data_19323 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19323 _Entry.Title ; Human FKBP12.6-Major Form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-26 _Entry.Accession_date 2013-06-26 _Entry.Last_release_date . _Entry.Original_release_date . _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 Sourajit Mustafi . Mitra . 19323 2 Hui Chen . . . 19323 3 Hongmin Li . . . 19323 4 David LeMaster . M. . 19323 5 Griselda Hernandez . . . 19323 6 Zhong Li . . . 19323 7 Annie Heroux . . . 19323 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wadsworth Center-NYS DOH' . 19323 2 . 'School of Public Health, University at Albany SUNY' . 19323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 19323 '15N chemical shifts' 98 19323 '1H chemical shifts' 218 19323 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-08-06 2013-06-26 update author 'update assignments' 19323 1 . . 2014-02-13 2013-06-26 original author 'original release' 19323 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16931 'Partial list of chemical shifts for Human FKBP12' 19323 BMRB 19240 'List of chemical shifts for Human FKBP12-major form' 19323 BMRB 19241 'List of chemical shifts for Human FKBP12-minor form' 19323 BMRB 19324 'Human FKBP12.6-Minor Form' 19323 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19323 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23688288 _Citation.Full_citation . _Citation.Title 'Analysing the visible conformational substates of the FK506-binding protein FKBP12.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 453 _Citation.Journal_issue 3 _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 371 _Citation.Page_last 380 _Citation.Year 2013 _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 Sourajit Mustafi . M. . 19323 1 2 Hui Chen . . . 19323 1 3 Hongmin Li . . . 19323 1 4 David Lemaster . M. . 19323 1 5 Griselda Hernandez . . . 19323 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational dynamics' 19323 1 FKBP12.6 19323 1 NMR 19323 1 'slow exchange' 19323 1 'X-ray structure' 19323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19323 _Assembly.ID 1 _Assembly.Name FKBP12.6 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11657.3 _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 FKBP12.6 1 $FKBP12.6 A . yes native yes yes . . . 19323 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1C9H . . X-ray 2.00 . . 19323 1 yes PDB 2PPN . . X-ray 0.92 . . 19323 1 yes PDB 4IQ2 . . X-ray 1.70 . . 19323 1 yes PDB 4IQC . . X-ray 1.90 . . 19323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP12.6 _Entity.Sf_category entity _Entity.Sf_framecode FKBP12.6 _Entity.Entry_ID 19323 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP12.6 _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 ; GVEIETISPGDGRTFPKKGQ TCVVHYTGMLQNGKKFDSSR DRNKPFKFRIGKQEVIKGFE EGAAQMSLGQRAKLTCTPDV AYGATGHPGVIPPNATLIFD VELLNLE ; _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 107 _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 11657.3 _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 yes BMRB 16931 . FKBP12 . . . . . . . . . . . . . . 19323 1 2 yes BMRB 19240 . "FKBP12-major form" . . . . . . . . . . . . . . 19323 1 3 yes BMRB 19241 . "FKBP12-minor form" . . . . . . . . . . . . . . 19323 1 4 no BMRB 19324 . FKBP12.6 . . . . . 100.00 107 100.00 100.00 5.89e-72 . . . . 19323 1 5 no PDB 1C9H . "Crystal Structure Of Fkbp12.6 In Complex With Rapamycin" . . . . . 100.00 107 100.00 100.00 5.89e-72 . . . . 19323 1 6 no PDB 3J8E . "Cryo-em Structure Of Ryanodine Receptor/calstabin-2 Complex" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 7 no PDB 4C02 . "Crystal Structure Of Human Acvr1 (alk2) In Complex With Fkbp12.6 And Dorsomorphin" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 8 no PDB 4IQ2 . "P21 Crystal Form Of Fkbp12.6" . . . . . 100.00 107 98.13 98.13 8.35e-70 . . . . 19323 1 9 no PDB 4IQC . "P3121 Crystal Form Of Fkbp12.6" . . . . . 100.00 107 98.13 98.13 8.35e-70 . . . . 19323 1 10 no DBJ BAA07232 . "hFKBP12-like protein [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 11 no DBJ BAA13154 . "FK506-binding protein 12.6 [Rattus norvegicus]" . . . . . 100.00 108 99.07 99.07 3.13e-71 . . . . 19323 1 12 no DBJ BAB23879 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 98.13 7.40e-70 . . . . 19323 1 13 no DBJ BAE44300 . "FK506-binding protein 12.6 [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 14 no DBJ BAF93934 . "FK506-binding protein 12.6 [Mus musculus]" . . . . . 100.00 108 97.20 98.13 7.40e-70 . . . . 19323 1 15 no EMBL CAH92123 . "hypothetical protein [Pongo abelii]" . . . . . 61.68 80 98.48 100.00 3.41e-38 . . . . 19323 1 16 no GB AAB30684 . "peptidyl-prolyl cis-trans isomerase [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 17 no GB AAB30685 . "peptidyl-prolyl cis-trans isomerase [Homo sapiens]" . . . . . 61.68 80 98.48 100.00 3.41e-38 . . . . 19323 1 18 no GB AAC37581 . "calcineurin [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 19 no GB AAC64923 . "FK506-binding protein 12.6 [Mus musculus]" . . . . . 100.00 108 97.20 98.13 7.40e-70 . . . . 19323 1 20 no GB AAH02614 . "FK506 binding protein 1B, 12.6 kDa [Homo sapiens]" . . . . . 61.68 80 98.48 100.00 3.41e-38 . . . . 19323 1 21 no PRF 2201446A . "FK506-binding protein" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 22 no REF NP_001075614 . "peptidyl-prolyl cis-trans isomerase FKBP1B [Oryctolagus cuniculus]" . . . . . 100.00 108 99.07 99.07 7.56e-71 . . . . 19323 1 23 no REF NP_001091627 . "peptidyl-prolyl cis-trans isomerase FKBP1B [Bos taurus]" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 24 no REF NP_001126241 . "peptidyl-prolyl cis-trans isomerase FKBP1B [Pongo abelii]" . . . . . 61.68 80 98.48 100.00 3.41e-38 . . . . 19323 1 25 no REF NP_001253652 . "peptidyl-prolyl cis-trans isomerase FKBP1B [Macaca mulatta]" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 26 no REF NP_004107 . "peptidyl-prolyl cis-trans isomerase FKBP1B isoform a [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 27 no SP P68106 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1B; Short=PPIase FKBP1B; AltName: Full=12.6 kDa FK506-binding protein; Sh" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 28 no SP P68107 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1B; Short=PPIase FKBP1B; AltName: Full=12.6 kDa FK506-binding protein; Sh" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 29 no SP P97534 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1B; Short=PPIase FKBP1B; AltName: Full=12.6 kDa FK506-binding protein; Sh" . . . . . 100.00 108 99.07 99.07 3.13e-71 . . . . 19323 1 30 no SP Q8HYX6 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1B; Short=PPIase FKBP1B; AltName: Full=12.6 kDa FK506-binding protein; Sh" . . . . . 100.00 108 99.07 99.07 7.56e-71 . . . . 19323 1 31 no SP Q9Z2I2 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1B; Short=PPIase FKBP1B; AltName: Full=12.6 kDa FK506-binding protein; Sh" . . . . . 100.00 108 97.20 98.13 7.40e-70 . . . . 19323 1 32 no TPG DAA24446 . "TPA: FK506 binding protein 1B, 12.6 kDa [Bos taurus]" . . . . . 100.00 108 100.00 100.00 5.11e-72 . . . . 19323 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Immunophilin,Ryanodine binding' 19323 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 . GLY . 19323 1 2 . VAL . 19323 1 3 . GLU . 19323 1 4 . ILE . 19323 1 5 . GLU . 19323 1 6 . THR . 19323 1 7 . ILE . 19323 1 8 . SER . 19323 1 9 . PRO . 19323 1 10 . GLY . 19323 1 11 . ASP . 19323 1 12 . GLY . 19323 1 13 . ARG . 19323 1 14 . THR . 19323 1 15 . PHE . 19323 1 16 . PRO . 19323 1 17 . LYS . 19323 1 18 . LYS . 19323 1 19 . GLY . 19323 1 20 . GLN . 19323 1 21 . THR . 19323 1 22 . CYS . 19323 1 23 . VAL . 19323 1 24 . VAL . 19323 1 25 . HIS . 19323 1 26 . TYR . 19323 1 27 . THR . 19323 1 28 . GLY . 19323 1 29 . MET . 19323 1 30 . LEU . 19323 1 31 . GLN . 19323 1 32 . ASN . 19323 1 33 . GLY . 19323 1 34 . LYS . 19323 1 35 . LYS . 19323 1 36 . PHE . 19323 1 37 . ASP . 19323 1 38 . SER . 19323 1 39 . SER . 19323 1 40 . ARG . 19323 1 41 . ASP . 19323 1 42 . ARG . 19323 1 43 . ASN . 19323 1 44 . LYS . 19323 1 45 . PRO . 19323 1 46 . PHE . 19323 1 47 . LYS . 19323 1 48 . PHE . 19323 1 49 . ARG . 19323 1 50 . ILE . 19323 1 51 . GLY . 19323 1 52 . LYS . 19323 1 53 . GLN . 19323 1 54 . GLU . 19323 1 55 . VAL . 19323 1 56 . ILE . 19323 1 57 . LYS . 19323 1 58 . GLY . 19323 1 59 . PHE . 19323 1 60 . GLU . 19323 1 61 . GLU . 19323 1 62 . GLY . 19323 1 63 . ALA . 19323 1 64 . ALA . 19323 1 65 . GLN . 19323 1 66 . MET . 19323 1 67 . SER . 19323 1 68 . LEU . 19323 1 69 . GLY . 19323 1 70 . GLN . 19323 1 71 . ARG . 19323 1 72 . ALA . 19323 1 73 . LYS . 19323 1 74 . LEU . 19323 1 75 . THR . 19323 1 76 . CYS . 19323 1 77 . THR . 19323 1 78 . PRO . 19323 1 79 . ASP . 19323 1 80 . VAL . 19323 1 81 . ALA . 19323 1 82 . TYR . 19323 1 83 . GLY . 19323 1 84 . ALA . 19323 1 85 . THR . 19323 1 86 . GLY . 19323 1 87 . HIS . 19323 1 88 . PRO . 19323 1 89 . GLY . 19323 1 90 . VAL . 19323 1 91 . ILE . 19323 1 92 . PRO . 19323 1 93 . PRO . 19323 1 94 . ASN . 19323 1 95 . ALA . 19323 1 96 . THR . 19323 1 97 . LEU . 19323 1 98 . ILE . 19323 1 99 . PHE . 19323 1 100 . ASP . 19323 1 101 . VAL . 19323 1 102 . GLU . 19323 1 103 . LEU . 19323 1 104 . LEU . 19323 1 105 . ASN . 19323 1 106 . LEU . 19323 1 107 . GLU . 19323 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 19323 1 . VAL 2 2 19323 1 . GLU 3 3 19323 1 . ILE 4 4 19323 1 . GLU 5 5 19323 1 . THR 6 6 19323 1 . ILE 7 7 19323 1 . SER 8 8 19323 1 . PRO 9 9 19323 1 . GLY 10 10 19323 1 . ASP 11 11 19323 1 . GLY 12 12 19323 1 . ARG 13 13 19323 1 . THR 14 14 19323 1 . PHE 15 15 19323 1 . PRO 16 16 19323 1 . LYS 17 17 19323 1 . LYS 18 18 19323 1 . GLY 19 19 19323 1 . GLN 20 20 19323 1 . THR 21 21 19323 1 . CYS 22 22 19323 1 . VAL 23 23 19323 1 . VAL 24 24 19323 1 . HIS 25 25 19323 1 . TYR 26 26 19323 1 . THR 27 27 19323 1 . GLY 28 28 19323 1 . MET 29 29 19323 1 . LEU 30 30 19323 1 . GLN 31 31 19323 1 . ASN 32 32 19323 1 . GLY 33 33 19323 1 . LYS 34 34 19323 1 . LYS 35 35 19323 1 . PHE 36 36 19323 1 . ASP 37 37 19323 1 . SER 38 38 19323 1 . SER 39 39 19323 1 . ARG 40 40 19323 1 . ASP 41 41 19323 1 . ARG 42 42 19323 1 . ASN 43 43 19323 1 . LYS 44 44 19323 1 . PRO 45 45 19323 1 . PHE 46 46 19323 1 . LYS 47 47 19323 1 . PHE 48 48 19323 1 . ARG 49 49 19323 1 . ILE 50 50 19323 1 . GLY 51 51 19323 1 . LYS 52 52 19323 1 . GLN 53 53 19323 1 . GLU 54 54 19323 1 . VAL 55 55 19323 1 . ILE 56 56 19323 1 . LYS 57 57 19323 1 . GLY 58 58 19323 1 . PHE 59 59 19323 1 . GLU 60 60 19323 1 . GLU 61 61 19323 1 . GLY 62 62 19323 1 . ALA 63 63 19323 1 . ALA 64 64 19323 1 . GLN 65 65 19323 1 . MET 66 66 19323 1 . SER 67 67 19323 1 . LEU 68 68 19323 1 . GLY 69 69 19323 1 . GLN 70 70 19323 1 . ARG 71 71 19323 1 . ALA 72 72 19323 1 . LYS 73 73 19323 1 . LEU 74 74 19323 1 . THR 75 75 19323 1 . CYS 76 76 19323 1 . THR 77 77 19323 1 . PRO 78 78 19323 1 . ASP 79 79 19323 1 . VAL 80 80 19323 1 . ALA 81 81 19323 1 . TYR 82 82 19323 1 . GLY 83 83 19323 1 . ALA 84 84 19323 1 . THR 85 85 19323 1 . GLY 86 86 19323 1 . HIS 87 87 19323 1 . PRO 88 88 19323 1 . GLY 89 89 19323 1 . VAL 90 90 19323 1 . ILE 91 91 19323 1 . PRO 92 92 19323 1 . PRO 93 93 19323 1 . ASN 94 94 19323 1 . ALA 95 95 19323 1 . THR 96 96 19323 1 . LEU 97 97 19323 1 . ILE 98 98 19323 1 . PHE 99 99 19323 1 . ASP 100 100 19323 1 . VAL 101 101 19323 1 . GLU 102 102 19323 1 . LEU 103 103 19323 1 . LEU 104 104 19323 1 . ASN 105 105 19323 1 . LEU 106 106 19323 1 . GLU 107 107 19323 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 19323 _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 $FKBP12.6 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19323 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 19323 _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 $FKBP12.6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET11a . . . . . . 19323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19323 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 FKBP12.6 '[U-99% 13C; U-99% 15N]' . . 1 $FKBP12.6 . . 1.5 . . mM . . . . 19323 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19323 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19323 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19323 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19323 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19323 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19323 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 FKBP12.6 '[U-98% 15N]' . . 1 $FKBP12.6 . . 1.5 . . mM . . . . 19323 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19323 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19323 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19323 2 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19323 2 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19323 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 19323 _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' 25 . mM 19323 1 pH 7.00 . pH 19323 1 pressure 1 . atm 19323 1 temperature 298.15 . K 19323 1 stop_ save_ save_sample_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_2 _Sample_condition_list.Entry_ID 19323 _Sample_condition_list.ID 2 _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' 25 . mM 19323 2 pH 7.00 . pH 19323 2 pressure 1 . atm 19323 2 temperature 298.15 . K 19323 2 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19323 _Software.ID 1 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19323 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19323 1 'peak picking' 19323 1 processing 19323 1 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 19323 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19323 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19323 _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 . . . 19323 1 2 spectrometer_2 Bruker Avance . 800 . . . 19323 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 19323 _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 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19323 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19323 1 3 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19323 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19323 1 5 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19323 1 6 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19323 1 7 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19323 1 8 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19323 1 9 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19323 1 10 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19323 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 19323 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $Felix _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 19323 _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 . . . . . . . . . 19323 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19323 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19323 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 19323 _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 1 '3D CBCA(CO)NH' . . . 19323 1 2 '3D HNCACB' . . . 19323 1 3 '3D HCCH-TOCSY' . . . 19323 1 4 '3D HNCO' . . . 19323 1 5 '3D HCACO' . . . 19323 1 6 '3D H(CCO)NH' . . . 19323 1 7 '2D 1H-13C HSQC aliphatic' . . . 19323 1 8 '2D 1H-13C HSQC aromatic' . . . 19323 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 GLY HA2 H 1 3.508 . . . . . . . 1 GLY HA2 . 19323 1 2 . 1 1 1 1 GLY HA3 H 1 3.749 . . . . . . . 1 GLY HA3 . 19323 1 3 . 1 1 1 1 GLY C C 13 168.72 . . . . . . . 1 GLY C . 19323 1 4 . 1 1 1 1 GLY CA C 13 43.606 . . . . . . . 1 GLY CA . 19323 1 5 . 1 1 2 2 VAL H H 1 8.655 . . . . . . . 2 VAL H . 19323 1 6 . 1 1 2 2 VAL HA H 1 5.198 . . . . . . . 2 VAL HA . 19323 1 7 . 1 1 2 2 VAL C C 13 174.673 . . . . . . . 2 VAL C . 19323 1 8 . 1 1 2 2 VAL CA C 13 59.777 . . . . . . . 2 VAL CA . 19323 1 9 . 1 1 2 2 VAL CB C 13 34.541 . . . . . . . 2 VAL CB . 19323 1 10 . 1 1 2 2 VAL N N 15 122.36 . . . . . . . 2 VAL N . 19323 1 11 . 1 1 3 3 GLU H H 1 8.448 . . . . . . . 3 GLU H . 19323 1 12 . 1 1 3 3 GLU HA H 1 4.668 . . . . . . . 3 GLU HA . 19323 1 13 . 1 1 3 3 GLU C C 13 175.182 . . . . . . . 3 GLU C . 19323 1 14 . 1 1 3 3 GLU CA C 13 54.139 . . . . . . . 3 GLU CA . 19323 1 15 . 1 1 3 3 GLU CB C 13 32.224 . . . . . . . 3 GLU CB . 19323 1 16 . 1 1 3 3 GLU N N 15 127.416 . . . . . . . 3 GLU N . 19323 1 17 . 1 1 4 4 ILE H H 1 8.745 . . . . . . . 4 ILE H . 19323 1 18 . 1 1 4 4 ILE HA H 1 4.853 . . . . . . . 4 ILE HA . 19323 1 19 . 1 1 4 4 ILE C C 13 175.125 . . . . . . . 4 ILE C . 19323 1 20 . 1 1 4 4 ILE CA C 13 60.473 . . . . . . . 4 ILE CA . 19323 1 21 . 1 1 4 4 ILE CB C 13 40.653 . . . . . . . 4 ILE CB . 19323 1 22 . 1 1 4 4 ILE N N 15 122.888 . . . . . . . 4 ILE N . 19323 1 23 . 1 1 5 5 GLU H H 1 8.986 . . . . . . . 5 GLU H . 19323 1 24 . 1 1 5 5 GLU HA H 1 4.66 . . . . . . . 5 GLU HA . 19323 1 25 . 1 1 5 5 GLU C C 13 175.127 . . . . . . . 5 GLU C . 19323 1 26 . 1 1 5 5 GLU CA C 13 54.257 . . . . . . . 5 GLU CA . 19323 1 27 . 1 1 5 5 GLU CB C 13 32.541 . . . . . . . 5 GLU CB . 19323 1 28 . 1 1 5 5 GLU N N 15 128.759 . . . . . . . 5 GLU N . 19323 1 29 . 1 1 6 6 THR H H 1 9.153 . . . . . . . 6 THR H . 19323 1 30 . 1 1 6 6 THR HA H 1 3.905 . . . . . . . 6 THR HA . 19323 1 31 . 1 1 6 6 THR C C 13 173.634 . . . . . . . 6 THR C . 19323 1 32 . 1 1 6 6 THR CA C 13 66.405 . . . . . . . 6 THR CA . 19323 1 33 . 1 1 6 6 THR CB C 13 68.723 . . . . . . . 6 THR CB . 19323 1 34 . 1 1 6 6 THR N N 15 124.677 . . . . . . . 6 THR N . 19323 1 35 . 1 1 7 7 ILE H H 1 9.216 . . . . . . . 7 ILE H . 19323 1 36 . 1 1 7 7 ILE HA H 1 4.004 . . . . . . . 7 ILE HA . 19323 1 37 . 1 1 7 7 ILE C C 13 175.835 . . . . . . . 7 ILE C . 19323 1 38 . 1 1 7 7 ILE CA C 13 62.992 . . . . . . . 7 ILE CA . 19323 1 39 . 1 1 7 7 ILE CB C 13 39.452 . . . . . . . 7 ILE CB . 19323 1 40 . 1 1 7 7 ILE N N 15 129.607 . . . . . . . 7 ILE N . 19323 1 41 . 1 1 8 8 SER H H 1 8.279 . . . . . . . 8 SER H . 19323 1 42 . 1 1 8 8 SER HA H 1 4.93 . . . . . . . 8 SER HA . 19323 1 43 . 1 1 8 8 SER C C 13 171.824 . . . . . . . 8 SER C . 19323 1 44 . 1 1 8 8 SER CA C 13 55.466 . . . . . . . 8 SER CA . 19323 1 45 . 1 1 8 8 SER CB C 13 64.344 . . . . . . . 8 SER CB . 19323 1 46 . 1 1 8 8 SER N N 15 114.708 . . . . . . . 8 SER N . 19323 1 47 . 1 1 9 9 PRO HA H 1 4.258 . . . . . . . 9 PRO HA . 19323 1 48 . 1 1 9 9 PRO C C 13 177.774 . . . . . . . 9 PRO C . 19323 1 49 . 1 1 9 9 PRO CA C 13 63.443 . . . . . . . 9 PRO CA . 19323 1 50 . 1 1 9 9 PRO CB C 13 32.773 . . . . . . . 9 PRO CB . 19323 1 51 . 1 1 10 10 GLY H H 1 8.443 . . . . . . . 10 GLY H . 19323 1 52 . 1 1 10 10 GLY HA2 H 1 4.129 . . . . . . . 10 GLY HA2 . 19323 1 53 . 1 1 10 10 GLY HA3 H 1 3.475 . . . . . . . 10 GLY HA3 . 19323 1 54 . 1 1 10 10 GLY C C 13 174.22 . . . . . . . 10 GLY C . 19323 1 55 . 1 1 10 10 GLY CA C 13 44.138 . . . . . . . 10 GLY CA . 19323 1 56 . 1 1 10 10 GLY N N 15 107.959 . . . . . . . 10 GLY N . 19323 1 57 . 1 1 11 11 ASP H H 1 8.095 . . . . . . . 11 ASP H . 19323 1 58 . 1 1 11 11 ASP HA H 1 4.215 . . . . . . . 11 ASP HA . 19323 1 59 . 1 1 11 11 ASP C C 13 178.263 . . . . . . . 11 ASP C . 19323 1 60 . 1 1 11 11 ASP CA C 13 54.505 . . . . . . . 11 ASP CA . 19323 1 61 . 1 1 11 11 ASP CB C 13 39.297 . . . . . . . 11 ASP CB . 19323 1 62 . 1 1 11 11 ASP N N 15 118.791 . . . . . . . 11 ASP N . 19323 1 63 . 1 1 12 12 GLY H H 1 8.708 . . . . . . . 12 GLY H . 19323 1 64 . 1 1 12 12 GLY HA2 H 1 3.383 . . . . . . . 12 GLY HA2 . 19323 1 65 . 1 1 12 12 GLY HA3 H 1 3.927 . . . . . . . 12 GLY HA3 . 19323 1 66 . 1 1 12 12 GLY C C 13 173.18 . . . . . . . 12 GLY C . 19323 1 67 . 1 1 12 12 GLY CA C 13 45.868 . . . . . . . 12 GLY CA . 19323 1 68 . 1 1 12 12 GLY N N 15 108.061 . . . . . . . 12 GLY N . 19323 1 69 . 1 1 13 13 ARG H H 1 8.528 . . . . . . . 13 ARG H . 19323 1 70 . 1 1 13 13 ARG HA H 1 4.657 . . . . . . . 13 ARG HA . 19323 1 71 . 1 1 13 13 ARG C C 13 174.895 . . . . . . . 13 ARG C . 19323 1 72 . 1 1 13 13 ARG CA C 13 56.438 . . . . . . . 13 ARG CA . 19323 1 73 . 1 1 13 13 ARG CB C 13 34.229 . . . . . . . 13 ARG CB . 19323 1 74 . 1 1 13 13 ARG N N 15 117.662 . . . . . . . 13 ARG N . 19323 1 75 . 1 1 14 14 THR H H 1 10.173 . . . . . . . 14 THR H . 19323 1 76 . 1 1 14 14 THR HA H 1 4.131 . . . . . . . 14 THR HA . 19323 1 77 . 1 1 14 14 THR C C 13 172.146 . . . . . . . 14 THR C . 19323 1 78 . 1 1 14 14 THR CA C 13 62.085 . . . . . . . 14 THR CA . 19323 1 79 . 1 1 14 14 THR CB C 13 66.259 . . . . . . . 14 THR CB . 19323 1 80 . 1 1 14 14 THR N N 15 125.564 . . . . . . . 14 THR N . 19323 1 81 . 1 1 15 15 PHE H H 1 8.086 . . . . . . . 15 PHE H . 19323 1 82 . 1 1 15 15 PHE HA H 1 5.145 . . . . . . . 15 PHE HA . 19323 1 83 . 1 1 15 15 PHE C C 13 174.205 . . . . . . . 15 PHE C . 19323 1 84 . 1 1 15 15 PHE CA C 13 54.515 . . . . . . . 15 PHE CA . 19323 1 85 . 1 1 15 15 PHE CB C 13 39.876 . . . . . . . 15 PHE CB . 19323 1 86 . 1 1 15 15 PHE N N 15 124.175 . . . . . . . 15 PHE N . 19323 1 87 . 1 1 16 16 PRO HA H 1 4.258 . . . . . . . 16 PRO HA . 19323 1 88 . 1 1 16 16 PRO C C 13 176.221 . . . . . . . 16 PRO C . 19323 1 89 . 1 1 16 16 PRO CA C 13 63.443 . . . . . . . 16 PRO CA . 19323 1 90 . 1 1 16 16 PRO CB C 13 33.308 . . . . . . . 16 PRO CB . 19323 1 91 . 1 1 17 17 LYS H H 1 8.474 . . . . . . . 17 LYS H . 19323 1 92 . 1 1 17 17 LYS HA H 1 4.562 . . . . . . . 17 LYS HA . 19323 1 93 . 1 1 17 17 LYS C C 13 176.01 . . . . . . . 17 LYS C . 19323 1 94 . 1 1 17 17 LYS CA C 13 53.577 . . . . . . . 17 LYS CA . 19323 1 95 . 1 1 17 17 LYS CB C 13 34.984 . . . . . . . 17 LYS CB . 19323 1 96 . 1 1 17 17 LYS N N 15 123.035 . . . . . . . 17 LYS N . 19323 1 97 . 1 1 18 18 LYS H H 1 8.301 . . . . . . . 18 LYS H . 19323 1 98 . 1 1 18 18 LYS HA H 1 3.589 . . . . . . . 18 LYS HA . 19323 1 99 . 1 1 18 18 LYS C C 13 177.373 . . . . . . . 18 LYS C . 19323 1 100 . 1 1 18 18 LYS CA C 13 58.916 . . . . . . . 18 LYS CA . 19323 1 101 . 1 1 18 18 LYS CB C 13 31.927 . . . . . . . 18 LYS CB . 19323 1 102 . 1 1 18 18 LYS N N 15 120.176 . . . . . . . 18 LYS N . 19323 1 103 . 1 1 19 19 GLY H H 1 8.288 . . . . . . . 19 GLY H . 19323 1 104 . 1 1 19 19 GLY HA2 H 1 3.466 . . . . . . . 19 GLY HA2 . 19323 1 105 . 1 1 19 19 GLY HA3 H 1 4.256 . . . . . . . 19 GLY HA3 . 19323 1 106 . 1 1 19 19 GLY C C 13 174.167 . . . . . . . 19 GLY C . 19323 1 107 . 1 1 19 19 GLY CA C 13 45.134 . . . . . . . 19 GLY CA . 19323 1 108 . 1 1 19 19 GLY N N 15 113.216 . . . . . . . 19 GLY N . 19323 1 109 . 1 1 20 20 GLN H H 1 7.993 . . . . . . . 20 GLN H . 19323 1 110 . 1 1 20 20 GLN HA H 1 4.336 . . . . . . . 20 GLN HA . 19323 1 111 . 1 1 20 20 GLN C C 13 175.327 . . . . . . . 20 GLN C . 19323 1 112 . 1 1 20 20 GLN CA C 13 56.435 . . . . . . . 20 GLN CA . 19323 1 113 . 1 1 20 20 GLN CB C 13 30.495 . . . . . . . 20 GLN CB . 19323 1 114 . 1 1 20 20 GLN N N 15 119.534 . . . . . . . 20 GLN N . 19323 1 115 . 1 1 21 21 THR H H 1 8.815 . . . . . . . 21 THR H . 19323 1 116 . 1 1 21 21 THR HA H 1 4.196 . . . . . . . 21 THR HA . 19323 1 117 . 1 1 21 21 THR C C 13 173.471 . . . . . . . 21 THR C . 19323 1 118 . 1 1 21 21 THR CA C 13 62.813 . . . . . . . 21 THR CA . 19323 1 119 . 1 1 21 21 THR CB C 13 69.127 . . . . . . . 21 THR CB . 19323 1 120 . 1 1 21 21 THR N N 15 119.353 . . . . . . . 21 THR N . 19323 1 121 . 1 1 22 22 CYS H H 1 8.821 . . . . . . . 22 CYS H . 19323 1 122 . 1 1 22 22 CYS HA H 1 4.28 . . . . . . . 22 CYS HA . 19323 1 123 . 1 1 22 22 CYS C C 13 172.305 . . . . . . . 22 CYS C . 19323 1 124 . 1 1 22 22 CYS CA C 13 58.295 . . . . . . . 22 CYS CA . 19323 1 125 . 1 1 22 22 CYS CB C 13 28.729 . . . . . . . 22 CYS CB . 19323 1 126 . 1 1 22 22 CYS N N 15 126.215 . . . . . . . 22 CYS N . 19323 1 127 . 1 1 23 23 VAL H H 1 8.1 . . . . . . . 23 VAL H . 19323 1 128 . 1 1 23 23 VAL HA H 1 4.562 . . . . . . . 23 VAL HA . 19323 1 129 . 1 1 23 23 VAL C C 13 176.009 . . . . . . . 23 VAL C . 19323 1 130 . 1 1 23 23 VAL CA C 13 61.411 . . . . . . . 23 VAL CA . 19323 1 131 . 1 1 23 23 VAL CB C 13 31.531 . . . . . . . 23 VAL CB . 19323 1 132 . 1 1 23 23 VAL N N 15 123.798 . . . . . . . 23 VAL N . 19323 1 133 . 1 1 24 24 VAL H H 1 9.546 . . . . . . . 24 VAL H . 19323 1 134 . 1 1 24 24 VAL HA H 1 5.795 . . . . . . . 24 VAL HA . 19323 1 135 . 1 1 24 24 VAL C C 13 175.579 . . . . . . . 24 VAL C . 19323 1 136 . 1 1 24 24 VAL CA C 13 57.783 . . . . . . . 24 VAL CA . 19323 1 137 . 1 1 24 24 VAL CB C 13 36.104 . . . . . . . 24 VAL CB . 19323 1 138 . 1 1 24 24 VAL N N 15 117.454 . . . . . . . 24 VAL N . 19323 1 139 . 1 1 25 25 HIS H H 1 8.487 . . . . . . . 25 HIS H . 19323 1 140 . 1 1 25 25 HIS HA H 1 5.8 . . . . . . . 25 HIS HA . 19323 1 141 . 1 1 25 25 HIS C C 13 176.625 . . . . . . . 25 HIS C . 19323 1 142 . 1 1 25 25 HIS CA C 13 54.482 . . . . . . . 25 HIS CA . 19323 1 143 . 1 1 25 25 HIS CB C 13 35.297 . . . . . . . 25 HIS CB . 19323 1 144 . 1 1 25 25 HIS N N 15 117.923 . . . . . . . 25 HIS N . 19323 1 145 . 1 1 26 26 TYR H H 1 9.83 . . . . . . . 26 TYR H . 19323 1 146 . 1 1 26 26 TYR HA H 1 6.497 . . . . . . . 26 TYR HA . 19323 1 147 . 1 1 26 26 TYR C C 13 173.73 . . . . . . . 26 TYR C . 19323 1 148 . 1 1 26 26 TYR CA C 13 55.957 . . . . . . . 26 TYR CA . 19323 1 149 . 1 1 26 26 TYR CB C 13 44.219 . . . . . . . 26 TYR CB . 19323 1 150 . 1 1 26 26 TYR N N 15 118.071 . . . . . . . 26 TYR N . 19323 1 151 . 1 1 27 27 THR H H 1 8.757 . . . . . . . 27 THR H . 19323 1 152 . 1 1 27 27 THR HA H 1 4.504 . . . . . . . 27 THR HA . 19323 1 153 . 1 1 27 27 THR C C 13 172.923 . . . . . . . 27 THR C . 19323 1 154 . 1 1 27 27 THR CA C 13 62.798 . . . . . . . 27 THR CA . 19323 1 155 . 1 1 27 27 THR CB C 13 72.143 . . . . . . . 27 THR CB . 19323 1 156 . 1 1 27 27 THR N N 15 116.613 . . . . . . . 27 THR N . 19323 1 157 . 1 1 28 28 GLY H H 1 9.335 . . . . . . . 28 GLY H . 19323 1 158 . 1 1 28 28 GLY HA2 H 1 2.334 . . . . . . . 28 GLY HA2 . 19323 1 159 . 1 1 28 28 GLY HA3 H 1 4.453 . . . . . . . 28 GLY HA3 . 19323 1 160 . 1 1 28 28 GLY C C 13 171.129 . . . . . . . 28 GLY C . 19323 1 161 . 1 1 28 28 GLY CA C 13 45.406 . . . . . . . 28 GLY CA . 19323 1 162 . 1 1 28 28 GLY N N 15 115.128 . . . . . . . 28 GLY N . 19323 1 163 . 1 1 29 29 MET H H 1 9.391 . . . . . . . 29 MET H . 19323 1 164 . 1 1 29 29 MET HA H 1 5.183 . . . . . . . 29 MET HA . 19323 1 165 . 1 1 29 29 MET C C 13 175.255 . . . . . . . 29 MET C . 19323 1 166 . 1 1 29 29 MET CA C 13 54.067 . . . . . . . 29 MET CA . 19323 1 167 . 1 1 29 29 MET CB C 13 37.65 . . . . . . . 29 MET CB . 19323 1 168 . 1 1 29 29 MET N N 15 125.614 . . . . . . . 29 MET N . 19323 1 169 . 1 1 30 30 LEU H H 1 8.456 . . . . . . . 30 LEU H . 19323 1 170 . 1 1 30 30 LEU HA H 1 4.635 . . . . . . . 30 LEU HA . 19323 1 171 . 1 1 30 30 LEU C C 13 179.108 . . . . . . . 30 LEU C . 19323 1 172 . 1 1 30 30 LEU CA C 13 53.613 . . . . . . . 30 LEU CA . 19323 1 173 . 1 1 30 30 LEU CB C 13 41.602 . . . . . . . 30 LEU CB . 19323 1 174 . 1 1 30 30 LEU N N 15 118.913 . . . . . . . 30 LEU N . 19323 1 175 . 1 1 31 31 GLN H H 1 8.943 . . . . . . . 31 GLN H . 19323 1 176 . 1 1 31 31 GLN HA H 1 3.783 . . . . . . . 31 GLN HA . 19323 1 177 . 1 1 31 31 GLN C C 13 176.207 . . . . . . . 31 GLN C . 19323 1 178 . 1 1 31 31 GLN CA C 13 59.111 . . . . . . . 31 GLN CA . 19323 1 179 . 1 1 31 31 GLN CB C 13 28.641 . . . . . . . 31 GLN CB . 19323 1 180 . 1 1 31 31 GLN N N 15 120.101 . . . . . . . 31 GLN N . 19323 1 181 . 1 1 32 32 ASN H H 1 7.675 . . . . . . . 32 ASN H . 19323 1 182 . 1 1 32 32 ASN HA H 1 4.416 . . . . . . . 32 ASN HA . 19323 1 183 . 1 1 32 32 ASN C C 13 176.288 . . . . . . . 32 ASN C . 19323 1 184 . 1 1 32 32 ASN CA C 13 52.694 . . . . . . . 32 ASN CA . 19323 1 185 . 1 1 32 32 ASN CB C 13 37.057 . . . . . . . 32 ASN CB . 19323 1 186 . 1 1 32 32 ASN N N 15 113.966 . . . . . . . 32 ASN N . 19323 1 187 . 1 1 33 33 GLY H H 1 8.203 . . . . . . . 33 GLY H . 19323 1 188 . 1 1 33 33 GLY HA2 H 1 4.148 . . . . . . . 33 GLY HA2 . 19323 1 189 . 1 1 33 33 GLY HA3 H 1 3.649 . . . . . . . 33 GLY HA3 . 19323 1 190 . 1 1 33 33 GLY C C 13 173.962 . . . . . . . 33 GLY C . 19323 1 191 . 1 1 33 33 GLY CA C 13 44.9 . . . . . . . 33 GLY CA . 19323 1 192 . 1 1 33 33 GLY N N 15 108.232 . . . . . . . 33 GLY N . 19323 1 193 . 1 1 34 34 LYS H H 1 7.668 . . . . . . . 34 LYS H . 19323 1 194 . 1 1 34 34 LYS HA H 1 4.105 . . . . . . . 34 LYS HA . 19323 1 195 . 1 1 34 34 LYS C C 13 176.104 . . . . . . . 34 LYS C . 19323 1 196 . 1 1 34 34 LYS CA C 13 56.581 . . . . . . . 34 LYS CA . 19323 1 197 . 1 1 34 34 LYS CB C 13 32.77 . . . . . . . 34 LYS CB . 19323 1 198 . 1 1 34 34 LYS N N 15 121.025 . . . . . . . 34 LYS N . 19323 1 199 . 1 1 35 35 LYS H H 1 8.556 . . . . . . . 35 LYS H . 19323 1 200 . 1 1 35 35 LYS HA H 1 4.465 . . . . . . . 35 LYS HA . 19323 1 201 . 1 1 35 35 LYS C C 13 176.587 . . . . . . . 35 LYS C . 19323 1 202 . 1 1 35 35 LYS CA C 13 56.623 . . . . . . . 35 LYS CA . 19323 1 203 . 1 1 35 35 LYS CB C 13 32.786 . . . . . . . 35 LYS CB . 19323 1 204 . 1 1 35 35 LYS N N 15 127.167 . . . . . . . 35 LYS N . 19323 1 205 . 1 1 36 36 PHE H H 1 8.502 . . . . . . . 36 PHE H . 19323 1 206 . 1 1 36 36 PHE HA H 1 5.033 . . . . . . . 36 PHE HA . 19323 1 207 . 1 1 36 36 PHE C C 13 174.403 . . . . . . . 36 PHE C . 19323 1 208 . 1 1 36 36 PHE CA C 13 56.2 . . . . . . . 36 PHE CA . 19323 1 209 . 1 1 36 36 PHE CB C 13 41.101 . . . . . . . 36 PHE CB . 19323 1 210 . 1 1 36 36 PHE N N 15 120.962 . . . . . . . 36 PHE N . 19323 1 211 . 1 1 37 37 ASP H H 1 6.764 . . . . . . . 37 ASP H . 19323 1 212 . 1 1 37 37 ASP HA H 1 4.73 . . . . . . . 37 ASP HA . 19323 1 213 . 1 1 37 37 ASP C C 13 174.95 . . . . . . . 37 ASP C . 19323 1 214 . 1 1 37 37 ASP CA C 13 54.311 . . . . . . . 37 ASP CA . 19323 1 215 . 1 1 37 37 ASP CB C 13 44.212 . . . . . . . 37 ASP CB . 19323 1 216 . 1 1 37 37 ASP N N 15 118.803 . . . . . . . 37 ASP N . 19323 1 217 . 1 1 38 38 SER H H 1 8.185 . . . . . . . 38 SER H . 19323 1 218 . 1 1 38 38 SER HA H 1 4.631 . . . . . . . 38 SER HA . 19323 1 219 . 1 1 38 38 SER C C 13 174.91 . . . . . . . 38 SER C . 19323 1 220 . 1 1 38 38 SER CA C 13 56.81 . . . . . . . 38 SER CA . 19323 1 221 . 1 1 38 38 SER CB C 13 64.655 . . . . . . . 38 SER CB . 19323 1 222 . 1 1 38 38 SER N N 15 118.01 . . . . . . . 38 SER N . 19323 1 223 . 1 1 39 39 SER H H 1 8.079 . . . . . . . 39 SER H . 19323 1 224 . 1 1 39 39 SER HA H 1 4.029 . . . . . . . 39 SER HA . 19323 1 225 . 1 1 39 39 SER C C 13 176.807 . . . . . . . 39 SER C . 19323 1 226 . 1 1 39 39 SER CA C 13 61.545 . . . . . . . 39 SER CA . 19323 1 227 . 1 1 39 39 SER CB C 13 61.803 . . . . . . . 39 SER CB . 19323 1 228 . 1 1 39 39 SER N N 15 125.128 . . . . . . . 39 SER N . 19323 1 229 . 1 1 40 40 ARG H H 1 7.47 . . . . . . . 40 ARG H . 19323 1 230 . 1 1 40 40 ARG HA H 1 3.47 . . . . . . . 40 ARG HA . 19323 1 231 . 1 1 40 40 ARG C C 13 179.877 . . . . . . . 40 ARG C . 19323 1 232 . 1 1 40 40 ARG CA C 13 58.963 . . . . . . . 40 ARG CA . 19323 1 233 . 1 1 40 40 ARG CB C 13 28.898 . . . . . . . 40 ARG CB . 19323 1 234 . 1 1 40 40 ARG N N 15 123.688 . . . . . . . 40 ARG N . 19323 1 235 . 1 1 41 41 ASP H H 1 7.217 . . . . . . . 41 ASP H . 19323 1 236 . 1 1 41 41 ASP HA H 1 4.232 . . . . . . . 41 ASP HA . 19323 1 237 . 1 1 41 41 ASP C C 13 176.817 . . . . . . . 41 ASP C . 19323 1 238 . 1 1 41 41 ASP CA C 13 56.353 . . . . . . . 41 ASP CA . 19323 1 239 . 1 1 41 41 ASP CB C 13 40.099 . . . . . . . 41 ASP CB . 19323 1 240 . 1 1 41 41 ASP N N 15 118.621 . . . . . . . 41 ASP N . 19323 1 241 . 1 1 42 42 ARG H H 1 6.869 . . . . . . . 42 ARG H . 19323 1 242 . 1 1 42 42 ARG HA H 1 4.339 . . . . . . . 42 ARG HA . 19323 1 243 . 1 1 42 42 ARG C C 13 175.464 . . . . . . . 42 ARG C . 19323 1 244 . 1 1 42 42 ARG CA C 13 55.795 . . . . . . . 42 ARG CA . 19323 1 245 . 1 1 42 42 ARG CB C 13 31.367 . . . . . . . 42 ARG CB . 19323 1 246 . 1 1 42 42 ARG N N 15 115 . . . . . . . 42 ARG N . 19323 1 247 . 1 1 43 43 ASN H H 1 7.8 . . . . . . . 43 ASN H . 19323 1 248 . 1 1 43 43 ASN HA H 1 4.323 . . . . . . . 43 ASN HA . 19323 1 249 . 1 1 43 43 ASN C C 13 174.02 . . . . . . . 43 ASN C . 19323 1 250 . 1 1 43 43 ASN CA C 13 54.031 . . . . . . . 43 ASN CA . 19323 1 251 . 1 1 43 43 ASN CB C 13 37.541 . . . . . . . 43 ASN CB . 19323 1 252 . 1 1 43 43 ASN N N 15 115.309 . . . . . . . 43 ASN N . 19323 1 253 . 1 1 44 44 LYS H H 1 7.353 . . . . . . . 44 LYS H . 19323 1 254 . 1 1 44 44 LYS HA H 1 4.832 . . . . . . . 44 LYS HA . 19323 1 255 . 1 1 44 44 LYS C C 13 172.318 . . . . . . . 44 LYS C . 19323 1 256 . 1 1 44 44 LYS CA C 13 53.439 . . . . . . . 44 LYS CA . 19323 1 257 . 1 1 44 44 LYS CB C 13 35.245 . . . . . . . 44 LYS CB . 19323 1 258 . 1 1 44 44 LYS N N 15 115.524 . . . . . . . 44 LYS N . 19323 1 259 . 1 1 45 45 PRO HA H 1 3.744 . . . . . . . 45 PRO HA . 19323 1 260 . 1 1 45 45 PRO C C 13 174.356 . . . . . . . 45 PRO C . 19323 1 261 . 1 1 45 45 PRO CA C 13 62.961 . . . . . . . 45 PRO CA . 19323 1 262 . 1 1 45 45 PRO CB C 13 32.287 . . . . . . . 45 PRO CB . 19323 1 263 . 1 1 46 46 PHE H H 1 9.097 . . . . . . . 46 PHE H . 19323 1 264 . 1 1 46 46 PHE HA H 1 4.851 . . . . . . . 46 PHE HA . 19323 1 265 . 1 1 46 46 PHE C C 13 172.996 . . . . . . . 46 PHE C . 19323 1 266 . 1 1 46 46 PHE CA C 13 56.587 . . . . . . . 46 PHE CA . 19323 1 267 . 1 1 46 46 PHE CB C 13 42.167 . . . . . . . 46 PHE CB . 19323 1 268 . 1 1 46 46 PHE N N 15 124.359 . . . . . . . 46 PHE N . 19323 1 269 . 1 1 47 47 LYS H H 1 7.47 . . . . . . . 47 LYS H . 19323 1 270 . 1 1 47 47 LYS HA H 1 5.472 . . . . . . . 47 LYS HA . 19323 1 271 . 1 1 47 47 LYS C C 13 174.732 . . . . . . . 47 LYS C . 19323 1 272 . 1 1 47 47 LYS CA C 13 54.076 . . . . . . . 47 LYS CA . 19323 1 273 . 1 1 47 47 LYS CB C 13 34.905 . . . . . . . 47 LYS CB . 19323 1 274 . 1 1 47 47 LYS N N 15 124.782 . . . . . . . 47 LYS N . 19323 1 275 . 1 1 48 48 PHE H H 1 8.083 . . . . . . . 48 PHE H . 19323 1 276 . 1 1 48 48 PHE HA H 1 4.612 . . . . . . . 48 PHE HA . 19323 1 277 . 1 1 48 48 PHE C C 13 171.834 . . . . . . . 48 PHE C . 19323 1 278 . 1 1 48 48 PHE CA C 13 55.55 . . . . . . . 48 PHE CA . 19323 1 279 . 1 1 48 48 PHE CB C 13 41.168 . . . . . . . 48 PHE CB . 19323 1 280 . 1 1 48 48 PHE N N 15 116.331 . . . . . . . 48 PHE N . 19323 1 281 . 1 1 49 49 ARG H H 1 8.829 . . . . . . . 49 ARG H . 19323 1 282 . 1 1 49 49 ARG HA H 1 4.704 . . . . . . . 49 ARG HA . 19323 1 283 . 1 1 49 49 ARG C C 13 176.859 . . . . . . . 49 ARG C . 19323 1 284 . 1 1 49 49 ARG CA C 13 54.464 . . . . . . . 49 ARG CA . 19323 1 285 . 1 1 49 49 ARG CB C 13 31.307 . . . . . . . 49 ARG CB . 19323 1 286 . 1 1 49 49 ARG N N 15 121.483 . . . . . . . 49 ARG N . 19323 1 287 . 1 1 50 50 ILE H H 1 8.283 . . . . . . . 50 ILE H . 19323 1 288 . 1 1 50 50 ILE HA H 1 3.903 . . . . . . . 50 ILE HA . 19323 1 289 . 1 1 50 50 ILE C C 13 178.207 . . . . . . . 50 ILE C . 19323 1 290 . 1 1 50 50 ILE CA C 13 60.805 . . . . . . . 50 ILE CA . 19323 1 291 . 1 1 50 50 ILE CB C 13 36.086 . . . . . . . 50 ILE CB . 19323 1 292 . 1 1 50 50 ILE N N 15 126.271 . . . . . . . 50 ILE N . 19323 1 293 . 1 1 51 51 GLY H H 1 9.979 . . . . . . . 51 GLY H . 19323 1 294 . 1 1 51 51 GLY HA2 H 1 3.878 . . . . . . . 51 GLY HA2 . 19323 1 295 . 1 1 51 51 GLY HA3 H 1 4.131 . . . . . . . 51 GLY HA3 . 19323 1 296 . 1 1 51 51 GLY C C 13 175.132 . . . . . . . 51 GLY C . 19323 1 297 . 1 1 51 51 GLY CA C 13 45.703 . . . . . . . 51 GLY CA . 19323 1 298 . 1 1 51 51 GLY N N 15 118.448 . . . . . . . 51 GLY N . 19323 1 299 . 1 1 52 52 LYS H H 1 7.333 . . . . . . . 52 LYS H . 19323 1 300 . 1 1 52 52 LYS HA H 1 4.553 . . . . . . . 52 LYS HA . 19323 1 301 . 1 1 52 52 LYS C C 13 174.901 . . . . . . . 52 LYS C . 19323 1 302 . 1 1 52 52 LYS CA C 13 53.765 . . . . . . . 52 LYS CA . 19323 1 303 . 1 1 52 52 LYS CB C 13 32.156 . . . . . . . 52 LYS CB . 19323 1 304 . 1 1 52 52 LYS N N 15 117.826 . . . . . . . 52 LYS N . 19323 1 305 . 1 1 53 53 GLN H H 1 9.354 . . . . . . . 53 GLN H . 19323 1 306 . 1 1 53 53 GLN HA H 1 4.057 . . . . . . . 53 GLN HA . 19323 1 307 . 1 1 53 53 GLN C C 13 176.249 . . . . . . . 53 GLN C . 19323 1 308 . 1 1 53 53 GLN CA C 13 56.893 . . . . . . . 53 GLN CA . 19323 1 309 . 1 1 53 53 GLN CB C 13 26.257 . . . . . . . 53 GLN CB . 19323 1 310 . 1 1 53 53 GLN N N 15 118.84 . . . . . . . 53 GLN N . 19323 1 311 . 1 1 54 54 GLU H H 1 9.385 . . . . . . . 54 GLU H . 19323 1 312 . 1 1 54 54 GLU HA H 1 4.178 . . . . . . . 54 GLU HA . 19323 1 313 . 1 1 54 54 GLU C C 13 175.942 . . . . . . . 54 GLU C . 19323 1 314 . 1 1 54 54 GLU CA C 13 57.264 . . . . . . . 54 GLU CA . 19323 1 315 . 1 1 54 54 GLU CB C 13 31.595 . . . . . . . 54 GLU CB . 19323 1 316 . 1 1 54 54 GLU N N 15 117.143 . . . . . . . 54 GLU N . 19323 1 317 . 1 1 55 55 VAL H H 1 7.058 . . . . . . . 55 VAL H . 19323 1 318 . 1 1 55 55 VAL HA H 1 4.319 . . . . . . . 55 VAL HA . 19323 1 319 . 1 1 55 55 VAL C C 13 175.343 . . . . . . . 55 VAL C . 19323 1 320 . 1 1 55 55 VAL CA C 13 57.676 . . . . . . . 55 VAL CA . 19323 1 321 . 1 1 55 55 VAL CB C 13 36.169 . . . . . . . 55 VAL CB . 19323 1 322 . 1 1 55 55 VAL N N 15 109.702 . . . . . . . 55 VAL N . 19323 1 323 . 1 1 56 56 ILE H H 1 7.689 . . . . . . . 56 ILE H . 19323 1 324 . 1 1 56 56 ILE HA H 1 3.841 . . . . . . . 56 ILE HA . 19323 1 325 . 1 1 56 56 ILE C C 13 177.028 . . . . . . . 56 ILE C . 19323 1 326 . 1 1 56 56 ILE CA C 13 62.234 . . . . . . . 56 ILE CA . 19323 1 327 . 1 1 56 56 ILE CB C 13 38.62 . . . . . . . 56 ILE CB . 19323 1 328 . 1 1 56 56 ILE N N 15 114.637 . . . . . . . 56 ILE N . 19323 1 329 . 1 1 57 57 LYS H H 1 8.346 . . . . . . . 57 LYS H . 19323 1 330 . 1 1 57 57 LYS HA H 1 3.975 . . . . . . . 57 LYS HA . 19323 1 331 . 1 1 57 57 LYS C C 13 179.092 . . . . . . . 57 LYS C . 19323 1 332 . 1 1 57 57 LYS CA C 13 59.724 . . . . . . . 57 LYS CA . 19323 1 333 . 1 1 57 57 LYS CB C 13 32.758 . . . . . . . 57 LYS CB . 19323 1 334 . 1 1 57 57 LYS N N 15 123.104 . . . . . . . 57 LYS N . 19323 1 335 . 1 1 58 58 GLY H H 1 9.519 . . . . . . . 58 GLY H . 19323 1 336 . 1 1 58 58 GLY HA2 H 1 3.434 . . . . . . . 58 GLY HA2 . 19323 1 337 . 1 1 58 58 GLY HA3 H 1 3.618 . . . . . . . 58 GLY HA3 . 19323 1 338 . 1 1 58 58 GLY C C 13 174.115 . . . . . . . 58 GLY C . 19323 1 339 . 1 1 58 58 GLY CA C 13 47.21 . . . . . . . 58 GLY CA . 19323 1 340 . 1 1 58 58 GLY N N 15 103.431 . . . . . . . 58 GLY N . 19323 1 341 . 1 1 59 59 PHE H H 1 6.854 . . . . . . . 59 PHE H . 19323 1 342 . 1 1 59 59 PHE HA H 1 3.597 . . . . . . . 59 PHE HA . 19323 1 343 . 1 1 59 59 PHE C C 13 176.276 . . . . . . . 59 PHE C . 19323 1 344 . 1 1 59 59 PHE CA C 13 59.675 . . . . . . . 59 PHE CA . 19323 1 345 . 1 1 59 59 PHE CB C 13 39.705 . . . . . . . 59 PHE CB . 19323 1 346 . 1 1 59 59 PHE N N 15 119.231 . . . . . . . 59 PHE N . 19323 1 347 . 1 1 60 60 GLU H H 1 7.267 . . . . . . . 60 GLU H . 19323 1 348 . 1 1 60 60 GLU HA H 1 3.751 . . . . . . . 60 GLU HA . 19323 1 349 . 1 1 60 60 GLU C C 13 177.281 . . . . . . . 60 GLU C . 19323 1 350 . 1 1 60 60 GLU CA C 13 60.186 . . . . . . . 60 GLU CA . 19323 1 351 . 1 1 60 60 GLU CB C 13 29.308 . . . . . . . 60 GLU CB . 19323 1 352 . 1 1 60 60 GLU N N 15 117.515 . . . . . . . 60 GLU N . 19323 1 353 . 1 1 61 61 GLU H H 1 8.7 . . . . . . . 61 GLU H . 19323 1 354 . 1 1 61 61 GLU HA H 1 3.916 . . . . . . . 61 GLU HA . 19323 1 355 . 1 1 61 61 GLU C C 13 180.102 . . . . . . . 61 GLU C . 19323 1 356 . 1 1 61 61 GLU CA C 13 59.066 . . . . . . . 61 GLU CA . 19323 1 357 . 1 1 61 61 GLU CB C 13 29.536 . . . . . . . 61 GLU CB . 19323 1 358 . 1 1 61 61 GLU N N 15 116.66 . . . . . . . 61 GLU N . 19323 1 359 . 1 1 62 62 GLY H H 1 7.882 . . . . . . . 62 GLY H . 19323 1 360 . 1 1 62 62 GLY HA2 H 1 3.451 . . . . . . . 62 GLY HA2 . 19323 1 361 . 1 1 62 62 GLY HA3 H 1 3.618 . . . . . . . 62 GLY HA3 . 19323 1 362 . 1 1 62 62 GLY C C 13 173.908 . . . . . . . 62 GLY C . 19323 1 363 . 1 1 62 62 GLY CA C 13 47.243 . . . . . . . 62 GLY CA . 19323 1 364 . 1 1 62 62 GLY N N 15 105.528 . . . . . . . 62 GLY N . 19323 1 365 . 1 1 63 63 ALA H H 1 8.201 . . . . . . . 63 ALA H . 19323 1 366 . 1 1 63 63 ALA HA H 1 4.057 . . . . . . . 63 ALA HA . 19323 1 367 . 1 1 63 63 ALA C C 13 178.98 . . . . . . . 63 ALA C . 19323 1 368 . 1 1 63 63 ALA CA C 13 55.01 . . . . . . . 63 ALA CA . 19323 1 369 . 1 1 63 63 ALA CB C 13 17.315 . . . . . . . 63 ALA CB . 19323 1 370 . 1 1 63 63 ALA N N 15 123.128 . . . . . . . 63 ALA N . 19323 1 371 . 1 1 64 64 ALA H H 1 8.054 . . . . . . . 64 ALA H . 19323 1 372 . 1 1 64 64 ALA HA H 1 3.863 . . . . . . . 64 ALA HA . 19323 1 373 . 1 1 64 64 ALA C C 13 178.012 . . . . . . . 64 ALA C . 19323 1 374 . 1 1 64 64 ALA CA C 13 54.176 . . . . . . . 64 ALA CA . 19323 1 375 . 1 1 64 64 ALA CB C 13 18.205 . . . . . . . 64 ALA CB . 19323 1 376 . 1 1 64 64 ALA N N 15 113.789 . . . . . . . 64 ALA N . 19323 1 377 . 1 1 65 65 GLN H H 1 7.307 . . . . . . . 65 GLN H . 19323 1 378 . 1 1 65 65 GLN HA H 1 4.271 . . . . . . . 65 GLN HA . 19323 1 379 . 1 1 65 65 GLN C C 13 175.262 . . . . . . . 65 GLN C . 19323 1 380 . 1 1 65 65 GLN CA C 13 55.056 . . . . . . . 65 GLN CA . 19323 1 381 . 1 1 65 65 GLN CB C 13 30.445 . . . . . . . 65 GLN CB . 19323 1 382 . 1 1 65 65 GLN N N 15 113.226 . . . . . . . 65 GLN N . 19323 1 383 . 1 1 66 66 MET H H 1 7.761 . . . . . . . 66 MET H . 19323 1 384 . 1 1 66 66 MET HA H 1 4.651 . . . . . . . 66 MET HA . 19323 1 385 . 1 1 66 66 MET C C 13 172.373 . . . . . . . 66 MET C . 19323 1 386 . 1 1 66 66 MET CA C 13 54.794 . . . . . . . 66 MET CA . 19323 1 387 . 1 1 66 66 MET CB C 13 35.417 . . . . . . . 66 MET CB . 19323 1 388 . 1 1 66 66 MET N N 15 122.745 . . . . . . . 66 MET N . 19323 1 389 . 1 1 67 67 SER H H 1 8.182 . . . . . . . 67 SER H . 19323 1 390 . 1 1 67 67 SER HA H 1 4.726 . . . . . . . 67 SER HA . 19323 1 391 . 1 1 67 67 SER C C 13 176.185 . . . . . . . 67 SER C . 19323 1 392 . 1 1 67 67 SER CA C 13 54.2 . . . . . . . 67 SER CA . 19323 1 393 . 1 1 67 67 SER CB C 13 65.909 . . . . . . . 67 SER CB . 19323 1 394 . 1 1 67 67 SER N N 15 107.285 . . . . . . . 67 SER N . 19323 1 395 . 1 1 68 68 LEU H H 1 7.531 . . . . . . . 68 LEU H . 19323 1 396 . 1 1 68 68 LEU HA H 1 3.472 . . . . . . . 68 LEU HA . 19323 1 397 . 1 1 68 68 LEU C C 13 177.209 . . . . . . . 68 LEU C . 19323 1 398 . 1 1 68 68 LEU CA C 13 57.73 . . . . . . . 68 LEU CA . 19323 1 399 . 1 1 68 68 LEU CB C 13 43.305 . . . . . . . 68 LEU CB . 19323 1 400 . 1 1 68 68 LEU N N 15 119.054 . . . . . . . 68 LEU N . 19323 1 401 . 1 1 69 69 GLY H H 1 8.441 . . . . . . . 69 GLY H . 19323 1 402 . 1 1 69 69 GLY HA2 H 1 4.279 . . . . . . . 69 GLY HA2 . 19323 1 403 . 1 1 69 69 GLY HA3 H 1 3.776 . . . . . . . 69 GLY HA3 . 19323 1 404 . 1 1 69 69 GLY C C 13 173.955 . . . . . . . 69 GLY C . 19323 1 405 . 1 1 69 69 GLY CA C 13 44.783 . . . . . . . 69 GLY CA . 19323 1 406 . 1 1 69 69 GLY N N 15 114.661 . . . . . . . 69 GLY N . 19323 1 407 . 1 1 70 70 GLN H H 1 8.654 . . . . . . . 70 GLN H . 19323 1 408 . 1 1 70 70 GLN HA H 1 3.92 . . . . . . . 70 GLN HA . 19323 1 409 . 1 1 70 70 GLN C C 13 173.594 . . . . . . . 70 GLN C . 19323 1 410 . 1 1 70 70 GLN CA C 13 55.877 . . . . . . . 70 GLN CA . 19323 1 411 . 1 1 70 70 GLN CB C 13 30.495 . . . . . . . 70 GLN CB . 19323 1 412 . 1 1 70 70 GLN N N 15 123.251 . . . . . . . 70 GLN N . 19323 1 413 . 1 1 71 71 ARG H H 1 8.778 . . . . . . . 71 ARG H . 19323 1 414 . 1 1 71 71 ARG HA H 1 5.723 . . . . . . . 71 ARG HA . 19323 1 415 . 1 1 71 71 ARG C C 13 175.605 . . . . . . . 71 ARG C . 19323 1 416 . 1 1 71 71 ARG CA C 13 53.871 . . . . . . . 71 ARG CA . 19323 1 417 . 1 1 71 71 ARG CB C 13 33.609 . . . . . . . 71 ARG CB . 19323 1 418 . 1 1 71 71 ARG N N 15 123.785 . . . . . . . 71 ARG N . 19323 1 419 . 1 1 72 72 ALA H H 1 9.888 . . . . . . . 72 ALA H . 19323 1 420 . 1 1 72 72 ALA HA H 1 5.041 . . . . . . . 72 ALA HA . 19323 1 421 . 1 1 72 72 ALA C C 13 173.192 . . . . . . . 72 ALA C . 19323 1 422 . 1 1 72 72 ALA CA C 13 51.152 . . . . . . . 72 ALA CA . 19323 1 423 . 1 1 72 72 ALA CB C 13 23.42 . . . . . . . 72 ALA CB . 19323 1 424 . 1 1 72 72 ALA N N 15 130.718 . . . . . . . 72 ALA N . 19323 1 425 . 1 1 73 73 LYS H H 1 9.132 . . . . . . . 73 LYS H . 19323 1 426 . 1 1 73 73 LYS HA H 1 5.283 . . . . . . . 73 LYS HA . 19323 1 427 . 1 1 73 73 LYS C C 13 175.869 . . . . . . . 73 LYS C . 19323 1 428 . 1 1 73 73 LYS CA C 13 54.669 . . . . . . . 73 LYS CA . 19323 1 429 . 1 1 73 73 LYS CB C 13 34.456 . . . . . . . 73 LYS CB . 19323 1 430 . 1 1 73 73 LYS N N 15 119.983 . . . . . . . 73 LYS N . 19323 1 431 . 1 1 74 74 LEU H H 1 9.924 . . . . . . . 74 LEU H . 19323 1 432 . 1 1 74 74 LEU HA H 1 5.258 . . . . . . . 74 LEU HA . 19323 1 433 . 1 1 74 74 LEU C C 13 176.39 . . . . . . . 74 LEU C . 19323 1 434 . 1 1 74 74 LEU CA C 13 52.853 . . . . . . . 74 LEU CA . 19323 1 435 . 1 1 74 74 LEU CB C 13 43.772 . . . . . . . 74 LEU CB . 19323 1 436 . 1 1 74 74 LEU N N 15 128.313 . . . . . . . 74 LEU N . 19323 1 437 . 1 1 75 75 THR H H 1 9.07 . . . . . . . 75 THR H . 19323 1 438 . 1 1 75 75 THR HA H 1 5.048 . . . . . . . 75 THR HA . 19323 1 439 . 1 1 75 75 THR C C 13 175.317 . . . . . . . 75 THR C . 19323 1 440 . 1 1 75 75 THR CA C 13 63.036 . . . . . . . 75 THR CA . 19323 1 441 . 1 1 75 75 THR CB C 13 69.098 . . . . . . . 75 THR CB . 19323 1 442 . 1 1 75 75 THR N N 15 121.107 . . . . . . . 75 THR N . 19323 1 443 . 1 1 76 76 CYS H H 1 9.736 . . . . . . . 76 CYS H . 19323 1 444 . 1 1 76 76 CYS HA H 1 4.896 . . . . . . . 76 CYS HA . 19323 1 445 . 1 1 76 76 CYS C C 13 173.34 . . . . . . . 76 CYS C . 19323 1 446 . 1 1 76 76 CYS CA C 13 57.523 . . . . . . . 76 CYS CA . 19323 1 447 . 1 1 76 76 CYS CB C 13 30.134 . . . . . . . 76 CYS CB . 19323 1 448 . 1 1 76 76 CYS N N 15 125.468 . . . . . . . 76 CYS N . 19323 1 449 . 1 1 77 77 THR H H 1 7.864 . . . . . . . 77 THR H . 19323 1 450 . 1 1 77 77 THR HA H 1 4.489 . . . . . . . 77 THR HA . 19323 1 451 . 1 1 77 77 THR C C 13 173.405 . . . . . . . 77 THR C . 19323 1 452 . 1 1 77 77 THR CA C 13 61.414 . . . . . . . 77 THR CA . 19323 1 453 . 1 1 77 77 THR CB C 13 67.167 . . . . . . . 77 THR CB . 19323 1 454 . 1 1 77 77 THR N N 15 114.366 . . . . . . . 77 THR N . 19323 1 455 . 1 1 78 78 PRO HA H 1 4.308 . . . . . . . 78 PRO HA . 19323 1 456 . 1 1 78 78 PRO C C 13 179.126 . . . . . . . 78 PRO C . 19323 1 457 . 1 1 78 78 PRO CA C 13 65.747 . . . . . . . 78 PRO CA . 19323 1 458 . 1 1 78 78 PRO CB C 13 30.808 . . . . . . . 78 PRO CB . 19323 1 459 . 1 1 79 79 ASP H H 1 8.939 . . . . . . . 79 ASP H . 19323 1 460 . 1 1 79 79 ASP HA H 1 4.297 . . . . . . . 79 ASP HA . 19323 1 461 . 1 1 79 79 ASP C C 13 177.204 . . . . . . . 79 ASP C . 19323 1 462 . 1 1 79 79 ASP CA C 13 55.516 . . . . . . . 79 ASP CA . 19323 1 463 . 1 1 79 79 ASP CB C 13 38.884 . . . . . . . 79 ASP CB . 19323 1 464 . 1 1 79 79 ASP N N 15 114.29 . . . . . . . 79 ASP N . 19323 1 465 . 1 1 80 80 VAL H H 1 7.468 . . . . . . . 80 VAL H . 19323 1 466 . 1 1 80 80 VAL HA H 1 4.532 . . . . . . . 80 VAL HA . 19323 1 467 . 1 1 80 80 VAL C C 13 173.362 . . . . . . . 80 VAL C . 19323 1 468 . 1 1 80 80 VAL CA C 13 59.868 . . . . . . . 80 VAL CA . 19323 1 469 . 1 1 80 80 VAL CB C 13 30.432 . . . . . . . 80 VAL CB . 19323 1 470 . 1 1 80 80 VAL N N 15 111.814 . . . . . . . 80 VAL N . 19323 1 471 . 1 1 81 81 ALA H H 1 7.648 . . . . . . . 81 ALA H . 19323 1 472 . 1 1 81 81 ALA HA H 1 4.462 . . . . . . . 81 ALA HA . 19323 1 473 . 1 1 81 81 ALA C C 13 175.893 . . . . . . . 81 ALA C . 19323 1 474 . 1 1 81 81 ALA CA C 13 51.454 . . . . . . . 81 ALA CA . 19323 1 475 . 1 1 81 81 ALA CB C 13 19.207 . . . . . . . 81 ALA CB . 19323 1 476 . 1 1 81 81 ALA N N 15 126.897 . . . . . . . 81 ALA N . 19323 1 477 . 1 1 82 82 TYR H H 1 9.336 . . . . . . . 82 TYR H . 19323 1 478 . 1 1 82 82 TYR HA H 1 4.52 . . . . . . . 82 TYR HA . 19323 1 479 . 1 1 82 82 TYR C C 13 176.631 . . . . . . . 82 TYR C . 19323 1 480 . 1 1 82 82 TYR CA C 13 58.946 . . . . . . . 82 TYR CA . 19323 1 481 . 1 1 82 82 TYR CB C 13 37.638 . . . . . . . 82 TYR CB . 19323 1 482 . 1 1 82 82 TYR N N 15 121.715 . . . . . . . 82 TYR N . 19323 1 483 . 1 1 83 83 GLY H H 1 8.488 . . . . . . . 83 GLY H . 19323 1 484 . 1 1 83 83 GLY HA2 H 1 3.592 . . . . . . . 83 GLY HA2 . 19323 1 485 . 1 1 83 83 GLY HA3 H 1 3.89 . . . . . . . 83 GLY HA3 . 19323 1 486 . 1 1 83 83 GLY C C 13 175.022 . . . . . . . 83 GLY C . 19323 1 487 . 1 1 83 83 GLY CA C 13 46.591 . . . . . . . 83 GLY CA . 19323 1 488 . 1 1 83 83 GLY N N 15 107.748 . . . . . . . 83 GLY N . 19323 1 489 . 1 1 84 84 ALA HA H 1 4.116 . . . . . . . 84 ALA HA . 19323 1 490 . 1 1 84 84 ALA C C 13 178.309 . . . . . . . 84 ALA C . 19323 1 491 . 1 1 84 84 ALA CA C 13 53.841 . . . . . . . 84 ALA CA . 19323 1 492 . 1 1 84 84 ALA CB C 13 18.773 . . . . . . . 84 ALA CB . 19323 1 493 . 1 1 85 85 THR H H 1 8.005 . . . . . . . 85 THR H . 19323 1 494 . 1 1 85 85 THR HA H 1 4.059 . . . . . . . 85 THR HA . 19323 1 495 . 1 1 85 85 THR C C 13 177.188 . . . . . . . 85 THR C . 19323 1 496 . 1 1 85 85 THR CA C 13 63.968 . . . . . . . 85 THR CA . 19323 1 497 . 1 1 85 85 THR CB C 13 69.409 . . . . . . . 85 THR CB . 19323 1 498 . 1 1 85 85 THR N N 15 109.104 . . . . . . . 85 THR N . 19323 1 499 . 1 1 86 86 GLY H H 1 7.352 . . . . . . . 86 GLY H . 19323 1 500 . 1 1 86 86 GLY HA2 H 1 3.667 . . . . . . . 86 GLY HA2 . 19323 1 501 . 1 1 86 86 GLY HA3 H 1 3.372 . . . . . . . 86 GLY HA3 . 19323 1 502 . 1 1 86 86 GLY C C 13 171.431 . . . . . . . 86 GLY C . 19323 1 503 . 1 1 86 86 GLY CA C 13 45.053 . . . . . . . 86 GLY CA . 19323 1 504 . 1 1 86 86 GLY N N 15 106.718 . . . . . . . 86 GLY N . 19323 1 505 . 1 1 87 87 HIS H H 1 8.768 . . . . . . . 87 HIS H . 19323 1 506 . 1 1 87 87 HIS HA H 1 5.022 . . . . . . . 87 HIS HA . 19323 1 507 . 1 1 87 87 HIS C C 13 172.496 . . . . . . . 87 HIS C . 19323 1 508 . 1 1 87 87 HIS CA C 13 52.886 . . . . . . . 87 HIS CA . 19323 1 509 . 1 1 87 87 HIS CB C 13 32.533 . . . . . . . 87 HIS CB . 19323 1 510 . 1 1 87 87 HIS N N 15 121.750 . . . . . . . 87 HIS N . 19323 1 511 . 1 1 88 88 PRO HA H 1 4.06 . . . . . . . 88 PRO HA . 19323 1 512 . 1 1 88 88 PRO C C 13 176.283 . . . . . . . 88 PRO C . 19323 1 513 . 1 1 88 88 PRO CA C 13 65.029 . . . . . . . 88 PRO CA . 19323 1 514 . 1 1 88 88 PRO CB C 13 31.762 . . . . . . . 88 PRO CB . 19323 1 515 . 1 1 89 89 GLY H H 1 8.544 . . . . . . . 89 GLY H . 19323 1 516 . 1 1 89 89 GLY HA2 H 1 3.516 . . . . . . . 89 GLY HA2 . 19323 1 517 . 1 1 89 89 GLY HA3 H 1 4.12 . . . . . . . 89 GLY HA3 . 19323 1 518 . 1 1 89 89 GLY C C 13 174.025 . . . . . . . 89 GLY C . 19323 1 519 . 1 1 89 89 GLY CA C 13 45.137 . . . . . . . 89 GLY CA . 19323 1 520 . 1 1 89 89 GLY N N 15 113.15 . . . . . . . 89 GLY N . 19323 1 521 . 1 1 90 90 VAL H H 1 8.168 . . . . . . . 90 VAL H . 19323 1 522 . 1 1 90 90 VAL HA H 1 4.085 . . . . . . . 90 VAL HA . 19323 1 523 . 1 1 90 90 VAL C C 13 174.34 . . . . . . . 90 VAL C . 19323 1 524 . 1 1 90 90 VAL CA C 13 64.135 . . . . . . . 90 VAL CA . 19323 1 525 . 1 1 90 90 VAL CB C 13 35.863 . . . . . . . 90 VAL CB . 19323 1 526 . 1 1 90 90 VAL N N 15 118.98 . . . . . . . 90 VAL N . 19323 1 527 . 1 1 91 91 ILE H H 1 8.334 . . . . . . . 91 ILE H . 19323 1 528 . 1 1 91 91 ILE HA H 1 4.431 . . . . . . . 91 ILE HA . 19323 1 529 . 1 1 91 91 ILE C C 13 174.379 . . . . . . . 91 ILE C . 19323 1 530 . 1 1 91 91 ILE CA C 13 56.086 . . . . . . . 91 ILE CA . 19323 1 531 . 1 1 91 91 ILE CB C 13 40.443 . . . . . . . 91 ILE CB . 19323 1 532 . 1 1 91 91 ILE N N 15 119.094 . . . . . . . 91 ILE N . 19323 1 533 . 1 1 92 92 PRO HA H 1 4.655 . . . . . . . 92 PRO HA . 19323 1 534 . 1 1 92 92 PRO CA C 13 61.498 . . . . . . . 92 PRO CA . 19323 1 535 . 1 1 92 92 PRO CB C 13 30.844 . . . . . . . 92 PRO CB . 19323 1 536 . 1 1 93 93 PRO HA H 1 3.643 . . . . . . . 93 PRO HA . 19323 1 537 . 1 1 93 93 PRO C C 13 176.001 . . . . . . . 93 PRO C . 19323 1 538 . 1 1 93 93 PRO CA C 13 63.556 . . . . . . . 93 PRO CA . 19323 1 539 . 1 1 93 93 PRO CB C 13 33.078 . . . . . . . 93 PRO CB . 19323 1 540 . 1 1 94 94 ASN H H 1 8.234 . . . . . . . 94 ASN H . 19323 1 541 . 1 1 94 94 ASN HA H 1 3.823 . . . . . . . 94 ASN HA . 19323 1 542 . 1 1 94 94 ASN C C 13 173.38 . . . . . . . 94 ASN C . 19323 1 543 . 1 1 94 94 ASN CA C 13 54.25 . . . . . . . 94 ASN CA . 19323 1 544 . 1 1 94 94 ASN CB C 13 37.284 . . . . . . . 94 ASN CB . 19323 1 545 . 1 1 94 94 ASN N N 15 116.975 . . . . . . . 94 ASN N . 19323 1 546 . 1 1 95 95 ALA H H 1 7.78 . . . . . . . 95 ALA H . 19323 1 547 . 1 1 95 95 ALA HA H 1 4.333 . . . . . . . 95 ALA HA . 19323 1 548 . 1 1 95 95 ALA C C 13 176.968 . . . . . . . 95 ALA C . 19323 1 549 . 1 1 95 95 ALA CA C 13 52.475 . . . . . . . 95 ALA CA . 19323 1 550 . 1 1 95 95 ALA CB C 13 20.535 . . . . . . . 95 ALA CB . 19323 1 551 . 1 1 95 95 ALA N N 15 121.149 . . . . . . . 95 ALA N . 19323 1 552 . 1 1 96 96 THR H H 1 8.292 . . . . . . . 96 THR H . 19323 1 553 . 1 1 96 96 THR HA H 1 4.527 . . . . . . . 96 THR HA . 19323 1 554 . 1 1 96 96 THR C C 13 173.426 . . . . . . . 96 THR C . 19323 1 555 . 1 1 96 96 THR CA C 13 63.34 . . . . . . . 96 THR CA . 19323 1 556 . 1 1 96 96 THR CB C 13 69.449 . . . . . . . 96 THR CB . 19323 1 557 . 1 1 96 96 THR N N 15 122.324 . . . . . . . 96 THR N . 19323 1 558 . 1 1 97 97 LEU H H 1 8.486 . . . . . . . 97 LEU H . 19323 1 559 . 1 1 97 97 LEU HA H 1 4.925 . . . . . . . 97 LEU HA . 19323 1 560 . 1 1 97 97 LEU C C 13 174.774 . . . . . . . 97 LEU C . 19323 1 561 . 1 1 97 97 LEU CA C 13 52.845 . . . . . . . 97 LEU CA . 19323 1 562 . 1 1 97 97 LEU CB C 13 45.798 . . . . . . . 97 LEU CB . 19323 1 563 . 1 1 97 97 LEU N N 15 124.856 . . . . . . . 97 LEU N . 19323 1 564 . 1 1 98 98 ILE H H 1 8.737 . . . . . . . 98 ILE H . 19323 1 565 . 1 1 98 98 ILE HA H 1 5.147 . . . . . . . 98 ILE HA . 19323 1 566 . 1 1 98 98 ILE C C 13 175.312 . . . . . . . 98 ILE C . 19323 1 567 . 1 1 98 98 ILE CA C 13 59.62 . . . . . . . 98 ILE CA . 19323 1 568 . 1 1 98 98 ILE CB C 13 40.52 . . . . . . . 98 ILE CB . 19323 1 569 . 1 1 98 98 ILE N N 15 121.324 . . . . . . . 98 ILE N . 19323 1 570 . 1 1 99 99 PHE H H 1 9.601 . . . . . . . 99 PHE H . 19323 1 571 . 1 1 99 99 PHE HA H 1 5.702 . . . . . . . 99 PHE HA . 19323 1 572 . 1 1 99 99 PHE C C 13 174.529 . . . . . . . 99 PHE C . 19323 1 573 . 1 1 99 99 PHE CA C 13 55.66 . . . . . . . 99 PHE CA . 19323 1 574 . 1 1 99 99 PHE CB C 13 43.272 . . . . . . . 99 PHE CB . 19323 1 575 . 1 1 99 99 PHE N N 15 122.438 . . . . . . . 99 PHE N . 19323 1 576 . 1 1 100 100 ASP H H 1 8.893 . . . . . . . 100 ASP H . 19323 1 577 . 1 1 100 100 ASP HA H 1 5.11 . . . . . . . 100 ASP HA . 19323 1 578 . 1 1 100 100 ASP C C 13 176.701 . . . . . . . 100 ASP C . 19323 1 579 . 1 1 100 100 ASP CA C 13 52.875 . . . . . . . 100 ASP CA . 19323 1 580 . 1 1 100 100 ASP CB C 13 42.145 . . . . . . . 100 ASP CB . 19323 1 581 . 1 1 100 100 ASP N N 15 124.557 . . . . . . . 100 ASP N . 19323 1 582 . 1 1 101 101 VAL H H 1 9.527 . . . . . . . 101 VAL H . 19323 1 583 . 1 1 101 101 VAL HA H 1 5.022 . . . . . . . 101 VAL HA . 19323 1 584 . 1 1 101 101 VAL C C 13 172.658 . . . . . . . 101 VAL C . 19323 1 585 . 1 1 101 101 VAL CA C 13 61.248 . . . . . . . 101 VAL CA . 19323 1 586 . 1 1 101 101 VAL CB C 13 35.491 . . . . . . . 101 VAL CB . 19323 1 587 . 1 1 101 101 VAL N N 15 126.782 . . . . . . . 101 VAL N . 19323 1 588 . 1 1 102 102 GLU H H 1 9.202 . . . . . . . 102 GLU H . 19323 1 589 . 1 1 102 102 GLU HA H 1 5.346 . . . . . . . 102 GLU HA . 19323 1 590 . 1 1 102 102 GLU C C 13 175.026 . . . . . . . 102 GLU C . 19323 1 591 . 1 1 102 102 GLU CA C 13 54.01 . . . . . . . 102 GLU CA . 19323 1 592 . 1 1 102 102 GLU CB C 13 33.832 . . . . . . . 102 GLU CB . 19323 1 593 . 1 1 102 102 GLU N N 15 127.776 . . . . . . . 102 GLU N . 19323 1 594 . 1 1 103 103 LEU H H 1 8.649 . . . . . . . 103 LEU H . 19323 1 595 . 1 1 103 103 LEU HA H 1 4.636 . . . . . . . 103 LEU HA . 19323 1 596 . 1 1 103 103 LEU C C 13 174.384 . . . . . . . 103 LEU C . 19323 1 597 . 1 1 103 103 LEU CA C 13 54.564 . . . . . . . 103 LEU CA . 19323 1 598 . 1 1 103 103 LEU CB C 13 41.176 . . . . . . . 103 LEU CB . 19323 1 599 . 1 1 103 103 LEU N N 15 128.292 . . . . . . . 103 LEU N . 19323 1 600 . 1 1 104 104 LEU H H 1 8.716 . . . . . . . 104 LEU H . 19323 1 601 . 1 1 104 104 LEU HA H 1 4.154 . . . . . . . 104 LEU HA . 19323 1 602 . 1 1 104 104 LEU C C 13 177.608 . . . . . . . 104 LEU C . 19323 1 603 . 1 1 104 104 LEU CA C 13 56.591 . . . . . . . 104 LEU CA . 19323 1 604 . 1 1 104 104 LEU CB C 13 43.145 . . . . . . . 104 LEU CB . 19323 1 605 . 1 1 104 104 LEU N N 15 127.802 . . . . . . . 104 LEU N . 19323 1 606 . 1 1 105 105 ASN H H 1 7.906 . . . . . . . 105 ASN H . 19323 1 607 . 1 1 105 105 ASN HA H 1 4.715 . . . . . . . 105 ASN HA . 19323 1 608 . 1 1 105 105 ASN C C 13 171.834 . . . . . . . 105 ASN C . 19323 1 609 . 1 1 105 105 ASN CA C 13 52.166 . . . . . . . 105 ASN CA . 19323 1 610 . 1 1 105 105 ASN CB C 13 41.629 . . . . . . . 105 ASN CB . 19323 1 611 . 1 1 105 105 ASN N N 15 111.239 . . . . . . . 105 ASN N . 19323 1 612 . 1 1 106 106 LEU H H 1 7.755 . . . . . . . 106 LEU H . 19323 1 613 . 1 1 106 106 LEU HA H 1 4.975 . . . . . . . 106 LEU HA . 19323 1 614 . 1 1 106 106 LEU C C 13 175.186 . . . . . . . 106 LEU C . 19323 1 615 . 1 1 106 106 LEU CA C 13 53.72 . . . . . . . 106 LEU CA . 19323 1 616 . 1 1 106 106 LEU CB C 13 45.306 . . . . . . . 106 LEU CB . 19323 1 617 . 1 1 106 106 LEU N N 15 120.807 . . . . . . . 106 LEU N . 19323 1 618 . 1 1 107 107 GLU H H 1 8.742 . . . . . . . 107 GLU H . 19323 1 619 . 1 1 107 107 GLU HA H 1 4.203 . . . . . . . 107 GLU HA . 19323 1 620 . 1 1 107 107 GLU C C 13 180.525 . . . . . . . 107 GLU C . 19323 1 621 . 1 1 107 107 GLU CA C 13 56.656 . . . . . . . 107 GLU CA . 19323 1 622 . 1 1 107 107 GLU CB C 13 32.184 . . . . . . . 107 GLU CB . 19323 1 623 . 1 1 107 107 GLU N N 15 126.477 . . . . . . . 107 GLU N . 19323 1 stop_ save_