data_17938 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17938 _Entry.Title ; Solution Chemical Shifts Assignments of 1H, 13C, and 15N for CAP-Gly ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-14 _Entry.Accession_date 2011-09-14 _Entry.Last_release_date 2011-10-28 _Entry.Original_release_date 2011-10-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Si Yan . . . 17938 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17938 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 17938 '15N chemical shifts' 86 17938 '1H chemical shifts' 300 17938 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 . . 2011-10-28 2011-09-14 original author . 17938 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17937 'Solid-State and Solution NMR Studies of the CAP-Gly Domain of Mammalian Dynactin and Its Interaction with Microtubules' 17938 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17938 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19580321 _Citation.Full_citation . _Citation.Title ; Solid-State and Solution NMR Studies of the CAP-Gly Domain of Mammalian Dynactin and Its Interaction with Microtubules ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 131 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10113 _Citation.Page_last 10126 _Citation.Year 2009 _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.Entry_ID _Citation_author.Citation_ID 1 Shangjin Sun . . . 17938 1 2 Amanda Siglin . . . 17938 1 3 John Williams . C. . 17938 1 4 Tatyana Polenova . . . 17938 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17938 _Assembly.ID 1 _Assembly.Name CAP-Gly _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CAP-Gly 1 $CAP-Gly A . yes native no no . . . 17938 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAP-Gly _Entity.Sf_category entity _Entity.Sf_framecode CAP-Gly _Entity.Entry_ID 17938 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CAP-Gly _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TEASARPLRVGSRVEVIGKG HRGTVAYVGATLFATGKWVG VILDEAKGKNDGTVQGRKYF TCDEGHGIFVRQSQIQVFED GADTTSPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17937 . CAP-Gly . . . . . 100.00 88 100.00 100.00 1.10e-55 . . . . 17938 1 2 no BMRB 19025 . CAP-Gly . . . . . 100.00 89 100.00 100.00 9.65e-56 . . . . 17938 1 3 no BMRB 19031 . CAP-Gly . . . . . 100.00 89 100.00 100.00 9.65e-56 . . . . 17938 1 4 no BMRB 25005 . CAP-Gly . . . . . 100.00 89 100.00 100.00 9.65e-56 . . . . 17938 1 5 no PDB 1TXQ . "Crystal Structure Of The Eb1 C-Terminal Domain Complexed With The Cap-Gly Domain Of P150glued" . . . . . 98.86 93 100.00 100.00 3.19e-55 . . . . 17938 1 6 no PDB 2HKN . "Crystal Structure Of The Cap-Gly Domain Of Human Dynactin-1 (P150- Glued)" . . . . . 98.86 97 100.00 100.00 4.19e-55 . . . . 17938 1 7 no PDB 2HKQ . "Crystal Structure Of The C-Terminal Domain Of Human Eb1 In Complex With The Cap-Gly Domain Of Human Dynactin-1 (P150-Glued)" . . . . . 98.86 97 100.00 100.00 4.19e-55 . . . . 17938 1 8 no PDB 2HL3 . "Crystal Structure Of The A49m Mutant Cap-gly Domain Of Human Dynactin- 1 (p150-glued) In Complex With Human Eb1 C-terminal Hexa" . . . . . 98.86 97 98.85 98.85 1.84e-54 . . . . 17938 1 9 no PDB 2HL5 . "Crystal Structure Of The C-Terminal Domain Of Human Eb1 In Complex With The A49m Mutant Cap-Gly Domain Of Human Dynactin-1 (P15" . . . . . 98.86 97 98.85 98.85 1.84e-54 . . . . 17938 1 10 no PDB 2HQH . "Crystal Structure Of P150glued And Clip-170" . . . . . 98.86 93 100.00 100.00 3.19e-55 . . . . 17938 1 11 no PDB 2M02 . "3d Structure Of Cap-gly Domain Of Mammalian Dynactin Determined By Magic Angle Spinning Nmr Spectroscopy" . . . . . 100.00 89 100.00 100.00 9.65e-56 . . . . 17938 1 12 no PDB 2MPX . "Three-dimensional Structure Of Cap-gly Domain Assembled On Microtubules Determined By Mas Nmr Spectroscopy" . . . . . 79.55 70 100.00 100.00 7.68e-42 . . . . 17938 1 13 no PDB 3E2U . "Crystal Structure Of The Zink-Knuckle 2 Domain Of Human Clip-170 In Complex With Cap-Gly Domain Of Human Dynactin-1 (P150-Glued" . . . . . 98.86 97 100.00 100.00 4.19e-55 . . . . 17938 1 14 no PDB 3TQ7 . "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" . . . . . 80.68 71 98.59 98.59 1.65e-41 . . . . 17938 1 15 no DBJ BAE34241 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1243 100.00 100.00 1.82e-51 . . . . 17938 1 16 no DBJ BAE37079 . "unnamed protein product [Mus musculus]" . . . . . 100.00 395 100.00 100.00 1.35e-50 . . . . 17938 1 17 no DBJ BAE42418 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1239 100.00 100.00 3.25e-51 . . . . 17938 1 18 no DBJ BAE42912 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1239 100.00 100.00 2.52e-51 . . . . 17938 1 19 no DBJ BAE87998 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.86 409 100.00 100.00 2.29e-55 . . . . 17938 1 20 no EMBL CAA44091 . "150K dynein-associated polypeptide [Rattus norvegicus]" . . . . . 100.00 1280 100.00 100.00 3.13e-51 . . . . 17938 1 21 no EMBL CAA67333 . "dynactin [Homo sapiens]" . . . . . 98.86 1263 100.00 100.00 1.58e-50 . . . . 17938 1 22 no EMBL CAE45882 . "hypothetical protein [Homo sapiens]" . . . . . 98.86 1278 100.00 100.00 1.97e-50 . . . . 17938 1 23 no EMBL CAH10572 . "hypothetical protein [Homo sapiens]" . . . . . 98.86 890 100.00 100.00 5.76e-51 . . . . 17938 1 24 no EMBL CAH10575 . "hypothetical protein [Homo sapiens]" . . . . . 98.86 890 100.00 100.00 7.42e-51 . . . . 17938 1 25 no GB AAB57773 . "dynactin1 [Mus musculus]" . . . . . 100.00 1281 100.00 100.00 4.54e-51 . . . . 17938 1 26 no GB AAD03694 . "dynactin 1 [Homo sapiens]" . . . . . 98.86 1261 100.00 100.00 1.58e-50 . . . . 17938 1 27 no GB AAD55811 . "dynactin 1 p150 isoform [Homo sapiens]" . . . . . 98.86 1278 100.00 100.00 1.62e-50 . . . . 17938 1 28 no GB AAH66061 . "Dctn1 protein [Mus musculus]" . . . . . 100.00 1264 98.86 98.86 1.03e-49 . . . . 17938 1 29 no GB AAI42510 . "DCTN1 protein [Bos taurus]" . . . . . 98.86 1239 100.00 100.00 8.47e-51 . . . . 17938 1 30 no REF NP_001092404 . "dynactin subunit 1 [Bos taurus]" . . . . . 98.86 1239 100.00 100.00 8.47e-51 . . . . 17938 1 31 no REF NP_001127253 . "dynactin subunit 1 [Pongo abelii]" . . . . . 67.05 233 100.00 100.00 5.90e-35 . . . . 17938 1 32 no REF NP_001128512 . "dynactin subunit 1 isoform 3 [Homo sapiens]" . . . . . 98.86 1253 100.00 100.00 1.16e-50 . . . . 17938 1 33 no REF NP_001177765 . "dynactin subunit 1 isoform 5 [Homo sapiens]" . . . . . 98.86 1236 100.00 100.00 8.18e-51 . . . . 17938 1 34 no REF NP_001177766 . "dynactin subunit 1 isoform 6 [Homo sapiens]" . . . . . 98.86 1271 100.00 100.00 1.60e-50 . . . . 17938 1 35 no SP O08788 . "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" . . . . . 100.00 1281 100.00 100.00 4.08e-51 . . . . 17938 1 36 no SP P28023 . "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" . . . . . 100.00 1280 100.00 100.00 3.13e-51 . . . . 17938 1 37 no SP Q14203 . "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" . . . . . 98.86 1278 100.00 100.00 1.62e-50 . . . . 17938 1 38 no TPG DAA24857 . "TPA: dynactin 1 [Bos taurus]" . . . . . 98.86 1239 100.00 100.00 8.47e-51 . . . . 17938 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 20 THR . 17938 1 2 21 GLU . 17938 1 3 22 ALA . 17938 1 4 23 SER . 17938 1 5 24 ALA . 17938 1 6 25 ARG . 17938 1 7 26 PRO . 17938 1 8 27 LEU . 17938 1 9 28 ARG . 17938 1 10 29 VAL . 17938 1 11 30 GLY . 17938 1 12 31 SER . 17938 1 13 32 ARG . 17938 1 14 33 VAL . 17938 1 15 34 GLU . 17938 1 16 35 VAL . 17938 1 17 36 ILE . 17938 1 18 37 GLY . 17938 1 19 38 LYS . 17938 1 20 39 GLY . 17938 1 21 40 HIS . 17938 1 22 41 ARG . 17938 1 23 42 GLY . 17938 1 24 43 THR . 17938 1 25 44 VAL . 17938 1 26 45 ALA . 17938 1 27 46 TYR . 17938 1 28 47 VAL . 17938 1 29 48 GLY . 17938 1 30 49 ALA . 17938 1 31 50 THR . 17938 1 32 51 LEU . 17938 1 33 52 PHE . 17938 1 34 53 ALA . 17938 1 35 54 THR . 17938 1 36 55 GLY . 17938 1 37 56 LYS . 17938 1 38 57 TRP . 17938 1 39 58 VAL . 17938 1 40 59 GLY . 17938 1 41 60 VAL . 17938 1 42 61 ILE . 17938 1 43 62 LEU . 17938 1 44 63 ASP . 17938 1 45 64 GLU . 17938 1 46 65 ALA . 17938 1 47 66 LYS . 17938 1 48 67 GLY . 17938 1 49 68 LYS . 17938 1 50 69 ASN . 17938 1 51 70 ASP . 17938 1 52 71 GLY . 17938 1 53 72 THR . 17938 1 54 73 VAL . 17938 1 55 74 GLN . 17938 1 56 75 GLY . 17938 1 57 76 ARG . 17938 1 58 77 LYS . 17938 1 59 78 TYR . 17938 1 60 79 PHE . 17938 1 61 80 THR . 17938 1 62 81 CYS . 17938 1 63 82 ASP . 17938 1 64 83 GLU . 17938 1 65 84 GLY . 17938 1 66 85 HIS . 17938 1 67 86 GLY . 17938 1 68 87 ILE . 17938 1 69 88 PHE . 17938 1 70 89 VAL . 17938 1 71 90 ARG . 17938 1 72 91 GLN . 17938 1 73 92 SER . 17938 1 74 93 GLN . 17938 1 75 94 ILE . 17938 1 76 95 GLN . 17938 1 77 96 VAL . 17938 1 78 97 PHE . 17938 1 79 98 GLU . 17938 1 80 99 ASP . 17938 1 81 100 GLY . 17938 1 82 101 ALA . 17938 1 83 102 ASP . 17938 1 84 103 THR . 17938 1 85 104 THR . 17938 1 86 105 SER . 17938 1 87 106 PRO . 17938 1 88 107 GLU . 17938 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 . THR 1 1 17938 1 . GLU 2 2 17938 1 . ALA 3 3 17938 1 . SER 4 4 17938 1 . ALA 5 5 17938 1 . ARG 6 6 17938 1 . PRO 7 7 17938 1 . LEU 8 8 17938 1 . ARG 9 9 17938 1 . VAL 10 10 17938 1 . GLY 11 11 17938 1 . SER 12 12 17938 1 . ARG 13 13 17938 1 . VAL 14 14 17938 1 . GLU 15 15 17938 1 . VAL 16 16 17938 1 . ILE 17 17 17938 1 . GLY 18 18 17938 1 . LYS 19 19 17938 1 . GLY 20 20 17938 1 . HIS 21 21 17938 1 . ARG 22 22 17938 1 . GLY 23 23 17938 1 . THR 24 24 17938 1 . VAL 25 25 17938 1 . ALA 26 26 17938 1 . TYR 27 27 17938 1 . VAL 28 28 17938 1 . GLY 29 29 17938 1 . ALA 30 30 17938 1 . THR 31 31 17938 1 . LEU 32 32 17938 1 . PHE 33 33 17938 1 . ALA 34 34 17938 1 . THR 35 35 17938 1 . GLY 36 36 17938 1 . LYS 37 37 17938 1 . TRP 38 38 17938 1 . VAL 39 39 17938 1 . GLY 40 40 17938 1 . VAL 41 41 17938 1 . ILE 42 42 17938 1 . LEU 43 43 17938 1 . ASP 44 44 17938 1 . GLU 45 45 17938 1 . ALA 46 46 17938 1 . LYS 47 47 17938 1 . GLY 48 48 17938 1 . LYS 49 49 17938 1 . ASN 50 50 17938 1 . ASP 51 51 17938 1 . GLY 52 52 17938 1 . THR 53 53 17938 1 . VAL 54 54 17938 1 . GLN 55 55 17938 1 . GLY 56 56 17938 1 . ARG 57 57 17938 1 . LYS 58 58 17938 1 . TYR 59 59 17938 1 . PHE 60 60 17938 1 . THR 61 61 17938 1 . CYS 62 62 17938 1 . ASP 63 63 17938 1 . GLU 64 64 17938 1 . GLY 65 65 17938 1 . HIS 66 66 17938 1 . GLY 67 67 17938 1 . ILE 68 68 17938 1 . PHE 69 69 17938 1 . VAL 70 70 17938 1 . ARG 71 71 17938 1 . GLN 72 72 17938 1 . SER 73 73 17938 1 . GLN 74 74 17938 1 . ILE 75 75 17938 1 . GLN 76 76 17938 1 . VAL 77 77 17938 1 . PHE 78 78 17938 1 . GLU 79 79 17938 1 . ASP 80 80 17938 1 . GLY 81 81 17938 1 . ALA 82 82 17938 1 . ASP 83 83 17938 1 . THR 84 84 17938 1 . THR 85 85 17938 1 . SER 86 86 17938 1 . PRO 87 87 17938 1 . GLU 88 88 17938 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 17938 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CAP-Gly . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17938 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 17938 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CAP-Gly . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b-His6-SMT3 . . . . . . 17938 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17938 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system Water _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 CAP-Gly '[U-100% 13C; U-100% 15N]' . . 1 $CAP-Gly . . 0.96 . . mM . . . . 17938 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17938 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 90 . mM 17938 1 pH 6.0 . pH 17938 1 pressure 1 . atm 17938 1 temperature 298 . K 17938 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17938 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17938 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17938 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17938 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17938 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17938 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17938 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17938 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 600 . . . 17938 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17938 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17938 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17938 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17938 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17938 1 5 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17938 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17938 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17938 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17938 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17938 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17938 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17938 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17938 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 2 '3D HNCA' . . . 17938 1 3 '3D CBCA(CO)NH' . . . 17938 1 4 '3D HNCO' . . . 17938 1 5 '3D HN(CA)CO' . . . 17938 1 6 '3D HBHA(CO)NH' . . . 17938 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 THR H H 1 8.3 . . 1 . . . . 20 THR H . 17938 1 2 . 1 1 1 1 THR HA H 1 4.3 . . 1 . . . . 20 THR HA . 17938 1 3 . 1 1 1 1 THR HB H 1 4.2 . . 1 . . . . 20 THR HB . 17938 1 4 . 1 1 1 1 THR C C 13 174.7 . . 1 . . . . 20 THR C . 17938 1 5 . 1 1 1 1 THR CA C 13 62.1 . . 1 . . . . 20 THR CA . 17938 1 6 . 1 1 1 1 THR CB C 13 69.6 . . 1 . . . . 20 THR CB . 17938 1 7 . 1 1 1 1 THR N N 15 115.9 . . 1 . . . . 20 THR N . 17938 1 8 . 1 1 2 2 GLU H H 1 8.4 . . 1 . . . . 21 GLU H . 17938 1 9 . 1 1 2 2 GLU HA H 1 4.2 . . 1 . . . . 21 GLU HA . 17938 1 10 . 1 1 2 2 GLU HB2 H 1 2.0 . . . . . . . 21 GLU HB2 . 17938 1 11 . 1 1 2 2 GLU HB3 H 1 1.9 . . . . . . . 21 GLU HB3 . 17938 1 12 . 1 1 2 2 GLU C C 13 176.5 . . 1 . . . . 21 GLU C . 17938 1 13 . 1 1 2 2 GLU CA C 13 56.8 . . 1 . . . . 21 GLU CA . 17938 1 14 . 1 1 2 2 GLU CB C 13 30.2 . . 1 . . . . 21 GLU CB . 17938 1 15 . 1 1 2 2 GLU N N 15 123.4 . . 1 . . . . 21 GLU N . 17938 1 16 . 1 1 3 3 ALA H H 1 8.4 . . 1 . . . . 22 ALA H . 17938 1 17 . 1 1 3 3 ALA HA H 1 4.2 . . 1 . . . . 22 ALA HA . 17938 1 18 . 1 1 3 3 ALA HB1 H 1 1.3 . . 1 . . . . 22 ALA MB . 17938 1 19 . 1 1 3 3 ALA HB2 H 1 1.3 . . 1 . . . . 22 ALA MB . 17938 1 20 . 1 1 3 3 ALA HB3 H 1 1.3 . . 1 . . . . 22 ALA MB . 17938 1 21 . 1 1 3 3 ALA C C 13 178.0 . . 1 . . . . 22 ALA C . 17938 1 22 . 1 1 3 3 ALA CA C 13 53.0 . . 1 . . . . 22 ALA CA . 17938 1 23 . 1 1 3 3 ALA CB C 13 19.1 . . 1 . . . . 22 ALA CB . 17938 1 24 . 1 1 3 3 ALA N N 15 125.2 . . 1 . . . . 22 ALA N . 17938 1 25 . 1 1 4 4 SER H H 1 8.2 . . 1 . . . . 23 SER H . 17938 1 26 . 1 1 4 4 SER HA H 1 4.3 . . 1 . . . . 23 SER HA . 17938 1 27 . 1 1 4 4 SER HB2 H 1 3.8 . . . . . . . 23 SER HB2 . 17938 1 28 . 1 1 4 4 SER C C 13 174.1 . . 1 . . . . 23 SER C . 17938 1 29 . 1 1 4 4 SER CA C 13 58.4 . . 1 . . . . 23 SER CA . 17938 1 30 . 1 1 4 4 SER CB C 13 63.8 . . 1 . . . . 23 SER CB . 17938 1 31 . 1 1 4 4 SER N N 15 114.4 . . 1 . . . . 23 SER N . 17938 1 32 . 1 1 5 5 ALA H H 1 8.1 . . 1 . . . . 24 ALA H . 17938 1 33 . 1 1 5 5 ALA HA H 1 4.3 . . 1 . . . . 24 ALA HA . 17938 1 34 . 1 1 5 5 ALA HB1 H 1 1.3 . . 1 . . . . 24 ALA MB . 17938 1 35 . 1 1 5 5 ALA HB2 H 1 1.3 . . 1 . . . . 24 ALA MB . 17938 1 36 . 1 1 5 5 ALA HB3 H 1 1.3 . . 1 . . . . 24 ALA MB . 17938 1 37 . 1 1 5 5 ALA C C 13 177.4 . . 1 . . . . 24 ALA C . 17938 1 38 . 1 1 5 5 ALA CA C 13 52.3 . . 1 . . . . 24 ALA CA . 17938 1 39 . 1 1 5 5 ALA CB C 13 19.3 . . 1 . . . . 24 ALA CB . 17938 1 40 . 1 1 5 5 ALA N N 15 125.7 . . 1 . . . . 24 ALA N . 17938 1 41 . 1 1 6 6 ARG H H 1 8.2 . . 1 . . . . 25 ARG H . 17938 1 42 . 1 1 6 6 ARG C C 13 173.9 . . 1 . . . . 25 ARG C . 17938 1 43 . 1 1 6 6 ARG CA C 13 54.0 . . 1 . . . . 25 ARG CA . 17938 1 44 . 1 1 6 6 ARG N N 15 121.6 . . 1 . . . . 25 ARG N . 17938 1 45 . 1 1 7 7 PRO HA H 1 4.3 . . 1 . . . . 26 PRO HA . 17938 1 46 . 1 1 7 7 PRO HB2 H 1 2.2 . . . . . . . 26 PRO HB2 . 17938 1 47 . 1 1 7 7 PRO HB3 H 1 1.7 . . . . . . . 26 PRO HB3 . 17938 1 48 . 1 1 7 7 PRO C C 13 175.9 . . 1 . . . . 26 PRO C . 17938 1 49 . 1 1 7 7 PRO CA C 13 62.8 . . 1 . . . . 26 PRO CA . 17938 1 50 . 1 1 7 7 PRO CB C 13 32.2 . . 1 . . . . 26 PRO CB . 17938 1 51 . 1 1 8 8 LEU H H 1 8.2 . . 1 . . . . 27 LEU H . 17938 1 52 . 1 1 8 8 LEU HA H 1 4.2 . . 1 . . . . 27 LEU HA . 17938 1 53 . 1 1 8 8 LEU HB2 H 1 1.4 . . . . . . . 27 LEU HB2 . 17938 1 54 . 1 1 8 8 LEU C C 13 175.4 . . 1 . . . . 27 LEU C . 17938 1 55 . 1 1 8 8 LEU CA C 13 54.9 . . 1 . . . . 27 LEU CA . 17938 1 56 . 1 1 8 8 LEU CB C 13 42.8 . . 1 . . . . 27 LEU CB . 17938 1 57 . 1 1 8 8 LEU N N 15 122.8 . . 1 . . . . 27 LEU N . 17938 1 58 . 1 1 9 9 ARG H H 1 8.4 . . 1 . . . . 28 ARG H . 17938 1 59 . 1 1 9 9 ARG HA H 1 4.5 . . 1 . . . . 28 ARG HA . 17938 1 60 . 1 1 9 9 ARG HB2 H 1 1.8 . . . . . . . 28 ARG HB2 . 17938 1 61 . 1 1 9 9 ARG HB3 H 1 1.7 . . . . . . . 28 ARG HB3 . 17938 1 62 . 1 1 9 9 ARG C C 13 176.0 . . 1 . . . . 28 ARG C . 17938 1 63 . 1 1 9 9 ARG CA C 13 53.9 . . 1 . . . . 28 ARG CA . 17938 1 64 . 1 1 9 9 ARG CB C 13 33.1 . . 1 . . . . 28 ARG CB . 17938 1 65 . 1 1 9 9 ARG N N 15 122.9 . . 1 . . . . 28 ARG N . 17938 1 66 . 1 1 10 10 VAL H H 1 8.6 . . 1 . . . . 29 VAL H . 17938 1 67 . 1 1 10 10 VAL HA H 1 3.3 . . 1 . . . . 29 VAL HA . 17938 1 68 . 1 1 10 10 VAL HB H 1 1.9 . . 1 . . . . 29 VAL HB . 17938 1 69 . 1 1 10 10 VAL C C 13 177.0 . . 1 . . . . 29 VAL C . 17938 1 70 . 1 1 10 10 VAL CA C 13 66.0 . . 1 . . . . 29 VAL CA . 17938 1 71 . 1 1 10 10 VAL CB C 13 30.8 . . 1 . . . . 29 VAL CB . 17938 1 72 . 1 1 10 10 VAL N N 15 122.6 . . 1 . . . . 29 VAL N . 17938 1 73 . 1 1 11 11 GLY H H 1 8.9 . . 1 . . . . 30 GLY H . 17938 1 74 . 1 1 11 11 GLY HA2 H 1 4.6 . . . . . . . 30 GLY HA2 . 17938 1 75 . 1 1 11 11 GLY HA3 H 1 3.4 . . . . . . . 30 GLY HA3 . 17938 1 76 . 1 1 11 11 GLY C C 13 174.8 . . 1 . . . . 30 GLY C . 17938 1 77 . 1 1 11 11 GLY CA C 13 44.7 . . 1 . . . . 30 GLY CA . 17938 1 78 . 1 1 11 11 GLY N N 15 116.8 . . 1 . . . . 30 GLY N . 17938 1 79 . 1 1 12 12 SER H H 1 8.2 . . 1 . . . . 31 SER H . 17938 1 80 . 1 1 12 12 SER HA H 1 4.3 . . 1 . . . . 31 SER HA . 17938 1 81 . 1 1 12 12 SER HB2 H 1 3.9 . . . . . . . 31 SER HB2 . 17938 1 82 . 1 1 12 12 SER HB3 H 1 3.8 . . . . . . . 31 SER HB3 . 17938 1 83 . 1 1 12 12 SER C C 13 173.0 . . 1 . . . . 31 SER C . 17938 1 84 . 1 1 12 12 SER CA C 13 61.1 . . 1 . . . . 31 SER CA . 17938 1 85 . 1 1 12 12 SER CB C 13 63.8 . . 1 . . . . 31 SER CB . 17938 1 86 . 1 1 12 12 SER N N 15 118.0 . . 1 . . . . 31 SER N . 17938 1 87 . 1 1 13 13 ARG H H 1 8.9 . . 1 . . . . 32 ARG H . 17938 1 88 . 1 1 13 13 ARG HA H 1 5.0 . . 1 . . . . 32 ARG HA . 17938 1 89 . 1 1 13 13 ARG HB2 H 1 1.7 . . . . . . . 32 ARG HB2 . 17938 1 90 . 1 1 13 13 ARG C C 13 176.1 . . 1 . . . . 32 ARG C . 17938 1 91 . 1 1 13 13 ARG CA C 13 53.4 . . 1 . . . . 32 ARG CA . 17938 1 92 . 1 1 13 13 ARG CB C 13 28.7 . . 1 . . . . 32 ARG CB . 17938 1 93 . 1 1 13 13 ARG N N 15 125.2 . . 1 . . . . 32 ARG N . 17938 1 94 . 1 1 14 14 VAL H H 1 8.7 . . 1 . . . . 33 VAL H . 17938 1 95 . 1 1 14 14 VAL HA H 1 5.5 . . 1 . . . . 33 VAL HA . 17938 1 96 . 1 1 14 14 VAL HB H 1 1.9 . . 1 . . . . 33 VAL HB . 17938 1 97 . 1 1 14 14 VAL C C 13 174.1 . . 1 . . . . 33 VAL C . 17938 1 98 . 1 1 14 14 VAL CA C 13 57.9 . . 1 . . . . 33 VAL CA . 17938 1 99 . 1 1 14 14 VAL CB C 13 37.3 . . 1 . . . . 33 VAL CB . 17938 1 100 . 1 1 14 14 VAL N N 15 112.5 . . 1 . . . . 33 VAL N . 17938 1 101 . 1 1 15 15 GLU H H 1 8.8 . . 1 . . . . 34 GLU H . 17938 1 102 . 1 1 15 15 GLU HA H 1 5.1 . . 1 . . . . 34 GLU HA . 17938 1 103 . 1 1 15 15 GLU HB2 H 1 1.8 . . . . . . . 34 GLU HB2 . 17938 1 104 . 1 1 15 15 GLU C C 13 175.8 . . 1 . . . . 34 GLU C . 17938 1 105 . 1 1 15 15 GLU CA C 13 53.8 . . 1 . . . . 34 GLU CA . 17938 1 106 . 1 1 15 15 GLU CB C 13 34.1 . . 1 . . . . 34 GLU CB . 17938 1 107 . 1 1 15 15 GLU N N 15 118.9 . . 1 . . . . 34 GLU N . 17938 1 108 . 1 1 16 16 VAL H H 1 8.6 . . 1 . . . . 35 VAL H . 17938 1 109 . 1 1 16 16 VAL HA H 1 4.2 . . 1 . . . . 35 VAL HA . 17938 1 110 . 1 1 16 16 VAL HB H 1 1.9 . . 1 . . . . 35 VAL HB . 17938 1 111 . 1 1 16 16 VAL C C 13 175.9 . . 1 . . . . 35 VAL C . 17938 1 112 . 1 1 16 16 VAL CA C 13 62.8 . . 1 . . . . 35 VAL CA . 17938 1 113 . 1 1 16 16 VAL CB C 13 31.8 . . 1 . . . . 35 VAL CB . 17938 1 114 . 1 1 16 16 VAL N N 15 124.4 . . 1 . . . . 35 VAL N . 17938 1 115 . 1 1 17 17 ILE H H 1 8.3 . . 1 . . . . 36 ILE H . 17938 1 116 . 1 1 17 17 ILE HA H 1 3.7 . . 1 . . . . 36 ILE HA . 17938 1 117 . 1 1 17 17 ILE HB H 1 1.5 . . 1 . . . . 36 ILE HB . 17938 1 118 . 1 1 17 17 ILE C C 13 177.8 . . 1 . . . . 36 ILE C . 17938 1 119 . 1 1 17 17 ILE CA C 13 63.9 . . 1 . . . . 36 ILE CA . 17938 1 120 . 1 1 17 17 ILE CB C 13 38.0 . . 1 . . . . 36 ILE CB . 17938 1 121 . 1 1 17 17 ILE N N 15 132.0 . . 1 . . . . 36 ILE N . 17938 1 122 . 1 1 18 18 GLY H H 1 9.1 . . 1 . . . . 37 GLY H . 17938 1 123 . 1 1 18 18 GLY HA2 H 1 4.3 . . . . . . . 37 GLY HA2 . 17938 1 124 . 1 1 18 18 GLY HA3 H 1 3.6 . . . . . . . 37 GLY HA3 . 17938 1 125 . 1 1 18 18 GLY C C 13 174.3 . . 1 . . . . 37 GLY C . 17938 1 126 . 1 1 18 18 GLY CA C 13 45.6 . . 1 . . . . 37 GLY CA . 17938 1 127 . 1 1 18 18 GLY N N 15 117.4 . . 1 . . . . 37 GLY N . 17938 1 128 . 1 1 19 19 LYS H H 1 7.6 . . 1 . . . . 38 LYS H . 17938 1 129 . 1 1 19 19 LYS HA H 1 4.3 . . 1 . . . . 38 LYS HA . 17938 1 130 . 1 1 19 19 LYS HB2 H 1 1.1 . . . . . . . 38 LYS HB2 . 17938 1 131 . 1 1 19 19 LYS C C 13 177.3 . . 1 . . . . 38 LYS C . 17938 1 132 . 1 1 19 19 LYS CA C 13 55.6 . . 1 . . . . 38 LYS CA . 17938 1 133 . 1 1 19 19 LYS CB C 13 34.3 . . 1 . . . . 38 LYS CB . 17938 1 134 . 1 1 19 19 LYS N N 15 117.4 . . 1 . . . . 38 LYS N . 17938 1 135 . 1 1 20 20 GLY H H 1 8.2 . . 1 . . . . 39 GLY H . 17938 1 136 . 1 1 20 20 GLY HA2 H 1 4.0 . . . . . . . 39 GLY HA2 . 17938 1 137 . 1 1 20 20 GLY HA3 H 1 3.7 . . . . . . . 39 GLY HA3 . 17938 1 138 . 1 1 20 20 GLY C C 13 173.7 . . 1 . . . . 39 GLY C . 17938 1 139 . 1 1 20 20 GLY CA C 13 45.4 . . 1 . . . . 39 GLY CA . 17938 1 140 . 1 1 20 20 GLY N N 15 105.7 . . 1 . . . . 39 GLY N . 17938 1 141 . 1 1 21 21 HIS H H 1 6.2 . . 1 . . . . 40 HIS H . 17938 1 142 . 1 1 21 21 HIS HA H 1 4.7 . . 1 . . . . 40 HIS HA . 17938 1 143 . 1 1 21 21 HIS HB2 H 1 3.3 . . . . . . . 40 HIS HB2 . 17938 1 144 . 1 1 21 21 HIS HB3 H 1 2.7 . . . . . . . 40 HIS HB3 . 17938 1 145 . 1 1 21 21 HIS C C 13 175.1 . . 1 . . . . 40 HIS C . 17938 1 146 . 1 1 21 21 HIS CA C 13 54.9 . . 1 . . . . 40 HIS CA . 17938 1 147 . 1 1 21 21 HIS CB C 13 31.9 . . 1 . . . . 40 HIS CB . 17938 1 148 . 1 1 21 21 HIS N N 15 116.1 . . 1 . . . . 40 HIS N . 17938 1 149 . 1 1 22 22 ARG H H 1 8.9 . . 1 . . . . 41 ARG H . 17938 1 150 . 1 1 22 22 ARG HA H 1 5.5 . . 1 . . . . 41 ARG HA . 17938 1 151 . 1 1 22 22 ARG HB2 H 1 1.8 . . . . . . . 41 ARG HB2 . 17938 1 152 . 1 1 22 22 ARG C C 13 177.3 . . 1 . . . . 41 ARG C . 17938 1 153 . 1 1 22 22 ARG CA C 13 55.1 . . 1 . . . . 41 ARG CA . 17938 1 154 . 1 1 22 22 ARG CB C 13 32.5 . . 1 . . . . 41 ARG CB . 17938 1 155 . 1 1 22 22 ARG N N 15 122.6 . . 1 . . . . 41 ARG N . 17938 1 156 . 1 1 23 23 GLY H H 1 8.9 . . 1 . . . . 42 GLY H . 17938 1 157 . 1 1 23 23 GLY HA2 H 1 4.5 . . . . . . . 42 GLY HA2 . 17938 1 158 . 1 1 23 23 GLY HA3 H 1 3.9 . . . . . . . 42 GLY HA3 . 17938 1 159 . 1 1 23 23 GLY C C 13 170.9 . . 1 . . . . 42 GLY C . 17938 1 160 . 1 1 23 23 GLY CA C 13 47.0 . . 1 . . . . 42 GLY CA . 17938 1 161 . 1 1 23 23 GLY N N 15 107.4 . . 1 . . . . 42 GLY N . 17938 1 162 . 1 1 24 24 THR H H 1 8.5 . . 1 . . . . 43 THR H . 17938 1 163 . 1 1 24 24 THR HA H 1 5.1 . . 1 . . . . 43 THR HA . 17938 1 164 . 1 1 24 24 THR HB H 1 3.7 . . 1 . . . . 43 THR HB . 17938 1 165 . 1 1 24 24 THR C C 13 174.3 . . 1 . . . . 43 THR C . 17938 1 166 . 1 1 24 24 THR CA C 13 60.6 . . 1 . . . . 43 THR CA . 17938 1 167 . 1 1 24 24 THR CB C 13 71.3 . . 1 . . . . 43 THR CB . 17938 1 168 . 1 1 24 24 THR N N 15 116.9 . . 1 . . . . 43 THR N . 17938 1 169 . 1 1 25 25 VAL H H 1 9.3 . . 1 . . . . 44 VAL H . 17938 1 170 . 1 1 25 25 VAL HA H 1 3.6 . . 1 . . . . 44 VAL HA . 17938 1 171 . 1 1 25 25 VAL HB H 1 2.3 . . 1 . . . . 44 VAL HB . 17938 1 172 . 1 1 25 25 VAL C C 13 175.5 . . 1 . . . . 44 VAL C . 17938 1 173 . 1 1 25 25 VAL CA C 13 65.0 . . 1 . . . . 44 VAL CA . 17938 1 174 . 1 1 25 25 VAL CB C 13 31.4 . . 1 . . . . 44 VAL CB . 17938 1 175 . 1 1 25 25 VAL N N 15 127.6 . . 1 . . . . 44 VAL N . 17938 1 176 . 1 1 26 26 ALA H H 1 9.1 . . 1 . . . . 45 ALA H . 17938 1 177 . 1 1 26 26 ALA HA H 1 4.6 . . 1 . . . . 45 ALA HA . 17938 1 178 . 1 1 26 26 ALA HB1 H 1 0.7 . . 1 . . . . 45 ALA MB . 17938 1 179 . 1 1 26 26 ALA HB2 H 1 0.7 . . 1 . . . . 45 ALA MB . 17938 1 180 . 1 1 26 26 ALA HB3 H 1 0.7 . . 1 . . . . 45 ALA MB . 17938 1 181 . 1 1 26 26 ALA C C 13 175.8 . . 1 . . . . 45 ALA C . 17938 1 182 . 1 1 26 26 ALA CA C 13 51.6 . . 1 . . . . 45 ALA CA . 17938 1 183 . 1 1 26 26 ALA CB C 13 21.8 . . 1 . . . . 45 ALA CB . 17938 1 184 . 1 1 26 26 ALA N N 15 131.9 . . 1 . . . . 45 ALA N . 17938 1 185 . 1 1 27 27 TYR H H 1 7.6 . . 1 . . . . 46 TYR H . 17938 1 186 . 1 1 27 27 TYR HA H 1 4.5 . . 1 . . . . 46 TYR HA . 17938 1 187 . 1 1 27 27 TYR HB2 H 1 3.3 . . . . . . . 46 TYR HB2 . 17938 1 188 . 1 1 27 27 TYR HB3 H 1 2.3 . . . . . . . 46 TYR HB3 . 17938 1 189 . 1 1 27 27 TYR C C 13 172.9 . . 1 . . . . 46 TYR C . 17938 1 190 . 1 1 27 27 TYR CA C 13 58.5 . . 1 . . . . 46 TYR CA . 17938 1 191 . 1 1 27 27 TYR CB C 13 43.1 . . 1 . . . . 46 TYR CB . 17938 1 192 . 1 1 27 27 TYR N N 15 119.6 . . 1 . . . . 46 TYR N . 17938 1 193 . 1 1 28 28 VAL H H 1 8.1 . . 1 . . . . 47 VAL H . 17938 1 194 . 1 1 28 28 VAL HA H 1 4.8 . . 1 . . . . 47 VAL HA . 17938 1 195 . 1 1 28 28 VAL HB H 1 1.8 . . 1 . . . . 47 VAL HB . 17938 1 196 . 1 1 28 28 VAL C C 13 174.5 . . 1 . . . . 47 VAL C . 17938 1 197 . 1 1 28 28 VAL CA C 13 61.5 . . 1 . . . . 47 VAL CA . 17938 1 198 . 1 1 28 28 VAL CB C 13 35.1 . . 1 . . . . 47 VAL CB . 17938 1 199 . 1 1 28 28 VAL N N 15 128.0 . . 1 . . . . 47 VAL N . 17938 1 200 . 1 1 29 29 GLY H H 1 8.9 . . 1 . . . . 48 GLY H . 17938 1 201 . 1 1 29 29 GLY HA2 H 1 4.4 . . . . . . . 48 GLY HA2 . 17938 1 202 . 1 1 29 29 GLY HA3 H 1 3.9 . . . . . . . 48 GLY HA3 . 17938 1 203 . 1 1 29 29 GLY C C 13 171.9 . . 1 . . . . 48 GLY C . 17938 1 204 . 1 1 29 29 GLY CA C 13 45.0 . . 1 . . . . 48 GLY CA . 17938 1 205 . 1 1 29 29 GLY N N 15 112.9 . . 1 . . . . 48 GLY N . 17938 1 206 . 1 1 30 30 ALA H H 1 8.7 . . 1 . . . . 49 ALA H . 17938 1 207 . 1 1 30 30 ALA HA H 1 4.9 . . 1 . . . . 49 ALA HA . 17938 1 208 . 1 1 30 30 ALA HB1 H 1 1.5 . . 1 . . . . 49 ALA MB . 17938 1 209 . 1 1 30 30 ALA HB2 H 1 1.5 . . 1 . . . . 49 ALA MB . 17938 1 210 . 1 1 30 30 ALA HB3 H 1 1.5 . . 1 . . . . 49 ALA MB . 17938 1 211 . 1 1 30 30 ALA C C 13 178.5 . . 1 . . . . 49 ALA C . 17938 1 212 . 1 1 30 30 ALA CA C 13 51.6 . . 1 . . . . 49 ALA CA . 17938 1 213 . 1 1 30 30 ALA CB C 13 20.1 . . 1 . . . . 49 ALA CB . 17938 1 214 . 1 1 30 30 ALA N N 15 123.6 . . 1 . . . . 49 ALA N . 17938 1 215 . 1 1 31 31 THR H H 1 10.1 . . 1 . . . . 50 THR H . 17938 1 216 . 1 1 31 31 THR HA H 1 4.8 . . 1 . . . . 50 THR HA . 17938 1 217 . 1 1 31 31 THR HB H 1 3.1 . . 1 . . . . 50 THR HB . 17938 1 218 . 1 1 31 31 THR C C 13 173.2 . . 1 . . . . 50 THR C . 17938 1 219 . 1 1 31 31 THR CA C 13 59.3 . . 1 . . . . 50 THR CA . 17938 1 220 . 1 1 31 31 THR CB C 13 72.2 . . 1 . . . . 50 THR CB . 17938 1 221 . 1 1 31 31 THR N N 15 112.1 . . 1 . . . . 50 THR N . 17938 1 222 . 1 1 32 32 LEU H H 1 7.7 . . 1 . . . . 51 LEU H . 17938 1 223 . 1 1 32 32 LEU HA H 1 4.4 . . 1 . . . . 51 LEU HA . 17938 1 224 . 1 1 32 32 LEU HB2 H 1 1.7 . . . . . . . 51 LEU HB2 . 17938 1 225 . 1 1 32 32 LEU C C 13 177.7 . . 1 . . . . 51 LEU C . 17938 1 226 . 1 1 32 32 LEU CA C 13 54.7 . . 1 . . . . 51 LEU CA . 17938 1 227 . 1 1 32 32 LEU CB C 13 41.9 . . 1 . . . . 51 LEU CB . 17938 1 228 . 1 1 32 32 LEU N N 15 113.4 . . 1 . . . . 51 LEU N . 17938 1 229 . 1 1 33 33 PHE H H 1 6.4 . . 1 . . . . 52 PHE H . 17938 1 230 . 1 1 33 33 PHE HA H 1 4.6 . . 1 . . . . 52 PHE HA . 17938 1 231 . 1 1 33 33 PHE HB2 H 1 3.1 . . . . . . . 52 PHE HB2 . 17938 1 232 . 1 1 33 33 PHE HB3 H 1 2.5 . . . . . . . 52 PHE HB3 . 17938 1 233 . 1 1 33 33 PHE C C 13 174.2 . . 1 . . . . 52 PHE C . 17938 1 234 . 1 1 33 33 PHE CA C 13 56.2 . . 1 . . . . 52 PHE CA . 17938 1 235 . 1 1 33 33 PHE CB C 13 38.6 . . 1 . . . . 52 PHE CB . 17938 1 236 . 1 1 33 33 PHE N N 15 111.5 . . 1 . . . . 52 PHE N . 17938 1 237 . 1 1 34 34 ALA H H 1 6.8 . . 1 . . . . 53 ALA H . 17938 1 238 . 1 1 34 34 ALA HA H 1 4.6 . . 1 . . . . 53 ALA HA . 17938 1 239 . 1 1 34 34 ALA HB1 H 1 1.6 . . 1 . . . . 53 ALA MB . 17938 1 240 . 1 1 34 34 ALA HB2 H 1 1.6 . . 1 . . . . 53 ALA MB . 17938 1 241 . 1 1 34 34 ALA HB3 H 1 1.6 . . 1 . . . . 53 ALA MB . 17938 1 242 . 1 1 34 34 ALA C C 13 176.0 . . 1 . . . . 53 ALA C . 17938 1 243 . 1 1 34 34 ALA CA C 13 51.9 . . 1 . . . . 53 ALA CA . 17938 1 244 . 1 1 34 34 ALA CB C 13 22.2 . . 1 . . . . 53 ALA CB . 17938 1 245 . 1 1 34 34 ALA N N 15 123.2 . . 1 . . . . 53 ALA N . 17938 1 246 . 1 1 35 35 THR H H 1 8.4 . . 1 . . . . 54 THR H . 17938 1 247 . 1 1 35 35 THR HA H 1 4.5 . . 1 . . . . 54 THR HA . 17938 1 248 . 1 1 35 35 THR C C 13 176.1 . . 1 . . . . 54 THR C . 17938 1 249 . 1 1 35 35 THR CA C 13 61.9 . . 1 . . . . 54 THR CA . 17938 1 250 . 1 1 35 35 THR CB C 13 70.7 . . 1 . . . . 54 THR CB . 17938 1 251 . 1 1 35 35 THR N N 15 110.5 . . 1 . . . . 54 THR N . 17938 1 252 . 1 1 36 36 GLY H H 1 8.8 . . 1 . . . . 55 GLY H . 17938 1 253 . 1 1 36 36 GLY HA2 H 1 4.0 . . . . . . . 55 GLY HA2 . 17938 1 254 . 1 1 36 36 GLY HA3 H 1 3.9 . . . . . . . 55 GLY HA3 . 17938 1 255 . 1 1 36 36 GLY C C 13 172.4 . . 1 . . . . 55 GLY C . 17938 1 256 . 1 1 36 36 GLY CA C 13 44.9 . . 1 . . . . 55 GLY CA . 17938 1 257 . 1 1 36 36 GLY N N 15 109.2 . . 1 . . . . 55 GLY N . 17938 1 258 . 1 1 37 37 LYS H H 1 8.5 . . 1 . . . . 56 LYS H . 17938 1 259 . 1 1 37 37 LYS HA H 1 4.2 . . 1 . . . . 56 LYS HA . 17938 1 260 . 1 1 37 37 LYS HB2 H 1 1.6 . . . . . . . 56 LYS HB2 . 17938 1 261 . 1 1 37 37 LYS C C 13 176.4 . . 1 . . . . 56 LYS C . 17938 1 262 . 1 1 37 37 LYS CA C 13 56.6 . . 1 . . . . 56 LYS CA . 17938 1 263 . 1 1 37 37 LYS CB C 13 33.5 . . 1 . . . . 56 LYS CB . 17938 1 264 . 1 1 37 37 LYS N N 15 120.9 . . 1 . . . . 56 LYS N . 17938 1 265 . 1 1 38 38 TRP H H 1 9.1 . . 1 . . . . 57 TRP H . 17938 1 266 . 1 1 38 38 TRP HA H 1 4.8 . . 1 . . . . 57 TRP HA . 17938 1 267 . 1 1 38 38 TRP HB2 H 1 3.3 . . . . . . . 57 TRP HB2 . 17938 1 268 . 1 1 38 38 TRP HB3 H 1 3.0 . . . . . . . 57 TRP HB3 . 17938 1 269 . 1 1 38 38 TRP C C 13 173.7 . . 1 . . . . 57 TRP C . 17938 1 270 . 1 1 38 38 TRP CA C 13 56.6 . . 1 . . . . 57 TRP CA . 17938 1 271 . 1 1 38 38 TRP CB C 13 34.1 . . 1 . . . . 57 TRP CB . 17938 1 272 . 1 1 38 38 TRP N N 15 128.7 . . 1 . . . . 57 TRP N . 17938 1 273 . 1 1 39 39 VAL H H 1 9.5 . . 1 . . . . 58 VAL H . 17938 1 274 . 1 1 39 39 VAL HA H 1 5.0 . . 1 . . . . 58 VAL HA . 17938 1 275 . 1 1 39 39 VAL HB H 1 2.0 . . 1 . . . . 58 VAL HB . 17938 1 276 . 1 1 39 39 VAL C C 13 176.3 . . 1 . . . . 58 VAL C . 17938 1 277 . 1 1 39 39 VAL CA C 13 60.8 . . 1 . . . . 58 VAL CA . 17938 1 278 . 1 1 39 39 VAL CB C 13 33.1 . . 1 . . . . 58 VAL CB . 17938 1 279 . 1 1 39 39 VAL N N 15 119.7 . . 1 . . . . 58 VAL N . 17938 1 280 . 1 1 40 40 GLY H H 1 10.0 . . 1 . . . . 59 GLY H . 17938 1 281 . 1 1 40 40 GLY HA2 H 1 4.5 . . . . . . . 59 GLY HA2 . 17938 1 282 . 1 1 40 40 GLY HA3 H 1 2.7 . . . . . . . 59 GLY HA3 . 17938 1 283 . 1 1 40 40 GLY C C 13 172.1 . . 1 . . . . 59 GLY C . 17938 1 284 . 1 1 40 40 GLY CA C 13 45.7 . . 1 . . . . 59 GLY CA . 17938 1 285 . 1 1 40 40 GLY N N 15 115.5 . . 1 . . . . 59 GLY N . 17938 1 286 . 1 1 41 41 VAL H H 1 9.1 . . 1 . . . . 60 VAL H . 17938 1 287 . 1 1 41 41 VAL HA H 1 4.1 . . 1 . . . . 60 VAL HA . 17938 1 288 . 1 1 41 41 VAL HB H 1 1.7 . . 1 . . . . 60 VAL HB . 17938 1 289 . 1 1 41 41 VAL C C 13 173.1 . . 1 . . . . 60 VAL C . 17938 1 290 . 1 1 41 41 VAL CA C 13 60.6 . . 1 . . . . 60 VAL CA . 17938 1 291 . 1 1 41 41 VAL CB C 13 34.9 . . 1 . . . . 60 VAL CB . 17938 1 292 . 1 1 41 41 VAL N N 15 128.4 . . 1 . . . . 60 VAL N . 17938 1 293 . 1 1 42 42 ILE H H 1 8.6 . . 1 . . . . 61 ILE H . 17938 1 294 . 1 1 42 42 ILE HA H 1 4.3 . . 1 . . . . 61 ILE HA . 17938 1 295 . 1 1 42 42 ILE HB H 1 1.7 . . 1 . . . . 61 ILE HB . 17938 1 296 . 1 1 42 42 ILE C C 13 177.4 . . 1 . . . . 61 ILE C . 17938 1 297 . 1 1 42 42 ILE CA C 13 60.4 . . 1 . . . . 61 ILE CA . 17938 1 298 . 1 1 42 42 ILE CB C 13 38.7 . . 1 . . . . 61 ILE CB . 17938 1 299 . 1 1 42 42 ILE N N 15 124.6 . . 1 . . . . 61 ILE N . 17938 1 300 . 1 1 43 43 LEU H H 1 10.1 . . 1 . . . . 62 LEU H . 17938 1 301 . 1 1 43 43 LEU HA H 1 4.6 . . 1 . . . . 62 LEU HA . 17938 1 302 . 1 1 43 43 LEU HB2 H 1 2.2 . . . . . . . 62 LEU HB2 . 17938 1 303 . 1 1 43 43 LEU HB3 H 1 1.9 . . . . . . . 62 LEU HB3 . 17938 1 304 . 1 1 43 43 LEU C C 13 177.7 . . 1 . . . . 62 LEU C . 17938 1 305 . 1 1 43 43 LEU CA C 13 55.4 . . 1 . . . . 62 LEU CA . 17938 1 306 . 1 1 43 43 LEU CB C 13 41.7 . . 1 . . . . 62 LEU CB . 17938 1 307 . 1 1 43 43 LEU N N 15 132.3 . . 1 . . . . 62 LEU N . 17938 1 308 . 1 1 44 44 ASP H H 1 9.0 . . 1 . . . . 63 ASP H . 17938 1 309 . 1 1 44 44 ASP HA H 1 4.4 . . 1 . . . . 63 ASP HA . 17938 1 310 . 1 1 44 44 ASP HB2 H 1 2.9 . . . . . . . 63 ASP HB2 . 17938 1 311 . 1 1 44 44 ASP HB3 H 1 2.7 . . . . . . . 63 ASP HB3 . 17938 1 312 . 1 1 44 44 ASP C C 13 177.5 . . 1 . . . . 63 ASP C . 17938 1 313 . 1 1 44 44 ASP CA C 13 57.2 . . 1 . . . . 63 ASP CA . 17938 1 314 . 1 1 44 44 ASP CB C 13 39.9 . . 1 . . . . 63 ASP CB . 17938 1 315 . 1 1 44 44 ASP N N 15 125.0 . . 1 . . . . 63 ASP N . 17938 1 316 . 1 1 45 45 GLU H H 1 8.7 . . 1 . . . . 64 GLU H . 17938 1 317 . 1 1 45 45 GLU HA H 1 4.5 . . 1 . . . . 64 GLU HA . 17938 1 318 . 1 1 45 45 GLU HB2 H 1 1.9 . . . . . . . 64 GLU HB2 . 17938 1 319 . 1 1 45 45 GLU HB3 H 1 1.6 . . . . . . . 64 GLU HB3 . 17938 1 320 . 1 1 45 45 GLU C C 13 176.6 . . 1 . . . . 64 GLU C . 17938 1 321 . 1 1 45 45 GLU CA C 13 54.3 . . 1 . . . . 64 GLU CA . 17938 1 322 . 1 1 45 45 GLU CB C 13 32.8 . . 1 . . . . 64 GLU CB . 17938 1 323 . 1 1 45 45 GLU N N 15 117.6 . . 1 . . . . 64 GLU N . 17938 1 324 . 1 1 46 46 ALA H H 1 8.5 . . 1 . . . . 65 ALA H . 17938 1 325 . 1 1 46 46 ALA HA H 1 3.3 . . 1 . . . . 65 ALA HA . 17938 1 326 . 1 1 46 46 ALA HB1 H 1 1.0 . . 1 . . . . 65 ALA MB . 17938 1 327 . 1 1 46 46 ALA HB2 H 1 1.0 . . 1 . . . . 65 ALA MB . 17938 1 328 . 1 1 46 46 ALA HB3 H 1 1.0 . . 1 . . . . 65 ALA MB . 17938 1 329 . 1 1 46 46 ALA C C 13 177.5 . . 1 . . . . 65 ALA C . 17938 1 330 . 1 1 46 46 ALA CA C 13 50.8 . . 1 . . . . 65 ALA CA . 17938 1 331 . 1 1 46 46 ALA CB C 13 15.4 . . 1 . . . . 65 ALA CB . 17938 1 332 . 1 1 46 46 ALA N N 15 125.0 . . 1 . . . . 65 ALA N . 17938 1 333 . 1 1 47 47 LYS H H 1 7.8 . . 1 . . . . 66 LYS H . 17938 1 334 . 1 1 47 47 LYS HA H 1 4.5 . . 1 . . . . 66 LYS HA . 17938 1 335 . 1 1 47 47 LYS HB2 H 1 1.7 . . . . . . . 66 LYS HB2 . 17938 1 336 . 1 1 47 47 LYS HB3 H 1 0.7 . . . . . . . 66 LYS HB3 . 17938 1 337 . 1 1 47 47 LYS C C 13 175.9 . . 1 . . . . 66 LYS C . 17938 1 338 . 1 1 47 47 LYS CA C 13 53.8 . . 1 . . . . 66 LYS CA . 17938 1 339 . 1 1 47 47 LYS CB C 13 33.2 . . 1 . . . . 66 LYS CB . 17938 1 340 . 1 1 47 47 LYS N N 15 122.3 . . 1 . . . . 66 LYS N . 17938 1 341 . 1 1 48 48 GLY H H 1 8.5 . . 1 . . . . 67 GLY H . 17938 1 342 . 1 1 48 48 GLY HA2 H 1 4.6 . . . . . . . 67 GLY HA2 . 17938 1 343 . 1 1 48 48 GLY HA3 H 1 3.9 . . . . . . . 67 GLY HA3 . 17938 1 344 . 1 1 48 48 GLY C C 13 172.7 . . 1 . . . . 67 GLY C . 17938 1 345 . 1 1 48 48 GLY CA C 13 44.1 . . 1 . . . . 67 GLY CA . 17938 1 346 . 1 1 48 48 GLY N N 15 108.9 . . 1 . . . . 67 GLY N . 17938 1 347 . 1 1 49 49 LYS H H 1 8.3 . . 1 . . . . 68 LYS H . 17938 1 348 . 1 1 49 49 LYS HA H 1 4.6 . . 1 . . . . 68 LYS HA . 17938 1 349 . 1 1 49 49 LYS HB2 H 1 2.0 . . . . . . . 68 LYS HB2 . 17938 1 350 . 1 1 49 49 LYS HB3 H 1 1.8 . . . . . . . 68 LYS HB3 . 17938 1 351 . 1 1 49 49 LYS C C 13 175.7 . . 1 . . . . 68 LYS C . 17938 1 352 . 1 1 49 49 LYS CA C 13 55.9 . . 1 . . . . 68 LYS CA . 17938 1 353 . 1 1 49 49 LYS CB C 13 38.4 . . 1 . . . . 68 LYS CB . 17938 1 354 . 1 1 49 49 LYS N N 15 116.1 . . 1 . . . . 68 LYS N . 17938 1 355 . 1 1 50 50 ASN H H 1 8.5 . . 1 . . . . 69 ASN H . 17938 1 356 . 1 1 50 50 ASN HA H 1 5.2 . . 1 . . . . 69 ASN HA . 17938 1 357 . 1 1 50 50 ASN HB2 H 1 2.9 . . . . . . . 69 ASN HB2 . 17938 1 358 . 1 1 50 50 ASN HB3 H 1 2.8 . . . . . . . 69 ASN HB3 . 17938 1 359 . 1 1 50 50 ASN C C 13 173.1 . . 1 . . . . 69 ASN C . 17938 1 360 . 1 1 50 50 ASN CA C 13 53.3 . . 1 . . . . 69 ASN CA . 17938 1 361 . 1 1 50 50 ASN CB C 13 40.6 . . 1 . . . . 69 ASN CB . 17938 1 362 . 1 1 50 50 ASN N N 15 116.7 . . 1 . . . . 69 ASN N . 17938 1 363 . 1 1 51 51 ASP H H 1 8.1 . . 1 . . . . 70 ASP H . 17938 1 364 . 1 1 51 51 ASP HA H 1 4.7 . . 1 . . . . 70 ASP HA . 17938 1 365 . 1 1 51 51 ASP HB2 H 1 3.5 . . . . . . . 70 ASP HB2 . 17938 1 366 . 1 1 51 51 ASP HB3 H 1 2.3 . . . . . . . 70 ASP HB3 . 17938 1 367 . 1 1 51 51 ASP C C 13 177.7 . . 1 . . . . 70 ASP C . 17938 1 368 . 1 1 51 51 ASP CA C 13 52.9 . . 1 . . . . 70 ASP CA . 17938 1 369 . 1 1 51 51 ASP CB C 13 40.6 . . 1 . . . . 70 ASP CB . 17938 1 370 . 1 1 51 51 ASP N N 15 119.2 . . 1 . . . . 70 ASP N . 17938 1 371 . 1 1 52 52 GLY H H 1 8.8 . . 1 . . . . 71 GLY H . 17938 1 372 . 1 1 52 52 GLY HA2 H 1 3.6 . . . . . . . 71 GLY HA2 . 17938 1 373 . 1 1 52 52 GLY HA3 H 1 1.3 . . . . . . . 71 GLY HA3 . 17938 1 374 . 1 1 52 52 GLY C C 13 174.1 . . 1 . . . . 71 GLY C . 17938 1 375 . 1 1 52 52 GLY CA C 13 43.3 . . 1 . . . . 71 GLY CA . 17938 1 376 . 1 1 52 52 GLY N N 15 110.0 . . 1 . . . . 71 GLY N . 17938 1 377 . 1 1 53 53 THR H H 1 7.8 . . 1 . . . . 72 THR H . 17938 1 378 . 1 1 53 53 THR HA H 1 5.3 . . 1 . . . . 72 THR HA . 17938 1 379 . 1 1 53 53 THR HB H 1 4.1 . . 1 . . . . 72 THR HB . 17938 1 380 . 1 1 53 53 THR C C 13 174.4 . . 1 . . . . 72 THR C . 17938 1 381 . 1 1 53 53 THR CA C 13 61.2 . . 1 . . . . 72 THR CA . 17938 1 382 . 1 1 53 53 THR CB C 13 69.2 . . 1 . . . . 72 THR CB . 17938 1 383 . 1 1 53 53 THR N N 15 117.1 . . 1 . . . . 72 THR N . 17938 1 384 . 1 1 54 54 VAL H H 1 8.4 . . 1 . . . . 73 VAL H . 17938 1 385 . 1 1 54 54 VAL HA H 1 4.1 . . 1 . . . . 73 VAL HA . 17938 1 386 . 1 1 54 54 VAL HB H 1 1.8 . . 1 . . . . 73 VAL HB . 17938 1 387 . 1 1 54 54 VAL C C 13 176.5 . . 1 . . . . 73 VAL C . 17938 1 388 . 1 1 54 54 VAL CA C 13 61.6 . . 1 . . . . 73 VAL CA . 17938 1 389 . 1 1 54 54 VAL CB C 13 36.0 . . 1 . . . . 73 VAL CB . 17938 1 390 . 1 1 54 54 VAL N N 15 122.8 . . 1 . . . . 73 VAL N . 17938 1 391 . 1 1 55 55 GLN H H 1 9.8 . . 1 . . . . 74 GLN H . 17938 1 392 . 1 1 55 55 GLN HA H 1 3.8 . . 1 . . . . 74 GLN HA . 17938 1 393 . 1 1 55 55 GLN HB2 H 1 2.3 . . . . . . . 74 GLN HB2 . 17938 1 394 . 1 1 55 55 GLN HB3 H 1 1.9 . . . . . . . 74 GLN HB3 . 17938 1 395 . 1 1 55 55 GLN C C 13 175.9 . . 1 . . . . 74 GLN C . 17938 1 396 . 1 1 55 55 GLN CA C 13 56.6 . . 1 . . . . 74 GLN CA . 17938 1 397 . 1 1 55 55 GLN CB C 13 27.0 . . 1 . . . . 74 GLN CB . 17938 1 398 . 1 1 55 55 GLN N N 15 129.5 . . 1 . . . . 74 GLN N . 17938 1 399 . 1 1 56 56 GLY H H 1 8.6 . . 1 . . . . 75 GLY H . 17938 1 400 . 1 1 56 56 GLY HA2 H 1 4.0 . . . . . . . 75 GLY HA2 . 17938 1 401 . 1 1 56 56 GLY HA3 H 1 3.5 . . . . . . . 75 GLY HA3 . 17938 1 402 . 1 1 56 56 GLY C C 13 173.1 . . 1 . . . . 75 GLY C . 17938 1 403 . 1 1 56 56 GLY CA C 13 45.4 . . 1 . . . . 75 GLY CA . 17938 1 404 . 1 1 56 56 GLY N N 15 103.7 . . 1 . . . . 75 GLY N . 17938 1 405 . 1 1 57 57 ARG H H 1 7.6 . . 1 . . . . 76 ARG H . 17938 1 406 . 1 1 57 57 ARG HA H 1 4.4 . . 1 . . . . 76 ARG HA . 17938 1 407 . 1 1 57 57 ARG HB2 H 1 1.6 . . . . . . . 76 ARG HB2 . 17938 1 408 . 1 1 57 57 ARG HB3 H 1 1.5 . . . . . . . 76 ARG HB3 . 17938 1 409 . 1 1 57 57 ARG C C 13 172.6 . . 1 . . . . 76 ARG C . 17938 1 410 . 1 1 57 57 ARG CA C 13 53.7 . . 1 . . . . 76 ARG CA . 17938 1 411 . 1 1 57 57 ARG CB C 13 31.2 . . 1 . . . . 76 ARG CB . 17938 1 412 . 1 1 57 57 ARG N N 15 121.9 . . 1 . . . . 76 ARG N . 17938 1 413 . 1 1 58 58 LYS H H 1 8.5 . . 1 . . . . 77 LYS H . 17938 1 414 . 1 1 58 58 LYS HA H 1 4.3 . . 1 . . . . 77 LYS HA . 17938 1 415 . 1 1 58 58 LYS HB2 H 1 1.6 . . . . . . . 77 LYS HB2 . 17938 1 416 . 1 1 58 58 LYS HB3 H 1 1.4 . . . . . . . 77 LYS HB3 . 17938 1 417 . 1 1 58 58 LYS C C 13 175.8 . . 1 . . . . 77 LYS C . 17938 1 418 . 1 1 58 58 LYS CA C 13 56.2 . . 1 . . . . 77 LYS CA . 17938 1 419 . 1 1 58 58 LYS CB C 13 32.4 . . 1 . . . . 77 LYS CB . 17938 1 420 . 1 1 58 58 LYS N N 15 127.3 . . 1 . . . . 77 LYS N . 17938 1 421 . 1 1 59 59 TYR H H 1 8.8 . . 1 . . . . 78 TYR H . 17938 1 422 . 1 1 59 59 TYR HA H 1 4.2 . . 1 . . . . 78 TYR HA . 17938 1 423 . 1 1 59 59 TYR HB2 H 1 2.9 . . . . . . . 78 TYR HB2 . 17938 1 424 . 1 1 59 59 TYR HB3 H 1 2.4 . . . . . . . 78 TYR HB3 . 17938 1 425 . 1 1 59 59 TYR C C 13 174.8 . . 1 . . . . 78 TYR C . 17938 1 426 . 1 1 59 59 TYR CA C 13 60.4 . . 1 . . . . 78 TYR CA . 17938 1 427 . 1 1 59 59 TYR CB C 13 39.6 . . 1 . . . . 78 TYR CB . 17938 1 428 . 1 1 59 59 TYR N N 15 127.5 . . 1 . . . . 78 TYR N . 17938 1 429 . 1 1 60 60 PHE H H 1 8.0 . . 1 . . . . 79 PHE H . 17938 1 430 . 1 1 60 60 PHE HA H 1 4.8 . . 1 . . . . 79 PHE HA . 17938 1 431 . 1 1 60 60 PHE HB2 H 1 3.4 . . . . . . . 79 PHE HB2 . 17938 1 432 . 1 1 60 60 PHE HB3 H 1 3.2 . . . . . . . 79 PHE HB3 . 17938 1 433 . 1 1 60 60 PHE C C 13 172.1 . . 1 . . . . 79 PHE C . 17938 1 434 . 1 1 60 60 PHE CA C 13 55.7 . . 1 . . . . 79 PHE CA . 17938 1 435 . 1 1 60 60 PHE CB C 13 38.7 . . 1 . . . . 79 PHE CB . 17938 1 436 . 1 1 60 60 PHE N N 15 113.8 . . 1 . . . . 79 PHE N . 17938 1 437 . 1 1 61 61 THR H H 1 8.6 . . 1 . . . . 80 THR H . 17938 1 438 . 1 1 61 61 THR HA H 1 4.7 . . 1 . . . . 80 THR HA . 17938 1 439 . 1 1 61 61 THR HB H 1 3.9 . . 1 . . . . 80 THR HB . 17938 1 440 . 1 1 61 61 THR C C 13 172.6 . . 1 . . . . 80 THR C . 17938 1 441 . 1 1 61 61 THR CA C 13 62.3 . . 1 . . . . 80 THR CA . 17938 1 442 . 1 1 61 61 THR CB C 13 71.0 . . 1 . . . . 80 THR CB . 17938 1 443 . 1 1 61 61 THR N N 15 114.6 . . 1 . . . . 80 THR N . 17938 1 444 . 1 1 62 62 CYS H H 1 7.9 . . 1 . . . . 81 CYS H . 17938 1 445 . 1 1 62 62 CYS HA H 1 4.8 . . 1 . . . . 81 CYS HA . 17938 1 446 . 1 1 62 62 CYS HB2 H 1 3.3 . . . . . . . 81 CYS HB2 . 17938 1 447 . 1 1 62 62 CYS HB3 H 1 2.8 . . . . . . . 81 CYS HB3 . 17938 1 448 . 1 1 62 62 CYS C C 13 172.0 . . 1 . . . . 81 CYS C . 17938 1 449 . 1 1 62 62 CYS CA C 13 55.9 . . 1 . . . . 81 CYS CA . 17938 1 450 . 1 1 62 62 CYS CB C 13 31.8 . . 1 . . . . 81 CYS CB . 17938 1 451 . 1 1 62 62 CYS N N 15 120.5 . . 1 . . . . 81 CYS N . 17938 1 452 . 1 1 63 63 ASP H H 1 8.2 . . 1 . . . . 82 ASP H . 17938 1 453 . 1 1 63 63 ASP HA H 1 4.5 . . 1 . . . . 82 ASP HA . 17938 1 454 . 1 1 63 63 ASP HB2 H 1 2.6 . . . . . . . 82 ASP HB2 . 17938 1 455 . 1 1 63 63 ASP HB3 H 1 2.0 . . . . . . . 82 ASP HB3 . 17938 1 456 . 1 1 63 63 ASP C C 13 176.5 . . 1 . . . . 82 ASP C . 17938 1 457 . 1 1 63 63 ASP CA C 13 54.7 . . 1 . . . . 82 ASP CA . 17938 1 458 . 1 1 63 63 ASP CB C 13 41.2 . . 1 . . . . 82 ASP CB . 17938 1 459 . 1 1 63 63 ASP N N 15 118.1 . . 1 . . . . 82 ASP N . 17938 1 460 . 1 1 64 64 GLU H H 1 8.8 . . 1 . . . . 83 GLU H . 17938 1 461 . 1 1 64 64 GLU HA H 1 3.8 . . 1 . . . . 83 GLU HA . 17938 1 462 . 1 1 64 64 GLU HB2 H 1 2.1 . . . . . . . 83 GLU HB2 . 17938 1 463 . 1 1 64 64 GLU HB3 H 1 1.9 . . . . . . . 83 GLU HB3 . 17938 1 464 . 1 1 64 64 GLU C C 13 177.7 . . 1 . . . . 83 GLU C . 17938 1 465 . 1 1 64 64 GLU CA C 13 58.2 . . 1 . . . . 83 GLU CA . 17938 1 466 . 1 1 64 64 GLU CB C 13 29.6 . . 1 . . . . 83 GLU CB . 17938 1 467 . 1 1 64 64 GLU N N 15 121.2 . . 1 . . . . 83 GLU N . 17938 1 468 . 1 1 65 65 GLY H H 1 8.2 . . 1 . . . . 84 GLY H . 17938 1 469 . 1 1 65 65 GLY HA2 H 1 4.1 . . . . . . . 84 GLY HA2 . 17938 1 470 . 1 1 65 65 GLY HA3 H 1 3.3 . . . . . . . 84 GLY HA3 . 17938 1 471 . 1 1 65 65 GLY C C 13 174.4 . . 1 . . . . 84 GLY C . 17938 1 472 . 1 1 65 65 GLY CA C 13 45.3 . . 1 . . . . 84 GLY CA . 17938 1 473 . 1 1 65 65 GLY N N 15 111.7 . . 1 . . . . 84 GLY N . 17938 1 474 . 1 1 66 66 HIS H H 1 8.2 . . 1 . . . . 85 HIS H . 17938 1 475 . 1 1 66 66 HIS HA H 1 4.7 . . 1 . . . . 85 HIS HA . 17938 1 476 . 1 1 66 66 HIS HB2 H 1 3.7 . . . . . . . 85 HIS HB2 . 17938 1 477 . 1 1 66 66 HIS HB3 H 1 3.4 . . . . . . . 85 HIS HB3 . 17938 1 478 . 1 1 66 66 HIS C C 13 173.8 . . 1 . . . . 85 HIS C . 17938 1 479 . 1 1 66 66 HIS CA C 13 56.3 . . 1 . . . . 85 HIS CA . 17938 1 480 . 1 1 66 66 HIS CB C 13 29.2 . . 1 . . . . 85 HIS CB . 17938 1 481 . 1 1 66 66 HIS N N 15 113.7 . . 1 . . . . 85 HIS N . 17938 1 482 . 1 1 67 67 GLY H H 1 9.1 . . 1 . . . . 86 GLY H . 17938 1 483 . 1 1 67 67 GLY HA2 H 1 5.0 . . . . . . . 86 GLY HA2 . 17938 1 484 . 1 1 67 67 GLY HA3 H 1 3.6 . . . . . . . 86 GLY HA3 . 17938 1 485 . 1 1 67 67 GLY C C 13 174.2 . . 1 . . . . 86 GLY C . 17938 1 486 . 1 1 67 67 GLY CA C 13 45.6 . . 1 . . . . 86 GLY CA . 17938 1 487 . 1 1 67 67 GLY N N 15 112.1 . . 1 . . . . 86 GLY N . 17938 1 488 . 1 1 68 68 ILE H H 1 8.9 . . 1 . . . . 87 ILE H . 17938 1 489 . 1 1 68 68 ILE HA H 1 4.8 . . 1 . . . . 87 ILE HA . 17938 1 490 . 1 1 68 68 ILE HB H 1 1.8 . . 1 . . . . 87 ILE HB . 17938 1 491 . 1 1 68 68 ILE C C 13 172.5 . . 1 . . . . 87 ILE C . 17938 1 492 . 1 1 68 68 ILE CA C 13 60.4 . . 1 . . . . 87 ILE CA . 17938 1 493 . 1 1 68 68 ILE CB C 13 43.5 . . 1 . . . . 87 ILE CB . 17938 1 494 . 1 1 68 68 ILE N N 15 119.3 . . 1 . . . . 87 ILE N . 17938 1 495 . 1 1 69 69 PHE H H 1 8.9 . . 1 . . . . 88 PHE H . 17938 1 496 . 1 1 69 69 PHE HA H 1 5.8 . . 1 . . . . 88 PHE HA . 17938 1 497 . 1 1 69 69 PHE HB2 H 1 3.0 . . . . . . . 88 PHE HB2 . 17938 1 498 . 1 1 69 69 PHE HB3 H 1 2.6 . . . . . . . 88 PHE HB3 . 17938 1 499 . 1 1 69 69 PHE C C 13 175.6 . . 1 . . . . 88 PHE C . 17938 1 500 . 1 1 69 69 PHE CA C 13 57.6 . . 1 . . . . 88 PHE CA . 17938 1 501 . 1 1 69 69 PHE CB C 13 41.9 . . 1 . . . . 88 PHE CB . 17938 1 502 . 1 1 69 69 PHE N N 15 122.9 . . 1 . . . . 88 PHE N . 17938 1 503 . 1 1 70 70 VAL H H 1 9.6 . . 1 . . . . 89 VAL H . 17938 1 504 . 1 1 70 70 VAL HA H 1 5.2 . . 1 . . . . 89 VAL HA . 17938 1 505 . 1 1 70 70 VAL HB H 1 2.5 . . 1 . . . . 89 VAL HB . 17938 1 506 . 1 1 70 70 VAL C C 13 175.2 . . 1 . . . . 89 VAL C . 17938 1 507 . 1 1 70 70 VAL CA C 13 58.9 . . 1 . . . . 89 VAL CA . 17938 1 508 . 1 1 70 70 VAL CB C 13 36.5 . . 1 . . . . 89 VAL CB . 17938 1 509 . 1 1 70 70 VAL N N 15 115.3 . . 1 . . . . 89 VAL N . 17938 1 510 . 1 1 71 71 ARG H H 1 8.7 . . 1 . . . . 90 ARG H . 17938 1 511 . 1 1 71 71 ARG HA H 1 4.2 . . 1 . . . . 90 ARG HA . 17938 1 512 . 1 1 71 71 ARG HB2 H 1 2.0 . . . . . . . 90 ARG HB2 . 17938 1 513 . 1 1 71 71 ARG HB3 H 1 1.7 . . . . . . . 90 ARG HB3 . 17938 1 514 . 1 1 71 71 ARG C C 13 178.7 . . 1 . . . . 90 ARG C . 17938 1 515 . 1 1 71 71 ARG CA C 13 53.5 . . 1 . . . . 90 ARG CA . 17938 1 516 . 1 1 71 71 ARG CB C 13 31.5 . . 1 . . . . 90 ARG CB . 17938 1 517 . 1 1 71 71 ARG N N 15 117.9 . . 1 . . . . 90 ARG N . 17938 1 518 . 1 1 72 72 GLN H H 1 9.4 . . 1 . . . . 91 GLN H . 17938 1 519 . 1 1 72 72 GLN HA H 1 3.6 . . 1 . . . . 91 GLN HA . 17938 1 520 . 1 1 72 72 GLN HB2 H 1 1.9 . . . . . . . 91 GLN HB2 . 17938 1 521 . 1 1 72 72 GLN HB3 H 1 1.8 . . . . . . . 91 GLN HB3 . 17938 1 522 . 1 1 72 72 GLN C C 13 176.2 . . 1 . . . . 91 GLN C . 17938 1 523 . 1 1 72 72 GLN CA C 13 59.6 . . 1 . . . . 91 GLN CA . 17938 1 524 . 1 1 72 72 GLN CB C 13 27.8 . . 1 . . . . 91 GLN CB . 17938 1 525 . 1 1 72 72 GLN N N 15 121.9 . . 1 . . . . 91 GLN N . 17938 1 526 . 1 1 73 73 SER H H 1 7.6 . . 1 . . . . 92 SER H . 17938 1 527 . 1 1 73 73 SER HA H 1 4.2 . . 1 . . . . 92 SER HA . 17938 1 528 . 1 1 73 73 SER HB2 H 1 4.0 . . . . . . . 92 SER HB2 . 17938 1 529 . 1 1 73 73 SER HB3 H 1 3.8 . . . . . . . 92 SER HB3 . 17938 1 530 . 1 1 73 73 SER C C 13 175.3 . . 1 . . . . 92 SER C . 17938 1 531 . 1 1 73 73 SER CA C 13 59.2 . . 1 . . . . 92 SER CA . 17938 1 532 . 1 1 73 73 SER CB C 13 62.7 . . 1 . . . . 92 SER CB . 17938 1 533 . 1 1 73 73 SER N N 15 108.9 . . 1 . . . . 92 SER N . 17938 1 534 . 1 1 74 74 GLN H H 1 7.9 . . 1 . . . . 93 GLN H . 17938 1 535 . 1 1 74 74 GLN HA H 1 4.3 . . 1 . . . . 93 GLN HA . 17938 1 536 . 1 1 74 74 GLN HB2 H 1 2.4 . . . . . . . 93 GLN HB2 . 17938 1 537 . 1 1 74 74 GLN C C 13 175.4 . . 1 . . . . 93 GLN C . 17938 1 538 . 1 1 74 74 GLN CA C 13 56.3 . . 1 . . . . 93 GLN CA . 17938 1 539 . 1 1 74 74 GLN CB C 13 30.7 . . 1 . . . . 93 GLN CB . 17938 1 540 . 1 1 74 74 GLN N N 15 118.1 . . 1 . . . . 93 GLN N . 17938 1 541 . 1 1 75 75 ILE H H 1 7.5 . . 1 . . . . 94 ILE H . 17938 1 542 . 1 1 75 75 ILE HA H 1 5.4 . . 1 . . . . 94 ILE HA . 17938 1 543 . 1 1 75 75 ILE HB H 1 1.6 . . 1 . . . . 94 ILE HB . 17938 1 544 . 1 1 75 75 ILE C C 13 173.6 . . 1 . . . . 94 ILE C . 17938 1 545 . 1 1 75 75 ILE CA C 13 58.3 . . 1 . . . . 94 ILE CA . 17938 1 546 . 1 1 75 75 ILE CB C 13 42.8 . . 1 . . . . 94 ILE CB . 17938 1 547 . 1 1 75 75 ILE N N 15 112.9 . . 1 . . . . 94 ILE N . 17938 1 548 . 1 1 76 76 GLN H H 1 8.6 . . 1 . . . . 95 GLN H . 17938 1 549 . 1 1 76 76 GLN HA H 1 4.8 . . 1 . . . . 95 GLN HA . 17938 1 550 . 1 1 76 76 GLN HB2 H 1 1.9 . . . . . . . 95 GLN HB2 . 17938 1 551 . 1 1 76 76 GLN C C 13 175.0 . . 1 . . . . 95 GLN C . 17938 1 552 . 1 1 76 76 GLN CA C 13 53.6 . . 1 . . . . 95 GLN CA . 17938 1 553 . 1 1 76 76 GLN CB C 13 32.5 . . 1 . . . . 95 GLN CB . 17938 1 554 . 1 1 76 76 GLN N N 15 118.8 . . 1 . . . . 95 GLN N . 17938 1 555 . 1 1 77 77 VAL H H 1 8.8 . . 1 . . . . 96 VAL H . 17938 1 556 . 1 1 77 77 VAL HA H 1 4.4 . . 1 . . . . 96 VAL HA . 17938 1 557 . 1 1 77 77 VAL HB H 1 1.9 . . 1 . . . . 96 VAL HB . 17938 1 558 . 1 1 77 77 VAL C C 13 175.9 . . 1 . . . . 96 VAL C . 17938 1 559 . 1 1 77 77 VAL CA C 13 62.5 . . 1 . . . . 96 VAL CA . 17938 1 560 . 1 1 77 77 VAL CB C 13 32.7 . . 1 . . . . 96 VAL CB . 17938 1 561 . 1 1 77 77 VAL N N 15 125.5 . . 1 . . . . 96 VAL N . 17938 1 562 . 1 1 78 78 PHE H H 1 8.4 . . 1 . . . . 97 PHE H . 17938 1 563 . 1 1 78 78 PHE HA H 1 4.8 . . 1 . . . . 97 PHE HA . 17938 1 564 . 1 1 78 78 PHE HB2 H 1 2.9 . . . . . . . 97 PHE HB2 . 17938 1 565 . 1 1 78 78 PHE C C 13 174.3 . . 1 . . . . 97 PHE C . 17938 1 566 . 1 1 78 78 PHE CA C 13 56.8 . . 1 . . . . 97 PHE CA . 17938 1 567 . 1 1 78 78 PHE CB C 13 40.9 . . 1 . . . . 97 PHE CB . 17938 1 568 . 1 1 78 78 PHE N N 15 125.7 . . 1 . . . . 97 PHE N . 17938 1 569 . 1 1 79 79 GLU H H 1 8.4 . . 1 . . . . 98 GLU H . 17938 1 570 . 1 1 79 79 GLU HA H 1 4.3 . . 1 . . . . 98 GLU HA . 17938 1 571 . 1 1 79 79 GLU HB2 H 1 2.0 . . . . . . . 98 GLU HB2 . 17938 1 572 . 1 1 79 79 GLU HB3 H 1 1.8 . . . . . . . 98 GLU HB3 . 17938 1 573 . 1 1 79 79 GLU C C 13 175.4 . . 1 . . . . 98 GLU C . 17938 1 574 . 1 1 79 79 GLU CA C 13 55.9 . . 1 . . . . 98 GLU CA . 17938 1 575 . 1 1 79 79 GLU CB C 13 31.1 . . 1 . . . . 98 GLU CB . 17938 1 576 . 1 1 79 79 GLU N N 15 122.1 . . 1 . . . . 98 GLU N . 17938 1 577 . 1 1 80 80 ASP H H 1 8.5 . . 1 . . . . 99 ASP H . 17938 1 578 . 1 1 80 80 ASP HA H 1 4.6 . . 1 . . . . 99 ASP HA . 17938 1 579 . 1 1 80 80 ASP HB2 H 1 2.7 . . . . . . . 99 ASP HB2 . 17938 1 580 . 1 1 80 80 ASP HB3 H 1 2.6 . . . . . . . 99 ASP HB3 . 17938 1 581 . 1 1 80 80 ASP C C 13 176.8 . . 1 . . . . 99 ASP C . 17938 1 582 . 1 1 80 80 ASP CA C 13 54.5 . . 1 . . . . 99 ASP CA . 17938 1 583 . 1 1 80 80 ASP CB C 13 41.5 . . 1 . . . . 99 ASP CB . 17938 1 584 . 1 1 80 80 ASP N N 15 123.3 . . 1 . . . . 99 ASP N . 17938 1 585 . 1 1 81 81 GLY H H 1 8.5 . . 1 . . . . 100 GLY H . 17938 1 586 . 1 1 81 81 GLY HA2 H 1 3.9 . . . . . . . 100 GLY HA2 . 17938 1 587 . 1 1 81 81 GLY C C 13 174.0 . . 1 . . . . 100 GLY C . 17938 1 588 . 1 1 81 81 GLY CA C 13 45.4 . . 1 . . . . 100 GLY CA . 17938 1 589 . 1 1 81 81 GLY N N 15 110.0 . . 1 . . . . 100 GLY N . 17938 1 590 . 1 1 82 82 ALA H H 1 8.2 . . 1 . . . . 101 ALA H . 17938 1 591 . 1 1 82 82 ALA HA H 1 4.3 . . 1 . . . . 101 ALA HA . 17938 1 592 . 1 1 82 82 ALA HB1 H 1 1.3 . . 1 . . . . 101 ALA MB . 17938 1 593 . 1 1 82 82 ALA HB2 H 1 1.3 . . 1 . . . . 101 ALA MB . 17938 1 594 . 1 1 82 82 ALA HB3 H 1 1.3 . . 1 . . . . 101 ALA MB . 17938 1 595 . 1 1 82 82 ALA C C 13 177.5 . . 1 . . . . 101 ALA C . 17938 1 596 . 1 1 82 82 ALA CA C 13 52.6 . . 1 . . . . 101 ALA CA . 17938 1 597 . 1 1 82 82 ALA CB C 13 19.4 . . 1 . . . . 101 ALA CB . 17938 1 598 . 1 1 82 82 ALA N N 15 123.4 . . 1 . . . . 101 ALA N . 17938 1 599 . 1 1 83 83 ASP H H 1 8.4 . . 1 . . . . 102 ASP H . 17938 1 600 . 1 1 83 83 ASP HA H 1 4.6 . . 1 . . . . 102 ASP HA . 17938 1 601 . 1 1 83 83 ASP HB2 H 1 2.7 . . . . . . . 102 ASP HB2 . 17938 1 602 . 1 1 83 83 ASP HB3 H 1 2.6 . . . . . . . 102 ASP HB3 . 17938 1 603 . 1 1 83 83 ASP C C 13 176.6 . . 1 . . . . 102 ASP C . 17938 1 604 . 1 1 83 83 ASP CA C 13 54.2 . . 1 . . . . 102 ASP CA . 17938 1 605 . 1 1 83 83 ASP CB C 13 40.9 . . 1 . . . . 102 ASP CB . 17938 1 606 . 1 1 83 83 ASP N N 15 119.4 . . 1 . . . . 102 ASP N . 17938 1 607 . 1 1 84 84 THR H H 1 8.1 . . 1 . . . . 103 THR H . 17938 1 608 . 1 1 84 84 THR HA H 1 4.4 . . 1 . . . . 103 THR HA . 17938 1 609 . 1 1 84 84 THR HB H 1 4.3 . . 1 . . . . 103 THR HB . 17938 1 610 . 1 1 84 84 THR C C 13 174.8 . . 1 . . . . 103 THR C . 17938 1 611 . 1 1 84 84 THR CA C 13 61.7 . . 1 . . . . 103 THR CA . 17938 1 612 . 1 1 84 84 THR CB C 13 69.6 . . 1 . . . . 103 THR CB . 17938 1 613 . 1 1 84 84 THR N N 15 114.3 . . 1 . . . . 103 THR N . 17938 1 614 . 1 1 85 85 THR H H 1 8.2 . . 1 . . . . 104 THR H . 17938 1 615 . 1 1 85 85 THR HA H 1 4.3 . . 1 . . . . 104 THR HA . 17938 1 616 . 1 1 85 85 THR HB H 1 4.2 . . 1 . . . . 104 THR HB . 17938 1 617 . 1 1 85 85 THR C C 13 174.4 . . 1 . . . . 104 THR C . 17938 1 618 . 1 1 85 85 THR CA C 13 62.0 . . 1 . . . . 104 THR CA . 17938 1 619 . 1 1 85 85 THR CB C 13 70.1 . . 1 . . . . 104 THR CB . 17938 1 620 . 1 1 85 85 THR N N 15 116.4 . . 1 . . . . 104 THR N . 17938 1 621 . 1 1 86 86 SER H H 1 8.4 . . 1 . . . . 105 SER H . 17938 1 622 . 1 1 86 86 SER C C 13 172.7 . . 1 . . . . 105 SER C . 17938 1 623 . 1 1 86 86 SER N N 15 120.0 . . 1 . . . . 105 SER N . 17938 1 624 . 1 1 87 87 PRO HA H 1 4.4 . . 1 . . . . 106 PRO HA . 17938 1 625 . 1 1 87 87 PRO HB2 H 1 2.2 . . . . . . . 106 PRO HB2 . 17938 1 626 . 1 1 87 87 PRO HB3 H 1 2.0 . . . . . . . 106 PRO HB3 . 17938 1 627 . 1 1 87 87 PRO C C 13 176.1 . . 1 . . . . 106 PRO C . 17938 1 628 . 1 1 87 87 PRO CA C 13 63.4 . . 1 . . . . 106 PRO CA . 17938 1 629 . 1 1 87 87 PRO CB C 13 32.2 . . 1 . . . . 106 PRO CB . 17938 1 630 . 1 1 88 88 GLU H H 1 8.0 . . 1 . . . . 107 GLU H . 17938 1 631 . 1 1 88 88 GLU C C 13 181.0 . . 1 . . . . 107 GLU C . 17938 1 632 . 1 1 88 88 GLU CA C 13 58.1 . . 1 . . . . 107 GLU CA . 17938 1 633 . 1 1 88 88 GLU N N 15 126.0 . . 1 . . . . 107 GLU N . 17938 1 stop_ save_