72 72 ARG CB C 13 31.431 0.300 . 1 . . . . A 72 ARG CB . 36305 1 891 . 1 . 1 72 72 ARG CD C 13 43.548 0.300 . 1 . . . . A 72 ARG CD . 36305 1 892 . 1 . 1 72 72 ARG CG C 13 27.439 0.300 . 1 . . . . A 72 ARG CG . 36305 1 893 . 1 . 1 72 72 ARG N N 15 125.313 0.300 . 1 . . . . A 72 ARG N . 36305 1 894 . 1 . 1 73 73 VAL H H 1 8.504 0.030 . 1 . . . . A 73 VAL H . 36305 1 895 . 1 . 1 73 73 VAL HA H 1 5.052 0.030 . 1 . . . . A 73 VAL HA . 36305 1 896 . 1 . 1 73 73 VAL HG11 H 1 0.725 0.030 . 2 . . . . A 73 VAL HG11 . 36305 1 897 . 1 . 1 73 73 VAL HG12 H 1 0.725 0.030 . 2 . . . . A 73 VAL HG12 . 36305 1 898 . 1 . 1 73 73 VAL HG13 H 1 0.725 0.030 . 2 . . . . A 73 VAL HG13 . 36305 1 899 . 1 . 1 73 73 VAL HG21 H 1 0.858 0.030 . 2 . . . . A 73 VAL HG21 . 36305 1 900 . 1 . 1 73 73 VAL HG22 H 1 0.858 0.030 . 2 . . . . A 73 VAL HG22 . 36305 1 901 . 1 . 1 73 73 VAL HG23 H 1 0.858 0.030 . 2 . . . . A 73 VAL HG23 . 36305 1 902 . 1 . 1 73 73 VAL CA C 13 59.530 0.300 . 1 . . . . A 73 VAL CA . 36305 1 903 . 1 . 1 73 73 VAL CB C 13 34.305 0.300 . 1 . . . . A 73 VAL CB . 36305 1 904 . 1 . 1 73 73 VAL CG1 C 13 20.500 0.300 . 2 . . . . A 73 VAL CG1 . 36305 1 905 . 1 . 1 73 73 VAL CG2 C 13 22.209 0.300 . 2 . . . . A 73 VAL CG2 . 36305 1 906 . 1 . 1 73 73 VAL N N 15 119.267 0.300 . 1 . . . . A 73 VAL N . 36305 1 907 . 1 . 1 74 74 THR H H 1 9.065 0.030 . 1 . . . . A 74 THR H . 36305 1 908 . 1 . 1 74 74 THR HA H 1 4.497 0.030 . 1 . . . . A 74 THR HA . 36305 1 909 . 1 . 1 74 74 THR HB H 1 4.382 0.030 . 1 . . . . A 74 THR HB . 36305 1 910 . 1 . 1 74 74 THR HG21 H 1 1.249 0.030 . 1 . . . . A 74 THR HG21 . 36305 1 911 . 1 . 1 74 74 THR HG22 H 1 1.249 0.030 . 1 . . . . A 74 THR HG22 . 36305 1 912 . 1 . 1 74 74 THR HG23 H 1 1.249 0.030 . 1 . . . . A 74 THR HG23 . 36305 1 913 . 1 . 1 74 74 THR C C 13 174.434 0.300 . 1 . . . . A 74 THR C . 36305 1 914 . 1 . 1 74 74 THR CA C 13 63.186 0.300 . 1 . . . . A 74 THR CA . 36305 1 915 . 1 . 1 74 74 THR CB C 13 70.239 0.300 . 1 . . . . A 74 THR CB . 36305 1 916 . 1 . 1 74 74 THR CG2 C 13 21.859 0.300 . 1 . . . . A 74 THR CG2 . 36305 1 917 . 1 . 1 74 74 THR N N 15 113.399 0.300 . 1 . . . . A 74 THR N . 36305 1 918 . 1 . 1 75 75 SER H H 1 7.930 0.030 . 1 . . . . A 75 SER H . 36305 1 919 . 1 . 1 75 75 SER HA H 1 4.804 0.030 . 1 . . . . A 75 SER HA . 36305 1 920 . 1 . 1 75 75 SER HB2 H 1 3.894 0.030 . 2 . . . . A 75 SER HB2 . 36305 1 921 . 1 . 1 75 75 SER HB3 H 1 4.147 0.030 . 2 . . . . A 75 SER HB3 . 36305 1 922 . 1 . 1 75 75 SER C C 13 174.779 0.300 . 1 . . . . A 75 SER C . 36305 1 923 . 1 . 1 75 75 SER CA C 13 56.970 0.300 . 1 . . . . A 75 SER CA . 36305 1 924 . 1 . 1 75 75 SER CB C 13 66.165 0.300 . 1 . . . . A 75 SER CB . 36305 1 925 . 1 . 1 75 75 SER N N 15 115.225 0.300 . 1 . . . . A 75 SER N . 36305 1 926 . 1 . 1 76 76 ASN H H 1 9.046 0.030 . 1 . . . . A 76 ASN H . 36305 1 927 . 1 . 1 76 76 ASN HA H 1 4.428 0.030 . 1 . . . . A 76 ASN HA . 36305 1 928 . 1 . 1 76 76 ASN HB2 H 1 2.853 0.030 . 2 . . . . A 76 ASN HB2 . 36305 1 929 . 1 . 1 76 76 ASN HB3 H 1 2.769 0.030 . 2 . . . . A 76 ASN HB3 . 36305 1 930 . 1 . 1 76 76 ASN HD21 H 1 6.552 0.030 . 2 . . . . A 76 ASN HD21 . 36305 1 931 . 1 . 1 76 76 ASN HD22 H 1 7.545 0.030 . 2 . . . . A 76 ASN HD22 . 36305 1 932 . 1 . 1 76 76 ASN C C 13 177.308 0.300 . 1 . . . . A 76 ASN C . 36305 1 933 . 1 . 1 76 76 ASN CA C 13 55.977 0.300 . 1 . . . . A 76 ASN CA . 36305 1 934 . 1 . 1 76 76 ASN CB C 13 37.989 0.300 . 1 . . . . A 76 ASN CB . 36305 1 935 . 1 . 1 76 76 ASN N N 15 121.032 0.300 . 1 . . . . A 76 ASN N . 36305 1 936 . 1 . 1 76 76 ASN ND2 N 15 109.919 0.300 . 1 . . . . A 76 ASN ND2 . 36305 1 937 . 1 . 1 77 77 ASP H H 1 8.390 0.030 . 1 . . . . A 77 ASP H . 36305 1 938 . 1 . 1 77 77 ASP HA H 1 4.539 0.030 . 1 . . . . A 77 ASP HA . 36305 1 939 . 1 . 1 77 77 ASP HB2 H 1 2.633 0.030 . 2 . . . . A 77 ASP HB2 . 36305 1 940 . 1 . 1 77 77 ASP HB3 H 1 2.760 0.030 . 2 . . . . A 77 ASP HB3 . 36305 1 941 . 1 . 1 77 77 ASP C C 13 178.129 0.300 . 1 . . . . A 77 ASP C . 36305 1 942 . 1 . 1 77 77 ASP CA C 13 56.801 0.300 . 1 . . . . A 77 ASP CA . 36305 1 943 . 1 . 1 77 77 ASP CB C 13 40.477 0.300 . 1 . . . . A 77 ASP CB . 36305 1 944 . 1 . 1 77 77 ASP N N 15 118.563 0.300 . 1 . . . . A 77 ASP N . 36305 1 945 . 1 . 1 78 78 GLU H H 1 7.649 0.030 . 1 . . . . A 78 GLU H . 36305 1 946 . 1 . 1 78 78 GLU HA H 1 4.273 0.030 . 1 . . . . A 78 GLU HA . 36305 1 947 . 1 . 1 78 78 GLU HB2 H 1 2.262 0.030 . 1 . . . . A 78 GLU HB2 . 36305 1 948 . 1 . 1 78 78 GLU HB3 H 1 2.262 0.030 . 1 . . . . A 78 GLU HB3 . 36305 1 949 . 1 . 1 78 78 GLU HG2 H 1 2.365 0.030 . 1 . . . . A 78 GLU HG2 . 36305 1 950 . 1 . 1 78 78 GLU HG3 H 1 2.365 0.030 . 1 . . . . A 78 GLU HG3 . 36305 1 951 . 1 . 1 78 78 GLU C C 13 178.067 0.300 . 1 . . . . A 78 GLU C . 36305 1 952 . 1 . 1 78 78 GLU CA C 13 57.912 0.300 . 1 . . . . A 78 GLU CA . 36305 1 953 . 1 . 1 78 78 GLU CB C 13 31.002 0.300 . 1 . . . . A 78 GLU CB . 36305 1 954 . 1 . 1 78 78 GLU CG C 13 37.346 0.300 . 1 . . . . A 78 GLU CG . 36305 1 955 . 1 . 1 78 78 GLU N N 15 118.267 0.300 . 1 . . . . A 78 GLU N . 36305 1 956 . 1 . 1 79 79 VAL H H 1 7.660 0.030 . 1 . . . . A 79 VAL H . 36305 1 957 . 1 . 1 79 79 VAL HA H 1 3.307 0.030 . 1 . . . . A 79 VAL HA . 36305 1 958 . 1 . 1 79 79 VAL HB H 1 2.182 0.030 . 1 . . . . A 79 VAL HB . 36305 1 959 . 1 . 1 79 79 VAL HG11 H 1 0.448 0.030 . 2 . . . . A 79 VAL HG11 . 36305 1 960 . 1 . 1 79 79 VAL HG12 H 1 0.448 0.030 . 2 . . . . A 79 VAL HG12 . 36305 1 961 . 1 . 1 79 79 VAL HG13 H 1 0.448 0.030 . 2 . . . . A 79 VAL HG13 . 36305 1 962 . 1 . 1 79 79 VAL HG21 H 1 0.957 0.030 . 2 . . . . A 79 VAL HG21 . 36305 1 963 . 1 . 1 79 79 VAL HG22 H 1 0.957 0.030 . 2 . . . . A 79 VAL HG22 . 36305 1 964 . 1 . 1 79 79 VAL HG23 H 1 0.957 0.030 . 2 . . . . A 79 VAL HG23 . 36305 1 965 . 1 . 1 79 79 VAL C C 13 176.748 0.300 . 1 . . . . A 79 VAL C . 36305 1 966 . 1 . 1 79 79 VAL CA C 13 66.857 0.300 . 1 . . . . A 79 VAL CA . 36305 1 967 . 1 . 1 79 79 VAL CB C 13 31.373 0.300 . 1 . . . . A 79 VAL CB . 36305 1 968 . 1 . 1 79 79 VAL CG1 C 13 21.596 0.300 . 2 . . . . A 79 VAL CG1 . 36305 1 969 . 1 . 1 79 79 VAL CG2 C 13 23.838 0.300 . 2 . . . . A 79 VAL CG2 . 36305 1 970 . 1 . 1 79 79 VAL N N 15 119.357 0.300 . 1 . . . . A 79 VAL N . 36305 1 971 . 1 . 1 80 80 GLU H H 1 7.960 0.030 . 1 . . . . A 80 GLU H . 36305 1 972 . 1 . 1 80 80 GLU HA H 1 3.808 0.030 . 1 . . . . A 80 GLU HA . 36305 1 973 . 1 . 1 80 80 GLU HB2 H 1 2.297 0.030 . 1 . . . . A 80 GLU HB2 . 36305 1 974 . 1 . 1 80 80 GLU HB3 H 1 2.297 0.030 . 1 . . . . A 80 GLU HB3 . 36305 1 975 . 1 . 1 80 80 GLU C C 13 177.240 0.300 . 1 . . . . A 80 GLU C . 36305 1 976 . 1 . 1 80 80 GLU CA C 13 59.642 0.300 . 1 . . . . A 80 GLU CA . 36305 1 977 . 1 . 1 80 80 GLU CB C 13 29.700 0.300 . 1 . . . . A 80 GLU CB . 36305 1 978 . 1 . 1 80 80 GLU CG C 13 36.319 0.300 . 1 . . . . A 80 GLU CG . 36305 1 979 . 1 . 1 80 80 GLU N N 15 117.882 0.300 . 1 . . . . A 80 GLU N . 36305 1 980 . 1 . 1 81 81 GLN H H 1 7.568 0.030 . 1 . . . . A 81 GLN H . 36305 1 981 . 1 . 1 81 81 GLN HA H 1 3.999 0.030 . 1 . . . . A 81 GLN HA . 36305 1 982 . 1 . 1 81 81 GLN HB2 H 1 2.163 0.030 . 1 . . . . A 81 GLN HB2 . 36305 1 983 . 1 . 1 81 81 GLN HB3 H 1 2.163 0.030 . 1 . . . . A 81 GLN HB3 . 36305 1 984 . 1 . 1 81 81 GLN HE21 H 1 6.862 0.030 . 1 . . . . A 81 GLN HE21 . 36305 1 985 . 1 . 1 81 81 GLN HE22 H 1 6.862 0.030 . 1 . . . . A 81 GLN HE22 . 36305 1 986 . 1 . 1 81 81 GLN HG2 H 1 2.651 0.030 . 1 . . . . A 81 GLN HG2 . 36305 1 987 . 1 . 1 81 81 GLN HG3 H 1 2.651 0.030 . 1 . . . . A 81 GLN HG3 . 36305 1 988 . 1 . 1 81 81 GLN C C 13 177.789 0.300 . 1 . . . . A 81 GLN C . 36305 1 989 . 1 . 1 81 81 GLN CA C 13 58.314 0.300 . 1 . . . . A 81 GLN CA . 36305 1 990 . 1 . 1 81 81 GLN CB C 13 28.639 0.300 . 1 . . . . A 81 GLN CB . 36305 1 991 . 1 . 1 81 81 GLN CG C 13 33.874 0.300 . 1 . . . . A 81 GLN CG . 36305 1 992 . 1 . 1 81 81 GLN N N 15 114.918 0.300 . 1 . . . . A 81 GLN N . 36305 1 993 . 1 . 1 81 81 GLN NE2 N 15 111.108 0.300 . 1 . . . . A 81 GLN NE2 . 36305 1 994 . 1 . 1 82 82 VAL H H 1 7.453 0.030 . 1 . . . . A 82 VAL H . 36305 1 995 . 1 . 1 82 82 VAL HA H 1 3.814 0.030 . 1 . . . . A 82 VAL HA . 36305 1 996 . 1 . 1 82 82 VAL HB H 1 1.830 0.030 . 1 . . . . A 82 VAL HB . 36305 1 997 . 1 . 1 82 82 VAL HG11 H 1 0.525 0.030 . 2 . . . . A 82 VAL HG11 . 36305 1 998 . 1 . 1 82 82 VAL HG12 H 1 0.525 0.030 . 2 . . . . A 82 VAL HG12 . 36305 1 999 . 1 . 1 82 82 VAL HG13 H 1 0.525 0.030 . 2 . . . . A 82 VAL HG13 . 36305 1 1000 . 1 . 1 82 82 VAL HG21 H 1 0.780 0.030 . 2 . . . . A 82 VAL HG21 . 36305 1 1001 . 1 . 1 82 82 VAL HG22 H 1 0.780 0.030 . 2 . . . . A 82 VAL HG22 . 36305 1 1002 . 1 . 1 82 82 VAL HG23 H 1 0.780 0.030 . 2 . . . . A 82 VAL HG23 . 36305 1 1003 . 1 . 1 82 82 VAL CA C 13 64.352 0.300 . 1 . . . . A 82 VAL CA . 36305 1 1004 . 1 . 1 82 82 VAL CB C 13 31.973 0.300 . 1 . . . . A 82 VAL CB . 36305 1 1005 . 1 . 1 82 82 VAL CG1 C 13 21.666 0.300 . 2 . . . . A 82 VAL CG1 . 36305 1 1006 . 1 . 1 82 82 VAL CG2 C 13 21.797 0.300 . 2 . . . . A 82 VAL CG2 . 36305 1 1007 . 1 . 1 82 82 VAL N N 15 115.558 0.300 . 1 . . . . A 82 VAL N . 36305 1 1008 . 1 . 1 83 83 VAL H H 1 7.791 0.030 . 1 . . . . A 83 VAL H . 36305 1 1009 . 1 . 1 83 83 VAL HA H 1 3.593 0.030 . 1 . . . . A 83 VAL HA . 36305 1 1010 . 1 . 1 83 83 VAL HB H 1 2.105 0.030 . 1 . . . . A 83 VAL HB . 36305 1 1011 . 1 . 1 83 83 VAL HG11 H 1 0.517 0.030 . 2 . . . . A 83 VAL HG11 . 36305 1 1012 . 1 . 1 83 83 VAL HG12 H 1 0.517 0.030 . 2 . . . . A 83 VAL HG12 . 36305 1 1013 . 1 . 1 83 83 VAL HG13 H 1 0.517 0.030 . 2 . . . . A 83 VAL HG13 . 36305 1 1014 . 1 . 1 83 83 VAL HG21 H 1 0.582 0.030 . 2 . . . . A 83 VAL HG21 . 36305 1 1015 . 1 . 1 83 83 VAL HG22 H 1 0.582 0.030 . 2 . . . . A 83 VAL HG22 . 36305 1 1016 . 1 . 1 83 83 VAL HG23 H 1 0.582 0.030 . 2 . . . . A 83 VAL HG23 . 36305 1 1017 . 1 . 1 83 83 VAL C C 13 177.258 0.300 . 1 . . . . A 83 VAL C . 36305 1 1018 . 1 . 1 83 83 VAL CA C 13 64.721 0.300 . 1 . . . . A 83 VAL CA . 36305 1 1019 . 1 . 1 83 83 VAL CB C 13 31.234 0.300 . 1 . . . . A 83 VAL CB . 36305 1 1020 . 1 . 1 83 83 VAL CG1 C 13 21.433 0.300 . 2 . . . . A 83 VAL CG1 . 36305 1 1021 . 1 . 1 83 83 VAL CG2 C 13 21.640 0.300 . 2 . . . . A 83 VAL CG2 . 36305 1 1022 . 1 . 1 83 83 VAL N N 15 116.416 0.300 . 1 . . . . A 83 VAL N . 36305 1 1023 . 1 . 1 84 84 LYS H H 1 7.648 0.030 . 1 . . . . A 84 LYS H . 36305 1 1024 . 1 . 1 84 84 LYS HA H 1 4.120 0.030 . 1 . . . . A 84 LYS HA . 36305 1 1025 . 1 . 1 84 84 LYS HB2 H 1 1.869 0.030 . 1 . . . . A 84 LYS HB2 . 36305 1 1026 . 1 . 1 84 84 LYS HB3 H 1 1.869 0.030 . 1 . . . . A 84 LYS HB3 . 36305 1 1027 . 1 . 1 84 84 LYS C C 13 176.658 0.300 . 1 . . . . A 84 LYS C . 36305 1 1028 . 1 . 1 84 84 LYS CA C 13 57.805 0.300 . 1 . . . . A 84 LYS CA . 36305 1 1029 . 1 . 1 84 84 LYS CB C 13 32.681 0.300 . 1 . . . . A 84 LYS CB . 36305 1 1030 . 1 . 1 84 84 LYS CD C 13 27.899 0.300 . 1 . . . . A 84 LYS CD . 36305 1 1031 . 1 . 1 84 84 LYS CG C 13 25.121 0.300 . 1 . . . . A 84 LYS CG . 36305 1 1032 . 1 . 1 84 84 LYS N N 15 119.202 0.300 . 1 . . . . A 84 LYS N . 36305 1 1033 . 1 . 1 85 85 ASP H H 1 7.958 0.030 . 1 . . . . A 85 ASP H . 36305 1 1034 . 1 . 1 85 85 ASP HA H 1 4.559 0.030 . 1 . . . . A 85 ASP HA . 36305 1 1035 . 1 . 1 85 85 ASP HB2 H 1 2.651 0.030 . 2 . . . . A 85 ASP HB2 . 36305 1 1036 . 1 . 1 85 85 ASP HB3 H 1 2.751 0.030 . 2 . . . . A 85 ASP HB3 . 36305 1 1037 . 1 . 1 85 85 ASP C C 13 176.764 0.300 . 1 . . . . A 85 ASP C . 36305 1 1038 . 1 . 1 85 85 ASP CA C 13 54.845 0.300 . 1 . . . . A 85 ASP CA . 36305 1 1039 . 1 . 1 85 85 ASP CB C 13 40.915 0.300 . 1 . . . . A 85 ASP CB . 36305 1 1040 . 1 . 1 85 85 ASP N N 15 120.354 0.300 . 1 . . . . A 85 ASP N . 36305 1 1041 . 1 . 1 86 86 VAL H H 1 8.064 0.030 . 1 . . . . A 86 VAL H . 36305 1 1042 . 1 . 1 86 86 VAL HA H 1 4.044 0.030 . 1 . . . . A 86 VAL HA . 36305 1 1043 . 1 . 1 86 86 VAL HB H 1 2.076 0.030 . 1 . . . . A 86 VAL HB . 36305 1 1044 . 1 . 1 86 86 VAL HG11 H 1 0.852 0.030 . 2 . . . . A 86 VAL HG11 . 36305 1 1045 . 1 . 1 86 86 VAL HG12 H 1 0.852 0.030 . 2 . . . . A 86 VAL HG12 . 36305 1 1046 . 1 . 1 86 86 VAL HG13 H 1 0.852 0.030 . 2 . . . . A 86 VAL HG13 . 36305 1 1047 . 1 . 1 86 86 VAL HG21 H 1 0.852 0.030 . 2 . . . . A 86 VAL HG21 . 36305 1 1048 . 1 . 1 86 86 VAL HG22 H 1 0.852 0.030 . 2 . . . . A 86 VAL HG22 . 36305 1 1049 . 1 . 1 86 86 VAL HG23 H 1 0.852 0.030 . 2 . . . . A 86 VAL HG23 . 36305 1 1050 . 1 . 1 86 86 VAL C C 13 176.702 0.300 . 1 . . . . A 86 VAL C . 36305 1 1051 . 1 . 1 86 86 VAL CA C 13 62.845 0.300 . 1 . . . . A 86 VAL CA . 36305 1 1052 . 1 . 1 86 86 VAL CB C 13 32.474 0.300 . 1 . . . . A 86 VAL CB . 36305 1 1053 . 1 . 1 86 86 VAL CG1 C 13 20.694 0.300 . 2 . . . . A 86 VAL CG1 . 36305 1 1054 . 1 . 1 86 86 VAL CG2 C 13 21.372 0.300 . 2 . . . . A 86 VAL CG2 . 36305 1 1055 . 1 . 1 86 86 VAL N N 15 119.491 0.300 . 1 . . . . A 86 VAL N . 36305 1 1056 . 1 . 1 87 87 LYS H H 1 8.342 0.030 . 1 . . . . A 87 LYS H . 36305 1 1057 . 1 . 1 87 87 LYS HA H 1 4.284 0.030 . 1 . . . . A 87 LYS HA . 36305 1 1058 . 1 . 1 87 87 LYS HB2 H 1 1.856 0.030 . 1 . . . . A 87 LYS HB2 . 36305 1 1059 . 1 . 1 87 87 LYS HB3 H 1 1.856 0.030 . 1 . . . . A 87 LYS HB3 . 36305 1 1060 . 1 . 1 87 87 LYS HG2 H 1 1.466 0.030 . 2 . . . . A 87 LYS HG2 . 36305 1 1061 . 1 . 1 87 87 LYS HG3 H 1 1.513 0.030 . 2 . . . . A 87 LYS HG3 . 36305 1 1062 . 1 . 1 87 87 LYS C C 13 177.330 0.300 . 1 . . . . A 87 LYS C . 36305 1 1063 . 1 . 1 87 87 LYS CA C 13 56.975 0.300 . 1 . . . . A 87 LYS CA . 36305 1 1064 . 1 . 1 87 87 LYS CB C 13 32.799 0.300 . 1 . . . . A 87 LYS CB . 36305 1 1065 . 1 . 1 87 87 LYS CG C 13 24.790 0.300 . 1 . . . . A 87 LYS CG . 36305 1 1066 . 1 . 1 87 87 LYS N N 15 123.657 0.300 . 1 . . . . A 87 LYS N . 36305 1 1067 . 1 . 1 88 88 GLY H H 1 8.324 0.030 . 1 . . . . A 88 GLY H . 36305 1 1068 . 1 . 1 88 88 GLY HA2 H 1 4.017 0.030 . 1 . . . . A 88 GLY HA2 . 36305 1 1069 . 1 . 1 88 88 GLY HA3 H 1 4.017 0.030 . 1 . . . . A 88 GLY HA3 . 36305 1 1070 . 1 . 1 88 88 GLY C C 13 174.386 0.300 . 1 . . . . A 88 GLY C . 36305 1 1071 . 1 . 1 88 88 GLY CA C 13 45.496 0.300 . 1 . . . . A 88 GLY CA . 36305 1 1072 . 1 . 1 88 88 GLY N N 15 109.610 0.300 . 1 . . . . A 88 GLY N . 36305 1 1073 . 1 . 1 89 89 SER H H 1 8.324 0.030 . 1 . . . . A 89 SER H . 36305 1 1074 . 1 . 1 89 89 SER HA H 1 4.490 0.030 . 1 . . . . A 89 SER HA . 36305 1 1075 . 1 . 1 89 89 SER HB2 H 1 3.924 0.030 . 2 . . . . A 89 SER HB2 . 36305 1 1076 . 1 . 1 89 89 SER HB3 H 1 3.955 0.030 . 2 . . . . A 89 SER HB3 . 36305 1 1077 . 1 . 1 89 89 SER C C 13 175.292 0.300 . 1 . . . . A 89 SER C . 36305 1 1078 . 1 . 1 89 89 SER CA C 13 58.736 0.300 . 1 . . . . A 89 SER CA . 36305 1 1079 . 1 . 1 89 89 SER CB C 13 64.139 0.300 . 1 . . . . A 89 SER CB . 36305 1 1080 . 1 . 1 89 89 SER N N 15 115.804 0.300 . 1 . . . . A 89 SER N . 36305 1 1081 . 1 . 1 90 90 GLY H H 1 8.609 0.030 . 1 . . . . A 90 GLY H . 36305 1 1082 . 1 . 1 90 90 GLY HA2 H 1 4.016 0.030 . 1 . . . . A 90 GLY HA2 . 36305 1 1083 . 1 . 1 90 90 GLY HA3 H 1 4.016 0.030 . 1 . . . . A 90 GLY HA3 . 36305 1 1084 . 1 . 1 90 90 GLY C C 13 174.320 0.300 . 1 . . . . A 90 GLY C . 36305 1 1085 . 1 . 1 90 90 GLY CA C 13 45.564 0.300 . 1 . . . . A 90 GLY CA . 36305 1 1086 . 1 . 1 90 90 GLY N N 15 111.020 0.300 . 1 . . . . A 90 GLY N . 36305 1 1087 . 1 . 1 91 91 LEU H H 1 8.090 0.030 . 1 . . . . A 91 LEU H . 36305 1 1088 . 1 . 1 91 91 LEU HA H 1 4.313 0.030 . 1 . . . . A 91 LEU HA . 36305 1 1089 . 1 . 1 91 91 LEU HB2 H 1 1.566 0.030 . 1 . . . . A 91 LEU HB2 . 36305 1 1090 . 1 . 1 91 91 LEU HB3 H 1 1.566 0.030 . 1 . . . . A 91 LEU HB3 . 36305 1 1091 . 1 . 1 91 91 LEU HD11 H 1 0.856 0.030 . 2 . . . . A 91 LEU HD11 . 36305 1 1092 . 1 . 1 91 91 LEU HD12 H 1 0.856 0.030 . 2 . . . . A 91 LEU HD12 . 36305 1 1093 . 1 . 1 91 91 LEU HD13 H 1 0.856 0.030 . 2 . . . . A 91 LEU HD13 . 36305 1 1094 . 1 . 1 91 91 LEU HD21 H 1 0.914 0.030 . 2 . . . . A 91 LEU HD21 . 36305 1 1095 . 1 . 1 91 91 LEU HD22 H 1 0.914 0.030 . 2 . . . . A 91 LEU HD22 . 36305 1 1096 . 1 . 1 91 91 LEU HD23 H 1 0.914 0.030 . 2 . . . . A 91 LEU HD23 . 36305 1 1097 . 1 . 1 91 91 LEU C C 13 177.478 0.300 . 1 . . . . A 91 LEU C . 36305 1 1098 . 1 . 1 91 91 LEU CA C 13 55.337 0.300 . 1 . . . . A 91 LEU CA . 36305 1 1099 . 1 . 1 91 91 LEU CB C 13 42.384 0.300 . 1 . . . . A 91 LEU CB . 36305 1 1100 . 1 . 1 91 91 LEU CD1 C 13 23.460 0.300 . 2 . . . . A 91 LEU CD1 . 36305 1 1101 . 1 . 1 91 91 LEU CD2 C 13 25.028 0.300 . 2 . . . . A 91 LEU CD2 . 36305 1 1102 . 1 . 1 91 91 LEU CG C 13 26.982 0.300 . 1 . . . . A 91 LEU CG . 36305 1 1103 . 1 . 1 91 91 LEU N N 15 121.221 0.300 . 1 . . . . A 91 LEU N . 36305 1 1104 . 1 . 1 92 92 GLU H H 1 8.455 0.030 . 1 . . . . A 92 GLU H . 36305 1 1105 . 1 . 1 92 92 GLU HA H 1 4.203 0.030 . 1 . . . . A 92 GLU HA . 36305 1 1106 . 1 . 1 92 92 GLU HB2 H 1 1.899 0.030 . 1 . . . . A 92 GLU HB2 . 36305 1 1107 . 1 . 1 92 92 GLU HB3 H 1 1.899 0.030 . 1 . . . . A 92 GLU HB3 . 36305 1 1108 . 1 . 1 92 92 GLU HG2 H 1 2.186 0.030 . 1 . . . . A 92 GLU HG2 . 36305 1 1109 . 1 . 1 92 92 GLU HG3 H 1 2.186 0.030 . 1 . . . . A 92 GLU HG3 . 36305 1 1110 . 1 . 1 92 92 GLU C C 13 174.034 0.300 . 1 . . . . A 92 GLU C . 36305 1 1111 . 1 . 1 92 92 GLU CA C 13 56.806 0.300 . 1 . . . . A 92 GLU CA . 36305 1 1112 . 1 . 1 92 92 GLU CB C 13 29.994 0.300 . 1 . . . . A 92 GLU CB . 36305 1 1113 . 1 . 1 92 92 GLU CG C 13 36.146 0.300 . 1 . . . . A 92 GLU CG . 36305 1 1114 . 1 . 1 92 92 GLU N N 15 120.966 0.300 . 1 . . . . A 92 GLU N . 36305 1 1115 . 1 . 1 93 93 HIS H H 1 8.346 0.030 . 1 . . . . A 93 HIS H . 36305 1 1116 . 1 . 1 93 93 HIS HA H 1 4.533 0.030 . 1 . . . . A 93 HIS HA . 36305 1 1117 . 1 . 1 93 93 HIS C C 13 175.572 0.300 . 1 . . . . A 93 HIS C . 36305 1 1118 . 1 . 1 93 93 HIS CA C 13 56.629 0.300 . 1 . . . . A 93 HIS CA . 36305 1 1119 . 1 . 1 93 93 HIS CB C 13 31.538 0.300 . 1 . . . . A 93 HIS CB . 36305 1 1120 . 1 . 1 93 93 HIS N N 15 119.578 0.300 . 1 . . . . A 93 HIS N . 36305 1 1121 . 1 . 1 94 94 HIS CA C 13 56.375 0.300 . 1 . . . . A 94 HIS CA . 36305 1 1122 . 1 . 1 94 94 HIS CB C 13 29.153 0.300 . 1 . . . . A 94 HIS CB . 36305 1 1123 . 1 . 1 94 94 HIS CD2 C 13 119.953 0.300 . 1 . . . . A 94 HIS CD2 . 36305 1 stop_ save_