data_19766 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19766 _Entry.Title ; Cooperative Structure of the Heterotrimeric pre-mRNA Retention and Splicing Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-04 _Entry.Accession_date 2014-02-04 _Entry.Last_release_date 2014-08-27 _Entry.Original_release_date 2014-08-27 _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 'Heterotrimeric complex composed of Snu17p/Ist3p(25-138), Bud13p(215-245) and Pml1p(22-42)' _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 Piotr Wysoczanski . . . 19766 2 Cornelius Schneider . . . 19766 3 ShengQi Xiang . . . 19766 4 Francesca Munari . . . 19766 5 Simon Trowitzsch . . . 19766 6 Markus Wahl . C. . 19766 7 Reinhard Luhrmann . . . 19766 8 Stefan Becker . . . 19766 9 Markus Zweckstetter . . . 19766 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19766 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Bud13p . 19766 cooperativity . 19766 heterotrimer . 19766 Ist3p . 19766 Pml1p . 19766 RES . 19766 RRM . 19766 Snu17p . 19766 spliceosome . 19766 splicing . 19766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 705 19766 '15N chemical shifts' 180 19766 '1H chemical shifts' 1188 19766 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 . . 2014-08-27 2014-02-04 original author . 19766 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mkc 'BMRB Entry Tracking System' 19766 stop_ save_ ############### # Citations # ############### save_THE_CITATION _Citation.Sf_category citations _Citation.Sf_framecode THE_CITATION _Citation.Entry_ID 19766 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/nsmb.2889 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Cooperative structure of the heterotrimeric pre-mRNA retention and splicing complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural and molecular biology' _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Piotr Wysoczanski . . . 19766 1 2 Cornelius Schneider . . . 19766 1 3 ShengQi Xiang . . . 19766 1 4 Francesca Munari . . . 19766 1 5 Simon Trowitzsch . . . 19766 1 6 Markus Wahl . C. . 19766 1 7 Reinhard Luhrmann . . . 19766 1 8 Stefan Becker . . . 19766 1 9 Markus Zweckstetter . . . 19766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19766 _Assembly.ID 1 _Assembly.Name 'Heterotrimeric pre-mRNA Retention and Splicing Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 Snu17p 1 $Snu17p A . yes native no no . . . 19766 1 2 Pml1p 2 $Pml1p B . yes native no no . . . 19766 1 3 Bud13p 3 $Bud13p C . yes native no no . . . 19766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Snu17p _Entity.Sf_category entity _Entity.Sf_framecode Snu17p _Entity.Entry_ID 19766 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Snu17p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGNEYKDNAYIYIGNLNR ELTEGDILTVFSEYGVPVDV ILSRDENTGESQGFAYLKYE DQRSTILAVDNLNGFKIGGR ALKIDHTFYRPKRSLQKYYE AVKEELDRDIVSKNNAEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 1-118 in the deposited structure corresponds to residues 21-138. The first 4 (G21, A22, M23, G24) residues are cloning artifacts' _Entity.Polymer_author_seq_details 'as above' _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'core Snu17p, cSnu17p' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13496.103 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-08-05 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 UNP P40565 . "U2 snRNP component IST3" . . . . . . . . . . . . . . 19766 1 2 no BMRB 25047 . RRM . . . . . 78.81 93 100.00 100.00 6.93e-60 . . . . 19766 1 3 no PDB 2MKC . "Cooperative Structure Of The Heterotrimeric Pre-mrna Retention And Splicing Complex" . . . . . 100.00 118 100.00 100.00 2.47e-78 . . . . 19766 1 4 no PDB 4UQT . "Rrm-peptide Structure In Res Complex" . . . . . 78.81 93 100.00 100.00 6.93e-60 . . . . 19766 1 5 no DBJ GAA24120 . "K7_Ist3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 6 no EMBL CAA86207 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 7 no EMBL CAY80517 . "Ist3p [Saccharomyces cerevisiae EC1118]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 8 no GB AAS56407 . "YIR005W [Saccharomyces cerevisiae]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 9 no GB AEO21093 . "IST3 [synthetic construct]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 10 no GB AHY76002 . "Ist3p [Saccharomyces cerevisiae YJM993]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 11 no GB AJP39470 . "Ist3p [Saccharomyces cerevisiae YJM1078]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 12 no GB AJR36763 . "Ist3p [Saccharomyces cerevisiae YJM189]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 13 no REF NP_012270 . "Ist3p [Saccharomyces cerevisiae S288c]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 14 no SP P40565 . "RecName: Full=U2 snRNP component IST3; AltName: Full=Increased sodium tolerance protein 3; AltName: Full=U2 snRNP protein SNU17" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 1 15 no TPG DAA08551 . "TPA: Ist3p [Saccharomyces cerevisiae S288c]" . . . . . 99.15 148 97.44 98.29 2.86e-75 . . . . 19766 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 . 19766 1 2 . ALA . 19766 1 3 . MET . 19766 1 4 . GLY . 19766 1 5 . ASN . 19766 1 6 . GLU . 19766 1 7 . TYR . 19766 1 8 . LYS . 19766 1 9 . ASP . 19766 1 10 . ASN . 19766 1 11 . ALA . 19766 1 12 . TYR . 19766 1 13 . ILE . 19766 1 14 . TYR . 19766 1 15 . ILE . 19766 1 16 . GLY . 19766 1 17 . ASN . 19766 1 18 . LEU . 19766 1 19 . ASN . 19766 1 20 . ARG . 19766 1 21 . GLU . 19766 1 22 . LEU . 19766 1 23 . THR . 19766 1 24 . GLU . 19766 1 25 . GLY . 19766 1 26 . ASP . 19766 1 27 . ILE . 19766 1 28 . LEU . 19766 1 29 . THR . 19766 1 30 . VAL . 19766 1 31 . PHE . 19766 1 32 . SER . 19766 1 33 . GLU . 19766 1 34 . TYR . 19766 1 35 . GLY . 19766 1 36 . VAL . 19766 1 37 . PRO . 19766 1 38 . VAL . 19766 1 39 . ASP . 19766 1 40 . VAL . 19766 1 41 . ILE . 19766 1 42 . LEU . 19766 1 43 . SER . 19766 1 44 . ARG . 19766 1 45 . ASP . 19766 1 46 . GLU . 19766 1 47 . ASN . 19766 1 48 . THR . 19766 1 49 . GLY . 19766 1 50 . GLU . 19766 1 51 . SER . 19766 1 52 . GLN . 19766 1 53 . GLY . 19766 1 54 . PHE . 19766 1 55 . ALA . 19766 1 56 . TYR . 19766 1 57 . LEU . 19766 1 58 . LYS . 19766 1 59 . TYR . 19766 1 60 . GLU . 19766 1 61 . ASP . 19766 1 62 . GLN . 19766 1 63 . ARG . 19766 1 64 . SER . 19766 1 65 . THR . 19766 1 66 . ILE . 19766 1 67 . LEU . 19766 1 68 . ALA . 19766 1 69 . VAL . 19766 1 70 . ASP . 19766 1 71 . ASN . 19766 1 72 . LEU . 19766 1 73 . ASN . 19766 1 74 . GLY . 19766 1 75 . PHE . 19766 1 76 . LYS . 19766 1 77 . ILE . 19766 1 78 . GLY . 19766 1 79 . GLY . 19766 1 80 . ARG . 19766 1 81 . ALA . 19766 1 82 . LEU . 19766 1 83 . LYS . 19766 1 84 . ILE . 19766 1 85 . ASP . 19766 1 86 . HIS . 19766 1 87 . THR . 19766 1 88 . PHE . 19766 1 89 . TYR . 19766 1 90 . ARG . 19766 1 91 . PRO . 19766 1 92 . LYS . 19766 1 93 . ARG . 19766 1 94 . SER . 19766 1 95 . LEU . 19766 1 96 . GLN . 19766 1 97 . LYS . 19766 1 98 . TYR . 19766 1 99 . TYR . 19766 1 100 . GLU . 19766 1 101 . ALA . 19766 1 102 . VAL . 19766 1 103 . LYS . 19766 1 104 . GLU . 19766 1 105 . GLU . 19766 1 106 . LEU . 19766 1 107 . ASP . 19766 1 108 . ARG . 19766 1 109 . ASP . 19766 1 110 . ILE . 19766 1 111 . VAL . 19766 1 112 . SER . 19766 1 113 . LYS . 19766 1 114 . ASN . 19766 1 115 . ASN . 19766 1 116 . ALA . 19766 1 117 . GLU . 19766 1 118 . LYS . 19766 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 19766 1 . ALA 2 2 19766 1 . MET 3 3 19766 1 . GLY 4 4 19766 1 . ASN 5 5 19766 1 . GLU 6 6 19766 1 . TYR 7 7 19766 1 . LYS 8 8 19766 1 . ASP 9 9 19766 1 . ASN 10 10 19766 1 . ALA 11 11 19766 1 . TYR 12 12 19766 1 . ILE 13 13 19766 1 . TYR 14 14 19766 1 . ILE 15 15 19766 1 . GLY 16 16 19766 1 . ASN 17 17 19766 1 . LEU 18 18 19766 1 . ASN 19 19 19766 1 . ARG 20 20 19766 1 . GLU 21 21 19766 1 . LEU 22 22 19766 1 . THR 23 23 19766 1 . GLU 24 24 19766 1 . GLY 25 25 19766 1 . ASP 26 26 19766 1 . ILE 27 27 19766 1 . LEU 28 28 19766 1 . THR 29 29 19766 1 . VAL 30 30 19766 1 . PHE 31 31 19766 1 . SER 32 32 19766 1 . GLU 33 33 19766 1 . TYR 34 34 19766 1 . GLY 35 35 19766 1 . VAL 36 36 19766 1 . PRO 37 37 19766 1 . VAL 38 38 19766 1 . ASP 39 39 19766 1 . VAL 40 40 19766 1 . ILE 41 41 19766 1 . LEU 42 42 19766 1 . SER 43 43 19766 1 . ARG 44 44 19766 1 . ASP 45 45 19766 1 . GLU 46 46 19766 1 . ASN 47 47 19766 1 . THR 48 48 19766 1 . GLY 49 49 19766 1 . GLU 50 50 19766 1 . SER 51 51 19766 1 . GLN 52 52 19766 1 . GLY 53 53 19766 1 . PHE 54 54 19766 1 . ALA 55 55 19766 1 . TYR 56 56 19766 1 . LEU 57 57 19766 1 . LYS 58 58 19766 1 . TYR 59 59 19766 1 . GLU 60 60 19766 1 . ASP 61 61 19766 1 . GLN 62 62 19766 1 . ARG 63 63 19766 1 . SER 64 64 19766 1 . THR 65 65 19766 1 . ILE 66 66 19766 1 . LEU 67 67 19766 1 . ALA 68 68 19766 1 . VAL 69 69 19766 1 . ASP 70 70 19766 1 . ASN 71 71 19766 1 . LEU 72 72 19766 1 . ASN 73 73 19766 1 . GLY 74 74 19766 1 . PHE 75 75 19766 1 . LYS 76 76 19766 1 . ILE 77 77 19766 1 . GLY 78 78 19766 1 . GLY 79 79 19766 1 . ARG 80 80 19766 1 . ALA 81 81 19766 1 . LEU 82 82 19766 1 . LYS 83 83 19766 1 . ILE 84 84 19766 1 . ASP 85 85 19766 1 . HIS 86 86 19766 1 . THR 87 87 19766 1 . PHE 88 88 19766 1 . TYR 89 89 19766 1 . ARG 90 90 19766 1 . PRO 91 91 19766 1 . LYS 92 92 19766 1 . ARG 93 93 19766 1 . SER 94 94 19766 1 . LEU 95 95 19766 1 . GLN 96 96 19766 1 . LYS 97 97 19766 1 . TYR 98 98 19766 1 . TYR 99 99 19766 1 . GLU 100 100 19766 1 . ALA 101 101 19766 1 . VAL 102 102 19766 1 . LYS 103 103 19766 1 . GLU 104 104 19766 1 . GLU 105 105 19766 1 . LEU 106 106 19766 1 . ASP 107 107 19766 1 . ARG 108 108 19766 1 . ASP 109 109 19766 1 . ILE 110 110 19766 1 . VAL 111 111 19766 1 . SER 112 112 19766 1 . LYS 113 113 19766 1 . ASN 114 114 19766 1 . ASN 115 115 19766 1 . ALA 116 116 19766 1 . GLU 117 117 19766 1 . LYS 118 118 19766 1 stop_ save_ save_Pml1p _Entity.Sf_category entity _Entity.Sf_framecode Pml1p _Entity.Entry_ID 19766 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Pml1p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKSQYIDIMPDFSPSGLLE LES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 1-23 in the deposited structure correspond to residues 20-42 and the first two residues (G20, S21) are cloning artifacts' _Entity.Polymer_author_seq_details 'as above' _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'core Pml1p, cPml1p' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2514.800 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 UNP Q07930 . "Pre-mRNA leakage protein 1" . . . . . . . . . . . . . . 19766 2 2 no PDB 2JKD . "Structure Of The Yeast Pml1 Splicing Factor And Its Integration Into The Res Complex" . . . . . 78.26 187 100.00 100.00 2.29e-02 . . . . 19766 2 3 no PDB 2MKC . "Cooperative Structure Of The Heterotrimeric Pre-mrna Retention And Splicing Complex" . . . . . 100.00 23 100.00 100.00 5.32e-06 . . . . 19766 2 4 no PDB 3ELV . "Crystal Structure Of Full-Length Yeast Pml1p" . . . . . 91.30 205 100.00 100.00 2.32e-04 . . . . 19766 2 5 no DBJ GAA24903 . "K7_Pml1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 6 no EMBL CAA62157 . "orf [Saccharomyces cerevisiae]" . . . . . 91.30 183 100.00 100.00 5.32e-05 . . . . 19766 2 7 no EMBL CAA97538 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 8 no EMBL CAY81254 . "Pml1p [Saccharomyces cerevisiae EC1118]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 9 no GB AAS56260 . "YLR016C [Saccharomyces cerevisiae]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 10 no GB AHY78422 . "Pml1p [Saccharomyces cerevisiae YJM993]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 11 no GB EDN59562 . "Pre-mRNA Leakage [Saccharomyces cerevisiae YJM789]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 12 no GB EDV09324 . "pre-mRNA leakage protein 1 [Saccharomyces cerevisiae RM11-1a]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 13 no GB EDZ70737 . "YLR016Cp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 14 no REF NP_013116 . "Pml1p [Saccharomyces cerevisiae S288c]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 15 no SP Q07930 . "RecName: Full=Pre-mRNA leakage protein 1 [Saccharomyces cerevisiae S288c]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 16 no TPG DAA09334 . "TPA: Pml1p [Saccharomyces cerevisiae S288c]" . . . . . 91.30 204 100.00 100.00 2.24e-04 . . . . 19766 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 200 GLY . 19766 2 2 201 SER . 19766 2 3 202 LYS . 19766 2 4 203 SER . 19766 2 5 204 GLN . 19766 2 6 205 TYR . 19766 2 7 206 ILE . 19766 2 8 207 ASP . 19766 2 9 208 ILE . 19766 2 10 209 MET . 19766 2 11 210 PRO . 19766 2 12 211 ASP . 19766 2 13 212 PHE . 19766 2 14 213 SER . 19766 2 15 214 PRO . 19766 2 16 215 SER . 19766 2 17 216 GLY . 19766 2 18 217 LEU . 19766 2 19 218 LEU . 19766 2 20 219 GLU . 19766 2 21 220 LEU . 19766 2 22 221 GLU . 19766 2 23 222 SER . 19766 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19766 2 . SER 2 2 19766 2 . LYS 3 3 19766 2 . SER 4 4 19766 2 . GLN 5 5 19766 2 . TYR 6 6 19766 2 . ILE 7 7 19766 2 . ASP 8 8 19766 2 . ILE 9 9 19766 2 . MET 10 10 19766 2 . PRO 11 11 19766 2 . ASP 12 12 19766 2 . PHE 13 13 19766 2 . SER 14 14 19766 2 . PRO 15 15 19766 2 . SER 16 16 19766 2 . GLY 17 17 19766 2 . LEU 18 18 19766 2 . LEU 19 19 19766 2 . GLU 20 20 19766 2 . LEU 21 21 19766 2 . GLU 22 22 19766 2 . SER 23 23 19766 2 stop_ save_ save_Bud13p _Entity.Sf_category entity _Entity.Sf_framecode Bud13p _Entity.Entry_ID 19766 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name Bud13p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSYDKPAPENRFAIMPGSRW DGVHRSNGFEEKW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 1-33 in the deposited structure corresponds to residues 213-245 and the first two residues (G213, S214) are cloning artifacts' _Entity.Polymer_author_seq_details 'as above' _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 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'core Bud13p, cBud13p' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3828.226 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 UNP P46947 . "Bud site selection protein 13" . . . . . . . . . . . . . . 19766 3 2 no PDB 2MKC . "Cooperative Structure Of The Heterotrimeric Pre-mrna Retention And Splicing Complex" . . . . . 100.00 33 100.00 100.00 3.32e-15 . . . . 19766 3 3 no DBJ GAA23224 . "K7_Bud13p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 93.94 266 100.00 100.00 2.46e-14 . . . . 19766 3 4 no EMBL CAA59179 . "G1642 [Saccharomyces cerevisiae]" . . . . . 93.94 266 100.00 100.00 2.46e-14 . . . . 19766 3 5 no EMBL CAA96886 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 93.94 266 100.00 100.00 2.46e-14 . . . . 19766 3 6 no EMBL CAY79593 . "Bud13p [Saccharomyces cerevisiae EC1118]" . . . . . 93.94 266 100.00 100.00 2.39e-14 . . . . 19766 3 7 no GB AAS56830 . "YGL174W [Saccharomyces cerevisiae]" . . . . . 93.94 266 100.00 100.00 2.46e-14 . . . . 19766 3 8 no GB AHY79214 . "Bud13p [Saccharomyces cerevisiae YJM993]" . . . . . 93.94 266 100.00 100.00 2.39e-14 . . . . 19766 3 9 no GB EDN61950 . "bud site selection protein [Saccharomyces cerevisiae YJM789]" . . . . . 93.94 266 100.00 100.00 2.39e-14 . . . . 19766 3 10 no GB EDV10384 . "hypothetical protein SCRG_01165 [Saccharomyces cerevisiae RM11-1a]" . . . . . 93.94 266 100.00 100.00 2.39e-14 . . . . 19766 3 11 no GB EDZ72293 . "YGL174Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 93.94 266 100.00 100.00 2.46e-14 . . . . 19766 3 12 no REF NP_011341 . "Bud13p [Saccharomyces cerevisiae S288c]" . . . . . 93.94 266 100.00 100.00 2.46e-14 . . . . 19766 3 13 no SP P46947 . "RecName: Full=Pre-mRNA-splicing factor CWC26; AltName: Full=Bud site selection protein 13; AltName: Full=Complexed with CEF1 pr" . . . . . 93.94 266 100.00 100.00 2.46e-14 . . . . 19766 3 14 no TPG DAA07939 . "TPA: Bud13p [Saccharomyces cerevisiae S288c]" . . . . . 93.94 266 100.00 100.00 2.46e-14 . . . . 19766 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 300 GLY . 19766 3 2 301 SER . 19766 3 3 302 TYR . 19766 3 4 303 ASP . 19766 3 5 304 LYS . 19766 3 6 305 PRO . 19766 3 7 306 ALA . 19766 3 8 307 PRO . 19766 3 9 308 GLU . 19766 3 10 309 ASN . 19766 3 11 310 ARG . 19766 3 12 311 PHE . 19766 3 13 312 ALA . 19766 3 14 313 ILE . 19766 3 15 314 MET . 19766 3 16 315 PRO . 19766 3 17 316 GLY . 19766 3 18 317 SER . 19766 3 19 318 ARG . 19766 3 20 319 TRP . 19766 3 21 320 ASP . 19766 3 22 321 GLY . 19766 3 23 322 VAL . 19766 3 24 323 HIS . 19766 3 25 324 ARG . 19766 3 26 325 SER . 19766 3 27 326 ASN . 19766 3 28 327 GLY . 19766 3 29 328 PHE . 19766 3 30 329 GLU . 19766 3 31 330 GLU . 19766 3 32 331 LYS . 19766 3 33 332 TRP . 19766 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19766 3 . SER 2 2 19766 3 . TYR 3 3 19766 3 . ASP 4 4 19766 3 . LYS 5 5 19766 3 . PRO 6 6 19766 3 . ALA 7 7 19766 3 . PRO 8 8 19766 3 . GLU 9 9 19766 3 . ASN 10 10 19766 3 . ARG 11 11 19766 3 . PHE 12 12 19766 3 . ALA 13 13 19766 3 . ILE 14 14 19766 3 . MET 15 15 19766 3 . PRO 16 16 19766 3 . GLY 17 17 19766 3 . SER 18 18 19766 3 . ARG 19 19 19766 3 . TRP 20 20 19766 3 . ASP 21 21 19766 3 . GLY 22 22 19766 3 . VAL 23 23 19766 3 . HIS 24 24 19766 3 . ARG 25 25 19766 3 . SER 26 26 19766 3 . ASN 27 27 19766 3 . GLY 28 28 19766 3 . PHE 29 29 19766 3 . GLU 30 30 19766 3 . GLU 31 31 19766 3 . LYS 32 32 19766 3 . TRP 33 33 19766 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19766 _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 $Snu17p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . . . . . . IST3 . . . . 19766 1 2 3 $Bud13p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . . . . . . BUD13 . . . . 19766 1 3 2 $Pml1p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . . . . . . PML1 . . . . 19766 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 19766 _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 $Snu17p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pETM-11 . . . . . . 19766 1 2 3 $Bud13p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'modified pET-28b with TEV cleavage site' . . . . . . 19766 1 3 2 $Pml1p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'modified pET-28b with TEV cleavage site' . . . . . . 19766 1 4 1 $Snu17p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pETM-11 . . . . . . 19766 1 5 2 $Pml1p . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Please note that the synthetic Pml1p does not have GS cloning artifact at the N-term. Instead it has acetyl group at the N-term and amide at the C-term' . . 19766 1 6 3 $Bud13p . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Please note that the synthetic Bud13p does not have GS cloning artifact at the N-term. Instead it has acetyl group at the N-term and amide at the C-term' . . 19766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Snu17p_13C15N _Sample.Sf_category sample _Sample.Sf_framecode Snu17p_13C15N _Sample.Entry_ID 19766 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '160-180 uL, 3 mm tube' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19766 1 2 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 19766 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19766 1 4 Snu17p '[U-13C; U-15N]' . . 1 $Snu17p . . . 0.9 1.3 mM . . . . 19766 1 5 Bud13p 'natural abundance' . . 3 $Bud13p . . . 1.1 1.5 mM . . . . 19766 1 6 Pml1p 'natural abundance' . . 2 $Pml1p . . . 1.4 19 mM . . . . 19766 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19766 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19766 1 stop_ save_ save_Pml1p_13C15N _Sample.Sf_category sample _Sample.Sf_framecode Pml1p_13C15N _Sample.Entry_ID 19766 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '160-180 uL, 3 mm tube' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19766 2 2 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 19766 2 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19766 2 4 Snu17p 'natural abundance' . . 1 $Snu17p . . . 1.0 1.3 mM . . . . 19766 2 5 Bud13p 'natural abundance' . . 3 $Bud13p . . . 1.2 1.5 mM . . . . 19766 2 6 Pml1p '[U-13C; U-15N]' . . 2 $Pml1p . . . 0.8 1.0 mM . . . . 19766 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19766 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19766 2 stop_ save_ save_Bud13p_13C15N _Sample.Sf_category sample _Sample.Sf_framecode Bud13p_13C15N _Sample.Entry_ID 19766 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '160-180 uL, 3 mm tube' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19766 3 2 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 19766 3 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19766 3 4 Snu17p 'natural abundance' . . 1 $Snu17p . . . 1.0 1.3 mM . . . . 19766 3 5 Bud13p '[U-10% 13C; U-99% 15N]' . . 3 $Bud13p . . . 0.8 1.0 mM . . . . 19766 3 6 Pml1p 'natural abundance' . . 2 $Pml1p . . . 1.5 1.9 mM . . . . 19766 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19766 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19766 3 stop_ save_ save_Snu17p_2H13C15N _Sample.Sf_category sample _Sample.Sf_framecode Snu17p_2H13C15N _Sample.Entry_ID 19766 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '160-180 uL, 3 mm tube' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19766 4 2 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 19766 4 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19766 4 4 Snu17p '[U-13C; U-15N; U-2H]' . . 1 $Snu17p . . . 0.9 1.3 mM . . . . 19766 4 5 Bud13p 'natural abundance' . . 3 $Bud13p . . . 1.1 1.5 mM . . . . 19766 4 6 Pml1p 'natural abundance' . . 2 $Pml1p . . . 1.4 1.9 mM . . . . 19766 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19766 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19766 4 stop_ save_ save_Bud13p_13C15N_Snu17p_2H _Sample.Sf_category sample _Sample.Sf_framecode Bud13p_13C15N_Snu17p_2H _Sample.Entry_ID 19766 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '160-180 uL, 3 mm tube' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19766 5 2 NaCl 'natural abundance' . . . . . . 250 . . mM . . . . 19766 5 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19766 5 4 Snu17p '[U-13C; U-15N; U-2H]' . . 1 $Snu17p . . . 1.0 1.3 mM . . . . 19766 5 5 Bud13p '[U-10% 13C; U-99% 15N]' . . 3 $Bud13p . . . 0.8 1.0 mM . . . . 19766 5 6 Pml1p 'natural abundance' . . 2 $Pml1p . . . 1.5 1.9 mM . . . . 19766 5 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19766 5 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19766 5 stop_ save_ ####################### # Sample conditions # ####################### save_CONDITIONS _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CONDITIONS _Sample_condition_list.Entry_ID 19766 _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 pH 6.8 . pH 19766 1 pressure 1 . atm 19766 1 temperature 308 . K 19766 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19766 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19766 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19766 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19766 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details RECOORD loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19766 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19766 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19766 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19766 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19766 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19766 _Software.ID 4 _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' . . 19766 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19766 4 stop_ save_ save_Analysis_CCPN _Software.Sf_category software _Software.Sf_framecode Analysis_CCPN _Software.Entry_ID 19766 _Software.ID 5 _Software.Name Analysis_CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19766 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19766 5 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 19766 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'HCN cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19766 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'HCN cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19766 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'HCN cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19766 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'HCN cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 19766 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details 'RT probe' _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 19766 _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 . 900 'HCN cryoprobe' . . 19766 1 2 spectrometer_2 Bruker Avance . 800 'HCN cryoprobe' . . 19766 1 3 spectrometer_3 Bruker Avance . 700 'HCN cryoprobe' . . 19766 1 4 spectrometer_4 Bruker Avance . 600 'HCN cryoprobe' . . 19766 1 5 spectrometer_5 Bruker Avance . 800 'RT probe' . . 19766 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 19766 _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 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19766 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19766 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19766 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 13 '3D HNCO' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 14 '3D HNCA' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 15 '3D HNCA' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 16 '3D HNCA' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 17 '3D HNCACB' no . . . . . . . . . . 4 $Snu17p_2H13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 18 '3D HN(CO)CA' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 19 '3D HN(CO)CA' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 20 '3D HN(CO)CA' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 21 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 22 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 23 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 24 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 25 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 26 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 27 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $Bud13p_13C15N_Snu17p_2H isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 28 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19766 1 29 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 30 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 31 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 5 $Bud13p_13C15N_Snu17p_2H isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 32 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19766 1 33 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19766 1 34 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19766 1 35 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $Bud13p_13C15N_Snu17p_2H isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 36 '3D 1H-13C NOESY filtered/edited' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 37 '3D 1H-13C NOESY filtered/edited' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $CONDITIONS . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19766 1 38 HBCBCGCDHD no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19766 1 39 '3D CCH-TOCSY' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $CONDITIONS . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 19766 1 40 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 41 '3D 1H-15N NOESY ARG-centered' no . . . . . . . . . . 3 $Bud13p_13C15N isotropic . . 1 $CONDITIONS . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19766 1 stop_ 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 19766 _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 . . . . . . . . . 19766 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19766 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19766 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19766 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 19766 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CONDITIONS _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 13 '3D HNCO' . . . 19766 1 14 '3D HNCA' . . . 19766 1 15 '3D HNCA' . . . 19766 1 16 '3D HNCA' . . . 19766 1 17 '3D HNCACB' . . . 19766 1 18 '3D HN(CO)CA' . . . 19766 1 19 '3D HN(CO)CA' . . . 19766 1 20 '3D HN(CO)CA' . . . 19766 1 21 '3D HCCH-TOCSY' . . . 19766 1 22 '3D HCCH-TOCSY' . . . 19766 1 23 '3D HCCH-TOCSY' . . . 19766 1 32 '3D 1H-13C NOESY aromatic' . . . 19766 1 33 '3D 1H-13C NOESY aromatic' . . . 19766 1 34 '3D 1H-13C NOESY aromatic' . . . 19766 1 35 '3D HCCH-TOCSY' . . . 19766 1 38 HBCBCGCDHD . . . 19766 1 39 '3D CCH-TOCSY' . . . 19766 1 40 '3D CBCA(CO)NH' . . . 19766 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $Analysis_CCPN . . 19766 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 3.753 0.020 . 2 . . . A 1 GLY HA2 . 19766 1 2 . 1 1 1 1 GLY HA3 H 1 3.753 0.020 . 2 . . . A 1 GLY HA3 . 19766 1 3 . 1 1 1 1 GLY CA C 13 44.033 0.300 . 1 . . . A 1 GLY CA . 19766 1 4 . 1 1 2 2 ALA HA H 1 4.340 0.020 . 1 . . . A 2 ALA HA . 19766 1 5 . 1 1 2 2 ALA HB1 H 1 1.380 0.300 . 1 . . . A 2 ALA HB1 . 19766 1 6 . 1 1 2 2 ALA HB2 H 1 1.380 0.300 . 1 . . . A 2 ALA HB2 . 19766 1 7 . 1 1 2 2 ALA HB3 H 1 1.380 0.300 . 1 . . . A 2 ALA HB3 . 19766 1 8 . 1 1 2 2 ALA C C 13 177.830 0.000 . 1 . . . A 2 ALA C . 19766 1 9 . 1 1 2 2 ALA CA C 13 52.693 0.300 . 1 . . . A 2 ALA CA . 19766 1 10 . 1 1 2 2 ALA CB C 13 19.359 0.300 . 1 . . . A 2 ALA CB . 19766 1 11 . 1 1 3 3 MET H H 1 8.451 0.020 . 1 . . . A 3 MET H . 19766 1 12 . 1 1 3 3 MET HA H 1 4.482 0.001 . 1 . . . A 3 MET HA . 19766 1 13 . 1 1 3 3 MET HB2 H 1 2.088 0.020 . 2 . . . A 3 MET HB2 . 19766 1 14 . 1 1 3 3 MET HB3 H 1 2.009 0.020 . 2 . . . A 3 MET HB3 . 19766 1 15 . 1 1 3 3 MET HG2 H 1 2.582 0.001 . 2 . . . A 3 MET HG2 . 19766 1 16 . 1 1 3 3 MET HG3 H 1 2.511 0.001 . 2 . . . A 3 MET HG3 . 19766 1 17 . 1 1 3 3 MET HE1 H 1 2.048 0.005 . 1 . . . A 3 MET HE1 . 19766 1 18 . 1 1 3 3 MET HE2 H 1 2.048 0.005 . 1 . . . A 3 MET HE2 . 19766 1 19 . 1 1 3 3 MET HE3 H 1 2.048 0.005 . 1 . . . A 3 MET HE3 . 19766 1 20 . 1 1 3 3 MET C C 13 176.714 0.000 . 1 . . . A 3 MET C . 19766 1 21 . 1 1 3 3 MET CA C 13 55.590 0.300 . 1 . . . A 3 MET CA . 19766 1 22 . 1 1 3 3 MET CB C 13 32.922 0.300 . 1 . . . A 3 MET CB . 19766 1 23 . 1 1 3 3 MET CG C 13 32.033 0.035 . 1 . . . A 3 MET CG . 19766 1 24 . 1 1 3 3 MET CE C 13 16.962 0.012 . 1 . . . A 3 MET CE . 19766 1 25 . 1 1 3 3 MET N N 15 119.580 0.300 . 1 . . . A 3 MET N . 19766 1 26 . 1 1 4 4 GLY H H 1 8.400 0.020 . 1 . . . A 4 GLY H . 19766 1 27 . 1 1 4 4 GLY HA2 H 1 4.011 0.020 . 2 . . . A 4 GLY HA2 . 19766 1 28 . 1 1 4 4 GLY HA3 H 1 3.963 0.020 . 2 . . . A 4 GLY HA3 . 19766 1 29 . 1 1 4 4 GLY C C 13 174.082 0.000 . 1 . . . A 4 GLY C . 19766 1 30 . 1 1 4 4 GLY CA C 13 45.466 0.300 . 1 . . . A 4 GLY CA . 19766 1 31 . 1 1 4 4 GLY N N 15 109.951 0.300 . 1 . . . A 4 GLY N . 19766 1 32 . 1 1 5 5 ASN H H 1 8.378 0.020 . 1 . . . A 5 ASN H . 19766 1 33 . 1 1 5 5 ASN HA H 1 4.684 0.020 . 1 . . . A 5 ASN HA . 19766 1 34 . 1 1 5 5 ASN HB2 H 1 2.770 0.021 . 2 . . . A 5 ASN HB2 . 19766 1 35 . 1 1 5 5 ASN HB3 H 1 2.770 0.005 . 2 . . . A 5 ASN HB3 . 19766 1 36 . 1 1 5 5 ASN C C 13 175.489 0.000 . 1 . . . A 5 ASN C . 19766 1 37 . 1 1 5 5 ASN CA C 13 53.501 0.300 . 1 . . . A 5 ASN CA . 19766 1 38 . 1 1 5 5 ASN CB C 13 38.966 0.048 . 1 . . . A 5 ASN CB . 19766 1 39 . 1 1 5 5 ASN N N 15 118.667 0.300 . 1 . . . A 5 ASN N . 19766 1 40 . 1 1 6 6 GLU H H 1 8.620 0.020 . 1 . . . A 6 GLU H . 19766 1 41 . 1 1 6 6 GLU HA H 1 4.166 0.001 . 1 . . . A 6 GLU HA . 19766 1 42 . 1 1 6 6 GLU HB2 H 1 1.825 0.001 . 2 . . . A 6 GLU HB2 . 19766 1 43 . 1 1 6 6 GLU HB3 H 1 1.925 0.008 . 2 . . . A 6 GLU HB3 . 19766 1 44 . 1 1 6 6 GLU HG2 H 1 2.138 0.020 . 2 . . . A 6 GLU HG2 . 19766 1 45 . 1 1 6 6 GLU HG3 H 1 2.082 0.020 . 2 . . . A 6 GLU HG3 . 19766 1 46 . 1 1 6 6 GLU C C 13 176.336 0.000 . 1 . . . A 6 GLU C . 19766 1 47 . 1 1 6 6 GLU CA C 13 57.269 0.024 . 1 . . . A 6 GLU CA . 19766 1 48 . 1 1 6 6 GLU CB C 13 29.736 0.050 . 1 . . . A 6 GLU CB . 19766 1 49 . 1 1 6 6 GLU CG C 13 36.213 0.025 . 1 . . . A 6 GLU CG . 19766 1 50 . 1 1 6 6 GLU N N 15 120.908 0.300 . 1 . . . A 6 GLU N . 19766 1 51 . 1 1 7 7 TYR H H 1 8.045 0.020 . 1 . . . A 7 TYR H . 19766 1 52 . 1 1 7 7 TYR HA H 1 4.500 0.003 . 1 . . . A 7 TYR HA . 19766 1 53 . 1 1 7 7 TYR HD1 H 1 7.052 0.003 . 3 . . . A 7 TYR HD1 . 19766 1 54 . 1 1 7 7 TYR HD2 H 1 7.052 0.003 . 3 . . . A 7 TYR HD2 . 19766 1 55 . 1 1 7 7 TYR HE1 H 1 6.782 0.002 . 3 . . . A 7 TYR HE1 . 19766 1 56 . 1 1 7 7 TYR HE2 H 1 6.782 0.002 . 3 . . . A 7 TYR HE2 . 19766 1 57 . 1 1 7 7 TYR C C 13 175.808 0.000 . 1 . . . A 7 TYR C . 19766 1 58 . 1 1 7 7 TYR CA C 13 58.151 0.026 . 1 . . . A 7 TYR CA . 19766 1 59 . 1 1 7 7 TYR CB C 13 38.194 0.005 . 1 . . . A 7 TYR CB . 19766 1 60 . 1 1 7 7 TYR CD1 C 13 133.207 0.059 . 3 . . . A 7 TYR CD1 . 19766 1 61 . 1 1 7 7 TYR CD2 C 13 133.207 0.059 . 3 . . . A 7 TYR CD2 . 19766 1 62 . 1 1 7 7 TYR CE1 C 13 118.406 0.084 . 3 . . . A 7 TYR CE1 . 19766 1 63 . 1 1 7 7 TYR CE2 C 13 118.406 0.084 . 3 . . . A 7 TYR CE2 . 19766 1 64 . 1 1 7 7 TYR N N 15 120.339 0.300 . 1 . . . A 7 TYR N . 19766 1 65 . 1 1 8 8 LYS H H 1 7.829 0.002 . 1 . . . A 8 LYS H . 19766 1 66 . 1 1 8 8 LYS HA H 1 4.150 0.017 . 1 . . . A 8 LYS HA . 19766 1 67 . 1 1 8 8 LYS HB2 H 1 1.710 0.003 . 2 . . . A 8 LYS HB2 . 19766 1 68 . 1 1 8 8 LYS HB3 H 1 1.653 0.005 . 2 . . . A 8 LYS HB3 . 19766 1 69 . 1 1 8 8 LYS HG2 H 1 1.229 0.003 . 2 . . . A 8 LYS HG2 . 19766 1 70 . 1 1 8 8 LYS HG3 H 1 1.276 0.002 . 2 . . . A 8 LYS HG3 . 19766 1 71 . 1 1 8 8 LYS HD2 H 1 1.544 0.001 . 2 . . . A 8 LYS HD2 . 19766 1 72 . 1 1 8 8 LYS HD3 H 1 1.544 0.001 . 2 . . . A 8 LYS HD3 . 19766 1 73 . 1 1 8 8 LYS HE2 H 1 2.879 0.003 . 2 . . . A 8 LYS HE2 . 19766 1 74 . 1 1 8 8 LYS HE3 H 1 2.879 0.003 . 2 . . . A 8 LYS HE3 . 19766 1 75 . 1 1 8 8 LYS C C 13 175.868 0.000 . 1 . . . A 8 LYS C . 19766 1 76 . 1 1 8 8 LYS CA C 13 56.562 0.010 . 1 . . . A 8 LYS CA . 19766 1 77 . 1 1 8 8 LYS CB C 13 33.158 0.035 . 1 . . . A 8 LYS CB . 19766 1 78 . 1 1 8 8 LYS CG C 13 24.607 0.014 . 1 . . . A 8 LYS CG . 19766 1 79 . 1 1 8 8 LYS CD C 13 29.070 0.012 . 1 . . . A 8 LYS CD . 19766 1 80 . 1 1 8 8 LYS CE C 13 42.075 0.020 . 1 . . . A 8 LYS CE . 19766 1 81 . 1 1 8 8 LYS N N 15 121.700 0.038 . 1 . . . A 8 LYS N . 19766 1 82 . 1 1 9 9 ASP H H 1 8.137 0.020 . 1 . . . A 9 ASP H . 19766 1 83 . 1 1 9 9 ASP HA H 1 4.638 0.020 . 1 . . . A 9 ASP HA . 19766 1 84 . 1 1 9 9 ASP HB2 H 1 2.793 0.005 . 2 . . . A 9 ASP HB2 . 19766 1 85 . 1 1 9 9 ASP HB3 H 1 2.658 0.001 . 2 . . . A 9 ASP HB3 . 19766 1 86 . 1 1 9 9 ASP C C 13 175.972 0.000 . 1 . . . A 9 ASP C . 19766 1 87 . 1 1 9 9 ASP CA C 13 54.624 0.300 . 1 . . . A 9 ASP CA . 19766 1 88 . 1 1 9 9 ASP CB C 13 41.539 0.018 . 1 . . . A 9 ASP CB . 19766 1 89 . 1 1 9 9 ASP N N 15 119.811 0.300 . 1 . . . A 9 ASP N . 19766 1 90 . 1 1 10 10 ASN H H 1 8.292 0.020 . 1 . . . A 10 ASN H . 19766 1 91 . 1 1 10 10 ASN HA H 1 4.972 0.002 . 1 . . . A 10 ASN HA . 19766 1 92 . 1 1 10 10 ASN HB2 H 1 2.925 0.005 . 2 . . . A 10 ASN HB2 . 19766 1 93 . 1 1 10 10 ASN HB3 H 1 2.925 0.005 . 2 . . . A 10 ASN HB3 . 19766 1 94 . 1 1 10 10 ASN HD21 H 1 6.926 0.001 . 2 . . . A 10 ASN HD21 . 19766 1 95 . 1 1 10 10 ASN HD22 H 1 7.411 0.005 . 2 . . . A 10 ASN HD22 . 19766 1 96 . 1 1 10 10 ASN CA C 13 52.845 0.057 . 1 . . . A 10 ASN CA . 19766 1 97 . 1 1 10 10 ASN CB C 13 38.759 0.087 . 1 . . . A 10 ASN CB . 19766 1 98 . 1 1 10 10 ASN N N 15 119.794 0.300 . 1 . . . A 10 ASN N . 19766 1 99 . 1 1 10 10 ASN ND2 N 15 111.365 0.017 . 1 . . . A 10 ASN ND2 . 19766 1 100 . 1 1 11 11 ALA HA H 1 4.603 0.020 . 1 . . . A 11 ALA HA . 19766 1 101 . 1 1 11 11 ALA HB1 H 1 1.524 0.002 . 1 . . . A 11 ALA HB1 . 19766 1 102 . 1 1 11 11 ALA HB2 H 1 1.524 0.002 . 1 . . . A 11 ALA HB2 . 19766 1 103 . 1 1 11 11 ALA HB3 H 1 1.524 0.002 . 1 . . . A 11 ALA HB3 . 19766 1 104 . 1 1 11 11 ALA CA C 13 53.249 0.300 . 1 . . . A 11 ALA CA . 19766 1 105 . 1 1 11 11 ALA CB C 13 19.188 0.030 . 1 . . . A 11 ALA CB . 19766 1 106 . 1 1 12 12 TYR H H 1 8.057 0.005 . 1 . . . A 12 TYR H . 19766 1 107 . 1 1 12 12 TYR HA H 1 5.144 0.007 . 1 . . . A 12 TYR HA . 19766 1 108 . 1 1 12 12 TYR HB2 H 1 2.775 0.006 . 2 . . . A 12 TYR HB2 . 19766 1 109 . 1 1 12 12 TYR HB3 H 1 2.775 0.006 . 2 . . . A 12 TYR HB3 . 19766 1 110 . 1 1 12 12 TYR HD1 H 1 6.950 0.004 . 3 . . . A 12 TYR HD1 . 19766 1 111 . 1 1 12 12 TYR HD2 H 1 6.950 0.004 . 3 . . . A 12 TYR HD2 . 19766 1 112 . 1 1 12 12 TYR HE1 H 1 6.435 0.004 . 3 . . . A 12 TYR HE1 . 19766 1 113 . 1 1 12 12 TYR HE2 H 1 6.435 0.004 . 3 . . . A 12 TYR HE2 . 19766 1 114 . 1 1 12 12 TYR C C 13 177.773 0.000 . 1 . . . A 12 TYR C . 19766 1 115 . 1 1 12 12 TYR CA C 13 57.183 0.063 . 1 . . . A 12 TYR CA . 19766 1 116 . 1 1 12 12 TYR CB C 13 42.582 0.056 . 1 . . . A 12 TYR CB . 19766 1 117 . 1 1 12 12 TYR CD1 C 13 133.293 0.078 . 3 . . . A 12 TYR CD1 . 19766 1 118 . 1 1 12 12 TYR CD2 C 13 133.293 0.078 . 3 . . . A 12 TYR CD2 . 19766 1 119 . 1 1 12 12 TYR CE1 C 13 117.904 0.080 . 3 . . . A 12 TYR CE1 . 19766 1 120 . 1 1 12 12 TYR CE2 C 13 117.904 0.080 . 3 . . . A 12 TYR CE2 . 19766 1 121 . 1 1 12 12 TYR N N 15 118.889 0.033 . 1 . . . A 12 TYR N . 19766 1 122 . 1 1 13 13 ILE H H 1 9.310 0.005 . 1 . . . A 13 ILE H . 19766 1 123 . 1 1 13 13 ILE HA H 1 5.154 0.003 . 1 . . . A 13 ILE HA . 19766 1 124 . 1 1 13 13 ILE HB H 1 1.672 0.003 . 1 . . . A 13 ILE HB . 19766 1 125 . 1 1 13 13 ILE HG12 H 1 0.992 0.020 . 2 . . . A 13 ILE HG12 . 19766 1 126 . 1 1 13 13 ILE HG13 H 1 1.396 0.006 . 2 . . . A 13 ILE HG13 . 19766 1 127 . 1 1 13 13 ILE HG21 H 1 0.782 0.002 . 1 . . . A 13 ILE HG21 . 19766 1 128 . 1 1 13 13 ILE HG22 H 1 0.782 0.002 . 1 . . . A 13 ILE HG22 . 19766 1 129 . 1 1 13 13 ILE HG23 H 1 0.782 0.002 . 1 . . . A 13 ILE HG23 . 19766 1 130 . 1 1 13 13 ILE HD11 H 1 0.732 0.003 . 1 . . . A 13 ILE HD11 . 19766 1 131 . 1 1 13 13 ILE HD12 H 1 0.732 0.003 . 1 . . . A 13 ILE HD12 . 19766 1 132 . 1 1 13 13 ILE HD13 H 1 0.732 0.003 . 1 . . . A 13 ILE HD13 . 19766 1 133 . 1 1 13 13 ILE C C 13 174.312 0.000 . 1 . . . A 13 ILE C . 19766 1 134 . 1 1 13 13 ILE CA C 13 60.036 0.025 . 1 . . . A 13 ILE CA . 19766 1 135 . 1 1 13 13 ILE CB C 13 39.896 0.065 . 1 . . . A 13 ILE CB . 19766 1 136 . 1 1 13 13 ILE CG1 C 13 25.741 0.030 . 1 . . . A 13 ILE CG1 . 19766 1 137 . 1 1 13 13 ILE CG2 C 13 18.843 0.030 . 1 . . . A 13 ILE CG2 . 19766 1 138 . 1 1 13 13 ILE CD1 C 13 14.937 0.053 . 1 . . . A 13 ILE CD1 . 19766 1 139 . 1 1 13 13 ILE N N 15 112.765 0.037 . 1 . . . A 13 ILE N . 19766 1 140 . 1 1 14 14 TYR H H 1 9.252 0.004 . 1 . . . A 14 TYR H . 19766 1 141 . 1 1 14 14 TYR HA H 1 4.707 0.020 . 1 . . . A 14 TYR HA . 19766 1 142 . 1 1 14 14 TYR HB2 H 1 2.656 0.003 . 2 . . . A 14 TYR HB2 . 19766 1 143 . 1 1 14 14 TYR HB3 H 1 2.782 0.020 . 2 . . . A 14 TYR HB3 . 19766 1 144 . 1 1 14 14 TYR HD1 H 1 6.736 0.004 . 3 . . . A 14 TYR HD1 . 19766 1 145 . 1 1 14 14 TYR HD2 H 1 6.736 0.004 . 3 . . . A 14 TYR HD2 . 19766 1 146 . 1 1 14 14 TYR HE1 H 1 6.375 0.004 . 3 . . . A 14 TYR HE1 . 19766 1 147 . 1 1 14 14 TYR HE2 H 1 6.375 0.004 . 3 . . . A 14 TYR HE2 . 19766 1 148 . 1 1 14 14 TYR C C 13 173.058 0.000 . 1 . . . A 14 TYR C . 19766 1 149 . 1 1 14 14 TYR CA C 13 56.212 0.300 . 1 . . . A 14 TYR CA . 19766 1 150 . 1 1 14 14 TYR CB C 13 40.219 0.056 . 1 . . . A 14 TYR CB . 19766 1 151 . 1 1 14 14 TYR CD1 C 13 133.305 0.080 . 3 . . . A 14 TYR CD1 . 19766 1 152 . 1 1 14 14 TYR CD2 C 13 133.305 0.080 . 3 . . . A 14 TYR CD2 . 19766 1 153 . 1 1 14 14 TYR CE1 C 13 117.669 0.075 . 3 . . . A 14 TYR CE1 . 19766 1 154 . 1 1 14 14 TYR CE2 C 13 117.669 0.075 . 3 . . . A 14 TYR CE2 . 19766 1 155 . 1 1 14 14 TYR N N 15 124.417 0.042 . 1 . . . A 14 TYR N . 19766 1 156 . 1 1 15 15 ILE H H 1 8.558 0.009 . 1 . . . A 15 ILE H . 19766 1 157 . 1 1 15 15 ILE HA H 1 4.265 0.003 . 1 . . . A 15 ILE HA . 19766 1 158 . 1 1 15 15 ILE HB H 1 1.232 0.004 . 1 . . . A 15 ILE HB . 19766 1 159 . 1 1 15 15 ILE HG12 H 1 1.073 0.020 . 2 . . . A 15 ILE HG12 . 19766 1 160 . 1 1 15 15 ILE HG13 H 1 0.388 0.004 . 2 . . . A 15 ILE HG13 . 19766 1 161 . 1 1 15 15 ILE HG21 H 1 0.735 0.002 . 1 . . . A 15 ILE HG21 . 19766 1 162 . 1 1 15 15 ILE HG22 H 1 0.735 0.002 . 1 . . . A 15 ILE HG22 . 19766 1 163 . 1 1 15 15 ILE HG23 H 1 0.735 0.002 . 1 . . . A 15 ILE HG23 . 19766 1 164 . 1 1 15 15 ILE HD11 H 1 -0.291 0.003 . 1 . . . A 15 ILE HD11 . 19766 1 165 . 1 1 15 15 ILE HD12 H 1 -0.291 0.003 . 1 . . . A 15 ILE HD12 . 19766 1 166 . 1 1 15 15 ILE HD13 H 1 -0.291 0.003 . 1 . . . A 15 ILE HD13 . 19766 1 167 . 1 1 15 15 ILE C C 13 173.705 0.000 . 1 . . . A 15 ILE C . 19766 1 168 . 1 1 15 15 ILE CA C 13 59.486 0.043 . 1 . . . A 15 ILE CA . 19766 1 169 . 1 1 15 15 ILE CB C 13 40.002 0.066 . 1 . . . A 15 ILE CB . 19766 1 170 . 1 1 15 15 ILE CG1 C 13 26.086 0.023 . 1 . . . A 15 ILE CG1 . 19766 1 171 . 1 1 15 15 ILE CG2 C 13 19.598 0.018 . 1 . . . A 15 ILE CG2 . 19766 1 172 . 1 1 15 15 ILE CD1 C 13 14.672 0.059 . 1 . . . A 15 ILE CD1 . 19766 1 173 . 1 1 15 15 ILE N N 15 127.660 0.041 . 1 . . . A 15 ILE N . 19766 1 174 . 1 1 16 16 GLY H H 1 9.516 0.005 . 1 . . . A 16 GLY H . 19766 1 175 . 1 1 16 16 GLY HA2 H 1 4.642 0.020 . 2 . . . A 16 GLY HA2 . 19766 1 176 . 1 1 16 16 GLY HA3 H 1 3.610 0.006 . 2 . . . A 16 GLY HA3 . 19766 1 177 . 1 1 16 16 GLY C C 13 173.110 0.000 . 1 . . . A 16 GLY C . 19766 1 178 . 1 1 16 16 GLY CA C 13 43.249 0.038 . 1 . . . A 16 GLY CA . 19766 1 179 . 1 1 16 16 GLY N N 15 112.792 0.050 . 1 . . . A 16 GLY N . 19766 1 180 . 1 1 17 17 ASN H H 1 8.511 0.004 . 1 . . . A 17 ASN H . 19766 1 181 . 1 1 17 17 ASN HA H 1 4.396 0.001 . 1 . . . A 17 ASN HA . 19766 1 182 . 1 1 17 17 ASN HB2 H 1 2.441 0.004 . 2 . . . A 17 ASN HB2 . 19766 1 183 . 1 1 17 17 ASN HB3 H 1 3.871 0.005 . 2 . . . A 17 ASN HB3 . 19766 1 184 . 1 1 17 17 ASN HD21 H 1 6.914 0.004 . 2 . . . A 17 ASN HD21 . 19766 1 185 . 1 1 17 17 ASN HD22 H 1 8.412 0.003 . 2 . . . A 17 ASN HD22 . 19766 1 186 . 1 1 17 17 ASN C C 13 174.854 0.000 . 1 . . . A 17 ASN C . 19766 1 187 . 1 1 17 17 ASN CA C 13 53.236 0.044 . 1 . . . A 17 ASN CA . 19766 1 188 . 1 1 17 17 ASN CB C 13 37.933 0.044 . 1 . . . A 17 ASN CB . 19766 1 189 . 1 1 17 17 ASN N N 15 115.139 0.040 . 1 . . . A 17 ASN N . 19766 1 190 . 1 1 17 17 ASN ND2 N 15 112.612 0.051 . 1 . . . A 17 ASN ND2 . 19766 1 191 . 1 1 18 18 LEU H H 1 7.839 0.002 . 1 . . . A 18 LEU H . 19766 1 192 . 1 1 18 18 LEU HA H 1 4.036 0.004 . 1 . . . A 18 LEU HA . 19766 1 193 . 1 1 18 18 LEU HB2 H 1 1.035 0.004 . 2 . . . A 18 LEU HB2 . 19766 1 194 . 1 1 18 18 LEU HB3 H 1 1.166 0.001 . 2 . . . A 18 LEU HB3 . 19766 1 195 . 1 1 18 18 LEU HG H 1 1.237 0.004 . 1 . . . A 18 LEU HG . 19766 1 196 . 1 1 18 18 LEU HD11 H 1 0.421 0.003 . 2 . . . A 18 LEU HD11 . 19766 1 197 . 1 1 18 18 LEU HD12 H 1 0.421 0.003 . 2 . . . A 18 LEU HD12 . 19766 1 198 . 1 1 18 18 LEU HD13 H 1 0.421 0.003 . 2 . . . A 18 LEU HD13 . 19766 1 199 . 1 1 18 18 LEU HD21 H 1 0.658 0.002 . 2 . . . A 18 LEU HD21 . 19766 1 200 . 1 1 18 18 LEU HD22 H 1 0.658 0.002 . 2 . . . A 18 LEU HD22 . 19766 1 201 . 1 1 18 18 LEU HD23 H 1 0.658 0.002 . 2 . . . A 18 LEU HD23 . 19766 1 202 . 1 1 18 18 LEU C C 13 178.161 0.000 . 1 . . . A 18 LEU C . 19766 1 203 . 1 1 18 18 LEU CA C 13 53.884 0.035 . 1 . . . A 18 LEU CA . 19766 1 204 . 1 1 18 18 LEU CB C 13 42.562 0.023 . 1 . . . A 18 LEU CB . 19766 1 205 . 1 1 18 18 LEU CG C 13 26.286 0.040 . 1 . . . A 18 LEU CG . 19766 1 206 . 1 1 18 18 LEU CD1 C 13 26.983 0.047 . 2 . . . A 18 LEU CD1 . 19766 1 207 . 1 1 18 18 LEU CD2 C 13 24.206 0.027 . 2 . . . A 18 LEU CD2 . 19766 1 208 . 1 1 18 18 LEU N N 15 114.660 0.022 . 1 . . . A 18 LEU N . 19766 1 209 . 1 1 19 19 ASN H H 1 8.779 0.008 . 1 . . . A 19 ASN H . 19766 1 210 . 1 1 19 19 ASN HA H 1 4.363 0.005 . 1 . . . A 19 ASN HA . 19766 1 211 . 1 1 19 19 ASN HB2 H 1 2.434 0.005 . 2 . . . A 19 ASN HB2 . 19766 1 212 . 1 1 19 19 ASN HB3 H 1 2.644 0.005 . 2 . . . A 19 ASN HB3 . 19766 1 213 . 1 1 19 19 ASN HD21 H 1 8.209 0.006 . 1 . . . A 19 ASN HD21 . 19766 1 214 . 1 1 19 19 ASN HD22 H 1 7.281 0.008 . 1 . . . A 19 ASN HD22 . 19766 1 215 . 1 1 19 19 ASN C C 13 178.037 0.000 . 1 . . . A 19 ASN C . 19766 1 216 . 1 1 19 19 ASN CA C 13 54.604 0.059 . 1 . . . A 19 ASN CA . 19766 1 217 . 1 1 19 19 ASN CB C 13 38.812 0.049 . 1 . . . A 19 ASN CB . 19766 1 218 . 1 1 19 19 ASN N N 15 122.707 0.039 . 1 . . . A 19 ASN N . 19766 1 219 . 1 1 19 19 ASN ND2 N 15 114.922 0.071 . 1 . . . A 19 ASN ND2 . 19766 1 220 . 1 1 20 20 ARG H H 1 8.954 0.020 . 1 . . . A 20 ARG H . 19766 1 221 . 1 1 20 20 ARG HA H 1 3.853 0.020 . 1 . . . A 20 ARG HA . 19766 1 222 . 1 1 20 20 ARG HB2 H 1 1.833 0.005 . 2 . . . A 20 ARG HB2 . 19766 1 223 . 1 1 20 20 ARG HB3 H 1 2.070 0.003 . 2 . . . A 20 ARG HB3 . 19766 1 224 . 1 1 20 20 ARG HG2 H 1 1.799 0.003 . 2 . . . A 20 ARG HG2 . 19766 1 225 . 1 1 20 20 ARG HG3 H 1 1.486 0.004 . 2 . . . A 20 ARG HG3 . 19766 1 226 . 1 1 20 20 ARG HD2 H 1 3.199 0.003 . 2 . . . A 20 ARG HD2 . 19766 1 227 . 1 1 20 20 ARG HD3 H 1 3.168 0.002 . 2 . . . A 20 ARG HD3 . 19766 1 228 . 1 1 20 20 ARG C C 13 175.612 0.000 . 1 . . . A 20 ARG C . 19766 1 229 . 1 1 20 20 ARG CA C 13 58.774 0.300 . 1 . . . A 20 ARG CA . 19766 1 230 . 1 1 20 20 ARG CB C 13 29.684 0.027 . 1 . . . A 20 ARG CB . 19766 1 231 . 1 1 20 20 ARG CG C 13 28.226 0.023 . 1 . . . A 20 ARG CG . 19766 1 232 . 1 1 20 20 ARG CD C 13 42.964 0.011 . 1 . . . A 20 ARG CD . 19766 1 233 . 1 1 20 20 ARG N N 15 128.724 0.300 . 1 . . . A 20 ARG N . 19766 1 234 . 1 1 21 21 GLU H H 1 9.092 0.005 . 1 . . . A 21 GLU H . 19766 1 235 . 1 1 21 21 GLU HA H 1 4.273 0.004 . 1 . . . A 21 GLU HA . 19766 1 236 . 1 1 21 21 GLU HB2 H 1 1.928 0.009 . 2 . . . A 21 GLU HB2 . 19766 1 237 . 1 1 21 21 GLU HB3 H 1 2.126 0.004 . 2 . . . A 21 GLU HB3 . 19766 1 238 . 1 1 21 21 GLU HG2 H 1 2.339 0.003 . 2 . . . A 21 GLU HG2 . 19766 1 239 . 1 1 21 21 GLU HG3 H 1 2.235 0.003 . 2 . . . A 21 GLU HG3 . 19766 1 240 . 1 1 21 21 GLU C C 13 177.285 0.000 . 1 . . . A 21 GLU C . 19766 1 241 . 1 1 21 21 GLU CA C 13 56.782 0.029 . 1 . . . A 21 GLU CA . 19766 1 242 . 1 1 21 21 GLU CB C 13 30.498 0.033 . 1 . . . A 21 GLU CB . 19766 1 243 . 1 1 21 21 GLU CG C 13 37.259 0.068 . 1 . . . A 21 GLU CG . 19766 1 244 . 1 1 21 21 GLU N N 15 117.609 0.035 . 1 . . . A 21 GLU N . 19766 1 245 . 1 1 22 22 LEU H H 1 7.208 0.003 . 1 . . . A 22 LEU H . 19766 1 246 . 1 1 22 22 LEU HA H 1 4.556 0.020 . 1 . . . A 22 LEU HA . 19766 1 247 . 1 1 22 22 LEU HB2 H 1 1.381 0.003 . 2 . . . A 22 LEU HB2 . 19766 1 248 . 1 1 22 22 LEU HB3 H 1 1.852 0.006 . 2 . . . A 22 LEU HB3 . 19766 1 249 . 1 1 22 22 LEU HG H 1 1.733 0.005 . 1 . . . A 22 LEU HG . 19766 1 250 . 1 1 22 22 LEU HD11 H 1 0.877 0.008 . 2 . . . A 22 LEU HD11 . 19766 1 251 . 1 1 22 22 LEU HD12 H 1 0.877 0.008 . 2 . . . A 22 LEU HD12 . 19766 1 252 . 1 1 22 22 LEU HD13 H 1 0.877 0.008 . 2 . . . A 22 LEU HD13 . 19766 1 253 . 1 1 22 22 LEU HD21 H 1 0.994 0.004 . 2 . . . A 22 LEU HD21 . 19766 1 254 . 1 1 22 22 LEU HD22 H 1 0.994 0.004 . 2 . . . A 22 LEU HD22 . 19766 1 255 . 1 1 22 22 LEU HD23 H 1 0.994 0.004 . 2 . . . A 22 LEU HD23 . 19766 1 256 . 1 1 22 22 LEU C C 13 178.328 0.000 . 1 . . . A 22 LEU C . 19766 1 257 . 1 1 22 22 LEU CA C 13 55.656 0.300 . 1 . . . A 22 LEU CA . 19766 1 258 . 1 1 22 22 LEU CB C 13 42.226 0.034 . 1 . . . A 22 LEU CB . 19766 1 259 . 1 1 22 22 LEU CG C 13 27.140 0.049 . 1 . . . A 22 LEU CG . 19766 1 260 . 1 1 22 22 LEU CD1 C 13 24.023 0.044 . 2 . . . A 22 LEU CD1 . 19766 1 261 . 1 1 22 22 LEU CD2 C 13 27.749 0.051 . 2 . . . A 22 LEU CD2 . 19766 1 262 . 1 1 22 22 LEU N N 15 116.169 0.051 . 1 . . . A 22 LEU N . 19766 1 263 . 1 1 23 23 THR H H 1 8.732 0.005 . 1 . . . A 23 THR H . 19766 1 264 . 1 1 23 23 THR HA H 1 4.349 0.002 . 1 . . . A 23 THR HA . 19766 1 265 . 1 1 23 23 THR HB H 1 5.242 0.003 . 1 . . . A 23 THR HB . 19766 1 266 . 1 1 23 23 THR HG1 H 1 5.468 0.008 . 1 . . . A 23 THR HG1 . 19766 1 267 . 1 1 23 23 THR HG21 H 1 1.256 0.004 . 1 . . . A 23 THR HG21 . 19766 1 268 . 1 1 23 23 THR HG22 H 1 1.256 0.004 . 1 . . . A 23 THR HG22 . 19766 1 269 . 1 1 23 23 THR HG23 H 1 1.256 0.004 . 1 . . . A 23 THR HG23 . 19766 1 270 . 1 1 23 23 THR C C 13 175.225 0.000 . 1 . . . A 23 THR C . 19766 1 271 . 1 1 23 23 THR CA C 13 59.960 0.067 . 1 . . . A 23 THR CA . 19766 1 272 . 1 1 23 23 THR CB C 13 72.172 0.028 . 1 . . . A 23 THR CB . 19766 1 273 . 1 1 23 23 THR CG2 C 13 21.888 0.050 . 1 . . . A 23 THR CG2 . 19766 1 274 . 1 1 23 23 THR N N 15 113.733 0.032 . 1 . . . A 23 THR N . 19766 1 275 . 1 1 24 24 GLU H H 1 9.761 0.003 . 1 . . . A 24 GLU H . 19766 1 276 . 1 1 24 24 GLU HA H 1 3.657 0.005 . 1 . . . A 24 GLU HA . 19766 1 277 . 1 1 24 24 GLU HB2 H 1 1.620 0.004 . 2 . . . A 24 GLU HB2 . 19766 1 278 . 1 1 24 24 GLU HB3 H 1 1.363 0.001 . 2 . . . A 24 GLU HB3 . 19766 1 279 . 1 1 24 24 GLU HG2 H 1 2.562 0.006 . 2 . . . A 24 GLU HG2 . 19766 1 280 . 1 1 24 24 GLU HG3 H 1 2.093 0.007 . 2 . . . A 24 GLU HG3 . 19766 1 281 . 1 1 24 24 GLU C C 13 178.983 0.000 . 1 . . . A 24 GLU C . 19766 1 282 . 1 1 24 24 GLU CA C 13 63.571 0.048 . 1 . . . A 24 GLU CA . 19766 1 283 . 1 1 24 24 GLU CB C 13 27.346 0.036 . 1 . . . A 24 GLU CB . 19766 1 284 . 1 1 24 24 GLU CG C 13 38.391 0.028 . 1 . . . A 24 GLU CG . 19766 1 285 . 1 1 24 24 GLU N N 15 119.838 0.041 . 1 . . . A 24 GLU N . 19766 1 286 . 1 1 25 25 GLY H H 1 8.486 0.003 . 1 . . . A 25 GLY H . 19766 1 287 . 1 1 25 25 GLY HA2 H 1 3.886 0.006 . 2 . . . A 25 GLY HA2 . 19766 1 288 . 1 1 25 25 GLY HA3 H 1 3.723 0.003 . 2 . . . A 25 GLY HA3 . 19766 1 289 . 1 1 25 25 GLY C C 13 175.139 0.000 . 1 . . . A 25 GLY C . 19766 1 290 . 1 1 25 25 GLY CA C 13 47.605 0.024 . 1 . . . A 25 GLY CA . 19766 1 291 . 1 1 25 25 GLY N N 15 104.462 0.020 . 1 . . . A 25 GLY N . 19766 1 292 . 1 1 26 26 ASP H H 1 7.960 0.005 . 1 . . . A 26 ASP H . 19766 1 293 . 1 1 26 26 ASP HA H 1 4.570 0.020 . 1 . . . A 26 ASP HA . 19766 1 294 . 1 1 26 26 ASP HB2 H 1 2.555 0.006 . 2 . . . A 26 ASP HB2 . 19766 1 295 . 1 1 26 26 ASP HB3 H 1 3.232 0.009 . 2 . . . A 26 ASP HB3 . 19766 1 296 . 1 1 26 26 ASP C C 13 178.135 0.000 . 1 . . . A 26 ASP C . 19766 1 297 . 1 1 26 26 ASP CA C 13 57.812 0.300 . 1 . . . A 26 ASP CA . 19766 1 298 . 1 1 26 26 ASP CB C 13 41.885 0.055 . 1 . . . A 26 ASP CB . 19766 1 299 . 1 1 26 26 ASP N N 15 123.296 0.025 . 1 . . . A 26 ASP N . 19766 1 300 . 1 1 27 27 ILE H H 1 8.159 0.002 . 1 . . . A 27 ILE H . 19766 1 301 . 1 1 27 27 ILE HA H 1 3.607 0.004 . 1 . . . A 27 ILE HA . 19766 1 302 . 1 1 27 27 ILE HB H 1 1.957 0.003 . 1 . . . A 27 ILE HB . 19766 1 303 . 1 1 27 27 ILE HG12 H 1 1.719 0.002 . 2 . . . A 27 ILE HG12 . 19766 1 304 . 1 1 27 27 ILE HG13 H 1 0.896 0.008 . 2 . . . A 27 ILE HG13 . 19766 1 305 . 1 1 27 27 ILE HG21 H 1 0.574 0.001 . 1 . . . A 27 ILE HG21 . 19766 1 306 . 1 1 27 27 ILE HG22 H 1 0.574 0.001 . 1 . . . A 27 ILE HG22 . 19766 1 307 . 1 1 27 27 ILE HG23 H 1 0.574 0.001 . 1 . . . A 27 ILE HG23 . 19766 1 308 . 1 1 27 27 ILE HD11 H 1 0.611 0.001 . 1 . . . A 27 ILE HD11 . 19766 1 309 . 1 1 27 27 ILE HD12 H 1 0.611 0.001 . 1 . . . A 27 ILE HD12 . 19766 1 310 . 1 1 27 27 ILE HD13 H 1 0.611 0.001 . 1 . . . A 27 ILE HD13 . 19766 1 311 . 1 1 27 27 ILE C C 13 178.424 0.000 . 1 . . . A 27 ILE C . 19766 1 312 . 1 1 27 27 ILE CA C 13 65.741 0.056 . 1 . . . A 27 ILE CA . 19766 1 313 . 1 1 27 27 ILE CB C 13 37.712 0.048 . 1 . . . A 27 ILE CB . 19766 1 314 . 1 1 27 27 ILE CG1 C 13 29.001 0.032 . 1 . . . A 27 ILE CG1 . 19766 1 315 . 1 1 27 27 ILE CG2 C 13 17.965 0.022 . 1 . . . A 27 ILE CG2 . 19766 1 316 . 1 1 27 27 ILE CD1 C 13 14.155 0.020 . 1 . . . A 27 ILE CD1 . 19766 1 317 . 1 1 27 27 ILE N N 15 118.853 0.015 . 1 . . . A 27 ILE N . 19766 1 318 . 1 1 28 28 LEU H H 1 8.414 0.002 . 1 . . . A 28 LEU H . 19766 1 319 . 1 1 28 28 LEU HA H 1 3.904 0.011 . 1 . . . A 28 LEU HA . 19766 1 320 . 1 1 28 28 LEU HB2 H 1 2.385 0.005 . 2 . . . A 28 LEU HB2 . 19766 1 321 . 1 1 28 28 LEU HB3 H 1 1.225 0.008 . 2 . . . A 28 LEU HB3 . 19766 1 322 . 1 1 28 28 LEU HG H 1 2.033 0.010 . 1 . . . A 28 LEU HG . 19766 1 323 . 1 1 28 28 LEU HD11 H 1 0.759 0.005 . 2 . . . A 28 LEU HD11 . 19766 1 324 . 1 1 28 28 LEU HD12 H 1 0.759 0.005 . 2 . . . A 28 LEU HD12 . 19766 1 325 . 1 1 28 28 LEU HD13 H 1 0.759 0.005 . 2 . . . A 28 LEU HD13 . 19766 1 326 . 1 1 28 28 LEU HD21 H 1 0.986 0.002 . 2 . . . A 28 LEU HD21 . 19766 1 327 . 1 1 28 28 LEU HD22 H 1 0.986 0.002 . 2 . . . A 28 LEU HD22 . 19766 1 328 . 1 1 28 28 LEU HD23 H 1 0.986 0.002 . 2 . . . A 28 LEU HD23 . 19766 1 329 . 1 1 28 28 LEU C C 13 180.057 0.000 . 1 . . . A 28 LEU C . 19766 1 330 . 1 1 28 28 LEU CA C 13 58.531 0.066 . 1 . . . A 28 LEU CA . 19766 1 331 . 1 1 28 28 LEU CB C 13 41.945 0.035 . 1 . . . A 28 LEU CB . 19766 1 332 . 1 1 28 28 LEU CG C 13 26.531 0.300 . 1 . . . A 28 LEU CG . 19766 1 333 . 1 1 28 28 LEU CD1 C 13 23.193 0.074 . 2 . . . A 28 LEU CD1 . 19766 1 334 . 1 1 28 28 LEU CD2 C 13 26.216 0.037 . 2 . . . A 28 LEU CD2 . 19766 1 335 . 1 1 28 28 LEU N N 15 118.549 0.037 . 1 . . . A 28 LEU N . 19766 1 336 . 1 1 29 29 THR H H 1 8.715 0.004 . 1 . . . A 29 THR H . 19766 1 337 . 1 1 29 29 THR HA H 1 4.032 0.006 . 1 . . . A 29 THR HA . 19766 1 338 . 1 1 29 29 THR HB H 1 4.473 0.008 . 1 . . . A 29 THR HB . 19766 1 339 . 1 1 29 29 THR HG1 H 1 5.102 0.012 . 1 . . . A 29 THR HG1 . 19766 1 340 . 1 1 29 29 THR HG21 H 1 1.364 0.004 . 1 . . . A 29 THR HG21 . 19766 1 341 . 1 1 29 29 THR HG22 H 1 1.364 0.004 . 1 . . . A 29 THR HG22 . 19766 1 342 . 1 1 29 29 THR HG23 H 1 1.364 0.004 . 1 . . . A 29 THR HG23 . 19766 1 343 . 1 1 29 29 THR C C 13 175.113 0.000 . 1 . . . A 29 THR C . 19766 1 344 . 1 1 29 29 THR CA C 13 66.754 0.037 . 1 . . . A 29 THR CA . 19766 1 345 . 1 1 29 29 THR CB C 13 68.490 0.031 . 1 . . . A 29 THR CB . 19766 1 346 . 1 1 29 29 THR CG2 C 13 22.921 0.074 . 1 . . . A 29 THR CG2 . 19766 1 347 . 1 1 29 29 THR N N 15 122.156 0.050 . 1 . . . A 29 THR N . 19766 1 348 . 1 1 30 30 VAL H H 1 7.713 0.010 . 1 . . . A 30 VAL H . 19766 1 349 . 1 1 30 30 VAL HA H 1 3.831 0.007 . 1 . . . A 30 VAL HA . 19766 1 350 . 1 1 30 30 VAL HB H 1 2.151 0.005 . 1 . . . A 30 VAL HB . 19766 1 351 . 1 1 30 30 VAL HG11 H 1 1.111 0.003 . 2 . . . A 30 VAL HG11 . 19766 1 352 . 1 1 30 30 VAL HG12 H 1 1.111 0.003 . 2 . . . A 30 VAL HG12 . 19766 1 353 . 1 1 30 30 VAL HG13 H 1 1.111 0.003 . 2 . . . A 30 VAL HG13 . 19766 1 354 . 1 1 30 30 VAL HG21 H 1 0.456 0.003 . 2 . . . A 30 VAL HG21 . 19766 1 355 . 1 1 30 30 VAL HG22 H 1 0.456 0.003 . 2 . . . A 30 VAL HG22 . 19766 1 356 . 1 1 30 30 VAL HG23 H 1 0.456 0.003 . 2 . . . A 30 VAL HG23 . 19766 1 357 . 1 1 30 30 VAL C C 13 179.968 0.000 . 1 . . . A 30 VAL C . 19766 1 358 . 1 1 30 30 VAL CA C 13 65.515 0.029 . 1 . . . A 30 VAL CA . 19766 1 359 . 1 1 30 30 VAL CB C 13 33.044 0.020 . 1 . . . A 30 VAL CB . 19766 1 360 . 1 1 30 30 VAL CG1 C 13 23.297 0.056 . 2 . . . A 30 VAL CG1 . 19766 1 361 . 1 1 30 30 VAL CG2 C 13 20.885 0.055 . 2 . . . A 30 VAL CG2 . 19766 1 362 . 1 1 30 30 VAL N N 15 116.487 0.043 . 1 . . . A 30 VAL N . 19766 1 363 . 1 1 31 31 PHE H H 1 8.876 0.006 . 1 . . . A 31 PHE H . 19766 1 364 . 1 1 31 31 PHE HA H 1 3.867 0.004 . 1 . . . A 31 PHE HA . 19766 1 365 . 1 1 31 31 PHE HB2 H 1 2.920 0.010 . 2 . . . A 31 PHE HB2 . 19766 1 366 . 1 1 31 31 PHE HB3 H 1 3.110 0.008 . 2 . . . A 31 PHE HB3 . 19766 1 367 . 1 1 31 31 PHE HD1 H 1 7.858 0.005 . 3 . . . A 31 PHE HD1 . 19766 1 368 . 1 1 31 31 PHE HD2 H 1 7.858 0.005 . 3 . . . A 31 PHE HD2 . 19766 1 369 . 1 1 31 31 PHE HE1 H 1 6.979 0.004 . 3 . . . A 31 PHE HE1 . 19766 1 370 . 1 1 31 31 PHE HE2 H 1 6.979 0.004 . 3 . . . A 31 PHE HE2 . 19766 1 371 . 1 1 31 31 PHE C C 13 179.577 0.000 . 1 . . . A 31 PHE C . 19766 1 372 . 1 1 31 31 PHE CA C 13 62.403 0.035 . 1 . . . A 31 PHE CA . 19766 1 373 . 1 1 31 31 PHE CB C 13 37.313 0.025 . 1 . . . A 31 PHE CB . 19766 1 374 . 1 1 31 31 PHE CD1 C 13 132.157 0.077 . 3 . . . A 31 PHE CD1 . 19766 1 375 . 1 1 31 31 PHE CD2 C 13 132.157 0.077 . 3 . . . A 31 PHE CD2 . 19766 1 376 . 1 1 31 31 PHE CE1 C 13 130.261 0.300 . 3 . . . A 31 PHE CE1 . 19766 1 377 . 1 1 31 31 PHE CE2 C 13 130.261 0.300 . 3 . . . A 31 PHE CE2 . 19766 1 378 . 1 1 31 31 PHE N N 15 113.658 0.036 . 1 . . . A 31 PHE N . 19766 1 379 . 1 1 32 32 SER H H 1 8.106 0.002 . 1 . . . A 32 SER H . 19766 1 380 . 1 1 32 32 SER HA H 1 5.381 0.006 . 1 . . . A 32 SER HA . 19766 1 381 . 1 1 32 32 SER HB2 H 1 4.034 0.005 . 2 . . . A 32 SER HB2 . 19766 1 382 . 1 1 32 32 SER HB3 H 1 4.034 0.005 . 2 . . . A 32 SER HB3 . 19766 1 383 . 1 1 32 32 SER HG H 1 6.106 0.010 . 1 . . . A 32 SER HG . 19766 1 384 . 1 1 32 32 SER C C 13 172.662 0.000 . 1 . . . A 32 SER C . 19766 1 385 . 1 1 32 32 SER CA C 13 61.338 0.030 . 1 . . . A 32 SER CA . 19766 1 386 . 1 1 32 32 SER CB C 13 63.875 0.072 . 1 . . . A 32 SER CB . 19766 1 387 . 1 1 32 32 SER N N 15 118.635 0.042 . 1 . . . A 32 SER N . 19766 1 388 . 1 1 33 33 GLU H H 1 6.964 0.006 . 1 . . . A 33 GLU H . 19766 1 389 . 1 1 33 33 GLU HA H 1 2.157 0.016 . 1 . . . A 33 GLU HA . 19766 1 390 . 1 1 33 33 GLU HB2 H 1 0.589 0.003 . 2 . . . A 33 GLU HB2 . 19766 1 391 . 1 1 33 33 GLU HB3 H 1 0.589 0.003 . 2 . . . A 33 GLU HB3 . 19766 1 392 . 1 1 33 33 GLU HG2 H 1 0.336 0.020 . 2 . . . A 33 GLU HG2 . 19766 1 393 . 1 1 33 33 GLU HG3 H 1 0.336 0.020 . 2 . . . A 33 GLU HG3 . 19766 1 394 . 1 1 33 33 GLU C C 13 174.223 0.000 . 1 . . . A 33 GLU C . 19766 1 395 . 1 1 33 33 GLU CA C 13 59.640 0.300 . 1 . . . A 33 GLU CA . 19766 1 396 . 1 1 33 33 GLU CB C 13 27.831 0.300 . 1 . . . A 33 GLU CB . 19766 1 397 . 1 1 33 33 GLU CG C 13 34.426 0.300 . 1 . . . A 33 GLU CG . 19766 1 398 . 1 1 33 33 GLU N N 15 121.234 0.036 . 1 . . . A 33 GLU N . 19766 1 399 . 1 1 34 34 TYR H H 1 6.229 0.005 . 1 . . . A 34 TYR H . 19766 1 400 . 1 1 34 34 TYR HA H 1 4.153 0.008 . 1 . . . A 34 TYR HA . 19766 1 401 . 1 1 34 34 TYR HB2 H 1 3.422 0.006 . 2 . . . A 34 TYR HB2 . 19766 1 402 . 1 1 34 34 TYR HB3 H 1 2.223 0.016 . 2 . . . A 34 TYR HB3 . 19766 1 403 . 1 1 34 34 TYR HD1 H 1 6.654 0.004 . 3 . . . A 34 TYR HD1 . 19766 1 404 . 1 1 34 34 TYR HD2 H 1 6.654 0.004 . 3 . . . A 34 TYR HD2 . 19766 1 405 . 1 1 34 34 TYR HE1 H 1 6.493 0.003 . 3 . . . A 34 TYR HE1 . 19766 1 406 . 1 1 34 34 TYR HE2 H 1 6.493 0.003 . 3 . . . A 34 TYR HE2 . 19766 1 407 . 1 1 34 34 TYR C C 13 173.208 0.000 . 1 . . . A 34 TYR C . 19766 1 408 . 1 1 34 34 TYR CA C 13 57.329 0.040 . 1 . . . A 34 TYR CA . 19766 1 409 . 1 1 34 34 TYR CB C 13 38.878 0.056 . 1 . . . A 34 TYR CB . 19766 1 410 . 1 1 34 34 TYR CD1 C 13 132.023 0.080 . 3 . . . A 34 TYR CD1 . 19766 1 411 . 1 1 34 34 TYR CD2 C 13 132.023 0.080 . 3 . . . A 34 TYR CD2 . 19766 1 412 . 1 1 34 34 TYR CE1 C 13 118.100 0.085 . 3 . . . A 34 TYR CE1 . 19766 1 413 . 1 1 34 34 TYR CE2 C 13 118.100 0.085 . 3 . . . A 34 TYR CE2 . 19766 1 414 . 1 1 34 34 TYR N N 15 107.930 0.057 . 1 . . . A 34 TYR N . 19766 1 415 . 1 1 35 35 GLY H H 1 7.257 0.005 . 1 . . . A 35 GLY H . 19766 1 416 . 1 1 35 35 GLY HA2 H 1 4.125 0.010 . 2 . . . A 35 GLY HA2 . 19766 1 417 . 1 1 35 35 GLY HA3 H 1 3.725 0.007 . 2 . . . A 35 GLY HA3 . 19766 1 418 . 1 1 35 35 GLY C C 13 170.379 0.000 . 1 . . . A 35 GLY C . 19766 1 419 . 1 1 35 35 GLY CA C 13 44.679 0.038 . 1 . . . A 35 GLY CA . 19766 1 420 . 1 1 35 35 GLY N N 15 103.542 0.026 . 1 . . . A 35 GLY N . 19766 1 421 . 1 1 36 36 VAL H H 1 8.438 0.004 . 1 . . . A 36 VAL H . 19766 1 422 . 1 1 36 36 VAL HA H 1 4.504 0.001 . 1 . . . A 36 VAL HA . 19766 1 423 . 1 1 36 36 VAL HB H 1 2.096 0.004 . 1 . . . A 36 VAL HB . 19766 1 424 . 1 1 36 36 VAL HG11 H 1 1.039 0.003 . 2 . . . A 36 VAL HG11 . 19766 1 425 . 1 1 36 36 VAL HG12 H 1 1.039 0.003 . 2 . . . A 36 VAL HG12 . 19766 1 426 . 1 1 36 36 VAL HG13 H 1 1.039 0.003 . 2 . . . A 36 VAL HG13 . 19766 1 427 . 1 1 36 36 VAL HG21 H 1 0.922 0.004 . 2 . . . A 36 VAL HG21 . 19766 1 428 . 1 1 36 36 VAL HG22 H 1 0.922 0.004 . 2 . . . A 36 VAL HG22 . 19766 1 429 . 1 1 36 36 VAL HG23 H 1 0.922 0.004 . 2 . . . A 36 VAL HG23 . 19766 1 430 . 1 1 36 36 VAL CA C 13 59.715 0.043 . 1 . . . A 36 VAL CA . 19766 1 431 . 1 1 36 36 VAL CB C 13 34.031 0.021 . 1 . . . A 36 VAL CB . 19766 1 432 . 1 1 36 36 VAL CG1 C 13 21.350 0.073 . 2 . . . A 36 VAL CG1 . 19766 1 433 . 1 1 36 36 VAL CG2 C 13 20.708 0.039 . 2 . . . A 36 VAL CG2 . 19766 1 434 . 1 1 36 36 VAL N N 15 120.446 0.030 . 1 . . . A 36 VAL N . 19766 1 435 . 1 1 37 37 PRO HA H 1 4.703 0.020 . 1 . . . A 37 PRO HA . 19766 1 436 . 1 1 37 37 PRO HB2 H 1 1.732 0.004 . 2 . . . A 37 PRO HB2 . 19766 1 437 . 1 1 37 37 PRO HB3 H 1 1.607 0.004 . 2 . . . A 37 PRO HB3 . 19766 1 438 . 1 1 37 37 PRO HG2 H 1 1.995 0.006 . 2 . . . A 37 PRO HG2 . 19766 1 439 . 1 1 37 37 PRO HG3 H 1 1.525 0.004 . 2 . . . A 37 PRO HG3 . 19766 1 440 . 1 1 37 37 PRO HD2 H 1 3.825 0.003 . 2 . . . A 37 PRO HD2 . 19766 1 441 . 1 1 37 37 PRO HD3 H 1 3.825 0.003 . 2 . . . A 37 PRO HD3 . 19766 1 442 . 1 1 37 37 PRO CA C 13 62.374 0.300 . 1 . . . A 37 PRO CA . 19766 1 443 . 1 1 37 37 PRO CB C 13 32.071 0.048 . 1 . . . A 37 PRO CB . 19766 1 444 . 1 1 37 37 PRO CG C 13 28.599 0.050 . 1 . . . A 37 PRO CG . 19766 1 445 . 1 1 37 37 PRO CD C 13 51.814 0.049 . 1 . . . A 37 PRO CD . 19766 1 446 . 1 1 38 38 VAL H H 1 8.966 0.005 . 1 . . . A 38 VAL H . 19766 1 447 . 1 1 38 38 VAL HA H 1 4.482 0.005 . 1 . . . A 38 VAL HA . 19766 1 448 . 1 1 38 38 VAL HB H 1 2.284 0.005 . 1 . . . A 38 VAL HB . 19766 1 449 . 1 1 38 38 VAL HG11 H 1 0.890 0.004 . 2 . . . A 38 VAL HG11 . 19766 1 450 . 1 1 38 38 VAL HG12 H 1 0.890 0.004 . 2 . . . A 38 VAL HG12 . 19766 1 451 . 1 1 38 38 VAL HG13 H 1 0.890 0.004 . 2 . . . A 38 VAL HG13 . 19766 1 452 . 1 1 38 38 VAL HG21 H 1 0.444 0.002 . 2 . . . A 38 VAL HG21 . 19766 1 453 . 1 1 38 38 VAL HG22 H 1 0.444 0.002 . 2 . . . A 38 VAL HG22 . 19766 1 454 . 1 1 38 38 VAL HG23 H 1 0.444 0.002 . 2 . . . A 38 VAL HG23 . 19766 1 455 . 1 1 38 38 VAL CA C 13 60.454 0.041 . 1 . . . A 38 VAL CA . 19766 1 456 . 1 1 38 38 VAL CB C 13 32.504 0.022 . 1 . . . A 38 VAL CB . 19766 1 457 . 1 1 38 38 VAL CG1 C 13 21.143 0.014 . 2 . . . A 38 VAL CG1 . 19766 1 458 . 1 1 38 38 VAL CG2 C 13 18.417 0.017 . 2 . . . A 38 VAL CG2 . 19766 1 459 . 1 1 38 38 VAL N N 15 113.929 0.060 . 1 . . . A 38 VAL N . 19766 1 460 . 1 1 39 39 ASP H H 1 7.500 0.002 . 1 . . . A 39 ASP H . 19766 1 461 . 1 1 39 39 ASP HA H 1 4.675 0.020 . 1 . . . A 39 ASP HA . 19766 1 462 . 1 1 39 39 ASP HB2 H 1 2.182 0.008 . 2 . . . A 39 ASP HB2 . 19766 1 463 . 1 1 39 39 ASP HB3 H 1 2.649 0.004 . 2 . . . A 39 ASP HB3 . 19766 1 464 . 1 1 39 39 ASP C C 13 174.637 0.000 . 1 . . . A 39 ASP C . 19766 1 465 . 1 1 39 39 ASP CA C 13 54.688 0.300 . 1 . . . A 39 ASP CA . 19766 1 466 . 1 1 39 39 ASP CB C 13 43.807 0.016 . 1 . . . A 39 ASP CB . 19766 1 467 . 1 1 39 39 ASP N N 15 118.213 0.022 . 1 . . . A 39 ASP N . 19766 1 468 . 1 1 40 40 VAL H H 1 7.657 0.003 . 1 . . . A 40 VAL H . 19766 1 469 . 1 1 40 40 VAL HA H 1 4.991 0.004 . 1 . . . A 40 VAL HA . 19766 1 470 . 1 1 40 40 VAL HB H 1 2.013 0.004 . 1 . . . A 40 VAL HB . 19766 1 471 . 1 1 40 40 VAL HG11 H 1 0.838 0.002 . 2 . . . A 40 VAL HG11 . 19766 1 472 . 1 1 40 40 VAL HG12 H 1 0.838 0.002 . 2 . . . A 40 VAL HG12 . 19766 1 473 . 1 1 40 40 VAL HG13 H 1 0.838 0.002 . 2 . . . A 40 VAL HG13 . 19766 1 474 . 1 1 40 40 VAL HG21 H 1 0.944 0.003 . 2 . . . A 40 VAL HG21 . 19766 1 475 . 1 1 40 40 VAL HG22 H 1 0.944 0.003 . 2 . . . A 40 VAL HG22 . 19766 1 476 . 1 1 40 40 VAL HG23 H 1 0.944 0.003 . 2 . . . A 40 VAL HG23 . 19766 1 477 . 1 1 40 40 VAL C C 13 170.562 0.000 . 1 . . . A 40 VAL C . 19766 1 478 . 1 1 40 40 VAL CA C 13 60.358 0.033 . 1 . . . A 40 VAL CA . 19766 1 479 . 1 1 40 40 VAL CB C 13 34.219 0.035 . 1 . . . A 40 VAL CB . 19766 1 480 . 1 1 40 40 VAL CG1 C 13 21.423 0.032 . 2 . . . A 40 VAL CG1 . 19766 1 481 . 1 1 40 40 VAL CG2 C 13 18.991 0.038 . 2 . . . A 40 VAL CG2 . 19766 1 482 . 1 1 40 40 VAL N N 15 121.576 0.037 . 1 . . . A 40 VAL N . 19766 1 483 . 1 1 41 41 ILE H H 1 8.901 0.004 . 1 . . . A 41 ILE H . 19766 1 484 . 1 1 41 41 ILE HA H 1 4.818 0.020 . 1 . . . A 41 ILE HA . 19766 1 485 . 1 1 41 41 ILE HB H 1 1.706 0.008 . 1 . . . A 41 ILE HB . 19766 1 486 . 1 1 41 41 ILE HG12 H 1 1.339 0.006 . 2 . . . A 41 ILE HG12 . 19766 1 487 . 1 1 41 41 ILE HG13 H 1 1.809 0.003 . 2 . . . A 41 ILE HG13 . 19766 1 488 . 1 1 41 41 ILE HG21 H 1 0.767 0.002 . 1 . . . A 41 ILE HG21 . 19766 1 489 . 1 1 41 41 ILE HG22 H 1 0.767 0.002 . 1 . . . A 41 ILE HG22 . 19766 1 490 . 1 1 41 41 ILE HG23 H 1 0.767 0.002 . 1 . . . A 41 ILE HG23 . 19766 1 491 . 1 1 41 41 ILE HD11 H 1 0.278 0.005 . 1 . . . A 41 ILE HD11 . 19766 1 492 . 1 1 41 41 ILE HD12 H 1 0.278 0.005 . 1 . . . A 41 ILE HD12 . 19766 1 493 . 1 1 41 41 ILE HD13 H 1 0.278 0.005 . 1 . . . A 41 ILE HD13 . 19766 1 494 . 1 1 41 41 ILE C C 13 175.425 0.000 . 1 . . . A 41 ILE C . 19766 1 495 . 1 1 41 41 ILE CA C 13 61.490 0.300 . 1 . . . A 41 ILE CA . 19766 1 496 . 1 1 41 41 ILE CB C 13 42.556 0.040 . 1 . . . A 41 ILE CB . 19766 1 497 . 1 1 41 41 ILE CG1 C 13 29.876 0.021 . 1 . . . A 41 ILE CG1 . 19766 1 498 . 1 1 41 41 ILE CG2 C 13 19.692 0.031 . 1 . . . A 41 ILE CG2 . 19766 1 499 . 1 1 41 41 ILE CD1 C 13 17.050 0.023 . 1 . . . A 41 ILE CD1 . 19766 1 500 . 1 1 41 41 ILE N N 15 125.384 0.023 . 1 . . . A 41 ILE N . 19766 1 501 . 1 1 42 42 LEU H H 1 8.344 0.004 . 1 . . . A 42 LEU H . 19766 1 502 . 1 1 42 42 LEU HA H 1 4.461 0.004 . 1 . . . A 42 LEU HA . 19766 1 503 . 1 1 42 42 LEU HB2 H 1 2.259 0.006 . 2 . . . A 42 LEU HB2 . 19766 1 504 . 1 1 42 42 LEU HB3 H 1 2.259 0.006 . 2 . . . A 42 LEU HB3 . 19766 1 505 . 1 1 42 42 LEU HG H 1 1.249 0.002 . 1 . . . A 42 LEU HG . 19766 1 506 . 1 1 42 42 LEU HD11 H 1 0.731 0.001 . 2 . . . A 42 LEU HD11 . 19766 1 507 . 1 1 42 42 LEU HD12 H 1 0.731 0.001 . 2 . . . A 42 LEU HD12 . 19766 1 508 . 1 1 42 42 LEU HD13 H 1 0.731 0.001 . 2 . . . A 42 LEU HD13 . 19766 1 509 . 1 1 42 42 LEU HD21 H 1 0.693 0.001 . 2 . . . A 42 LEU HD21 . 19766 1 510 . 1 1 42 42 LEU HD22 H 1 0.693 0.001 . 2 . . . A 42 LEU HD22 . 19766 1 511 . 1 1 42 42 LEU HD23 H 1 0.693 0.001 . 2 . . . A 42 LEU HD23 . 19766 1 512 . 1 1 42 42 LEU C C 13 174.934 0.000 . 1 . . . A 42 LEU C . 19766 1 513 . 1 1 42 42 LEU CA C 13 53.377 0.046 . 1 . . . A 42 LEU CA . 19766 1 514 . 1 1 42 42 LEU CB C 13 43.539 0.061 . 1 . . . A 42 LEU CB . 19766 1 515 . 1 1 42 42 LEU CG C 13 26.948 0.028 . 1 . . . A 42 LEU CG . 19766 1 516 . 1 1 42 42 LEU CD1 C 13 25.670 0.023 . 2 . . . A 42 LEU CD1 . 19766 1 517 . 1 1 42 42 LEU CD2 C 13 22.968 0.031 . 2 . . . A 42 LEU CD2 . 19766 1 518 . 1 1 42 42 LEU N N 15 128.888 0.025 . 1 . . . A 42 LEU N . 19766 1 519 . 1 1 43 43 SER H H 1 8.362 0.009 . 1 . . . A 43 SER H . 19766 1 520 . 1 1 43 43 SER HA H 1 3.876 0.008 . 1 . . . A 43 SER HA . 19766 1 521 . 1 1 43 43 SER HB2 H 1 2.746 0.003 . 2 . . . A 43 SER HB2 . 19766 1 522 . 1 1 43 43 SER HB3 H 1 2.602 0.004 . 2 . . . A 43 SER HB3 . 19766 1 523 . 1 1 43 43 SER C C 13 173.869 0.000 . 1 . . . A 43 SER C . 19766 1 524 . 1 1 43 43 SER CA C 13 59.688 0.022 . 1 . . . A 43 SER CA . 19766 1 525 . 1 1 43 43 SER CB C 13 62.673 0.035 . 1 . . . A 43 SER CB . 19766 1 526 . 1 1 43 43 SER N N 15 122.818 0.019 . 1 . . . A 43 SER N . 19766 1 527 . 1 1 44 44 ARG H H 1 8.079 0.004 . 1 . . . A 44 ARG H . 19766 1 528 . 1 1 44 44 ARG HA H 1 4.829 0.020 . 1 . . . A 44 ARG HA . 19766 1 529 . 1 1 44 44 ARG HB2 H 1 1.167 0.003 . 2 . . . A 44 ARG HB2 . 19766 1 530 . 1 1 44 44 ARG HB3 H 1 1.167 0.003 . 2 . . . A 44 ARG HB3 . 19766 1 531 . 1 1 44 44 ARG HD2 H 1 2.813 0.007 . 2 . . . A 44 ARG HD2 . 19766 1 532 . 1 1 44 44 ARG HD3 H 1 3.133 0.007 . 2 . . . A 44 ARG HD3 . 19766 1 533 . 1 1 44 44 ARG HE H 1 8.321 0.004 . 1 . . . A 44 ARG HE . 19766 1 534 . 1 1 44 44 ARG HH12 H 1 6.892 0.001 . 2 . . . A 44 ARG HH12 . 19766 1 535 . 1 1 44 44 ARG C C 13 175.031 0.000 . 1 . . . A 44 ARG C . 19766 1 536 . 1 1 44 44 ARG CA C 13 54.062 0.300 . 1 . . . A 44 ARG CA . 19766 1 537 . 1 1 44 44 ARG CB C 13 34.298 0.023 . 1 . . . A 44 ARG CB . 19766 1 538 . 1 1 44 44 ARG CD C 13 43.430 0.078 . 1 . . . A 44 ARG CD . 19766 1 539 . 1 1 44 44 ARG N N 15 128.045 0.025 . 1 . . . A 44 ARG N . 19766 1 540 . 1 1 44 44 ARG NE N 15 84.491 0.048 . 1 . . . A 44 ARG NE . 19766 1 541 . 1 1 44 44 ARG NH1 N 15 70.398 0.020 . 2 . . . A 44 ARG NH1 . 19766 1 542 . 1 1 45 45 ASP H H 1 8.663 0.002 . 1 . . . A 45 ASP H . 19766 1 543 . 1 1 45 45 ASP HA H 1 4.237 0.002 . 1 . . . A 45 ASP HA . 19766 1 544 . 1 1 45 45 ASP HB2 H 1 2.995 0.004 . 2 . . . A 45 ASP HB2 . 19766 1 545 . 1 1 45 45 ASP HB3 H 1 2.541 0.002 . 2 . . . A 45 ASP HB3 . 19766 1 546 . 1 1 45 45 ASP C C 13 177.487 0.000 . 1 . . . A 45 ASP C . 19766 1 547 . 1 1 45 45 ASP CA C 13 54.917 0.029 . 1 . . . A 45 ASP CA . 19766 1 548 . 1 1 45 45 ASP CB C 13 43.611 0.030 . 1 . . . A 45 ASP CB . 19766 1 549 . 1 1 45 45 ASP N N 15 123.491 0.026 . 1 . . . A 45 ASP N . 19766 1 550 . 1 1 46 46 GLU H H 1 9.007 0.008 . 1 . . . A 46 GLU H . 19766 1 551 . 1 1 46 46 GLU HA H 1 3.907 0.005 . 1 . . . A 46 GLU HA . 19766 1 552 . 1 1 46 46 GLU HB2 H 1 2.048 0.015 . 2 . . . A 46 GLU HB2 . 19766 1 553 . 1 1 46 46 GLU HB3 H 1 1.964 0.012 . 2 . . . A 46 GLU HB3 . 19766 1 554 . 1 1 46 46 GLU HG2 H 1 2.233 0.003 . 2 . . . A 46 GLU HG2 . 19766 1 555 . 1 1 46 46 GLU HG3 H 1 2.292 0.003 . 2 . . . A 46 GLU HG3 . 19766 1 556 . 1 1 46 46 GLU C C 13 175.655 0.000 . 1 . . . A 46 GLU C . 19766 1 557 . 1 1 46 46 GLU CA C 13 58.873 0.059 . 1 . . . A 46 GLU CA . 19766 1 558 . 1 1 46 46 GLU CB C 13 29.654 0.032 . 1 . . . A 46 GLU CB . 19766 1 559 . 1 1 46 46 GLU CG C 13 36.430 0.034 . 1 . . . A 46 GLU CG . 19766 1 560 . 1 1 46 46 GLU N N 15 125.446 0.036 . 1 . . . A 46 GLU N . 19766 1 561 . 1 1 47 47 ASN H H 1 8.947 0.008 . 1 . . . A 47 ASN H . 19766 1 562 . 1 1 47 47 ASN HA H 1 4.884 0.004 . 1 . . . A 47 ASN HA . 19766 1 563 . 1 1 47 47 ASN HB2 H 1 2.965 0.002 . 2 . . . A 47 ASN HB2 . 19766 1 564 . 1 1 47 47 ASN HB3 H 1 2.770 0.002 . 2 . . . A 47 ASN HB3 . 19766 1 565 . 1 1 47 47 ASN HD21 H 1 6.970 0.001 . 2 . . . A 47 ASN HD21 . 19766 1 566 . 1 1 47 47 ASN HD22 H 1 7.840 0.001 . 2 . . . A 47 ASN HD22 . 19766 1 567 . 1 1 47 47 ASN C C 13 176.665 0.000 . 1 . . . A 47 ASN C . 19766 1 568 . 1 1 47 47 ASN CA C 13 54.939 0.022 . 1 . . . A 47 ASN CA . 19766 1 569 . 1 1 47 47 ASN CB C 13 40.230 0.020 . 1 . . . A 47 ASN CB . 19766 1 570 . 1 1 47 47 ASN N N 15 115.343 0.035 . 1 . . . A 47 ASN N . 19766 1 571 . 1 1 47 47 ASN ND2 N 15 114.641 0.034 . 1 . . . A 47 ASN ND2 . 19766 1 572 . 1 1 48 48 THR H H 1 8.450 0.002 . 1 . . . A 48 THR H . 19766 1 573 . 1 1 48 48 THR HA H 1 4.468 0.002 . 1 . . . A 48 THR HA . 19766 1 574 . 1 1 48 48 THR HB H 1 4.394 0.003 . 1 . . . A 48 THR HB . 19766 1 575 . 1 1 48 48 THR HG21 H 1 1.166 0.002 . 1 . . . A 48 THR HG21 . 19766 1 576 . 1 1 48 48 THR HG22 H 1 1.166 0.002 . 1 . . . A 48 THR HG22 . 19766 1 577 . 1 1 48 48 THR HG23 H 1 1.166 0.002 . 1 . . . A 48 THR HG23 . 19766 1 578 . 1 1 48 48 THR C C 13 176.465 0.000 . 1 . . . A 48 THR C . 19766 1 579 . 1 1 48 48 THR CA C 13 61.555 0.049 . 1 . . . A 48 THR CA . 19766 1 580 . 1 1 48 48 THR CB C 13 71.342 0.045 . 1 . . . A 48 THR CB . 19766 1 581 . 1 1 48 48 THR CG2 C 13 21.113 0.024 . 1 . . . A 48 THR CG2 . 19766 1 582 . 1 1 48 48 THR N N 15 107.604 0.030 . 1 . . . A 48 THR N . 19766 1 583 . 1 1 49 49 GLY H H 1 8.632 0.002 . 1 . . . A 49 GLY H . 19766 1 584 . 1 1 49 49 GLY HA2 H 1 4.252 0.006 . 2 . . . A 49 GLY HA2 . 19766 1 585 . 1 1 49 49 GLY HA3 H 1 3.633 0.005 . 2 . . . A 49 GLY HA3 . 19766 1 586 . 1 1 49 49 GLY C C 13 173.193 0.000 . 1 . . . A 49 GLY C . 19766 1 587 . 1 1 49 49 GLY CA C 13 45.723 0.035 . 1 . . . A 49 GLY CA . 19766 1 588 . 1 1 49 49 GLY N N 15 111.809 0.015 . 1 . . . A 49 GLY N . 19766 1 589 . 1 1 50 50 GLU H H 1 7.825 0.001 . 1 . . . A 50 GLU H . 19766 1 590 . 1 1 50 50 GLU HA H 1 4.133 0.003 . 1 . . . A 50 GLU HA . 19766 1 591 . 1 1 50 50 GLU HB2 H 1 2.032 0.002 . 2 . . . A 50 GLU HB2 . 19766 1 592 . 1 1 50 50 GLU HB3 H 1 1.876 0.004 . 2 . . . A 50 GLU HB3 . 19766 1 593 . 1 1 50 50 GLU HG2 H 1 2.293 0.002 . 2 . . . A 50 GLU HG2 . 19766 1 594 . 1 1 50 50 GLU HG3 H 1 2.236 0.002 . 2 . . . A 50 GLU HG3 . 19766 1 595 . 1 1 50 50 GLU C C 13 176.586 0.000 . 1 . . . A 50 GLU C . 19766 1 596 . 1 1 50 50 GLU CA C 13 56.532 0.020 . 1 . . . A 50 GLU CA . 19766 1 597 . 1 1 50 50 GLU CB C 13 31.084 0.025 . 1 . . . A 50 GLU CB . 19766 1 598 . 1 1 50 50 GLU CG C 13 36.462 0.020 . 1 . . . A 50 GLU CG . 19766 1 599 . 1 1 50 50 GLU N N 15 120.089 0.028 . 1 . . . A 50 GLU N . 19766 1 600 . 1 1 51 51 SER H H 1 8.871 0.005 . 1 . . . A 51 SER H . 19766 1 601 . 1 1 51 51 SER HA H 1 4.273 0.004 . 1 . . . A 51 SER HA . 19766 1 602 . 1 1 51 51 SER HB2 H 1 4.134 0.003 . 2 . . . A 51 SER HB2 . 19766 1 603 . 1 1 51 51 SER HB3 H 1 4.134 0.003 . 2 . . . A 51 SER HB3 . 19766 1 604 . 1 1 51 51 SER C C 13 176.516 0.000 . 1 . . . A 51 SER C . 19766 1 605 . 1 1 51 51 SER CA C 13 58.415 0.007 . 1 . . . A 51 SER CA . 19766 1 606 . 1 1 51 51 SER CB C 13 64.668 0.002 . 1 . . . A 51 SER CB . 19766 1 607 . 1 1 51 51 SER N N 15 115.686 0.032 . 1 . . . A 51 SER N . 19766 1 608 . 1 1 52 52 GLN H H 1 9.103 0.004 . 1 . . . A 52 GLN H . 19766 1 609 . 1 1 52 52 GLN HA H 1 4.491 0.002 . 1 . . . A 52 GLN HA . 19766 1 610 . 1 1 52 52 GLN HB2 H 1 1.368 0.006 . 2 . . . A 52 GLN HB2 . 19766 1 611 . 1 1 52 52 GLN HB3 H 1 2.380 0.002 . 2 . . . A 52 GLN HB3 . 19766 1 612 . 1 1 52 52 GLN HG2 H 1 2.166 0.004 . 2 . . . A 52 GLN HG2 . 19766 1 613 . 1 1 52 52 GLN HG3 H 1 2.270 0.005 . 2 . . . A 52 GLN HG3 . 19766 1 614 . 1 1 52 52 GLN HE21 H 1 6.882 0.003 . 2 . . . A 52 GLN HE21 . 19766 1 615 . 1 1 52 52 GLN HE22 H 1 7.606 0.002 . 2 . . . A 52 GLN HE22 . 19766 1 616 . 1 1 52 52 GLN C C 13 177.471 0.000 . 1 . . . A 52 GLN C . 19766 1 617 . 1 1 52 52 GLN CA C 13 55.147 0.018 . 1 . . . A 52 GLN CA . 19766 1 618 . 1 1 52 52 GLN CB C 13 29.880 0.035 . 1 . . . A 52 GLN CB . 19766 1 619 . 1 1 52 52 GLN CG C 13 34.827 0.051 . 1 . . . A 52 GLN CG . 19766 1 620 . 1 1 52 52 GLN N N 15 123.284 0.037 . 1 . . . A 52 GLN N . 19766 1 621 . 1 1 52 52 GLN NE2 N 15 112.512 0.032 . 1 . . . A 52 GLN NE2 . 19766 1 622 . 1 1 53 53 GLY H H 1 8.888 0.002 . 1 . . . A 53 GLY H . 19766 1 623 . 1 1 53 53 GLY HA2 H 1 4.160 0.005 . 2 . . . A 53 GLY HA2 . 19766 1 624 . 1 1 53 53 GLY HA3 H 1 3.423 0.005 . 2 . . . A 53 GLY HA3 . 19766 1 625 . 1 1 53 53 GLY C C 13 172.010 0.000 . 1 . . . A 53 GLY C . 19766 1 626 . 1 1 53 53 GLY CA C 13 46.645 0.045 . 1 . . . A 53 GLY CA . 19766 1 627 . 1 1 53 53 GLY N N 15 105.865 0.014 . 1 . . . A 53 GLY N . 19766 1 628 . 1 1 54 54 PHE H H 1 6.879 0.006 . 1 . . . A 54 PHE H . 19766 1 629 . 1 1 54 54 PHE HA H 1 5.346 0.008 . 1 . . . A 54 PHE HA . 19766 1 630 . 1 1 54 54 PHE HB2 H 1 3.224 0.007 . 2 . . . A 54 PHE HB2 . 19766 1 631 . 1 1 54 54 PHE HB3 H 1 2.616 0.012 . 2 . . . A 54 PHE HB3 . 19766 1 632 . 1 1 54 54 PHE HD1 H 1 6.842 0.003 . 3 . . . A 54 PHE HD1 . 19766 1 633 . 1 1 54 54 PHE HD2 H 1 6.842 0.003 . 3 . . . A 54 PHE HD2 . 19766 1 634 . 1 1 54 54 PHE HE1 H 1 7.435 0.004 . 3 . . . A 54 PHE HE1 . 19766 1 635 . 1 1 54 54 PHE HE2 H 1 7.435 0.004 . 3 . . . A 54 PHE HE2 . 19766 1 636 . 1 1 54 54 PHE C C 13 171.548 0.000 . 1 . . . A 54 PHE C . 19766 1 637 . 1 1 54 54 PHE CA C 13 55.671 0.045 . 1 . . . A 54 PHE CA . 19766 1 638 . 1 1 54 54 PHE CB C 13 40.680 0.034 . 1 . . . A 54 PHE CB . 19766 1 639 . 1 1 54 54 PHE CD1 C 13 132.980 0.161 . 3 . . . A 54 PHE CD1 . 19766 1 640 . 1 1 54 54 PHE CD2 C 13 132.980 0.161 . 3 . . . A 54 PHE CD2 . 19766 1 641 . 1 1 54 54 PHE CE1 C 13 131.173 0.094 . 3 . . . A 54 PHE CE1 . 19766 1 642 . 1 1 54 54 PHE CE2 C 13 131.173 0.094 . 3 . . . A 54 PHE CE2 . 19766 1 643 . 1 1 54 54 PHE N N 15 112.097 0.058 . 1 . . . A 54 PHE N . 19766 1 644 . 1 1 55 55 ALA H H 1 9.051 0.006 . 1 . . . A 55 ALA H . 19766 1 645 . 1 1 55 55 ALA HA H 1 5.123 0.005 . 1 . . . A 55 ALA HA . 19766 1 646 . 1 1 55 55 ALA HB1 H 1 1.047 0.001 . 1 . . . A 55 ALA HB1 . 19766 1 647 . 1 1 55 55 ALA HB2 H 1 1.047 0.001 . 1 . . . A 55 ALA HB2 . 19766 1 648 . 1 1 55 55 ALA HB3 H 1 1.047 0.001 . 1 . . . A 55 ALA HB3 . 19766 1 649 . 1 1 55 55 ALA C C 13 173.074 0.000 . 1 . . . A 55 ALA C . 19766 1 650 . 1 1 55 55 ALA CA C 13 49.529 0.027 . 1 . . . A 55 ALA CA . 19766 1 651 . 1 1 55 55 ALA CB C 13 25.739 0.025 . 1 . . . A 55 ALA CB . 19766 1 652 . 1 1 55 55 ALA N N 15 122.332 0.049 . 1 . . . A 55 ALA N . 19766 1 653 . 1 1 56 56 TYR H H 1 9.007 0.005 . 1 . . . A 56 TYR H . 19766 1 654 . 1 1 56 56 TYR HA H 1 5.674 0.005 . 1 . . . A 56 TYR HA . 19766 1 655 . 1 1 56 56 TYR HB2 H 1 2.578 0.007 . 2 . . . A 56 TYR HB2 . 19766 1 656 . 1 1 56 56 TYR HB3 H 1 2.297 0.006 . 2 . . . A 56 TYR HB3 . 19766 1 657 . 1 1 56 56 TYR HD1 H 1 6.835 0.004 . 3 . . . A 56 TYR HD1 . 19766 1 658 . 1 1 56 56 TYR HD2 H 1 6.835 0.004 . 3 . . . A 56 TYR HD2 . 19766 1 659 . 1 1 56 56 TYR HE1 H 1 7.057 0.003 . 3 . . . A 56 TYR HE1 . 19766 1 660 . 1 1 56 56 TYR HE2 H 1 7.057 0.003 . 3 . . . A 56 TYR HE2 . 19766 1 661 . 1 1 56 56 TYR C C 13 175.292 0.000 . 1 . . . A 56 TYR C . 19766 1 662 . 1 1 56 56 TYR CA C 13 55.581 0.060 . 1 . . . A 56 TYR CA . 19766 1 663 . 1 1 56 56 TYR CB C 13 42.347 0.040 . 1 . . . A 56 TYR CB . 19766 1 664 . 1 1 56 56 TYR CD1 C 13 133.291 0.135 . 3 . . . A 56 TYR CD1 . 19766 1 665 . 1 1 56 56 TYR CD2 C 13 133.291 0.135 . 3 . . . A 56 TYR CD2 . 19766 1 666 . 1 1 56 56 TYR CE1 C 13 117.735 0.043 . 3 . . . A 56 TYR CE1 . 19766 1 667 . 1 1 56 56 TYR CE2 C 13 117.735 0.043 . 3 . . . A 56 TYR CE2 . 19766 1 668 . 1 1 56 56 TYR N N 15 115.022 0.072 . 1 . . . A 56 TYR N . 19766 1 669 . 1 1 57 57 LEU H H 1 8.648 0.002 . 1 . . . A 57 LEU H . 19766 1 670 . 1 1 57 57 LEU HA H 1 4.759 0.020 . 1 . . . A 57 LEU HA . 19766 1 671 . 1 1 57 57 LEU HB2 H 1 0.876 0.005 . 2 . . . A 57 LEU HB2 . 19766 1 672 . 1 1 57 57 LEU HB3 H 1 1.068 0.006 . 2 . . . A 57 LEU HB3 . 19766 1 673 . 1 1 57 57 LEU HG H 1 1.502 0.005 . 1 . . . A 57 LEU HG . 19766 1 674 . 1 1 57 57 LEU HD11 H 1 0.340 0.002 . 2 . . . A 57 LEU HD11 . 19766 1 675 . 1 1 57 57 LEU HD12 H 1 0.340 0.002 . 2 . . . A 57 LEU HD12 . 19766 1 676 . 1 1 57 57 LEU HD13 H 1 0.340 0.002 . 2 . . . A 57 LEU HD13 . 19766 1 677 . 1 1 57 57 LEU HD21 H 1 -0.308 0.001 . 2 . . . A 57 LEU HD21 . 19766 1 678 . 1 1 57 57 LEU HD22 H 1 -0.308 0.001 . 2 . . . A 57 LEU HD22 . 19766 1 679 . 1 1 57 57 LEU HD23 H 1 -0.308 0.001 . 2 . . . A 57 LEU HD23 . 19766 1 680 . 1 1 57 57 LEU C C 13 172.173 0.000 . 1 . . . A 57 LEU C . 19766 1 681 . 1 1 57 57 LEU CA C 13 54.816 0.300 . 1 . . . A 57 LEU CA . 19766 1 682 . 1 1 57 57 LEU CB C 13 46.906 0.019 . 1 . . . A 57 LEU CB . 19766 1 683 . 1 1 57 57 LEU CG C 13 26.219 0.062 . 1 . . . A 57 LEU CG . 19766 1 684 . 1 1 57 57 LEU CD1 C 13 26.912 0.026 . 2 . . . A 57 LEU CD1 . 19766 1 685 . 1 1 57 57 LEU CD2 C 13 24.633 0.018 . 2 . . . A 57 LEU CD2 . 19766 1 686 . 1 1 57 57 LEU N N 15 122.695 0.046 . 1 . . . A 57 LEU N . 19766 1 687 . 1 1 58 58 LYS H H 1 7.948 0.004 . 1 . . . A 58 LYS H . 19766 1 688 . 1 1 58 58 LYS HA H 1 4.465 0.003 . 1 . . . A 58 LYS HA . 19766 1 689 . 1 1 58 58 LYS HB2 H 1 0.047 0.004 . 2 . . . A 58 LYS HB2 . 19766 1 690 . 1 1 58 58 LYS HB3 H 1 0.831 0.014 . 2 . . . A 58 LYS HB3 . 19766 1 691 . 1 1 58 58 LYS HG2 H 1 0.956 0.003 . 2 . . . A 58 LYS HG2 . 19766 1 692 . 1 1 58 58 LYS HG3 H 1 1.105 0.003 . 2 . . . A 58 LYS HG3 . 19766 1 693 . 1 1 58 58 LYS HD2 H 1 1.274 0.004 . 2 . . . A 58 LYS HD2 . 19766 1 694 . 1 1 58 58 LYS HD3 H 1 1.071 0.004 . 2 . . . A 58 LYS HD3 . 19766 1 695 . 1 1 58 58 LYS HE2 H 1 2.742 0.002 . 2 . . . A 58 LYS HE2 . 19766 1 696 . 1 1 58 58 LYS HE3 H 1 2.742 0.002 . 2 . . . A 58 LYS HE3 . 19766 1 697 . 1 1 58 58 LYS C C 13 174.900 0.000 . 1 . . . A 58 LYS C . 19766 1 698 . 1 1 58 58 LYS CA C 13 54.623 0.063 . 1 . . . A 58 LYS CA . 19766 1 699 . 1 1 58 58 LYS CB C 13 36.546 0.036 . 1 . . . A 58 LYS CB . 19766 1 700 . 1 1 58 58 LYS CG C 13 24.600 0.041 . 1 . . . A 58 LYS CG . 19766 1 701 . 1 1 58 58 LYS CD C 13 29.436 0.300 . 1 . . . A 58 LYS CD . 19766 1 702 . 1 1 58 58 LYS CE C 13 42.220 0.035 . 1 . . . A 58 LYS CE . 19766 1 703 . 1 1 58 58 LYS N N 15 125.954 0.047 . 1 . . . A 58 LYS N . 19766 1 704 . 1 1 59 59 TYR H H 1 9.007 0.007 . 1 . . . A 59 TYR H . 19766 1 705 . 1 1 59 59 TYR HA H 1 5.100 0.005 . 1 . . . A 59 TYR HA . 19766 1 706 . 1 1 59 59 TYR HB2 H 1 2.519 0.004 . 2 . . . A 59 TYR HB2 . 19766 1 707 . 1 1 59 59 TYR HB3 H 1 3.203 0.002 . 2 . . . A 59 TYR HB3 . 19766 1 708 . 1 1 59 59 TYR HD1 H 1 6.707 0.005 . 3 . . . A 59 TYR HD1 . 19766 1 709 . 1 1 59 59 TYR HD2 H 1 6.707 0.005 . 3 . . . A 59 TYR HD2 . 19766 1 710 . 1 1 59 59 TYR CA C 13 57.974 0.062 . 1 . . . A 59 TYR CA . 19766 1 711 . 1 1 59 59 TYR CB C 13 42.498 0.044 . 1 . . . A 59 TYR CB . 19766 1 712 . 1 1 59 59 TYR N N 15 126.396 0.028 . 1 . . . A 59 TYR N . 19766 1 713 . 1 1 60 60 GLU H H 1 8.973 0.004 . 1 . . . A 60 GLU H . 19766 1 714 . 1 1 60 60 GLU HA H 1 3.873 0.003 . 1 . . . A 60 GLU HA . 19766 1 715 . 1 1 60 60 GLU HB2 H 1 2.050 0.006 . 2 . . . A 60 GLU HB2 . 19766 1 716 . 1 1 60 60 GLU HB3 H 1 2.109 0.007 . 2 . . . A 60 GLU HB3 . 19766 1 717 . 1 1 60 60 GLU HG2 H 1 2.214 0.006 . 2 . . . A 60 GLU HG2 . 19766 1 718 . 1 1 60 60 GLU HG3 H 1 2.214 0.006 . 2 . . . A 60 GLU HG3 . 19766 1 719 . 1 1 60 60 GLU C C 13 175.081 0.000 . 1 . . . A 60 GLU C . 19766 1 720 . 1 1 60 60 GLU CA C 13 59.053 0.020 . 1 . . . A 60 GLU CA . 19766 1 721 . 1 1 60 60 GLU CB C 13 30.867 0.046 . 1 . . . A 60 GLU CB . 19766 1 722 . 1 1 60 60 GLU CG C 13 36.225 0.054 . 1 . . . A 60 GLU CG . 19766 1 723 . 1 1 60 60 GLU N N 15 120.848 0.049 . 1 . . . A 60 GLU N . 19766 1 724 . 1 1 61 61 ASP H H 1 8.017 0.013 . 1 . . . A 61 ASP H . 19766 1 725 . 1 1 61 61 ASP HA H 1 4.866 0.003 . 1 . . . A 61 ASP HA . 19766 1 726 . 1 1 61 61 ASP HB2 H 1 2.438 0.005 . 2 . . . A 61 ASP HB2 . 19766 1 727 . 1 1 61 61 ASP HB3 H 1 3.011 0.011 . 2 . . . A 61 ASP HB3 . 19766 1 728 . 1 1 61 61 ASP C C 13 176.598 0.000 . 1 . . . A 61 ASP C . 19766 1 729 . 1 1 61 61 ASP CA C 13 51.112 0.300 . 1 . . . A 61 ASP CA . 19766 1 730 . 1 1 61 61 ASP CB C 13 43.424 0.044 . 1 . . . A 61 ASP CB . 19766 1 731 . 1 1 61 61 ASP N N 15 117.604 0.090 . 1 . . . A 61 ASP N . 19766 1 732 . 1 1 62 62 GLN H H 1 9.007 0.010 . 1 . . . A 62 GLN H . 19766 1 733 . 1 1 62 62 GLN HA H 1 4.270 0.004 . 1 . . . A 62 GLN HA . 19766 1 734 . 1 1 62 62 GLN HB2 H 1 2.196 0.001 . 2 . . . A 62 GLN HB2 . 19766 1 735 . 1 1 62 62 GLN HB3 H 1 2.117 0.004 . 2 . . . A 62 GLN HB3 . 19766 1 736 . 1 1 62 62 GLN HG2 H 1 2.509 0.004 . 2 . . . A 62 GLN HG2 . 19766 1 737 . 1 1 62 62 GLN HG3 H 1 2.454 0.003 . 2 . . . A 62 GLN HG3 . 19766 1 738 . 1 1 62 62 GLN HE21 H 1 7.461 0.002 . 2 . . . A 62 GLN HE21 . 19766 1 739 . 1 1 62 62 GLN HE22 H 1 6.723 0.002 . 2 . . . A 62 GLN HE22 . 19766 1 740 . 1 1 62 62 GLN C C 13 178.514 0.000 . 1 . . . A 62 GLN C . 19766 1 741 . 1 1 62 62 GLN CA C 13 58.505 0.055 . 1 . . . A 62 GLN CA . 19766 1 742 . 1 1 62 62 GLN CB C 13 27.973 0.034 . 1 . . . A 62 GLN CB . 19766 1 743 . 1 1 62 62 GLN CG C 13 33.367 0.057 . 1 . . . A 62 GLN CG . 19766 1 744 . 1 1 62 62 GLN N N 15 126.427 0.047 . 1 . . . A 62 GLN N . 19766 1 745 . 1 1 62 62 GLN NE2 N 15 111.047 0.083 . 1 . . . A 62 GLN NE2 . 19766 1 746 . 1 1 63 63 ARG H H 1 9.013 0.006 . 1 . . . A 63 ARG H . 19766 1 747 . 1 1 63 63 ARG HA H 1 3.720 0.007 . 1 . . . A 63 ARG HA . 19766 1 748 . 1 1 63 63 ARG C C 13 178.566 0.000 . 1 . . . A 63 ARG C . 19766 1 749 . 1 1 63 63 ARG CA C 13 59.082 0.037 . 1 . . . A 63 ARG CA . 19766 1 750 . 1 1 63 63 ARG N N 15 121.369 0.030 . 1 . . . A 63 ARG N . 19766 1 751 . 1 1 64 64 SER H H 1 8.207 0.003 . 1 . . . A 64 SER H . 19766 1 752 . 1 1 64 64 SER HA H 1 3.746 0.006 . 1 . . . A 64 SER HA . 19766 1 753 . 1 1 64 64 SER HB2 H 1 3.233 0.020 . 2 . . . A 64 SER HB2 . 19766 1 754 . 1 1 64 64 SER HB3 H 1 3.233 0.020 . 2 . . . A 64 SER HB3 . 19766 1 755 . 1 1 64 64 SER HG H 1 5.788 0.002 . 1 . . . A 64 SER HG . 19766 1 756 . 1 1 64 64 SER C C 13 175.695 0.000 . 1 . . . A 64 SER C . 19766 1 757 . 1 1 64 64 SER CA C 13 63.651 0.046 . 1 . . . A 64 SER CA . 19766 1 758 . 1 1 64 64 SER N N 15 115.216 0.032 . 1 . . . A 64 SER N . 19766 1 759 . 1 1 65 65 THR H H 1 7.640 0.005 . 1 . . . A 65 THR H . 19766 1 760 . 1 1 65 65 THR HA H 1 3.785 0.003 . 1 . . . A 65 THR HA . 19766 1 761 . 1 1 65 65 THR HB H 1 4.171 0.003 . 1 . . . A 65 THR HB . 19766 1 762 . 1 1 65 65 THR HG21 H 1 1.556 0.002 . 1 . . . A 65 THR HG21 . 19766 1 763 . 1 1 65 65 THR HG22 H 1 1.556 0.002 . 1 . . . A 65 THR HG22 . 19766 1 764 . 1 1 65 65 THR HG23 H 1 1.556 0.002 . 1 . . . A 65 THR HG23 . 19766 1 765 . 1 1 65 65 THR C C 13 175.556 0.000 . 1 . . . A 65 THR C . 19766 1 766 . 1 1 65 65 THR CA C 13 66.178 0.052 . 1 . . . A 65 THR CA . 19766 1 767 . 1 1 65 65 THR CB C 13 68.414 0.038 . 1 . . . A 65 THR CB . 19766 1 768 . 1 1 65 65 THR CG2 C 13 23.532 0.048 . 1 . . . A 65 THR CG2 . 19766 1 769 . 1 1 65 65 THR N N 15 111.402 0.068 . 1 . . . A 65 THR N . 19766 1 770 . 1 1 66 66 ILE H H 1 6.702 0.003 . 1 . . . A 66 ILE H . 19766 1 771 . 1 1 66 66 ILE HA H 1 3.702 0.004 . 1 . . . A 66 ILE HA . 19766 1 772 . 1 1 66 66 ILE HB H 1 2.211 0.009 . 1 . . . A 66 ILE HB . 19766 1 773 . 1 1 66 66 ILE HG12 H 1 1.236 0.005 . 2 . . . A 66 ILE HG12 . 19766 1 774 . 1 1 66 66 ILE HG13 H 1 1.671 0.005 . 2 . . . A 66 ILE HG13 . 19766 1 775 . 1 1 66 66 ILE HG21 H 1 1.030 0.002 . 1 . . . A 66 ILE HG21 . 19766 1 776 . 1 1 66 66 ILE HG22 H 1 1.030 0.002 . 1 . . . A 66 ILE HG22 . 19766 1 777 . 1 1 66 66 ILE HG23 H 1 1.030 0.002 . 1 . . . A 66 ILE HG23 . 19766 1 778 . 1 1 66 66 ILE HD11 H 1 0.942 0.004 . 1 . . . A 66 ILE HD11 . 19766 1 779 . 1 1 66 66 ILE HD12 H 1 0.942 0.004 . 1 . . . A 66 ILE HD12 . 19766 1 780 . 1 1 66 66 ILE HD13 H 1 0.942 0.004 . 1 . . . A 66 ILE HD13 . 19766 1 781 . 1 1 66 66 ILE C C 13 177.292 0.000 . 1 . . . A 66 ILE C . 19766 1 782 . 1 1 66 66 ILE CA C 13 64.254 0.034 . 1 . . . A 66 ILE CA . 19766 1 783 . 1 1 66 66 ILE CB C 13 38.399 0.016 . 1 . . . A 66 ILE CB . 19766 1 784 . 1 1 66 66 ILE CG1 C 13 28.607 0.042 . 1 . . . A 66 ILE CG1 . 19766 1 785 . 1 1 66 66 ILE CG2 C 13 17.182 0.070 . 1 . . . A 66 ILE CG2 . 19766 1 786 . 1 1 66 66 ILE CD1 C 13 13.550 0.052 . 1 . . . A 66 ILE CD1 . 19766 1 787 . 1 1 66 66 ILE N N 15 122.905 0.020 . 1 . . . A 66 ILE N . 19766 1 788 . 1 1 67 67 LEU H H 1 6.975 0.002 . 1 . . . A 67 LEU H . 19766 1 789 . 1 1 67 67 LEU HA H 1 3.730 0.003 . 1 . . . A 67 LEU HA . 19766 1 790 . 1 1 67 67 LEU HB2 H 1 1.227 0.001 . 2 . . . A 67 LEU HB2 . 19766 1 791 . 1 1 67 67 LEU HB3 H 1 2.183 0.002 . 2 . . . A 67 LEU HB3 . 19766 1 792 . 1 1 67 67 LEU HD11 H 1 1.135 0.006 . 2 . . . A 67 LEU HD11 . 19766 1 793 . 1 1 67 67 LEU HD12 H 1 1.135 0.006 . 2 . . . A 67 LEU HD12 . 19766 1 794 . 1 1 67 67 LEU HD13 H 1 1.135 0.006 . 2 . . . A 67 LEU HD13 . 19766 1 795 . 1 1 67 67 LEU HD21 H 1 0.938 0.005 . 2 . . . A 67 LEU HD21 . 19766 1 796 . 1 1 67 67 LEU HD22 H 1 0.938 0.005 . 2 . . . A 67 LEU HD22 . 19766 1 797 . 1 1 67 67 LEU HD23 H 1 0.938 0.005 . 2 . . . A 67 LEU HD23 . 19766 1 798 . 1 1 67 67 LEU C C 13 179.641 0.000 . 1 . . . A 67 LEU C . 19766 1 799 . 1 1 67 67 LEU CA C 13 57.587 0.033 . 1 . . . A 67 LEU CA . 19766 1 800 . 1 1 67 67 LEU CB C 13 41.682 0.029 . 1 . . . A 67 LEU CB . 19766 1 801 . 1 1 67 67 LEU CD1 C 13 26.328 0.068 . 2 . . . A 67 LEU CD1 . 19766 1 802 . 1 1 67 67 LEU CD2 C 13 24.159 0.073 . 2 . . . A 67 LEU CD2 . 19766 1 803 . 1 1 67 67 LEU N N 15 114.425 0.057 . 1 . . . A 67 LEU N . 19766 1 804 . 1 1 68 68 ALA H H 1 8.225 0.003 . 1 . . . A 68 ALA H . 19766 1 805 . 1 1 68 68 ALA HA H 1 3.435 0.003 . 1 . . . A 68 ALA HA . 19766 1 806 . 1 1 68 68 ALA HB1 H 1 1.739 0.003 . 1 . . . A 68 ALA HB1 . 19766 1 807 . 1 1 68 68 ALA HB2 H 1 1.739 0.003 . 1 . . . A 68 ALA HB2 . 19766 1 808 . 1 1 68 68 ALA HB3 H 1 1.739 0.003 . 1 . . . A 68 ALA HB3 . 19766 1 809 . 1 1 68 68 ALA C C 13 179.087 0.000 . 1 . . . A 68 ALA C . 19766 1 810 . 1 1 68 68 ALA CA C 13 55.736 0.037 . 1 . . . A 68 ALA CA . 19766 1 811 . 1 1 68 68 ALA CB C 13 19.013 0.026 . 1 . . . A 68 ALA CB . 19766 1 812 . 1 1 68 68 ALA N N 15 120.639 0.019 . 1 . . . A 68 ALA N . 19766 1 813 . 1 1 69 69 VAL H H 1 8.162 0.020 . 1 . . . A 69 VAL H . 19766 1 814 . 1 1 69 69 VAL HA H 1 3.239 0.003 . 1 . . . A 69 VAL HA . 19766 1 815 . 1 1 69 69 VAL HB H 1 2.009 0.004 . 1 . . . A 69 VAL HB . 19766 1 816 . 1 1 69 69 VAL HG11 H 1 0.507 0.004 . 2 . . . A 69 VAL HG11 . 19766 1 817 . 1 1 69 69 VAL HG12 H 1 0.507 0.004 . 2 . . . A 69 VAL HG12 . 19766 1 818 . 1 1 69 69 VAL HG13 H 1 0.507 0.004 . 2 . . . A 69 VAL HG13 . 19766 1 819 . 1 1 69 69 VAL HG21 H 1 0.877 0.002 . 2 . . . A 69 VAL HG21 . 19766 1 820 . 1 1 69 69 VAL HG22 H 1 0.877 0.002 . 2 . . . A 69 VAL HG22 . 19766 1 821 . 1 1 69 69 VAL HG23 H 1 0.877 0.002 . 2 . . . A 69 VAL HG23 . 19766 1 822 . 1 1 69 69 VAL C C 13 178.798 0.000 . 1 . . . A 69 VAL C . 19766 1 823 . 1 1 69 69 VAL CA C 13 67.025 0.013 . 1 . . . A 69 VAL CA . 19766 1 824 . 1 1 69 69 VAL CB C 13 31.837 0.048 . 1 . . . A 69 VAL CB . 19766 1 825 . 1 1 69 69 VAL CG1 C 13 22.915 0.023 . 2 . . . A 69 VAL CG1 . 19766 1 826 . 1 1 69 69 VAL CG2 C 13 21.301 0.022 . 2 . . . A 69 VAL CG2 . 19766 1 827 . 1 1 69 69 VAL N N 15 118.866 0.300 . 1 . . . A 69 VAL N . 19766 1 828 . 1 1 70 70 ASP H H 1 8.262 0.005 . 1 . . . A 70 ASP H . 19766 1 829 . 1 1 70 70 ASP HA H 1 4.054 0.004 . 1 . . . A 70 ASP HA . 19766 1 830 . 1 1 70 70 ASP HB2 H 1 2.127 0.007 . 2 . . . A 70 ASP HB2 . 19766 1 831 . 1 1 70 70 ASP HB3 H 1 1.363 0.020 . 2 . . . A 70 ASP HB3 . 19766 1 832 . 1 1 70 70 ASP C C 13 178.297 0.000 . 1 . . . A 70 ASP C . 19766 1 833 . 1 1 70 70 ASP CA C 13 57.269 0.042 . 1 . . . A 70 ASP CA . 19766 1 834 . 1 1 70 70 ASP CB C 13 39.622 0.047 . 1 . . . A 70 ASP CB . 19766 1 835 . 1 1 70 70 ASP N N 15 117.230 0.062 . 1 . . . A 70 ASP N . 19766 1 836 . 1 1 71 71 ASN H H 1 7.541 0.003 . 1 . . . A 71 ASN H . 19766 1 837 . 1 1 71 71 ASN HA H 1 4.863 0.020 . 1 . . . A 71 ASN HA . 19766 1 838 . 1 1 71 71 ASN HB2 H 1 2.194 0.007 . 2 . . . A 71 ASN HB2 . 19766 1 839 . 1 1 71 71 ASN HB3 H 1 2.456 0.001 . 2 . . . A 71 ASN HB3 . 19766 1 840 . 1 1 71 71 ASN C C 13 176.614 0.000 . 1 . . . A 71 ASN C . 19766 1 841 . 1 1 71 71 ASN CA C 13 55.601 0.300 . 1 . . . A 71 ASN CA . 19766 1 842 . 1 1 71 71 ASN CB C 13 41.600 0.069 . 1 . . . A 71 ASN CB . 19766 1 843 . 1 1 71 71 ASN N N 15 111.214 0.035 . 1 . . . A 71 ASN N . 19766 1 844 . 1 1 72 72 LEU H H 1 8.323 0.004 . 1 . . . A 72 LEU H . 19766 1 845 . 1 1 72 72 LEU HA H 1 4.649 0.020 . 1 . . . A 72 LEU HA . 19766 1 846 . 1 1 72 72 LEU HB2 H 1 1.247 0.007 . 2 . . . A 72 LEU HB2 . 19766 1 847 . 1 1 72 72 LEU HB3 H 1 1.871 0.004 . 2 . . . A 72 LEU HB3 . 19766 1 848 . 1 1 72 72 LEU HG H 1 1.027 0.001 . 1 . . . A 72 LEU HG . 19766 1 849 . 1 1 72 72 LEU HD11 H 1 0.042 0.003 . 2 . . . A 72 LEU HD11 . 19766 1 850 . 1 1 72 72 LEU HD12 H 1 0.042 0.003 . 2 . . . A 72 LEU HD12 . 19766 1 851 . 1 1 72 72 LEU HD13 H 1 0.042 0.003 . 2 . . . A 72 LEU HD13 . 19766 1 852 . 1 1 72 72 LEU HD21 H 1 0.165 0.007 . 2 . . . A 72 LEU HD21 . 19766 1 853 . 1 1 72 72 LEU HD22 H 1 0.165 0.007 . 2 . . . A 72 LEU HD22 . 19766 1 854 . 1 1 72 72 LEU HD23 H 1 0.165 0.007 . 2 . . . A 72 LEU HD23 . 19766 1 855 . 1 1 72 72 LEU C C 13 177.465 0.000 . 1 . . . A 72 LEU C . 19766 1 856 . 1 1 72 72 LEU CA C 13 54.351 0.300 . 1 . . . A 72 LEU CA . 19766 1 857 . 1 1 72 72 LEU CB C 13 42.548 0.026 . 1 . . . A 72 LEU CB . 19766 1 858 . 1 1 72 72 LEU CG C 13 27.109 0.035 . 1 . . . A 72 LEU CG . 19766 1 859 . 1 1 72 72 LEU CD1 C 13 26.504 0.020 . 2 . . . A 72 LEU CD1 . 19766 1 860 . 1 1 72 72 LEU CD2 C 13 23.176 0.041 . 2 . . . A 72 LEU CD2 . 19766 1 861 . 1 1 72 72 LEU N N 15 116.127 0.060 . 1 . . . A 72 LEU N . 19766 1 862 . 1 1 73 73 ASN H H 1 6.965 0.004 . 1 . . . A 73 ASN H . 19766 1 863 . 1 1 73 73 ASN HA H 1 4.411 0.002 . 1 . . . A 73 ASN HA . 19766 1 864 . 1 1 73 73 ASN HB2 H 1 2.896 0.011 . 2 . . . A 73 ASN HB2 . 19766 1 865 . 1 1 73 73 ASN HB3 H 1 2.973 0.011 . 2 . . . A 73 ASN HB3 . 19766 1 866 . 1 1 73 73 ASN HD21 H 1 8.147 0.020 . 2 . . . A 73 ASN HD21 . 19766 1 867 . 1 1 73 73 ASN HD22 H 1 7.394 0.020 . 2 . . . A 73 ASN HD22 . 19766 1 868 . 1 1 73 73 ASN C C 13 177.085 0.000 . 1 . . . A 73 ASN C . 19766 1 869 . 1 1 73 73 ASN CA C 13 56.554 0.073 . 1 . . . A 73 ASN CA . 19766 1 870 . 1 1 73 73 ASN CB C 13 39.458 0.024 . 1 . . . A 73 ASN CB . 19766 1 871 . 1 1 73 73 ASN CG C 13 176.907 0.300 . 1 . . . A 73 ASN CG . 19766 1 872 . 1 1 73 73 ASN N N 15 118.792 0.053 . 1 . . . A 73 ASN N . 19766 1 873 . 1 1 73 73 ASN ND2 N 15 116.165 0.009 . 1 . . . A 73 ASN ND2 . 19766 1 874 . 1 1 74 74 GLY H H 1 9.389 0.012 . 1 . . . A 74 GLY H . 19766 1 875 . 1 1 74 74 GLY HA2 H 1 4.408 0.006 . 2 . . . A 74 GLY HA2 . 19766 1 876 . 1 1 74 74 GLY HA3 H 1 3.635 0.004 . 2 . . . A 74 GLY HA3 . 19766 1 877 . 1 1 74 74 GLY C C 13 172.848 0.000 . 1 . . . A 74 GLY C . 19766 1 878 . 1 1 74 74 GLY CA C 13 45.758 0.010 . 1 . . . A 74 GLY CA . 19766 1 879 . 1 1 74 74 GLY N N 15 115.779 0.045 . 1 . . . A 74 GLY N . 19766 1 880 . 1 1 75 75 PHE H H 1 8.133 0.004 . 1 . . . A 75 PHE H . 19766 1 881 . 1 1 75 75 PHE HA H 1 4.287 0.003 . 1 . . . A 75 PHE HA . 19766 1 882 . 1 1 75 75 PHE HB2 H 1 3.195 0.007 . 2 . . . A 75 PHE HB2 . 19766 1 883 . 1 1 75 75 PHE HB3 H 1 2.690 0.005 . 2 . . . A 75 PHE HB3 . 19766 1 884 . 1 1 75 75 PHE HD1 H 1 6.835 0.005 . 3 . . . A 75 PHE HD1 . 19766 1 885 . 1 1 75 75 PHE HD2 H 1 6.835 0.005 . 3 . . . A 75 PHE HD2 . 19766 1 886 . 1 1 75 75 PHE HE1 H 1 7.315 0.015 . 3 . . . A 75 PHE HE1 . 19766 1 887 . 1 1 75 75 PHE HE2 H 1 7.315 0.015 . 3 . . . A 75 PHE HE2 . 19766 1 888 . 1 1 75 75 PHE HZ H 1 7.420 0.008 . 1 . . . A 75 PHE HZ . 19766 1 889 . 1 1 75 75 PHE C C 13 174.778 0.000 . 1 . . . A 75 PHE C . 19766 1 890 . 1 1 75 75 PHE CA C 13 58.873 0.099 . 1 . . . A 75 PHE CA . 19766 1 891 . 1 1 75 75 PHE CB C 13 41.602 0.076 . 1 . . . A 75 PHE CB . 19766 1 892 . 1 1 75 75 PHE CD1 C 13 131.732 0.088 . 3 . . . A 75 PHE CD1 . 19766 1 893 . 1 1 75 75 PHE CD2 C 13 131.732 0.088 . 3 . . . A 75 PHE CD2 . 19766 1 894 . 1 1 75 75 PHE CE1 C 13 131.710 0.095 . 3 . . . A 75 PHE CE1 . 19766 1 895 . 1 1 75 75 PHE CE2 C 13 131.710 0.095 . 3 . . . A 75 PHE CE2 . 19766 1 896 . 1 1 75 75 PHE CZ C 13 129.742 0.121 . 1 . . . A 75 PHE CZ . 19766 1 897 . 1 1 75 75 PHE N N 15 123.194 0.032 . 1 . . . A 75 PHE N . 19766 1 898 . 1 1 76 76 LYS H H 1 7.596 0.003 . 1 . . . A 76 LYS H . 19766 1 899 . 1 1 76 76 LYS HA H 1 4.671 0.020 . 1 . . . A 76 LYS HA . 19766 1 900 . 1 1 76 76 LYS HB2 H 1 1.430 0.005 . 2 . . . A 76 LYS HB2 . 19766 1 901 . 1 1 76 76 LYS HB3 H 1 1.196 0.006 . 2 . . . A 76 LYS HB3 . 19766 1 902 . 1 1 76 76 LYS HG2 H 1 1.299 0.003 . 2 . . . A 76 LYS HG2 . 19766 1 903 . 1 1 76 76 LYS HG3 H 1 0.844 0.004 . 2 . . . A 76 LYS HG3 . 19766 1 904 . 1 1 76 76 LYS HD2 H 1 1.535 0.002 . 2 . . . A 76 LYS HD2 . 19766 1 905 . 1 1 76 76 LYS HD3 H 1 1.480 0.005 . 2 . . . A 76 LYS HD3 . 19766 1 906 . 1 1 76 76 LYS HE3 H 1 2.850 0.002 . 2 . . . A 76 LYS HE3 . 19766 1 907 . 1 1 76 76 LYS C C 13 175.286 0.000 . 1 . . . A 76 LYS C . 19766 1 908 . 1 1 76 76 LYS CA C 13 56.252 0.300 . 1 . . . A 76 LYS CA . 19766 1 909 . 1 1 76 76 LYS CB C 13 33.201 0.027 . 1 . . . A 76 LYS CB . 19766 1 910 . 1 1 76 76 LYS CG C 13 25.590 0.061 . 1 . . . A 76 LYS CG . 19766 1 911 . 1 1 76 76 LYS CD C 13 29.436 0.300 . 1 . . . A 76 LYS CD . 19766 1 912 . 1 1 76 76 LYS CE C 13 41.827 0.024 . 1 . . . A 76 LYS CE . 19766 1 913 . 1 1 76 76 LYS N N 15 127.364 0.032 . 1 . . . A 76 LYS N . 19766 1 914 . 1 1 77 77 ILE H H 1 8.004 0.003 . 1 . . . A 77 ILE H . 19766 1 915 . 1 1 77 77 ILE HA H 1 4.358 0.005 . 1 . . . A 77 ILE HA . 19766 1 916 . 1 1 77 77 ILE HB H 1 1.816 0.003 . 1 . . . A 77 ILE HB . 19766 1 917 . 1 1 77 77 ILE HG12 H 1 1.792 0.004 . 2 . . . A 77 ILE HG12 . 19766 1 918 . 1 1 77 77 ILE HG13 H 1 1.286 0.005 . 2 . . . A 77 ILE HG13 . 19766 1 919 . 1 1 77 77 ILE HG21 H 1 0.921 0.009 . 1 . . . A 77 ILE HG21 . 19766 1 920 . 1 1 77 77 ILE HG22 H 1 0.921 0.009 . 1 . . . A 77 ILE HG22 . 19766 1 921 . 1 1 77 77 ILE HG23 H 1 0.921 0.009 . 1 . . . A 77 ILE HG23 . 19766 1 922 . 1 1 77 77 ILE HD11 H 1 1.000 0.002 . 1 . . . A 77 ILE HD11 . 19766 1 923 . 1 1 77 77 ILE HD12 H 1 1.000 0.002 . 1 . . . A 77 ILE HD12 . 19766 1 924 . 1 1 77 77 ILE HD13 H 1 1.000 0.002 . 1 . . . A 77 ILE HD13 . 19766 1 925 . 1 1 77 77 ILE C C 13 177.519 0.000 . 1 . . . A 77 ILE C . 19766 1 926 . 1 1 77 77 ILE CA C 13 60.503 0.011 . 1 . . . A 77 ILE CA . 19766 1 927 . 1 1 77 77 ILE CB C 13 40.636 0.041 . 1 . . . A 77 ILE CB . 19766 1 928 . 1 1 77 77 ILE CG1 C 13 27.098 0.026 . 1 . . . A 77 ILE CG1 . 19766 1 929 . 1 1 77 77 ILE CG2 C 13 17.821 0.070 . 1 . . . A 77 ILE CG2 . 19766 1 930 . 1 1 77 77 ILE CD1 C 13 14.394 0.059 . 1 . . . A 77 ILE CD1 . 19766 1 931 . 1 1 77 77 ILE N N 15 120.094 0.035 . 1 . . . A 77 ILE N . 19766 1 932 . 1 1 78 78 GLY H H 1 10.183 0.020 . 1 . . . A 78 GLY H . 19766 1 933 . 1 1 78 78 GLY HA2 H 1 3.622 0.004 . 2 . . . A 78 GLY HA2 . 19766 1 934 . 1 1 78 78 GLY HA3 H 1 4.012 0.004 . 2 . . . A 78 GLY HA3 . 19766 1 935 . 1 1 78 78 GLY C C 13 175.944 0.000 . 1 . . . A 78 GLY C . 19766 1 936 . 1 1 78 78 GLY CA C 13 47.219 0.050 . 1 . . . A 78 GLY CA . 19766 1 937 . 1 1 78 78 GLY N N 15 119.932 0.300 . 1 . . . A 78 GLY N . 19766 1 938 . 1 1 79 79 GLY H H 1 8.892 0.020 . 1 . . . A 79 GLY H . 19766 1 939 . 1 1 79 79 GLY HA2 H 1 4.179 0.004 . 2 . . . A 79 GLY HA2 . 19766 1 940 . 1 1 79 79 GLY HA3 H 1 3.583 0.007 . 2 . . . A 79 GLY HA3 . 19766 1 941 . 1 1 79 79 GLY C C 13 173.347 0.000 . 1 . . . A 79 GLY C . 19766 1 942 . 1 1 79 79 GLY CA C 13 45.092 0.025 . 1 . . . A 79 GLY CA . 19766 1 943 . 1 1 79 79 GLY N N 15 104.505 0.300 . 1 . . . A 79 GLY N . 19766 1 944 . 1 1 80 80 ARG H H 1 7.281 0.002 . 1 . . . A 80 ARG H . 19766 1 945 . 1 1 80 80 ARG HA H 1 4.666 0.020 . 1 . . . A 80 ARG HA . 19766 1 946 . 1 1 80 80 ARG HB2 H 1 1.808 0.004 . 2 . . . A 80 ARG HB2 . 19766 1 947 . 1 1 80 80 ARG HB3 H 1 2.040 0.005 . 2 . . . A 80 ARG HB3 . 19766 1 948 . 1 1 80 80 ARG HG2 H 1 1.558 0.003 . 2 . . . A 80 ARG HG2 . 19766 1 949 . 1 1 80 80 ARG HG3 H 1 1.558 0.003 . 2 . . . A 80 ARG HG3 . 19766 1 950 . 1 1 80 80 ARG HD2 H 1 2.898 0.003 . 2 . . . A 80 ARG HD2 . 19766 1 951 . 1 1 80 80 ARG HD3 H 1 3.051 0.003 . 2 . . . A 80 ARG HD3 . 19766 1 952 . 1 1 80 80 ARG C C 13 174.693 0.000 . 1 . . . A 80 ARG C . 19766 1 953 . 1 1 80 80 ARG CA C 13 54.678 0.300 . 1 . . . A 80 ARG CA . 19766 1 954 . 1 1 80 80 ARG CB C 13 33.407 0.054 . 1 . . . A 80 ARG CB . 19766 1 955 . 1 1 80 80 ARG CG C 13 27.431 0.067 . 1 . . . A 80 ARG CG . 19766 1 956 . 1 1 80 80 ARG CD C 13 43.081 0.075 . 1 . . . A 80 ARG CD . 19766 1 957 . 1 1 80 80 ARG N N 15 119.144 0.033 . 1 . . . A 80 ARG N . 19766 1 958 . 1 1 81 81 ALA H H 1 8.673 0.003 . 1 . . . A 81 ALA H . 19766 1 959 . 1 1 81 81 ALA HA H 1 4.201 0.003 . 1 . . . A 81 ALA HA . 19766 1 960 . 1 1 81 81 ALA HB1 H 1 1.207 0.002 . 1 . . . A 81 ALA HB1 . 19766 1 961 . 1 1 81 81 ALA HB2 H 1 1.207 0.002 . 1 . . . A 81 ALA HB2 . 19766 1 962 . 1 1 81 81 ALA HB3 H 1 1.207 0.002 . 1 . . . A 81 ALA HB3 . 19766 1 963 . 1 1 81 81 ALA C C 13 176.967 0.000 . 1 . . . A 81 ALA C . 19766 1 964 . 1 1 81 81 ALA CA C 13 51.129 0.023 . 1 . . . A 81 ALA CA . 19766 1 965 . 1 1 81 81 ALA CB C 13 19.200 0.025 . 1 . . . A 81 ALA CB . 19766 1 966 . 1 1 81 81 ALA N N 15 126.229 0.083 . 1 . . . A 81 ALA N . 19766 1 967 . 1 1 82 82 LEU H H 1 8.702 0.005 . 1 . . . A 82 LEU H . 19766 1 968 . 1 1 82 82 LEU HA H 1 4.424 0.006 . 1 . . . A 82 LEU HA . 19766 1 969 . 1 1 82 82 LEU HB2 H 1 1.297 0.005 . 2 . . . A 82 LEU HB2 . 19766 1 970 . 1 1 82 82 LEU HB3 H 1 2.481 0.005 . 2 . . . A 82 LEU HB3 . 19766 1 971 . 1 1 82 82 LEU HG H 1 2.314 0.006 . 1 . . . A 82 LEU HG . 19766 1 972 . 1 1 82 82 LEU HD11 H 1 1.128 0.002 . 2 . . . A 82 LEU HD11 . 19766 1 973 . 1 1 82 82 LEU HD12 H 1 1.128 0.002 . 2 . . . A 82 LEU HD12 . 19766 1 974 . 1 1 82 82 LEU HD13 H 1 1.128 0.002 . 2 . . . A 82 LEU HD13 . 19766 1 975 . 1 1 82 82 LEU HD21 H 1 0.921 0.003 . 2 . . . A 82 LEU HD21 . 19766 1 976 . 1 1 82 82 LEU HD22 H 1 0.921 0.003 . 2 . . . A 82 LEU HD22 . 19766 1 977 . 1 1 82 82 LEU HD23 H 1 0.921 0.003 . 2 . . . A 82 LEU HD23 . 19766 1 978 . 1 1 82 82 LEU C C 13 177.436 0.000 . 1 . . . A 82 LEU C . 19766 1 979 . 1 1 82 82 LEU CA C 13 56.150 0.013 . 1 . . . A 82 LEU CA . 19766 1 980 . 1 1 82 82 LEU CB C 13 43.273 0.061 . 1 . . . A 82 LEU CB . 19766 1 981 . 1 1 82 82 LEU CG C 13 27.011 0.055 . 1 . . . A 82 LEU CG . 19766 1 982 . 1 1 82 82 LEU CD1 C 13 26.270 0.018 . 2 . . . A 82 LEU CD1 . 19766 1 983 . 1 1 82 82 LEU CD2 C 13 23.971 0.032 . 2 . . . A 82 LEU CD2 . 19766 1 984 . 1 1 82 82 LEU N N 15 125.471 0.042 . 1 . . . A 82 LEU N . 19766 1 985 . 1 1 83 83 LYS H H 1 7.853 0.003 . 1 . . . A 83 LYS H . 19766 1 986 . 1 1 83 83 LYS HA H 1 5.005 0.004 . 1 . . . A 83 LYS HA . 19766 1 987 . 1 1 83 83 LYS HB2 H 1 1.769 0.004 . 2 . . . A 83 LYS HB2 . 19766 1 988 . 1 1 83 83 LYS HB3 H 1 1.698 0.007 . 2 . . . A 83 LYS HB3 . 19766 1 989 . 1 1 83 83 LYS HG2 H 1 1.476 0.006 . 2 . . . A 83 LYS HG2 . 19766 1 990 . 1 1 83 83 LYS HG3 H 1 1.476 0.006 . 2 . . . A 83 LYS HG3 . 19766 1 991 . 1 1 83 83 LYS HD2 H 1 1.767 0.006 . 2 . . . A 83 LYS HD2 . 19766 1 992 . 1 1 83 83 LYS HD3 H 1 1.767 0.006 . 2 . . . A 83 LYS HD3 . 19766 1 993 . 1 1 83 83 LYS HE2 H 1 3.013 0.020 . 2 . . . A 83 LYS HE2 . 19766 1 994 . 1 1 83 83 LYS HE3 H 1 3.013 0.020 . 2 . . . A 83 LYS HE3 . 19766 1 995 . 1 1 83 83 LYS C C 13 174.759 0.000 . 1 . . . A 83 LYS C . 19766 1 996 . 1 1 83 83 LYS CA C 13 54.785 0.035 . 1 . . . A 83 LYS CA . 19766 1 997 . 1 1 83 83 LYS CB C 13 34.446 0.036 . 1 . . . A 83 LYS CB . 19766 1 998 . 1 1 83 83 LYS CG C 13 24.836 0.025 . 1 . . . A 83 LYS CG . 19766 1 999 . 1 1 83 83 LYS CD C 13 29.222 0.010 . 1 . . . A 83 LYS CD . 19766 1 1000 . 1 1 83 83 LYS CE C 13 42.336 0.079 . 1 . . . A 83 LYS CE . 19766 1 1001 . 1 1 83 83 LYS N N 15 123.609 0.040 . 1 . . . A 83 LYS N . 19766 1 1002 . 1 1 84 84 ILE H H 1 8.719 0.004 . 1 . . . A 84 ILE H . 19766 1 1003 . 1 1 84 84 ILE HA H 1 5.699 0.006 . 1 . . . A 84 ILE HA . 19766 1 1004 . 1 1 84 84 ILE HB H 1 1.686 0.006 . 1 . . . A 84 ILE HB . 19766 1 1005 . 1 1 84 84 ILE HG12 H 1 1.208 0.005 . 2 . . . A 84 ILE HG12 . 19766 1 1006 . 1 1 84 84 ILE HG13 H 1 1.531 0.002 . 2 . . . A 84 ILE HG13 . 19766 1 1007 . 1 1 84 84 ILE HG21 H 1 0.907 0.003 . 1 . . . A 84 ILE HG21 . 19766 1 1008 . 1 1 84 84 ILE HG22 H 1 0.907 0.003 . 1 . . . A 84 ILE HG22 . 19766 1 1009 . 1 1 84 84 ILE HG23 H 1 0.907 0.003 . 1 . . . A 84 ILE HG23 . 19766 1 1010 . 1 1 84 84 ILE HD11 H 1 1.004 0.002 . 1 . . . A 84 ILE HD11 . 19766 1 1011 . 1 1 84 84 ILE HD12 H 1 1.004 0.002 . 1 . . . A 84 ILE HD12 . 19766 1 1012 . 1 1 84 84 ILE HD13 H 1 1.004 0.002 . 1 . . . A 84 ILE HD13 . 19766 1 1013 . 1 1 84 84 ILE C C 13 174.989 0.000 . 1 . . . A 84 ILE C . 19766 1 1014 . 1 1 84 84 ILE CA C 13 58.419 0.037 . 1 . . . A 84 ILE CA . 19766 1 1015 . 1 1 84 84 ILE CB C 13 40.367 0.045 . 1 . . . A 84 ILE CB . 19766 1 1016 . 1 1 84 84 ILE CG1 C 13 27.656 0.053 . 1 . . . A 84 ILE CG1 . 19766 1 1017 . 1 1 84 84 ILE CG2 C 13 19.704 0.044 . 1 . . . A 84 ILE CG2 . 19766 1 1018 . 1 1 84 84 ILE CD1 C 13 15.002 0.036 . 1 . . . A 84 ILE CD1 . 19766 1 1019 . 1 1 84 84 ILE N N 15 125.547 0.035 . 1 . . . A 84 ILE N . 19766 1 1020 . 1 1 85 85 ASP H H 1 8.826 0.005 . 1 . . . A 85 ASP H . 19766 1 1021 . 1 1 85 85 ASP HA H 1 5.004 0.005 . 1 . . . A 85 ASP HA . 19766 1 1022 . 1 1 85 85 ASP HB2 H 1 2.505 0.005 . 2 . . . A 85 ASP HB2 . 19766 1 1023 . 1 1 85 85 ASP HB3 H 1 2.718 0.004 . 2 . . . A 85 ASP HB3 . 19766 1 1024 . 1 1 85 85 ASP C C 13 175.302 0.000 . 1 . . . A 85 ASP C . 19766 1 1025 . 1 1 85 85 ASP CA C 13 52.481 0.033 . 1 . . . A 85 ASP CA . 19766 1 1026 . 1 1 85 85 ASP CB C 13 45.469 0.040 . 1 . . . A 85 ASP CB . 19766 1 1027 . 1 1 85 85 ASP N N 15 124.650 0.040 . 1 . . . A 85 ASP N . 19766 1 1028 . 1 1 86 86 HIS H H 1 8.909 0.002 . 1 . . . A 86 HIS H . 19766 1 1029 . 1 1 86 86 HIS HA H 1 4.703 0.020 . 1 . . . A 86 HIS HA . 19766 1 1030 . 1 1 86 86 HIS HB2 H 1 3.227 0.005 . 2 . . . A 86 HIS HB2 . 19766 1 1031 . 1 1 86 86 HIS HB3 H 1 2.953 0.005 . 2 . . . A 86 HIS HB3 . 19766 1 1032 . 1 1 86 86 HIS HD2 H 1 7.119 0.006 . 1 . . . A 86 HIS HD2 . 19766 1 1033 . 1 1 86 86 HIS HE1 H 1 7.478 0.003 . 1 . . . A 86 HIS HE1 . 19766 1 1034 . 1 1 86 86 HIS C C 13 175.216 0.000 . 1 . . . A 86 HIS C . 19766 1 1035 . 1 1 86 86 HIS CA C 13 57.944 0.300 . 1 . . . A 86 HIS CA . 19766 1 1036 . 1 1 86 86 HIS CB C 13 31.480 0.053 . 1 . . . A 86 HIS CB . 19766 1 1037 . 1 1 86 86 HIS CD2 C 13 121.358 0.081 . 1 . . . A 86 HIS CD2 . 19766 1 1038 . 1 1 86 86 HIS CE1 C 13 137.844 0.063 . 1 . . . A 86 HIS CE1 . 19766 1 1039 . 1 1 86 86 HIS N N 15 121.936 0.020 . 1 . . . A 86 HIS N . 19766 1 1040 . 1 1 87 87 THR H H 1 8.521 0.003 . 1 . . . A 87 THR H . 19766 1 1041 . 1 1 87 87 THR HA H 1 4.688 0.020 . 1 . . . A 87 THR HA . 19766 1 1042 . 1 1 87 87 THR HB H 1 4.056 0.003 . 1 . . . A 87 THR HB . 19766 1 1043 . 1 1 87 87 THR HG21 H 1 1.179 0.003 . 1 . . . A 87 THR HG21 . 19766 1 1044 . 1 1 87 87 THR HG22 H 1 1.179 0.003 . 1 . . . A 87 THR HG22 . 19766 1 1045 . 1 1 87 87 THR HG23 H 1 1.179 0.003 . 1 . . . A 87 THR HG23 . 19766 1 1046 . 1 1 87 87 THR CA C 13 61.030 0.300 . 1 . . . A 87 THR CA . 19766 1 1047 . 1 1 87 87 THR CB C 13 69.903 0.058 . 1 . . . A 87 THR CB . 19766 1 1048 . 1 1 87 87 THR CG2 C 13 20.455 0.025 . 1 . . . A 87 THR CG2 . 19766 1 1049 . 1 1 87 87 THR N N 15 116.612 0.036 . 1 . . . A 87 THR N . 19766 1 1050 . 1 1 88 88 PHE H H 1 8.145 0.005 . 1 . . . A 88 PHE H . 19766 1 1051 . 1 1 88 88 PHE HA H 1 5.294 0.004 . 1 . . . A 88 PHE HA . 19766 1 1052 . 1 1 88 88 PHE HB2 H 1 2.896 0.002 . 2 . . . A 88 PHE HB2 . 19766 1 1053 . 1 1 88 88 PHE HB3 H 1 3.070 0.004 . 2 . . . A 88 PHE HB3 . 19766 1 1054 . 1 1 88 88 PHE HD1 H 1 7.160 0.003 . 3 . . . A 88 PHE HD1 . 19766 1 1055 . 1 1 88 88 PHE HD2 H 1 7.160 0.003 . 3 . . . A 88 PHE HD2 . 19766 1 1056 . 1 1 88 88 PHE HE1 H 1 7.290 0.005 . 3 . . . A 88 PHE HE1 . 19766 1 1057 . 1 1 88 88 PHE HE2 H 1 7.290 0.005 . 3 . . . A 88 PHE HE2 . 19766 1 1058 . 1 1 88 88 PHE HZ H 1 7.270 0.006 . 1 . . . A 88 PHE HZ . 19766 1 1059 . 1 1 88 88 PHE C C 13 176.452 0.000 . 1 . . . A 88 PHE C . 19766 1 1060 . 1 1 88 88 PHE CA C 13 55.933 0.300 . 1 . . . A 88 PHE CA . 19766 1 1061 . 1 1 88 88 PHE CB C 13 41.113 0.031 . 1 . . . A 88 PHE CB . 19766 1 1062 . 1 1 88 88 PHE CD1 C 13 132.080 0.094 . 3 . . . A 88 PHE CD1 . 19766 1 1063 . 1 1 88 88 PHE CD2 C 13 132.080 0.094 . 3 . . . A 88 PHE CD2 . 19766 1 1064 . 1 1 88 88 PHE CE1 C 13 131.325 0.190 . 3 . . . A 88 PHE CE1 . 19766 1 1065 . 1 1 88 88 PHE CE2 C 13 131.325 0.190 . 3 . . . A 88 PHE CE2 . 19766 1 1066 . 1 1 88 88 PHE CZ C 13 129.939 0.107 . 1 . . . A 88 PHE CZ . 19766 1 1067 . 1 1 88 88 PHE N N 15 123.233 0.038 . 1 . . . A 88 PHE N . 19766 1 1068 . 1 1 89 89 TYR H H 1 8.242 0.020 . 1 . . . A 89 TYR H . 19766 1 1069 . 1 1 89 89 TYR HA H 1 4.074 0.005 . 1 . . . A 89 TYR HA . 19766 1 1070 . 1 1 89 89 TYR HB2 H 1 1.301 0.014 . 2 . . . A 89 TYR HB2 . 19766 1 1071 . 1 1 89 89 TYR HB3 H 1 1.502 0.008 . 2 . . . A 89 TYR HB3 . 19766 1 1072 . 1 1 89 89 TYR HD1 H 1 5.651 0.006 . 3 . . . A 89 TYR HD1 . 19766 1 1073 . 1 1 89 89 TYR HD2 H 1 5.651 0.006 . 3 . . . A 89 TYR HD2 . 19766 1 1074 . 1 1 89 89 TYR HE1 H 1 6.247 0.005 . 3 . . . A 89 TYR HE1 . 19766 1 1075 . 1 1 89 89 TYR HE2 H 1 6.247 0.005 . 3 . . . A 89 TYR HE2 . 19766 1 1076 . 1 1 89 89 TYR C C 13 173.089 0.000 . 1 . . . A 89 TYR C . 19766 1 1077 . 1 1 89 89 TYR CA C 13 57.529 0.020 . 1 . . . A 89 TYR CA . 19766 1 1078 . 1 1 89 89 TYR CB C 13 39.808 0.057 . 1 . . . A 89 TYR CB . 19766 1 1079 . 1 1 89 89 TYR CD1 C 13 131.949 0.084 . 3 . . . A 89 TYR CD1 . 19766 1 1080 . 1 1 89 89 TYR CD2 C 13 131.949 0.084 . 3 . . . A 89 TYR CD2 . 19766 1 1081 . 1 1 89 89 TYR CE1 C 13 117.303 0.082 . 3 . . . A 89 TYR CE1 . 19766 1 1082 . 1 1 89 89 TYR CE2 C 13 117.303 0.082 . 3 . . . A 89 TYR CE2 . 19766 1 1083 . 1 1 89 89 TYR N N 15 122.872 0.300 . 1 . . . A 89 TYR N . 19766 1 1084 . 1 1 90 90 ARG H H 1 7.018 0.003 . 1 . . . A 90 ARG H . 19766 1 1085 . 1 1 90 90 ARG HA H 1 4.429 0.004 . 1 . . . A 90 ARG HA . 19766 1 1086 . 1 1 90 90 ARG HB2 H 1 1.507 0.006 . 2 . . . A 90 ARG HB2 . 19766 1 1087 . 1 1 90 90 ARG HB3 H 1 1.376 0.005 . 2 . . . A 90 ARG HB3 . 19766 1 1088 . 1 1 90 90 ARG HG2 H 1 1.399 0.004 . 2 . . . A 90 ARG HG2 . 19766 1 1089 . 1 1 90 90 ARG HG3 H 1 1.399 0.004 . 2 . . . A 90 ARG HG3 . 19766 1 1090 . 1 1 90 90 ARG HD2 H 1 3.046 0.004 . 2 . . . A 90 ARG HD2 . 19766 1 1091 . 1 1 90 90 ARG HD3 H 1 3.046 0.004 . 2 . . . A 90 ARG HD3 . 19766 1 1092 . 1 1 90 90 ARG CA C 13 51.568 0.035 . 1 . . . A 90 ARG CA . 19766 1 1093 . 1 1 90 90 ARG CB C 13 30.994 0.039 . 1 . . . A 90 ARG CB . 19766 1 1094 . 1 1 90 90 ARG CG C 13 26.829 0.028 . 1 . . . A 90 ARG CG . 19766 1 1095 . 1 1 90 90 ARG CD C 13 43.361 0.034 . 1 . . . A 90 ARG CD . 19766 1 1096 . 1 1 90 90 ARG N N 15 128.867 0.027 . 1 . . . A 90 ARG N . 19766 1 1097 . 1 1 91 91 PRO HA H 1 4.190 0.004 . 1 . . . A 91 PRO HA . 19766 1 1098 . 1 1 91 91 PRO HB2 H 1 1.795 0.004 . 2 . . . A 91 PRO HB2 . 19766 1 1099 . 1 1 91 91 PRO HB3 H 1 2.086 0.002 . 2 . . . A 91 PRO HB3 . 19766 1 1100 . 1 1 91 91 PRO HG2 H 1 1.773 0.001 . 2 . . . A 91 PRO HG2 . 19766 1 1101 . 1 1 91 91 PRO HG3 H 1 1.812 0.002 . 2 . . . A 91 PRO HG3 . 19766 1 1102 . 1 1 91 91 PRO HD2 H 1 3.500 0.006 . 2 . . . A 91 PRO HD2 . 19766 1 1103 . 1 1 91 91 PRO HD3 H 1 3.433 0.003 . 2 . . . A 91 PRO HD3 . 19766 1 1104 . 1 1 91 91 PRO C C 13 176.284 0.000 . 1 . . . A 91 PRO C . 19766 1 1105 . 1 1 91 91 PRO CA C 13 62.489 0.067 . 1 . . . A 91 PRO CA . 19766 1 1106 . 1 1 91 91 PRO CB C 13 33.047 0.050 . 1 . . . A 91 PRO CB . 19766 1 1107 . 1 1 91 91 PRO CG C 13 27.032 0.032 . 1 . . . A 91 PRO CG . 19766 1 1108 . 1 1 91 91 PRO CD C 13 50.808 0.036 . 1 . . . A 91 PRO CD . 19766 1 1109 . 1 1 92 92 LYS H H 1 8.672 0.003 . 1 . . . A 92 LYS H . 19766 1 1110 . 1 1 92 92 LYS HA H 1 4.682 0.020 . 1 . . . A 92 LYS HA . 19766 1 1111 . 1 1 92 92 LYS HB2 H 1 1.918 0.005 . 2 . . . A 92 LYS HB2 . 19766 1 1112 . 1 1 92 92 LYS HB3 H 1 1.685 0.002 . 2 . . . A 92 LYS HB3 . 19766 1 1113 . 1 1 92 92 LYS HG2 H 1 1.429 0.001 . 2 . . . A 92 LYS HG2 . 19766 1 1114 . 1 1 92 92 LYS HG3 H 1 1.481 0.001 . 2 . . . A 92 LYS HG3 . 19766 1 1115 . 1 1 92 92 LYS HD2 H 1 1.664 0.002 . 2 . . . A 92 LYS HD2 . 19766 1 1116 . 1 1 92 92 LYS HD3 H 1 1.664 0.002 . 2 . . . A 92 LYS HD3 . 19766 1 1117 . 1 1 92 92 LYS HE2 H 1 2.979 0.001 . 2 . . . A 92 LYS HE2 . 19766 1 1118 . 1 1 92 92 LYS HE3 H 1 2.979 0.001 . 2 . . . A 92 LYS HE3 . 19766 1 1119 . 1 1 92 92 LYS CA C 13 54.687 0.300 . 1 . . . A 92 LYS CA . 19766 1 1120 . 1 1 92 92 LYS CB C 13 35.059 0.044 . 1 . . . A 92 LYS CB . 19766 1 1121 . 1 1 92 92 LYS CG C 13 24.381 0.022 . 1 . . . A 92 LYS CG . 19766 1 1122 . 1 1 92 92 LYS CD C 13 29.436 0.300 . 1 . . . A 92 LYS CD . 19766 1 1123 . 1 1 92 92 LYS CE C 13 42.003 0.010 . 1 . . . A 92 LYS CE . 19766 1 1124 . 1 1 92 92 LYS N N 15 119.987 0.028 . 1 . . . A 92 LYS N . 19766 1 1125 . 1 1 93 93 ARG HA H 1 4.174 0.003 . 1 . . . A 93 ARG HA . 19766 1 1126 . 1 1 93 93 ARG HB2 H 1 1.959 0.001 . 2 . . . A 93 ARG HB2 . 19766 1 1127 . 1 1 93 93 ARG HB3 H 1 1.914 0.020 . 2 . . . A 93 ARG HB3 . 19766 1 1128 . 1 1 93 93 ARG HG2 H 1 1.750 0.003 . 2 . . . A 93 ARG HG2 . 19766 1 1129 . 1 1 93 93 ARG HG3 H 1 1.775 0.026 . 2 . . . A 93 ARG HG3 . 19766 1 1130 . 1 1 93 93 ARG HD2 H 1 3.260 0.001 . 2 . . . A 93 ARG HD2 . 19766 1 1131 . 1 1 93 93 ARG HD3 H 1 3.260 0.001 . 2 . . . A 93 ARG HD3 . 19766 1 1132 . 1 1 93 93 ARG C C 13 178.848 0.000 . 1 . . . A 93 ARG C . 19766 1 1133 . 1 1 93 93 ARG CA C 13 59.192 0.054 . 1 . . . A 93 ARG CA . 19766 1 1134 . 1 1 93 93 ARG CB C 13 29.796 0.028 . 1 . . . A 93 ARG CB . 19766 1 1135 . 1 1 93 93 ARG CG C 13 27.144 0.030 . 1 . . . A 93 ARG CG . 19766 1 1136 . 1 1 93 93 ARG CD C 13 43.166 0.021 . 1 . . . A 93 ARG CD . 19766 1 1137 . 1 1 94 94 SER H H 1 8.353 0.020 . 1 . . . A 94 SER H . 19766 1 1138 . 1 1 94 94 SER HA H 1 4.266 0.004 . 1 . . . A 94 SER HA . 19766 1 1139 . 1 1 94 94 SER HB2 H 1 3.881 0.020 . 2 . . . A 94 SER HB2 . 19766 1 1140 . 1 1 94 94 SER HB3 H 1 4.001 0.003 . 2 . . . A 94 SER HB3 . 19766 1 1141 . 1 1 94 94 SER C C 13 175.827 0.000 . 1 . . . A 94 SER C . 19766 1 1142 . 1 1 94 94 SER CA C 13 60.087 0.027 . 1 . . . A 94 SER CA . 19766 1 1143 . 1 1 94 94 SER CB C 13 62.266 0.014 . 1 . . . A 94 SER CB . 19766 1 1144 . 1 1 94 94 SER N N 15 112.252 0.300 . 1 . . . A 94 SER N . 19766 1 1145 . 1 1 95 95 LEU H H 1 7.229 0.003 . 1 . . . A 95 LEU H . 19766 1 1146 . 1 1 95 95 LEU HA H 1 4.665 0.020 . 1 . . . A 95 LEU HA . 19766 1 1147 . 1 1 95 95 LEU HB2 H 1 1.450 0.005 . 2 . . . A 95 LEU HB2 . 19766 1 1148 . 1 1 95 95 LEU HB3 H 1 1.095 0.005 . 2 . . . A 95 LEU HB3 . 19766 1 1149 . 1 1 95 95 LEU HG H 1 1.375 0.002 . 1 . . . A 95 LEU HG . 19766 1 1150 . 1 1 95 95 LEU HD11 H 1 0.539 0.004 . 2 . . . A 95 LEU HD11 . 19766 1 1151 . 1 1 95 95 LEU HD12 H 1 0.539 0.004 . 2 . . . A 95 LEU HD12 . 19766 1 1152 . 1 1 95 95 LEU HD13 H 1 0.539 0.004 . 2 . . . A 95 LEU HD13 . 19766 1 1153 . 1 1 95 95 LEU HD21 H 1 0.777 0.003 . 2 . . . A 95 LEU HD21 . 19766 1 1154 . 1 1 95 95 LEU HD22 H 1 0.777 0.003 . 2 . . . A 95 LEU HD22 . 19766 1 1155 . 1 1 95 95 LEU HD23 H 1 0.777 0.003 . 2 . . . A 95 LEU HD23 . 19766 1 1156 . 1 1 95 95 LEU C C 13 175.444 0.000 . 1 . . . A 95 LEU C . 19766 1 1157 . 1 1 95 95 LEU CA C 13 54.104 0.300 . 1 . . . A 95 LEU CA . 19766 1 1158 . 1 1 95 95 LEU CB C 13 41.912 0.029 . 1 . . . A 95 LEU CB . 19766 1 1159 . 1 1 95 95 LEU CG C 13 26.815 0.048 . 1 . . . A 95 LEU CG . 19766 1 1160 . 1 1 95 95 LEU CD1 C 13 22.733 0.037 . 2 . . . A 95 LEU CD1 . 19766 1 1161 . 1 1 95 95 LEU CD2 C 13 25.589 0.039 . 2 . . . A 95 LEU CD2 . 19766 1 1162 . 1 1 95 95 LEU N N 15 122.261 0.025 . 1 . . . A 95 LEU N . 19766 1 1163 . 1 1 96 96 GLN H H 1 7.390 0.002 . 1 . . . A 96 GLN H . 19766 1 1164 . 1 1 96 96 GLN HA H 1 4.093 0.003 . 1 . . . A 96 GLN HA . 19766 1 1165 . 1 1 96 96 GLN HB2 H 1 2.029 0.005 . 2 . . . A 96 GLN HB2 . 19766 1 1166 . 1 1 96 96 GLN HB3 H 1 2.459 0.006 . 2 . . . A 96 GLN HB3 . 19766 1 1167 . 1 1 96 96 GLN HG2 H 1 2.491 0.002 . 2 . . . A 96 GLN HG2 . 19766 1 1168 . 1 1 96 96 GLN HG3 H 1 2.570 0.004 . 2 . . . A 96 GLN HG3 . 19766 1 1169 . 1 1 96 96 GLN HE21 H 1 6.885 0.020 . 2 . . . A 96 GLN HE21 . 19766 1 1170 . 1 1 96 96 GLN HE22 H 1 7.836 0.002 . 2 . . . A 96 GLN HE22 . 19766 1 1171 . 1 1 96 96 GLN C C 13 177.668 0.000 . 1 . . . A 96 GLN C . 19766 1 1172 . 1 1 96 96 GLN CA C 13 60.710 0.038 . 1 . . . A 96 GLN CA . 19766 1 1173 . 1 1 96 96 GLN CB C 13 28.981 0.022 . 1 . . . A 96 GLN CB . 19766 1 1174 . 1 1 96 96 GLN CG C 13 33.234 0.029 . 1 . . . A 96 GLN CG . 19766 1 1175 . 1 1 96 96 GLN CD C 13 179.956 0.300 . 1 . . . A 96 GLN CD . 19766 1 1176 . 1 1 96 96 GLN N N 15 118.873 0.019 . 1 . . . A 96 GLN N . 19766 1 1177 . 1 1 96 96 GLN NE2 N 15 112.149 0.065 . 1 . . . A 96 GLN NE2 . 19766 1 1178 . 1 1 97 97 LYS H H 1 8.595 0.003 . 1 . . . A 97 LYS H . 19766 1 1179 . 1 1 97 97 LYS HA H 1 4.117 0.003 . 1 . . . A 97 LYS HA . 19766 1 1180 . 1 1 97 97 LYS HB2 H 1 1.876 0.002 . 2 . . . A 97 LYS HB2 . 19766 1 1181 . 1 1 97 97 LYS HB3 H 1 1.921 0.016 . 2 . . . A 97 LYS HB3 . 19766 1 1182 . 1 1 97 97 LYS HG2 H 1 1.453 0.003 . 2 . . . A 97 LYS HG2 . 19766 1 1183 . 1 1 97 97 LYS HG3 H 1 1.558 0.003 . 2 . . . A 97 LYS HG3 . 19766 1 1184 . 1 1 97 97 LYS HD2 H 1 1.688 0.005 . 2 . . . A 97 LYS HD2 . 19766 1 1185 . 1 1 97 97 LYS HD3 H 1 1.688 0.005 . 2 . . . A 97 LYS HD3 . 19766 1 1186 . 1 1 97 97 LYS HE2 H 1 3.002 0.004 . 2 . . . A 97 LYS HE2 . 19766 1 1187 . 1 1 97 97 LYS HE3 H 1 2.961 0.005 . 2 . . . A 97 LYS HE3 . 19766 1 1188 . 1 1 97 97 LYS C C 13 179.237 0.000 . 1 . . . A 97 LYS C . 19766 1 1189 . 1 1 97 97 LYS CA C 13 59.393 0.032 . 1 . . . A 97 LYS CA . 19766 1 1190 . 1 1 97 97 LYS CB C 13 31.516 0.059 . 1 . . . A 97 LYS CB . 19766 1 1191 . 1 1 97 97 LYS CG C 13 25.416 0.042 . 1 . . . A 97 LYS CG . 19766 1 1192 . 1 1 97 97 LYS CD C 13 28.841 0.031 . 1 . . . A 97 LYS CD . 19766 1 1193 . 1 1 97 97 LYS CE C 13 42.124 0.049 . 1 . . . A 97 LYS CE . 19766 1 1194 . 1 1 97 97 LYS N N 15 116.416 0.032 . 1 . . . A 97 LYS N . 19766 1 1195 . 1 1 98 98 TYR H H 1 7.558 0.002 . 1 . . . A 98 TYR H . 19766 1 1196 . 1 1 98 98 TYR HA H 1 4.137 0.004 . 1 . . . A 98 TYR HA . 19766 1 1197 . 1 1 98 98 TYR HB2 H 1 3.109 0.011 . 2 . . . A 98 TYR HB2 . 19766 1 1198 . 1 1 98 98 TYR HB3 H 1 3.203 0.007 . 2 . . . A 98 TYR HB3 . 19766 1 1199 . 1 1 98 98 TYR HD1 H 1 6.944 0.007 . 3 . . . A 98 TYR HD1 . 19766 1 1200 . 1 1 98 98 TYR HD2 H 1 6.944 0.007 . 3 . . . A 98 TYR HD2 . 19766 1 1201 . 1 1 98 98 TYR HE1 H 1 6.878 0.002 . 3 . . . A 98 TYR HE1 . 19766 1 1202 . 1 1 98 98 TYR HE2 H 1 6.878 0.002 . 3 . . . A 98 TYR HE2 . 19766 1 1203 . 1 1 98 98 TYR C C 13 177.309 0.000 . 1 . . . A 98 TYR C . 19766 1 1204 . 1 1 98 98 TYR CA C 13 62.229 0.064 . 1 . . . A 98 TYR CA . 19766 1 1205 . 1 1 98 98 TYR CB C 13 37.290 0.062 . 1 . . . A 98 TYR CB . 19766 1 1206 . 1 1 98 98 TYR CD1 C 13 133.358 0.070 . 3 . . . A 98 TYR CD1 . 19766 1 1207 . 1 1 98 98 TYR CD2 C 13 133.358 0.070 . 3 . . . A 98 TYR CD2 . 19766 1 1208 . 1 1 98 98 TYR CE1 C 13 117.758 0.116 . 3 . . . A 98 TYR CE1 . 19766 1 1209 . 1 1 98 98 TYR CE2 C 13 117.758 0.116 . 3 . . . A 98 TYR CE2 . 19766 1 1210 . 1 1 98 98 TYR N N 15 123.922 0.046 . 1 . . . A 98 TYR N . 19766 1 1211 . 1 1 99 99 TYR H H 1 8.624 0.004 . 1 . . . A 99 TYR H . 19766 1 1212 . 1 1 99 99 TYR HA H 1 5.108 0.005 . 1 . . . A 99 TYR HA . 19766 1 1213 . 1 1 99 99 TYR HB2 H 1 3.470 0.007 . 2 . . . A 99 TYR HB2 . 19766 1 1214 . 1 1 99 99 TYR HB3 H 1 3.254 0.008 . 2 . . . A 99 TYR HB3 . 19766 1 1215 . 1 1 99 99 TYR HD1 H 1 7.624 0.004 . 3 . . . A 99 TYR HD1 . 19766 1 1216 . 1 1 99 99 TYR HD2 H 1 7.624 0.004 . 3 . . . A 99 TYR HD2 . 19766 1 1217 . 1 1 99 99 TYR HE1 H 1 7.031 0.004 . 3 . . . A 99 TYR HE1 . 19766 1 1218 . 1 1 99 99 TYR HE2 H 1 7.031 0.004 . 3 . . . A 99 TYR HE2 . 19766 1 1219 . 1 1 99 99 TYR CA C 13 57.898 0.085 . 1 . . . A 99 TYR CA . 19766 1 1220 . 1 1 99 99 TYR CB C 13 37.222 0.029 . 1 . . . A 99 TYR CB . 19766 1 1221 . 1 1 99 99 TYR CD1 C 13 132.801 0.108 . 3 . . . A 99 TYR CD1 . 19766 1 1222 . 1 1 99 99 TYR CD2 C 13 132.801 0.108 . 3 . . . A 99 TYR CD2 . 19766 1 1223 . 1 1 99 99 TYR CE1 C 13 118.414 0.099 . 3 . . . A 99 TYR CE1 . 19766 1 1224 . 1 1 99 99 TYR CE2 C 13 118.414 0.099 . 3 . . . A 99 TYR CE2 . 19766 1 1225 . 1 1 99 99 TYR N N 15 118.047 0.036 . 1 . . . A 99 TYR N . 19766 1 1226 . 1 1 100 100 GLU H H 1 8.348 0.001 . 1 . . . A 100 GLU H . 19766 1 1227 . 1 1 100 100 GLU HA H 1 4.066 0.002 . 1 . . . A 100 GLU HA . 19766 1 1228 . 1 1 100 100 GLU HB2 H 1 2.152 0.001 . 2 . . . A 100 GLU HB2 . 19766 1 1229 . 1 1 100 100 GLU HB3 H 1 2.220 0.001 . 2 . . . A 100 GLU HB3 . 19766 1 1230 . 1 1 100 100 GLU HG2 H 1 2.376 0.004 . 2 . . . A 100 GLU HG2 . 19766 1 1231 . 1 1 100 100 GLU HG3 H 1 2.676 0.004 . 2 . . . A 100 GLU HG3 . 19766 1 1232 . 1 1 100 100 GLU C C 13 178.595 0.000 . 1 . . . A 100 GLU C . 19766 1 1233 . 1 1 100 100 GLU CA C 13 59.485 0.016 . 1 . . . A 100 GLU CA . 19766 1 1234 . 1 1 100 100 GLU CB C 13 29.795 0.033 . 1 . . . A 100 GLU CB . 19766 1 1235 . 1 1 100 100 GLU CG C 13 36.765 0.038 . 1 . . . A 100 GLU CG . 19766 1 1236 . 1 1 100 100 GLU N N 15 118.804 0.026 . 1 . . . A 100 GLU N . 19766 1 1237 . 1 1 101 101 ALA H H 1 7.963 0.002 . 1 . . . A 101 ALA H . 19766 1 1238 . 1 1 101 101 ALA HA H 1 4.295 0.002 . 1 . . . A 101 ALA HA . 19766 1 1239 . 1 1 101 101 ALA HB1 H 1 1.575 0.003 . 1 . . . A 101 ALA HB1 . 19766 1 1240 . 1 1 101 101 ALA HB2 H 1 1.575 0.003 . 1 . . . A 101 ALA HB2 . 19766 1 1241 . 1 1 101 101 ALA HB3 H 1 1.575 0.003 . 1 . . . A 101 ALA HB3 . 19766 1 1242 . 1 1 101 101 ALA C C 13 181.438 0.000 . 1 . . . A 101 ALA C . 19766 1 1243 . 1 1 101 101 ALA CA C 13 54.858 0.033 . 1 . . . A 101 ALA CA . 19766 1 1244 . 1 1 101 101 ALA CB C 13 18.677 0.043 . 1 . . . A 101 ALA CB . 19766 1 1245 . 1 1 101 101 ALA N N 15 123.315 0.018 . 1 . . . A 101 ALA N . 19766 1 1246 . 1 1 102 102 VAL H H 1 8.321 0.002 . 1 . . . A 102 VAL H . 19766 1 1247 . 1 1 102 102 VAL HA H 1 3.777 0.006 . 1 . . . A 102 VAL HA . 19766 1 1248 . 1 1 102 102 VAL HB H 1 2.569 0.003 . 1 . . . A 102 VAL HB . 19766 1 1249 . 1 1 102 102 VAL HG11 H 1 1.291 0.002 . 2 . . . A 102 VAL HG11 . 19766 1 1250 . 1 1 102 102 VAL HG12 H 1 1.291 0.002 . 2 . . . A 102 VAL HG12 . 19766 1 1251 . 1 1 102 102 VAL HG13 H 1 1.291 0.002 . 2 . . . A 102 VAL HG13 . 19766 1 1252 . 1 1 102 102 VAL HG21 H 1 0.966 0.003 . 2 . . . A 102 VAL HG21 . 19766 1 1253 . 1 1 102 102 VAL HG22 H 1 0.966 0.003 . 2 . . . A 102 VAL HG22 . 19766 1 1254 . 1 1 102 102 VAL HG23 H 1 0.966 0.003 . 2 . . . A 102 VAL HG23 . 19766 1 1255 . 1 1 102 102 VAL C C 13 176.958 0.000 . 1 . . . A 102 VAL C . 19766 1 1256 . 1 1 102 102 VAL CA C 13 67.405 0.037 . 1 . . . A 102 VAL CA . 19766 1 1257 . 1 1 102 102 VAL CB C 13 31.836 0.086 . 1 . . . A 102 VAL CB . 19766 1 1258 . 1 1 102 102 VAL CG1 C 13 22.492 0.034 . 2 . . . A 102 VAL CG1 . 19766 1 1259 . 1 1 102 102 VAL CG2 C 13 23.086 0.073 . 2 . . . A 102 VAL CG2 . 19766 1 1260 . 1 1 102 102 VAL N N 15 120.092 0.070 . 1 . . . A 102 VAL N . 19766 1 1261 . 1 1 103 103 LYS H H 1 8.266 0.004 . 1 . . . A 103 LYS H . 19766 1 1262 . 1 1 103 103 LYS HA H 1 3.926 0.001 . 1 . . . A 103 LYS HA . 19766 1 1263 . 1 1 103 103 LYS HB2 H 1 1.950 0.002 . 2 . . . A 103 LYS HB2 . 19766 1 1264 . 1 1 103 103 LYS HB3 H 1 1.950 0.002 . 2 . . . A 103 LYS HB3 . 19766 1 1265 . 1 1 103 103 LYS HG2 H 1 1.552 0.002 . 2 . . . A 103 LYS HG2 . 19766 1 1266 . 1 1 103 103 LYS HG3 H 1 1.449 0.004 . 2 . . . A 103 LYS HG3 . 19766 1 1267 . 1 1 103 103 LYS HD2 H 1 1.713 0.001 . 2 . . . A 103 LYS HD2 . 19766 1 1268 . 1 1 103 103 LYS HD3 H 1 1.713 0.001 . 2 . . . A 103 LYS HD3 . 19766 1 1269 . 1 1 103 103 LYS HE2 H 1 3.029 0.002 . 2 . . . A 103 LYS HE2 . 19766 1 1270 . 1 1 103 103 LYS HE3 H 1 3.029 0.002 . 2 . . . A 103 LYS HE3 . 19766 1 1271 . 1 1 103 103 LYS C C 13 178.354 0.000 . 1 . . . A 103 LYS C . 19766 1 1272 . 1 1 103 103 LYS CA C 13 59.683 0.022 . 1 . . . A 103 LYS CA . 19766 1 1273 . 1 1 103 103 LYS CB C 13 32.176 0.032 . 1 . . . A 103 LYS CB . 19766 1 1274 . 1 1 103 103 LYS CG C 13 24.629 0.025 . 1 . . . A 103 LYS CG . 19766 1 1275 . 1 1 103 103 LYS CD C 13 29.005 0.022 . 1 . . . A 103 LYS CD . 19766 1 1276 . 1 1 103 103 LYS CE C 13 42.314 0.034 . 1 . . . A 103 LYS CE . 19766 1 1277 . 1 1 103 103 LYS N N 15 120.226 0.057 . 1 . . . A 103 LYS N . 19766 1 1278 . 1 1 104 104 GLU H H 1 8.027 0.001 . 1 . . . A 104 GLU H . 19766 1 1279 . 1 1 104 104 GLU HA H 1 3.961 0.003 . 1 . . . A 104 GLU HA . 19766 1 1280 . 1 1 104 104 GLU HB2 H 1 2.123 0.006 . 2 . . . A 104 GLU HB2 . 19766 1 1281 . 1 1 104 104 GLU HB3 H 1 2.038 0.001 . 2 . . . A 104 GLU HB3 . 19766 1 1282 . 1 1 104 104 GLU HG2 H 1 2.247 0.004 . 2 . . . A 104 GLU HG2 . 19766 1 1283 . 1 1 104 104 GLU HG3 H 1 2.399 0.002 . 2 . . . A 104 GLU HG3 . 19766 1 1284 . 1 1 104 104 GLU C C 13 178.628 0.000 . 1 . . . A 104 GLU C . 19766 1 1285 . 1 1 104 104 GLU CA C 13 59.110 0.040 . 1 . . . A 104 GLU CA . 19766 1 1286 . 1 1 104 104 GLU CB C 13 29.725 0.052 . 1 . . . A 104 GLU CB . 19766 1 1287 . 1 1 104 104 GLU CG C 13 36.409 0.029 . 1 . . . A 104 GLU CG . 19766 1 1288 . 1 1 104 104 GLU N N 15 116.521 0.019 . 1 . . . A 104 GLU N . 19766 1 1289 . 1 1 105 105 GLU H H 1 7.225 0.001 . 1 . . . A 105 GLU H . 19766 1 1290 . 1 1 105 105 GLU HA H 1 3.900 0.004 . 1 . . . A 105 GLU HA . 19766 1 1291 . 1 1 105 105 GLU HB2 H 1 1.583 0.003 . 2 . . . A 105 GLU HB2 . 19766 1 1292 . 1 1 105 105 GLU HB3 H 1 1.384 0.004 . 2 . . . A 105 GLU HB3 . 19766 1 1293 . 1 1 105 105 GLU HG2 H 1 1.178 0.009 . 2 . . . A 105 GLU HG2 . 19766 1 1294 . 1 1 105 105 GLU HG3 H 1 0.297 0.006 . 2 . . . A 105 GLU HG3 . 19766 1 1295 . 1 1 105 105 GLU C C 13 178.399 0.000 . 1 . . . A 105 GLU C . 19766 1 1296 . 1 1 105 105 GLU CA C 13 58.265 0.046 . 1 . . . A 105 GLU CA . 19766 1 1297 . 1 1 105 105 GLU CB C 13 29.773 0.066 . 1 . . . A 105 GLU CB . 19766 1 1298 . 1 1 105 105 GLU CG C 13 32.614 0.056 . 1 . . . A 105 GLU CG . 19766 1 1299 . 1 1 105 105 GLU N N 15 118.569 0.042 . 1 . . . A 105 GLU N . 19766 1 1300 . 1 1 106 106 LEU H H 1 8.273 0.002 . 1 . . . A 106 LEU H . 19766 1 1301 . 1 1 106 106 LEU HA H 1 4.033 0.004 . 1 . . . A 106 LEU HA . 19766 1 1302 . 1 1 106 106 LEU HB2 H 1 1.748 0.006 . 2 . . . A 106 LEU HB2 . 19766 1 1303 . 1 1 106 106 LEU HB3 H 1 1.476 0.003 . 2 . . . A 106 LEU HB3 . 19766 1 1304 . 1 1 106 106 LEU HG H 1 1.786 0.001 . 1 . . . A 106 LEU HG . 19766 1 1305 . 1 1 106 106 LEU HD11 H 1 0.661 0.002 . 2 . . . A 106 LEU HD11 . 19766 1 1306 . 1 1 106 106 LEU HD12 H 1 0.661 0.002 . 2 . . . A 106 LEU HD12 . 19766 1 1307 . 1 1 106 106 LEU HD13 H 1 0.661 0.002 . 2 . . . A 106 LEU HD13 . 19766 1 1308 . 1 1 106 106 LEU HD21 H 1 0.593 0.003 . 2 . . . A 106 LEU HD21 . 19766 1 1309 . 1 1 106 106 LEU HD22 H 1 0.593 0.003 . 2 . . . A 106 LEU HD22 . 19766 1 1310 . 1 1 106 106 LEU HD23 H 1 0.593 0.003 . 2 . . . A 106 LEU HD23 . 19766 1 1311 . 1 1 106 106 LEU C C 13 179.770 0.000 . 1 . . . A 106 LEU C . 19766 1 1312 . 1 1 106 106 LEU CA C 13 56.925 0.054 . 1 . . . A 106 LEU CA . 19766 1 1313 . 1 1 106 106 LEU CB C 13 40.285 0.016 . 1 . . . A 106 LEU CB . 19766 1 1314 . 1 1 106 106 LEU CG C 13 26.683 0.003 . 1 . . . A 106 LEU CG . 19766 1 1315 . 1 1 106 106 LEU CD1 C 13 22.104 0.045 . 2 . . . A 106 LEU CD1 . 19766 1 1316 . 1 1 106 106 LEU CD2 C 13 25.481 0.019 . 2 . . . A 106 LEU CD2 . 19766 1 1317 . 1 1 106 106 LEU N N 15 116.938 0.027 . 1 . . . A 106 LEU N . 19766 1 1318 . 1 1 107 107 ASP H H 1 8.286 0.001 . 1 . . . A 107 ASP H . 19766 1 1319 . 1 1 107 107 ASP HA H 1 4.548 0.002 . 1 . . . A 107 ASP HA . 19766 1 1320 . 1 1 107 107 ASP HB2 H 1 2.765 0.002 . 2 . . . A 107 ASP HB2 . 19766 1 1321 . 1 1 107 107 ASP HB3 H 1 2.615 0.003 . 2 . . . A 107 ASP HB3 . 19766 1 1322 . 1 1 107 107 ASP C C 13 177.891 0.000 . 1 . . . A 107 ASP C . 19766 1 1323 . 1 1 107 107 ASP CA C 13 55.933 0.300 . 1 . . . A 107 ASP CA . 19766 1 1324 . 1 1 107 107 ASP CB C 13 40.714 0.021 . 1 . . . A 107 ASP CB . 19766 1 1325 . 1 1 107 107 ASP N N 15 119.855 0.040 . 1 . . . A 107 ASP N . 19766 1 1326 . 1 1 108 108 ARG H H 1 7.406 0.002 . 1 . . . A 108 ARG H . 19766 1 1327 . 1 1 108 108 ARG HA H 1 4.081 0.002 . 1 . . . A 108 ARG HA . 19766 1 1328 . 1 1 108 108 ARG HB2 H 1 1.832 0.007 . 2 . . . A 108 ARG HB2 . 19766 1 1329 . 1 1 108 108 ARG HB3 H 1 1.832 0.007 . 2 . . . A 108 ARG HB3 . 19766 1 1330 . 1 1 108 108 ARG HG2 H 1 1.818 0.002 . 2 . . . A 108 ARG HG2 . 19766 1 1331 . 1 1 108 108 ARG HG3 H 1 1.598 0.002 . 2 . . . A 108 ARG HG3 . 19766 1 1332 . 1 1 108 108 ARG HD2 H 1 3.174 0.002 . 2 . . . A 108 ARG HD2 . 19766 1 1333 . 1 1 108 108 ARG HD3 H 1 3.174 0.002 . 2 . . . A 108 ARG HD3 . 19766 1 1334 . 1 1 108 108 ARG C C 13 177.325 0.000 . 1 . . . A 108 ARG C . 19766 1 1335 . 1 1 108 108 ARG CA C 13 58.009 0.032 . 1 . . . A 108 ARG CA . 19766 1 1336 . 1 1 108 108 ARG CB C 13 30.404 0.059 . 1 . . . A 108 ARG CB . 19766 1 1337 . 1 1 108 108 ARG CG C 13 27.498 0.014 . 1 . . . A 108 ARG CG . 19766 1 1338 . 1 1 108 108 ARG CD C 13 43.585 0.032 . 1 . . . A 108 ARG CD . 19766 1 1339 . 1 1 108 108 ARG N N 15 118.853 0.016 . 1 . . . A 108 ARG N . 19766 1 1340 . 1 1 109 109 ASP H H 1 7.853 0.003 . 1 . . . A 109 ASP H . 19766 1 1341 . 1 1 109 109 ASP HA H 1 4.535 0.002 . 1 . . . A 109 ASP HA . 19766 1 1342 . 1 1 109 109 ASP HB2 H 1 2.749 0.004 . 2 . . . A 109 ASP HB2 . 19766 1 1343 . 1 1 109 109 ASP HB3 H 1 2.750 0.004 . 2 . . . A 109 ASP HB3 . 19766 1 1344 . 1 1 109 109 ASP C C 13 176.758 0.000 . 1 . . . A 109 ASP C . 19766 1 1345 . 1 1 109 109 ASP CA C 13 55.238 0.025 . 1 . . . A 109 ASP CA . 19766 1 1346 . 1 1 109 109 ASP CB C 13 40.745 0.009 . 1 . . . A 109 ASP CB . 19766 1 1347 . 1 1 109 109 ASP N N 15 119.636 0.049 . 1 . . . A 109 ASP N . 19766 1 1348 . 1 1 110 110 ILE H H 1 7.623 0.002 . 1 . . . A 110 ILE H . 19766 1 1349 . 1 1 110 110 ILE HA H 1 4.104 0.001 . 1 . . . A 110 ILE HA . 19766 1 1350 . 1 1 110 110 ILE HB H 1 1.949 0.002 . 1 . . . A 110 ILE HB . 19766 1 1351 . 1 1 110 110 ILE HG12 H 1 1.514 0.004 . 2 . . . A 110 ILE HG12 . 19766 1 1352 . 1 1 110 110 ILE HG13 H 1 1.212 0.004 . 2 . . . A 110 ILE HG13 . 19766 1 1353 . 1 1 110 110 ILE HG21 H 1 0.899 0.007 . 1 . . . A 110 ILE HG21 . 19766 1 1354 . 1 1 110 110 ILE HG22 H 1 0.899 0.007 . 1 . . . A 110 ILE HG22 . 19766 1 1355 . 1 1 110 110 ILE HG23 H 1 0.899 0.007 . 1 . . . A 110 ILE HG23 . 19766 1 1356 . 1 1 110 110 ILE HD11 H 1 0.854 0.002 . 1 . . . A 110 ILE HD11 . 19766 1 1357 . 1 1 110 110 ILE HD12 H 1 0.854 0.002 . 1 . . . A 110 ILE HD12 . 19766 1 1358 . 1 1 110 110 ILE HD13 H 1 0.854 0.002 . 1 . . . A 110 ILE HD13 . 19766 1 1359 . 1 1 110 110 ILE C C 13 176.642 0.000 . 1 . . . A 110 ILE C . 19766 1 1360 . 1 1 110 110 ILE CA C 13 61.776 0.018 . 1 . . . A 110 ILE CA . 19766 1 1361 . 1 1 110 110 ILE CB C 13 38.454 0.030 . 1 . . . A 110 ILE CB . 19766 1 1362 . 1 1 110 110 ILE CG1 C 13 27.479 0.087 . 1 . . . A 110 ILE CG1 . 19766 1 1363 . 1 1 110 110 ILE CG2 C 13 17.677 0.040 . 1 . . . A 110 ILE CG2 . 19766 1 1364 . 1 1 110 110 ILE CD1 C 13 12.922 0.015 . 1 . . . A 110 ILE CD1 . 19766 1 1365 . 1 1 110 110 ILE N N 15 119.905 0.023 . 1 . . . A 110 ILE N . 19766 1 1366 . 1 1 111 111 VAL H H 1 8.043 0.002 . 1 . . . A 111 VAL H . 19766 1 1367 . 1 1 111 111 VAL HA H 1 4.078 0.001 . 1 . . . A 111 VAL HA . 19766 1 1368 . 1 1 111 111 VAL HB H 1 2.116 0.004 . 1 . . . A 111 VAL HB . 19766 1 1369 . 1 1 111 111 VAL HG11 H 1 0.950 0.001 . 2 . . . A 111 VAL HG11 . 19766 1 1370 . 1 1 111 111 VAL HG12 H 1 0.950 0.001 . 2 . . . A 111 VAL HG12 . 19766 1 1371 . 1 1 111 111 VAL HG13 H 1 0.950 0.001 . 2 . . . A 111 VAL HG13 . 19766 1 1372 . 1 1 111 111 VAL HG21 H 1 0.980 0.001 . 2 . . . A 111 VAL HG21 . 19766 1 1373 . 1 1 111 111 VAL HG22 H 1 0.980 0.001 . 2 . . . A 111 VAL HG22 . 19766 1 1374 . 1 1 111 111 VAL HG23 H 1 0.980 0.001 . 2 . . . A 111 VAL HG23 . 19766 1 1375 . 1 1 111 111 VAL C C 13 176.668 0.000 . 1 . . . A 111 VAL C . 19766 1 1376 . 1 1 111 111 VAL CA C 13 63.037 0.016 . 1 . . . A 111 VAL CA . 19766 1 1377 . 1 1 111 111 VAL CB C 13 32.482 0.055 . 1 . . . A 111 VAL CB . 19766 1 1378 . 1 1 111 111 VAL CG1 C 13 21.306 0.023 . 2 . . . A 111 VAL CG1 . 19766 1 1379 . 1 1 111 111 VAL CG2 C 13 20.910 0.021 . 2 . . . A 111 VAL CG2 . 19766 1 1380 . 1 1 111 111 VAL N N 15 122.938 0.123 . 1 . . . A 111 VAL N . 19766 1 1381 . 1 1 112 112 SER H H 1 8.210 0.020 . 1 . . . A 112 SER H . 19766 1 1382 . 1 1 112 112 SER HA H 1 4.417 0.020 . 1 . . . A 112 SER HA . 19766 1 1383 . 1 1 112 112 SER HB2 H 1 3.895 0.020 . 2 . . . A 112 SER HB2 . 19766 1 1384 . 1 1 112 112 SER HB3 H 1 3.895 0.020 . 2 . . . A 112 SER HB3 . 19766 1 1385 . 1 1 112 112 SER C C 13 174.925 0.000 . 1 . . . A 112 SER C . 19766 1 1386 . 1 1 112 112 SER CA C 13 58.848 0.300 . 1 . . . A 112 SER CA . 19766 1 1387 . 1 1 112 112 SER CB C 13 63.551 0.300 . 1 . . . A 112 SER CB . 19766 1 1388 . 1 1 112 112 SER N N 15 118.345 0.300 . 1 . . . A 112 SER N . 19766 1 1389 . 1 1 113 113 LYS H H 1 8.295 0.020 . 1 . . . A 113 LYS H . 19766 1 1390 . 1 1 113 113 LYS HA H 1 4.318 0.020 . 1 . . . A 113 LYS HA . 19766 1 1391 . 1 1 113 113 LYS HB2 H 1 1.869 0.020 . 2 . . . A 113 LYS HB2 . 19766 1 1392 . 1 1 113 113 LYS HB3 H 1 1.780 0.020 . 2 . . . A 113 LYS HB3 . 19766 1 1393 . 1 1 113 113 LYS HG2 H 1 1.461 0.020 . 2 . . . A 113 LYS HG2 . 19766 1 1394 . 1 1 113 113 LYS HG3 H 1 1.431 0.020 . 2 . . . A 113 LYS HG3 . 19766 1 1395 . 1 1 113 113 LYS HD2 H 1 1.684 0.020 . 2 . . . A 113 LYS HD2 . 19766 1 1396 . 1 1 113 113 LYS HD3 H 1 1.684 0.020 . 2 . . . A 113 LYS HD3 . 19766 1 1397 . 1 1 113 113 LYS HE2 H 1 3.009 0.003 . 2 . . . A 113 LYS HE2 . 19766 1 1398 . 1 1 113 113 LYS HE3 H 1 3.009 0.003 . 2 . . . A 113 LYS HE3 . 19766 1 1399 . 1 1 113 113 LYS CA C 13 56.596 0.300 . 1 . . . A 113 LYS CA . 19766 1 1400 . 1 1 113 113 LYS CB C 13 32.846 0.300 . 1 . . . A 113 LYS CB . 19766 1 1401 . 1 1 113 113 LYS CG C 13 24.639 0.300 . 1 . . . A 113 LYS CG . 19766 1 1402 . 1 1 113 113 LYS CD C 13 29.061 0.300 . 1 . . . A 113 LYS CD . 19766 1 1403 . 1 1 113 113 LYS CE C 13 41.987 0.300 . 1 . . . A 113 LYS CE . 19766 1 1404 . 1 1 113 113 LYS N N 15 122.729 0.300 . 1 . . . A 113 LYS N . 19766 1 1405 . 1 1 114 114 ASN H H 1 8.372 0.020 . 1 . . . A 114 ASN H . 19766 1 1406 . 1 1 114 114 ASN HA H 1 4.678 0.020 . 1 . . . A 114 ASN HA . 19766 1 1407 . 1 1 114 114 ASN HB2 H 1 2.855 0.001 . 2 . . . A 114 ASN HB2 . 19766 1 1408 . 1 1 114 114 ASN HB3 H 1 2.839 0.020 . 2 . . . A 114 ASN HB3 . 19766 1 1409 . 1 1 114 114 ASN CA C 13 53.483 0.300 . 1 . . . A 114 ASN CA . 19766 1 1410 . 1 1 114 114 ASN CB C 13 38.858 0.300 . 1 . . . A 114 ASN CB . 19766 1 1411 . 1 1 114 114 ASN N N 15 119.243 0.300 . 1 . . . A 114 ASN N . 19766 1 1412 . 1 1 115 115 ASN H H 1 8.372 0.020 . 1 . . . A 115 ASN H . 19766 1 1413 . 1 1 115 115 ASN HA H 1 4.682 0.002 . 1 . . . A 115 ASN HA . 19766 1 1414 . 1 1 115 115 ASN HB2 H 1 2.767 0.020 . 2 . . . A 115 ASN HB2 . 19766 1 1415 . 1 1 115 115 ASN HB3 H 1 2.838 0.020 . 2 . . . A 115 ASN HB3 . 19766 1 1416 . 1 1 115 115 ASN C C 13 174.877 0.000 . 1 . . . A 115 ASN C . 19766 1 1417 . 1 1 115 115 ASN CA C 13 53.483 0.300 . 1 . . . A 115 ASN CA . 19766 1 1418 . 1 1 115 115 ASN CB C 13 38.858 0.300 . 1 . . . A 115 ASN CB . 19766 1 1419 . 1 1 115 115 ASN N N 15 119.155 0.300 . 1 . . . A 115 ASN N . 19766 1 1420 . 1 1 116 116 ALA H H 1 8.116 0.020 . 1 . . . A 116 ALA H . 19766 1 1421 . 1 1 116 116 ALA HA H 1 4.329 0.020 . 1 . . . A 116 ALA HA . 19766 1 1422 . 1 1 116 116 ALA HB1 H 1 1.411 0.020 . 1 . . . A 116 ALA HB1 . 19766 1 1423 . 1 1 116 116 ALA HB2 H 1 1.411 0.020 . 1 . . . A 116 ALA HB2 . 19766 1 1424 . 1 1 116 116 ALA HB3 H 1 1.411 0.020 . 1 . . . A 116 ALA HB3 . 19766 1 1425 . 1 1 116 116 ALA C C 13 177.574 0.000 . 1 . . . A 116 ALA C . 19766 1 1426 . 1 1 116 116 ALA CA C 13 52.693 0.300 . 1 . . . A 116 ALA CA . 19766 1 1427 . 1 1 116 116 ALA CB C 13 19.347 0.300 . 1 . . . A 116 ALA CB . 19766 1 1428 . 1 1 116 116 ALA N N 15 123.743 0.300 . 1 . . . A 116 ALA N . 19766 1 1429 . 1 1 117 117 GLU H H 1 8.220 0.020 . 1 . . . A 117 GLU H . 19766 1 1430 . 1 1 117 117 GLU HA H 1 4.273 0.002 . 1 . . . A 117 GLU HA . 19766 1 1431 . 1 1 117 117 GLU HB2 H 1 1.949 0.003 . 2 . . . A 117 GLU HB2 . 19766 1 1432 . 1 1 117 117 GLU HB3 H 1 2.089 0.002 . 2 . . . A 117 GLU HB3 . 19766 1 1433 . 1 1 117 117 GLU HG2 H 1 2.260 0.002 . 2 . . . A 117 GLU HG2 . 19766 1 1434 . 1 1 117 117 GLU HG3 H 1 2.303 0.001 . 2 . . . A 117 GLU HG3 . 19766 1 1435 . 1 1 117 117 GLU C C 13 175.557 0.000 . 1 . . . A 117 GLU C . 19766 1 1436 . 1 1 117 117 GLU CA C 13 56.659 0.032 . 1 . . . A 117 GLU CA . 19766 1 1437 . 1 1 117 117 GLU CB C 13 30.154 0.300 . 1 . . . A 117 GLU CB . 19766 1 1438 . 1 1 117 117 GLU CG C 13 36.347 0.300 . 1 . . . A 117 GLU CG . 19766 1 1439 . 1 1 117 117 GLU N N 15 120.161 0.300 . 1 . . . A 117 GLU N . 19766 1 1440 . 1 1 118 118 LYS H H 1 7.809 0.020 . 1 . . . A 118 LYS H . 19766 1 1441 . 1 1 118 118 LYS HA H 1 4.151 0.002 . 1 . . . A 118 LYS HA . 19766 1 1442 . 1 1 118 118 LYS HB2 H 1 1.719 0.014 . 2 . . . A 118 LYS HB2 . 19766 1 1443 . 1 1 118 118 LYS HB3 H 1 1.828 0.005 . 2 . . . A 118 LYS HB3 . 19766 1 1444 . 1 1 118 118 LYS HG2 H 1 1.402 0.013 . 2 . . . A 118 LYS HG2 . 19766 1 1445 . 1 1 118 118 LYS HG3 H 1 1.402 0.013 . 2 . . . A 118 LYS HG3 . 19766 1 1446 . 1 1 118 118 LYS HD2 H 1 1.685 0.009 . 2 . . . A 118 LYS HD2 . 19766 1 1447 . 1 1 118 118 LYS HD3 H 1 1.684 0.009 . 2 . . . A 118 LYS HD3 . 19766 1 1448 . 1 1 118 118 LYS HE2 H 1 3.005 0.006 . 2 . . . A 118 LYS HE2 . 19766 1 1449 . 1 1 118 118 LYS HE3 H 1 3.005 0.006 . 2 . . . A 118 LYS HE3 . 19766 1 1450 . 1 1 118 118 LYS CA C 13 57.735 0.007 . 1 . . . A 118 LYS CA . 19766 1 1451 . 1 1 118 118 LYS CB C 13 33.786 0.300 . 1 . . . A 118 LYS CB . 19766 1 1452 . 1 1 118 118 LYS CG C 13 24.741 0.015 . 1 . . . A 118 LYS CG . 19766 1 1453 . 1 1 118 118 LYS CD C 13 29.176 0.016 . 1 . . . A 118 LYS CD . 19766 1 1454 . 1 1 118 118 LYS CE C 13 42.317 0.018 . 1 . . . A 118 LYS CE . 19766 1 1455 . 1 1 118 118 LYS N N 15 127.020 0.300 . 1 . . . A 118 LYS N . 19766 1 1456 . 2 2 1 1 GLY HA2 H 1 3.823 0.020 . 2 . . . . 200 GLY HA2 . 19766 1 1457 . 2 2 1 1 GLY HA3 H 1 3.820 0.020 . 2 . . . . 200 GLY HA3 . 19766 1 1458 . 2 2 1 1 GLY CA C 13 44.119 0.300 . 1 . . . . 200 GLY CA . 19766 1 1459 . 2 2 2 2 SER H H 1 7.840 0.020 . 1 . . . . 201 SER HN . 19766 1 1460 . 2 2 2 2 SER HA H 1 4.503 0.020 . 1 . . . . 201 SER HA . 19766 1 1461 . 2 2 2 2 SER CA C 13 58.529 0.300 . 1 . . . . 201 SER CA . 19766 1 1462 . 2 2 2 2 SER CB C 13 64.080 0.300 . 1 . . . . 201 SER CB . 19766 1 1463 . 2 2 2 2 SER N N 15 122.151 0.300 . 1 . . . . 201 SER N . 19766 1 1464 . 2 2 3 3 LYS H H 1 7.929 0.020 . 1 . . . . 202 LYS HN . 19766 1 1465 . 2 2 3 3 LYS HA H 1 4.380 0.001 . 1 . . . . 202 LYS HA . 19766 1 1466 . 2 2 3 3 LYS HB2 H 1 1.863 0.003 . 2 . . . . 202 LYS HB2 . 19766 1 1467 . 2 2 3 3 LYS HB3 H 1 1.761 0.020 . 2 . . . . 202 LYS HB3 . 19766 1 1468 . 2 2 3 3 LYS HG2 H 1 1.481 0.020 . 2 . . . . 202 LYS HG2 . 19766 1 1469 . 2 2 3 3 LYS HG3 H 1 1.481 0.020 . 2 . . . . 202 LYS HG3 . 19766 1 1470 . 2 2 3 3 LYS HD2 H 1 1.712 0.020 . 2 . . . . 202 LYS HD2 . 19766 1 1471 . 2 2 3 3 LYS HD3 H 1 1.712 0.020 . 2 . . . . 202 LYS HD3 . 19766 1 1472 . 2 2 3 3 LYS CA C 13 56.536 0.029 . 1 . . . . 202 LYS CA . 19766 1 1473 . 2 2 3 3 LYS CB C 13 33.017 0.042 . 1 . . . . 202 LYS CB . 19766 1 1474 . 2 2 3 3 LYS CG C 13 24.814 0.300 . 1 . . . . 202 LYS CG . 19766 1 1475 . 2 2 3 3 LYS CD C 13 29.017 0.300 . 1 . . . . 202 LYS CD . 19766 1 1476 . 2 2 3 3 LYS CE C 13 42.227 0.300 . 1 . . . . 202 LYS CE . 19766 1 1477 . 2 2 3 3 LYS N N 15 120.279 0.300 . 1 . . . . 202 LYS N . 19766 1 1478 . 2 2 4 4 SER H H 1 8.337 0.020 . 1 . . . . 203 SER HN . 19766 1 1479 . 2 2 4 4 SER HA H 1 4.401 0.001 . 1 . . . . 203 SER HA . 19766 1 1480 . 2 2 4 4 SER HB2 H 1 3.812 0.020 . 2 . . . . 203 SER HB2 . 19766 1 1481 . 2 2 4 4 SER HB3 H 1 3.812 0.020 . 2 . . . . 203 SER HB3 . 19766 1 1482 . 2 2 4 4 SER CA C 13 58.464 0.028 . 1 . . . . 203 SER CA . 19766 1 1483 . 2 2 4 4 SER CB C 13 63.907 0.300 . 1 . . . . 203 SER CB . 19766 1 1484 . 2 2 4 4 SER N N 15 117.090 0.300 . 1 . . . . 203 SER N . 19766 1 1485 . 2 2 5 5 GLN H H 1 8.322 0.020 . 1 . . . . 204 GLN HN . 19766 1 1486 . 2 2 5 5 GLN HA H 1 4.268 0.002 . 1 . . . . 204 GLN HA . 19766 1 1487 . 2 2 5 5 GLN HB2 H 1 1.864 0.002 . 2 . . . . 204 GLN HB2 . 19766 1 1488 . 2 2 5 5 GLN HB3 H 1 1.949 0.002 . 2 . . . . 204 GLN HB3 . 19766 1 1489 . 2 2 5 5 GLN HG2 H 1 2.173 0.004 . 2 . . . . 204 GLN HG2 . 19766 1 1490 . 2 2 5 5 GLN HG3 H 1 2.173 0.004 . 2 . . . . 204 GLN HG3 . 19766 1 1491 . 2 2 5 5 GLN HE21 H 1 6.793 0.020 . 2 . . . . 204 GLN HE21 . 19766 1 1492 . 2 2 5 5 GLN HE22 H 1 7.402 0.020 . 2 . . . . 204 GLN HE22 . 19766 1 1493 . 2 2 5 5 GLN CA C 13 56.034 0.062 . 1 . . . . 204 GLN CA . 19766 1 1494 . 2 2 5 5 GLN CB C 13 29.646 0.035 . 1 . . . . 204 GLN CB . 19766 1 1495 . 2 2 5 5 GLN CG C 13 33.757 0.066 . 1 . . . . 204 GLN CG . 19766 1 1496 . 2 2 5 5 GLN N N 15 122.029 0.300 . 1 . . . . 204 GLN N . 19766 1 1497 . 2 2 5 5 GLN NE2 N 15 112.050 0.001 . 1 . . . . 204 GLN NE2 . 19766 1 1498 . 2 2 6 6 TYR H H 1 8.043 0.002 . 1 . . . . 205 TYR HN . 19766 1 1499 . 2 2 6 6 TYR HA H 1 4.694 0.020 . 1 . . . . 205 TYR HA . 19766 1 1500 . 2 2 6 6 TYR HB2 H 1 2.880 0.003 . 2 . . . . 205 TYR HB2 . 19766 1 1501 . 2 2 6 6 TYR HB3 H 1 3.121 0.005 . 2 . . . . 205 TYR HB3 . 19766 1 1502 . 2 2 6 6 TYR HD1 H 1 7.111 0.003 . 3 . . . . 205 TYR QD . 19766 1 1503 . 2 2 6 6 TYR HD2 H 1 7.111 0.003 . 3 . . . . 205 TYR QD . 19766 1 1504 . 2 2 6 6 TYR HE1 H 1 6.828 0.002 . 3 . . . . 205 TYR QE . 19766 1 1505 . 2 2 6 6 TYR HE2 H 1 6.828 0.002 . 3 . . . . 205 TYR QE . 19766 1 1506 . 2 2 6 6 TYR CA C 13 57.869 0.300 . 1 . . . . 205 TYR CA . 19766 1 1507 . 2 2 6 6 TYR CB C 13 39.166 0.073 . 1 . . . . 205 TYR CB . 19766 1 1508 . 2 2 6 6 TYR CD1 C 13 133.271 0.081 . 3 . . . . 205 TYR CD1 . 19766 1 1509 . 2 2 6 6 TYR CD2 C 13 133.271 0.081 . 3 . . . . 205 TYR CD2 . 19766 1 1510 . 2 2 6 6 TYR CE1 C 13 118.421 0.095 . 3 . . . . 205 TYR CE1 . 19766 1 1511 . 2 2 6 6 TYR CE2 C 13 118.421 0.095 . 3 . . . . 205 TYR CE2 . 19766 1 1512 . 2 2 6 6 TYR N N 15 120.609 0.072 . 1 . . . . 205 TYR N . 19766 1 1513 . 2 2 7 7 ILE H H 1 7.987 0.001 . 1 . . . . 206 ILE HN . 19766 1 1514 . 2 2 7 7 ILE HA H 1 4.205 0.001 . 1 . . . . 206 ILE HA . 19766 1 1515 . 2 2 7 7 ILE HB H 1 1.786 0.004 . 1 . . . . 206 ILE HB . 19766 1 1516 . 2 2 7 7 ILE HG12 H 1 1.335 0.002 . 2 . . . . 206 ILE HG12 . 19766 1 1517 . 2 2 7 7 ILE HG13 H 1 1.130 0.003 . 2 . . . . 206 ILE HG13 . 19766 1 1518 . 2 2 7 7 ILE HG21 H 1 0.814 0.005 . 1 . . . . 206 ILE QG2 . 19766 1 1519 . 2 2 7 7 ILE HG22 H 1 0.814 0.005 . 1 . . . . 206 ILE QG2 . 19766 1 1520 . 2 2 7 7 ILE HG23 H 1 0.814 0.005 . 1 . . . . 206 ILE QG2 . 19766 1 1521 . 2 2 7 7 ILE HD11 H 1 0.731 0.007 . 1 . . . . 206 ILE QD1 . 19766 1 1522 . 2 2 7 7 ILE HD12 H 1 0.731 0.007 . 1 . . . . 206 ILE QD1 . 19766 1 1523 . 2 2 7 7 ILE HD13 H 1 0.731 0.007 . 1 . . . . 206 ILE QD1 . 19766 1 1524 . 2 2 7 7 ILE CA C 13 60.443 0.029 . 1 . . . . 206 ILE CA . 19766 1 1525 . 2 2 7 7 ILE CB C 13 39.373 0.049 . 1 . . . . 206 ILE CB . 19766 1 1526 . 2 2 7 7 ILE CG1 C 13 27.023 0.300 . 1 . . . . 206 ILE CG1 . 19766 1 1527 . 2 2 7 7 ILE CG2 C 13 17.588 0.064 . 1 . . . . 206 ILE CG2 . 19766 1 1528 . 2 2 7 7 ILE CD1 C 13 13.031 0.036 . 1 . . . . 206 ILE CD1 . 19766 1 1529 . 2 2 7 7 ILE N N 15 121.494 0.080 . 1 . . . . 206 ILE N . 19766 1 1530 . 2 2 8 8 ASP H H 1 8.286 0.001 . 1 . . . . 207 ASP HN . 19766 1 1531 . 2 2 8 8 ASP HA H 1 4.724 0.020 . 1 . . . . 207 ASP HA . 19766 1 1532 . 2 2 8 8 ASP HB2 H 1 2.595 0.008 . 2 . . . . 207 ASP HB2 . 19766 1 1533 . 2 2 8 8 ASP HB3 H 1 2.502 0.007 . 2 . . . . 207 ASP HB3 . 19766 1 1534 . 2 2 8 8 ASP CA C 13 53.874 0.300 . 1 . . . . 207 ASP CA . 19766 1 1535 . 2 2 8 8 ASP CB C 13 41.509 0.062 . 1 . . . . 207 ASP CB . 19766 1 1536 . 2 2 8 8 ASP N N 15 124.796 0.074 . 1 . . . . 207 ASP N . 19766 1 1537 . 2 2 9 9 ILE H H 1 7.925 0.003 . 1 . . . . 208 ILE HN . 19766 1 1538 . 2 2 9 9 ILE HA H 1 4.070 0.004 . 1 . . . . 208 ILE HA . 19766 1 1539 . 2 2 9 9 ILE HB H 1 1.771 0.006 . 1 . . . . 208 ILE HB . 19766 1 1540 . 2 2 9 9 ILE HG12 H 1 1.149 0.008 . 2 . . . . 208 ILE HG12 . 19766 1 1541 . 2 2 9 9 ILE HG13 H 1 1.429 0.008 . 2 . . . . 208 ILE HG13 . 19766 1 1542 . 2 2 9 9 ILE HG21 H 1 0.707 0.012 . 1 . . . . 208 ILE QG2 . 19766 1 1543 . 2 2 9 9 ILE HG22 H 1 0.707 0.012 . 1 . . . . 208 ILE QG2 . 19766 1 1544 . 2 2 9 9 ILE HG23 H 1 0.707 0.012 . 1 . . . . 208 ILE QG2 . 19766 1 1545 . 2 2 9 9 ILE HD11 H 1 0.664 0.012 . 1 . . . . 208 ILE QD1 . 19766 1 1546 . 2 2 9 9 ILE HD12 H 1 0.664 0.012 . 1 . . . . 208 ILE QD1 . 19766 1 1547 . 2 2 9 9 ILE HD13 H 1 0.664 0.012 . 1 . . . . 208 ILE QD1 . 19766 1 1548 . 2 2 9 9 ILE CA C 13 60.993 0.060 . 1 . . . . 208 ILE CA . 19766 1 1549 . 2 2 9 9 ILE CB C 13 37.487 0.071 . 1 . . . . 208 ILE CB . 19766 1 1550 . 2 2 9 9 ILE CG1 C 13 27.324 0.060 . 1 . . . . 208 ILE CG1 . 19766 1 1551 . 2 2 9 9 ILE CG2 C 13 18.729 0.075 . 1 . . . . 208 ILE CG2 . 19766 1 1552 . 2 2 9 9 ILE CD1 C 13 12.476 0.044 . 1 . . . . 208 ILE CD1 . 19766 1 1553 . 2 2 9 9 ILE N N 15 123.931 0.049 . 1 . . . . 208 ILE N . 19766 1 1554 . 2 2 10 10 MET H H 1 8.011 0.002 . 1 . . . . 209 MET HN . 19766 1 1555 . 2 2 10 10 MET HA H 1 5.228 0.005 . 1 . . . . 209 MET HA . 19766 1 1556 . 2 2 10 10 MET HB2 H 1 1.830 0.004 . 2 . . . . 209 MET HB2 . 19766 1 1557 . 2 2 10 10 MET HB3 H 1 1.970 0.004 . 2 . . . . 209 MET HB3 . 19766 1 1558 . 2 2 10 10 MET HG2 H 1 2.337 0.005 . 2 . . . . 209 MET HG2 . 19766 1 1559 . 2 2 10 10 MET HG3 H 1 2.681 0.004 . 2 . . . . 209 MET HG3 . 19766 1 1560 . 2 2 10 10 MET HE1 H 1 2.099 0.009 . 1 . . . . 209 MET QE . 19766 1 1561 . 2 2 10 10 MET HE2 H 1 2.099 0.009 . 1 . . . . 209 MET QE . 19766 1 1562 . 2 2 10 10 MET HE3 H 1 2.099 0.009 . 1 . . . . 209 MET QE . 19766 1 1563 . 2 2 10 10 MET CA C 13 51.564 0.056 . 1 . . . . 209 MET CA . 19766 1 1564 . 2 2 10 10 MET CB C 13 35.641 0.048 . 1 . . . . 209 MET CB . 19766 1 1565 . 2 2 10 10 MET CG C 13 33.333 0.066 . 1 . . . . 209 MET CG . 19766 1 1566 . 2 2 10 10 MET CE C 13 18.435 0.046 . 1 . . . . 209 MET CE . 19766 1 1567 . 2 2 10 10 MET N N 15 124.723 0.068 . 1 . . . . 209 MET N . 19766 1 1568 . 2 2 11 11 PRO HA H 1 4.550 0.006 . 1 . . . . 210 PRO HA . 19766 1 1569 . 2 2 11 11 PRO HG2 H 1 1.723 0.011 . 2 . . . . 210 PRO HG2 . 19766 1 1570 . 2 2 11 11 PRO HG3 H 1 1.447 0.007 . 2 . . . . 210 PRO HG3 . 19766 1 1571 . 2 2 11 11 PRO HD2 H 1 3.640 0.011 . 2 . . . . 210 PRO HD2 . 19766 1 1572 . 2 2 11 11 PRO HD3 H 1 3.029 0.008 . 2 . . . . 210 PRO HD3 . 19766 1 1573 . 2 2 11 11 PRO CA C 13 62.017 0.300 . 1 . . . . 210 PRO CA . 19766 1 1574 . 2 2 11 11 PRO CB C 13 31.891 0.112 . 1 . . . . 210 PRO CB . 19766 1 1575 . 2 2 11 11 PRO CG C 13 27.335 0.067 . 1 . . . . 210 PRO CG . 19766 1 1576 . 2 2 11 11 PRO CD C 13 49.373 0.070 . 1 . . . . 210 PRO CD . 19766 1 1577 . 2 2 12 12 ASP H H 1 8.020 0.003 . 1 . . . . 211 ASP HN . 19766 1 1578 . 2 2 12 12 ASP HA H 1 5.238 0.008 . 1 . . . . 211 ASP HA . 19766 1 1579 . 2 2 12 12 ASP HB2 H 1 2.476 0.013 . 2 . . . . 211 ASP HB2 . 19766 1 1580 . 2 2 12 12 ASP HB3 H 1 2.783 0.009 . 2 . . . . 211 ASP HB3 . 19766 1 1581 . 2 2 12 12 ASP CA C 13 52.828 0.300 . 1 . . . . 211 ASP CA . 19766 1 1582 . 2 2 12 12 ASP CB C 13 42.198 0.049 . 1 . . . . 211 ASP CB . 19766 1 1583 . 2 2 12 12 ASP N N 15 120.044 0.072 . 1 . . . . 211 ASP N . 19766 1 1584 . 2 2 13 13 PHE H H 1 8.797 0.002 . 1 . . . . 212 PHE HN . 19766 1 1585 . 2 2 13 13 PHE HA H 1 4.274 0.009 . 1 . . . . 212 PHE HA . 19766 1 1586 . 2 2 13 13 PHE HD1 H 1 7.081 0.006 . 3 . . . . 212 PHE QD . 19766 1 1587 . 2 2 13 13 PHE HD2 H 1 7.081 0.006 . 3 . . . . 212 PHE QD . 19766 1 1588 . 2 2 13 13 PHE HE1 H 1 6.978 0.011 . 3 . . . . 212 PHE QE . 19766 1 1589 . 2 2 13 13 PHE HE2 H 1 6.978 0.011 . 3 . . . . 212 PHE QE . 19766 1 1590 . 2 2 13 13 PHE HZ H 1 6.996 0.008 . 1 . . . . 212 PHE HZ . 19766 1 1591 . 2 2 13 13 PHE CA C 13 58.996 0.083 . 1 . . . . 212 PHE CA . 19766 1 1592 . 2 2 13 13 PHE CB C 13 38.307 0.072 . 1 . . . . 212 PHE CB . 19766 1 1593 . 2 2 13 13 PHE CD1 C 13 131.646 0.074 . 3 . . . . 212 PHE CD1 . 19766 1 1594 . 2 2 13 13 PHE CD2 C 13 131.646 0.074 . 3 . . . . 212 PHE CD2 . 19766 1 1595 . 2 2 13 13 PHE CE1 C 13 130.441 0.095 . 3 . . . . 212 PHE CE1 . 19766 1 1596 . 2 2 13 13 PHE CE2 C 13 130.441 0.095 . 3 . . . . 212 PHE CE2 . 19766 1 1597 . 2 2 13 13 PHE CZ C 13 128.746 0.088 . 1 . . . . 212 PHE CZ . 19766 1 1598 . 2 2 13 13 PHE N N 15 121.307 0.110 . 1 . . . . 212 PHE N . 19766 1 1599 . 2 2 14 14 SER H H 1 8.795 0.004 . 1 . . . . 213 SER HN . 19766 1 1600 . 2 2 14 14 SER HA H 1 4.703 0.020 . 1 . . . . 213 SER HA . 19766 1 1601 . 2 2 14 14 SER HB2 H 1 4.071 0.002 . 2 . . . . 213 SER HB2 . 19766 1 1602 . 2 2 14 14 SER HB3 H 1 3.940 0.002 . 2 . . . . 213 SER HB3 . 19766 1 1603 . 2 2 14 14 SER CA C 13 57.398 0.300 . 1 . . . . 213 SER CA . 19766 1 1604 . 2 2 14 14 SER CB C 13 62.865 0.047 . 1 . . . . 213 SER CB . 19766 1 1605 . 2 2 14 14 SER N N 15 121.542 0.103 . 1 . . . . 213 SER N . 19766 1 1606 . 2 2 15 15 PRO HB2 H 1 1.879 0.004 . 2 . . . . 214 PRO HB2 . 19766 1 1607 . 2 2 15 15 PRO HB3 H 1 2.417 0.002 . 2 . . . . 214 PRO HB3 . 19766 1 1608 . 2 2 15 15 PRO HG2 H 1 2.075 0.004 . 2 . . . . 214 PRO HG2 . 19766 1 1609 . 2 2 15 15 PRO HG3 H 1 2.142 0.003 . 2 . . . . 214 PRO HG3 . 19766 1 1610 . 2 2 15 15 PRO HD2 H 1 3.733 0.006 . 2 . . . . 214 PRO HD2 . 19766 1 1611 . 2 2 15 15 PRO HD3 H 1 3.889 0.005 . 2 . . . . 214 PRO HD3 . 19766 1 1612 . 2 2 15 15 PRO CA C 13 62.239 0.300 . 1 . . . . 214 PRO CA . 19766 1 1613 . 2 2 15 15 PRO CB C 13 32.117 0.034 . 1 . . . . 214 PRO CB . 19766 1 1614 . 2 2 15 15 PRO CG C 13 27.432 0.035 . 1 . . . . 214 PRO CG . 19766 1 1615 . 2 2 15 15 PRO CD C 13 50.425 0.044 . 1 . . . . 214 PRO CD . 19766 1 1616 . 2 2 16 16 SER H H 1 9.203 0.007 . 1 . . . . 215 SER HN . 19766 1 1617 . 2 2 16 16 SER HA H 1 4.255 0.005 . 1 . . . . 215 SER HA . 19766 1 1618 . 2 2 16 16 SER HB2 H 1 4.527 0.012 . 2 . . . . 215 SER HB2 . 19766 1 1619 . 2 2 16 16 SER HB3 H 1 3.805 0.008 . 2 . . . . 215 SER HB3 . 19766 1 1620 . 2 2 16 16 SER HG H 1 6.962 0.006 . 1 . . . . 215 SER HG . 19766 1 1621 . 2 2 16 16 SER CA C 13 60.774 0.058 . 1 . . . . 215 SER CA . 19766 1 1622 . 2 2 16 16 SER CB C 13 64.715 0.102 . 1 . . . . 215 SER CB . 19766 1 1623 . 2 2 16 16 SER N N 15 119.486 0.068 . 1 . . . . 215 SER N . 19766 1 1624 . 2 2 17 17 GLY H H 1 9.055 0.006 . 1 . . . . 216 GLY HN . 19766 1 1625 . 2 2 17 17 GLY HA2 H 1 3.675 0.003 . 2 . . . . 216 GLY HA2 . 19766 1 1626 . 2 2 17 17 GLY HA3 H 1 4.552 0.003 . 2 . . . . 216 GLY HA3 . 19766 1 1627 . 2 2 17 17 GLY CA C 13 45.019 0.076 . 1 . . . . 216 GLY CA . 19766 1 1628 . 2 2 17 17 GLY N N 15 111.533 0.094 . 1 . . . . 216 GLY N . 19766 1 1629 . 2 2 18 18 LEU H H 1 8.664 0.007 . 1 . . . . 217 LEU HN . 19766 1 1630 . 2 2 18 18 LEU HA H 1 4.057 0.008 . 1 . . . . 217 LEU HA . 19766 1 1631 . 2 2 18 18 LEU HB2 H 1 1.587 0.012 . 2 . . . . 217 LEU HB2 . 19766 1 1632 . 2 2 18 18 LEU HB3 H 1 1.295 0.009 . 2 . . . . 217 LEU HB3 . 19766 1 1633 . 2 2 18 18 LEU HG H 1 1.620 0.008 . 1 . . . . 217 LEU HG . 19766 1 1634 . 2 2 18 18 LEU HD11 H 1 0.757 0.011 . 2 . . . . 217 LEU QD1 . 19766 1 1635 . 2 2 18 18 LEU HD12 H 1 0.757 0.011 . 2 . . . . 217 LEU QD1 . 19766 1 1636 . 2 2 18 18 LEU HD13 H 1 0.757 0.011 . 2 . . . . 217 LEU QD1 . 19766 1 1637 . 2 2 18 18 LEU HD21 H 1 0.778 0.010 . 2 . . . . 217 LEU QD2 . 19766 1 1638 . 2 2 18 18 LEU HD22 H 1 0.778 0.010 . 2 . . . . 217 LEU QD2 . 19766 1 1639 . 2 2 18 18 LEU HD23 H 1 0.778 0.010 . 2 . . . . 217 LEU QD2 . 19766 1 1640 . 2 2 18 18 LEU CA C 13 57.839 0.042 . 1 . . . . 217 LEU CA . 19766 1 1641 . 2 2 18 18 LEU CB C 13 42.315 0.070 . 1 . . . . 217 LEU CB . 19766 1 1642 . 2 2 18 18 LEU CG C 13 28.429 0.084 . 1 . . . . 217 LEU CG . 19766 1 1643 . 2 2 18 18 LEU CD1 C 13 25.347 0.062 . 2 . . . . 217 LEU CD1 . 19766 1 1644 . 2 2 18 18 LEU CD2 C 13 24.088 0.065 . 2 . . . . 217 LEU CD2 . 19766 1 1645 . 2 2 18 18 LEU N N 15 122.567 0.085 . 1 . . . . 217 LEU N . 19766 1 1646 . 2 2 19 19 LEU H H 1 8.392 0.003 . 1 . . . . 218 LEU HN . 19766 1 1647 . 2 2 19 19 LEU HA H 1 4.137 0.003 . 1 . . . . 218 LEU HA . 19766 1 1648 . 2 2 19 19 LEU HB2 H 1 1.422 0.003 . 2 . . . . 218 LEU HB2 . 19766 1 1649 . 2 2 19 19 LEU HB3 H 1 1.875 0.002 . 2 . . . . 218 LEU HB3 . 19766 1 1650 . 2 2 19 19 LEU HG H 1 1.620 0.008 . 1 . . . . 218 LEU HG . 19766 1 1651 . 2 2 19 19 LEU HD11 H 1 0.785 0.008 . 2 . . . . 218 LEU QD1 . 19766 1 1652 . 2 2 19 19 LEU HD12 H 1 0.785 0.008 . 2 . . . . 218 LEU QD1 . 19766 1 1653 . 2 2 19 19 LEU HD13 H 1 0.785 0.008 . 2 . . . . 218 LEU QD1 . 19766 1 1654 . 2 2 19 19 LEU HD21 H 1 1.059 0.010 . 2 . . . . 218 LEU QD2 . 19766 1 1655 . 2 2 19 19 LEU HD22 H 1 1.059 0.010 . 2 . . . . 218 LEU QD2 . 19766 1 1656 . 2 2 19 19 LEU HD23 H 1 1.059 0.010 . 2 . . . . 218 LEU QD2 . 19766 1 1657 . 2 2 19 19 LEU CA C 13 56.804 0.074 . 1 . . . . 218 LEU CA . 19766 1 1658 . 2 2 19 19 LEU CB C 13 40.124 0.055 . 1 . . . . 218 LEU CB . 19766 1 1659 . 2 2 19 19 LEU CG C 13 27.292 0.020 . 1 . . . . 218 LEU CG . 19766 1 1660 . 2 2 19 19 LEU CD1 C 13 22.481 0.062 . 2 . . . . 218 LEU CD1 . 19766 1 1661 . 2 2 19 19 LEU CD2 C 13 25.986 0.073 . 2 . . . . 218 LEU CD2 . 19766 1 1662 . 2 2 19 19 LEU N N 15 115.364 0.061 . 1 . . . . 218 LEU N . 19766 1 1663 . 2 2 20 20 GLU H H 1 7.747 0.005 . 1 . . . . 219 GLU HN . 19766 1 1664 . 2 2 20 20 GLU HA H 1 4.192 0.006 . 1 . . . . 219 GLU HA . 19766 1 1665 . 2 2 20 20 GLU HB2 H 1 2.091 0.006 . 2 . . . . 219 GLU HB2 . 19766 1 1666 . 2 2 20 20 GLU HB3 H 1 1.975 0.005 . 2 . . . . 219 GLU HB3 . 19766 1 1667 . 2 2 20 20 GLU HG2 H 1 2.283 0.003 . 2 . . . . 219 GLU HG2 . 19766 1 1668 . 2 2 20 20 GLU HG3 H 1 2.239 0.005 . 2 . . . . 219 GLU HG3 . 19766 1 1669 . 2 2 20 20 GLU CA C 13 57.611 0.052 . 1 . . . . 219 GLU CA . 19766 1 1670 . 2 2 20 20 GLU CB C 13 29.913 0.038 . 1 . . . . 219 GLU CB . 19766 1 1671 . 2 2 20 20 GLU CG C 13 36.830 0.039 . 1 . . . . 219 GLU CG . 19766 1 1672 . 2 2 20 20 GLU N N 15 118.357 0.095 . 1 . . . . 219 GLU N . 19766 1 1673 . 2 2 21 21 LEU H H 1 7.426 0.003 . 1 . . . . 220 LEU HN . 19766 1 1674 . 2 2 21 21 LEU HA H 1 4.328 0.002 . 1 . . . . 220 LEU HA . 19766 1 1675 . 2 2 21 21 LEU HB2 H 1 1.645 0.004 . 2 . . . . 220 LEU HB2 . 19766 1 1676 . 2 2 21 21 LEU HB3 H 1 1.755 0.004 . 2 . . . . 220 LEU HB3 . 19766 1 1677 . 2 2 21 21 LEU HG H 1 1.729 0.004 . 1 . . . . 220 LEU HG . 19766 1 1678 . 2 2 21 21 LEU HD11 H 1 0.917 0.007 . 2 . . . . 220 LEU QD1 . 19766 1 1679 . 2 2 21 21 LEU HD12 H 1 0.917 0.007 . 2 . . . . 220 LEU QD1 . 19766 1 1680 . 2 2 21 21 LEU HD13 H 1 0.917 0.007 . 2 . . . . 220 LEU QD1 . 19766 1 1681 . 2 2 21 21 LEU HD21 H 1 0.865 0.009 . 2 . . . . 220 LEU QD2 . 19766 1 1682 . 2 2 21 21 LEU HD22 H 1 0.865 0.009 . 2 . . . . 220 LEU QD2 . 19766 1 1683 . 2 2 21 21 LEU HD23 H 1 0.865 0.009 . 2 . . . . 220 LEU QD2 . 19766 1 1684 . 2 2 21 21 LEU CA C 13 55.462 0.043 . 1 . . . . 220 LEU CA . 19766 1 1685 . 2 2 21 21 LEU CB C 13 42.652 0.042 . 1 . . . . 220 LEU CB . 19766 1 1686 . 2 2 21 21 LEU CG C 13 27.018 0.012 . 1 . . . . 220 LEU CG . 19766 1 1687 . 2 2 21 21 LEU CD1 C 13 25.219 0.051 . 2 . . . . 220 LEU CD1 . 19766 1 1688 . 2 2 21 21 LEU CD2 C 13 23.272 0.030 . 2 . . . . 220 LEU CD2 . 19766 1 1689 . 2 2 21 21 LEU N N 15 119.872 0.077 . 1 . . . . 220 LEU N . 19766 1 1690 . 2 2 22 22 GLU H H 1 7.877 0.002 . 1 . . . . 221 GLU HN . 19766 1 1691 . 2 2 22 22 GLU HA H 1 4.364 0.002 . 1 . . . . 221 GLU HA . 19766 1 1692 . 2 2 22 22 GLU HB2 H 1 1.961 0.004 . 2 . . . . 221 GLU HB2 . 19766 1 1693 . 2 2 22 22 GLU HB3 H 1 2.192 0.007 . 2 . . . . 221 GLU HB3 . 19766 1 1694 . 2 2 22 22 GLU HG2 H 1 2.337 0.003 . 2 . . . . 221 GLU HG2 . 19766 1 1695 . 2 2 22 22 GLU HG3 H 1 2.287 0.002 . 2 . . . . 221 GLU HG3 . 19766 1 1696 . 2 2 22 22 GLU CA C 13 56.543 0.019 . 1 . . . . 221 GLU CA . 19766 1 1697 . 2 2 22 22 GLU CB C 13 30.587 0.032 . 1 . . . . 221 GLU CB . 19766 1 1698 . 2 2 22 22 GLU CG C 13 36.551 0.091 . 1 . . . . 221 GLU CG . 19766 1 1699 . 2 2 22 22 GLU N N 15 120.204 0.022 . 1 . . . . 221 GLU N . 19766 1 1700 . 2 2 23 23 SER H H 1 7.778 0.002 . 1 . . . . 222 SER HN . 19766 1 1701 . 2 2 23 23 SER HA H 1 4.268 0.001 . 1 . . . . 222 SER HA . 19766 1 1702 . 2 2 23 23 SER HB2 H 1 3.837 0.003 . 2 . . . . 222 SER HB2 . 19766 1 1703 . 2 2 23 23 SER HB3 H 1 3.837 0.003 . 2 . . . . 222 SER HB3 . 19766 1 1704 . 2 2 23 23 SER CA C 13 60.052 0.010 . 1 . . . . 222 SER CA . 19766 1 1705 . 2 2 23 23 SER CB C 13 65.029 0.128 . 1 . . . . 222 SER CB . 19766 1 1706 . 2 2 23 23 SER N N 15 121.985 0.038 . 1 . . . . 222 SER N . 19766 1 1707 . 3 3 1 1 GLY HA2 H 1 3.796 0.020 . 2 . . . . 300 GLY HA2 . 19766 1 1708 . 3 3 1 1 GLY HA3 H 1 3.796 0.020 . 2 . . . . 300 GLY HA3 . 19766 1 1709 . 3 3 1 1 GLY CA C 13 43.929 0.300 . 1 . . . . 300 GLY CA . 19766 1 1710 . 3 3 2 2 SER HA H 1 4.408 0.003 . 1 . . . . 301 SER HA . 19766 1 1711 . 3 3 2 2 SER CA C 13 58.601 0.033 . 1 . . . . 301 SER CA . 19766 1 1712 . 3 3 2 2 SER CB C 13 63.867 0.074 . 1 . . . . 301 SER CB . 19766 1 1713 . 3 3 3 3 TYR H H 1 8.236 0.003 . 1 . . . . 302 TYR HN . 19766 1 1714 . 3 3 3 3 TYR HA H 1 4.622 0.002 . 1 . . . . 302 TYR HA . 19766 1 1715 . 3 3 3 3 TYR HB2 H 1 3.125 0.003 . 2 . . . . 302 TYR HB2 . 19766 1 1716 . 3 3 3 3 TYR HB3 H 1 2.911 0.003 . 2 . . . . 302 TYR HB3 . 19766 1 1717 . 3 3 3 3 TYR HD2 H 1 7.125 0.008 . 3 . . . . 302 TYR HD2 . 19766 1 1718 . 3 3 3 3 TYR CA C 13 57.632 0.010 . 1 . . . . 302 TYR CA . 19766 1 1719 . 3 3 3 3 TYR CB C 13 38.567 0.044 . 1 . . . . 302 TYR CB . 19766 1 1720 . 3 3 3 3 TYR CD2 C 13 133.395 0.029 . 3 . . . . 302 TYR CD2 . 19766 1 1721 . 3 3 3 3 TYR CE2 C 13 118.358 0.008 . 3 . . . . 302 TYR CE2 . 19766 1 1722 . 3 3 3 3 TYR N N 15 121.242 0.022 . 1 . . . . 302 TYR N . 19766 1 1723 . 3 3 4 4 ASP H H 1 8.130 0.001 . 1 . . . . 303 ASP HN . 19766 1 1724 . 3 3 4 4 ASP HA H 1 4.573 0.005 . 1 . . . . 303 ASP HA . 19766 1 1725 . 3 3 4 4 ASP HB2 H 1 2.630 0.006 . 2 . . . . 303 ASP HB2 . 19766 1 1726 . 3 3 4 4 ASP HB3 H 1 2.570 0.008 . 2 . . . . 303 ASP HB3 . 19766 1 1727 . 3 3 4 4 ASP CA C 13 54.345 0.012 . 1 . . . . 303 ASP CA . 19766 1 1728 . 3 3 4 4 ASP CB C 13 41.241 0.022 . 1 . . . . 303 ASP CB . 19766 1 1729 . 3 3 4 4 ASP N N 15 121.485 0.020 . 1 . . . . 303 ASP N . 19766 1 1730 . 3 3 5 5 LYS H H 1 7.895 0.003 . 1 . . . . 304 LYS HN . 19766 1 1731 . 3 3 5 5 LYS HA H 1 4.598 0.003 . 1 . . . . 304 LYS HA . 19766 1 1732 . 3 3 5 5 LYS HB2 H 1 1.677 0.010 . 2 . . . . 304 LYS HB2 . 19766 1 1733 . 3 3 5 5 LYS HB3 H 1 1.811 0.002 . 2 . . . . 304 LYS HB3 . 19766 1 1734 . 3 3 5 5 LYS HG2 H 1 1.421 0.005 . 2 . . . . 304 LYS HG2 . 19766 1 1735 . 3 3 5 5 LYS HG3 H 1 1.421 0.005 . 2 . . . . 304 LYS HG3 . 19766 1 1736 . 3 3 5 5 LYS HD2 H 1 1.666 0.004 . 2 . . . . 304 LYS HD2 . 19766 1 1737 . 3 3 5 5 LYS HD3 H 1 1.666 0.004 . 2 . . . . 304 LYS HD3 . 19766 1 1738 . 3 3 5 5 LYS HE2 H 1 2.985 0.002 . 2 . . . . 304 LYS HE2 . 19766 1 1739 . 3 3 5 5 LYS HE3 H 1 2.985 0.002 . 2 . . . . 304 LYS HE3 . 19766 1 1740 . 3 3 5 5 LYS CA C 13 53.967 0.025 . 1 . . . . 304 LYS CA . 19766 1 1741 . 3 3 5 5 LYS CB C 13 32.798 0.038 . 1 . . . . 304 LYS CB . 19766 1 1742 . 3 3 5 5 LYS CG C 13 24.427 0.036 . 1 . . . . 304 LYS CG . 19766 1 1743 . 3 3 5 5 LYS CD C 13 29.141 0.046 . 1 . . . . 304 LYS CD . 19766 1 1744 . 3 3 5 5 LYS CE C 13 42.185 0.009 . 1 . . . . 304 LYS CE . 19766 1 1745 . 3 3 5 5 LYS N N 15 121.726 0.036 . 1 . . . . 304 LYS N . 19766 1 1746 . 3 3 6 6 PRO HA H 1 4.427 0.004 . 1 . . . . 305 PRO HA . 19766 1 1747 . 3 3 6 6 PRO HB2 H 1 2.283 0.001 . 2 . . . . 305 PRO HB2 . 19766 1 1748 . 3 3 6 6 PRO HB3 H 1 1.906 0.004 . 2 . . . . 305 PRO HB3 . 19766 1 1749 . 3 3 6 6 PRO HG2 H 1 2.002 0.001 . 2 . . . . 305 PRO HG2 . 19766 1 1750 . 3 3 6 6 PRO HG3 H 1 2.033 0.001 . 2 . . . . 305 PRO HG3 . 19766 1 1751 . 3 3 6 6 PRO HD2 H 1 3.772 0.004 . 2 . . . . 305 PRO HD2 . 19766 1 1752 . 3 3 6 6 PRO HD3 H 1 3.625 0.002 . 2 . . . . 305 PRO HD3 . 19766 1 1753 . 3 3 6 6 PRO CA C 13 62.993 0.039 . 1 . . . . 305 PRO CA . 19766 1 1754 . 3 3 6 6 PRO CB C 13 32.083 0.039 . 1 . . . . 305 PRO CB . 19766 1 1755 . 3 3 6 6 PRO CG C 13 27.316 0.022 . 1 . . . . 305 PRO CG . 19766 1 1756 . 3 3 6 6 PRO CD C 13 50.603 0.032 . 1 . . . . 305 PRO CD . 19766 1 1757 . 3 3 7 7 ALA H H 1 8.255 0.003 . 1 . . . . 306 ALA HN . 19766 1 1758 . 3 3 7 7 ALA HA H 1 4.596 0.003 . 1 . . . . 306 ALA HA . 19766 1 1759 . 3 3 7 7 ALA HB1 H 1 1.318 0.003 . 1 . . . . 306 ALA QB . 19766 1 1760 . 3 3 7 7 ALA HB2 H 1 1.318 0.003 . 1 . . . . 306 ALA QB . 19766 1 1761 . 3 3 7 7 ALA HB3 H 1 1.318 0.003 . 1 . . . . 306 ALA QB . 19766 1 1762 . 3 3 7 7 ALA CA C 13 50.070 0.061 . 1 . . . . 306 ALA CA . 19766 1 1763 . 3 3 7 7 ALA CB C 13 18.496 0.031 . 1 . . . . 306 ALA CB . 19766 1 1764 . 3 3 7 7 ALA N N 15 124.947 0.036 . 1 . . . . 306 ALA N . 19766 1 1765 . 3 3 8 8 PRO HA H 1 4.355 0.004 . 1 . . . . 307 PRO HA . 19766 1 1766 . 3 3 8 8 PRO HB2 H 1 1.752 0.015 . 2 . . . . 307 PRO HB2 . 19766 1 1767 . 3 3 8 8 PRO HB3 H 1 2.126 0.003 . 2 . . . . 307 PRO HB3 . 19766 1 1768 . 3 3 8 8 PRO HG2 H 1 1.790 0.009 . 2 . . . . 307 PRO HG2 . 19766 1 1769 . 3 3 8 8 PRO HG3 H 1 1.748 0.004 . 2 . . . . 307 PRO HG3 . 19766 1 1770 . 3 3 8 8 PRO HD2 H 1 3.735 0.005 . 2 . . . . 307 PRO HD2 . 19766 1 1771 . 3 3 8 8 PRO HD3 H 1 3.449 0.004 . 2 . . . . 307 PRO HD3 . 19766 1 1772 . 3 3 8 8 PRO CA C 13 62.776 0.035 . 1 . . . . 307 PRO CA . 19766 1 1773 . 3 3 8 8 PRO CB C 13 31.899 0.036 . 1 . . . . 307 PRO CB . 19766 1 1774 . 3 3 8 8 PRO CG C 13 27.251 0.039 . 1 . . . . 307 PRO CG . 19766 1 1775 . 3 3 8 8 PRO CD C 13 50.206 0.032 . 1 . . . . 307 PRO CD . 19766 1 1776 . 3 3 9 9 GLU H H 1 8.464 0.008 . 1 . . . . 308 GLU HN . 19766 1 1777 . 3 3 9 9 GLU HA H 1 4.176 0.003 . 1 . . . . 308 GLU HA . 19766 1 1778 . 3 3 9 9 GLU HB2 H 1 1.878 0.020 . 2 . . . . 308 GLU HB2 . 19766 1 1779 . 3 3 9 9 GLU HB3 H 1 1.804 0.003 . 2 . . . . 308 GLU HB3 . 19766 1 1780 . 3 3 9 9 GLU HG2 H 1 2.098 0.020 . 2 . . . . 308 GLU HG2 . 19766 1 1781 . 3 3 9 9 GLU HG3 H 1 2.232 0.020 . 2 . . . . 308 GLU HG3 . 19766 1 1782 . 3 3 9 9 GLU CA C 13 56.135 0.049 . 1 . . . . 308 GLU CA . 19766 1 1783 . 3 3 9 9 GLU CB C 13 30.091 0.041 . 1 . . . . 308 GLU CB . 19766 1 1784 . 3 3 9 9 GLU CG C 13 36.371 0.300 . 1 . . . . 308 GLU CG . 19766 1 1785 . 3 3 9 9 GLU N N 15 121.919 0.026 . 1 . . . . 308 GLU N . 19766 1 1786 . 3 3 10 10 ASN H H 1 8.086 0.004 . 1 . . . . 309 ASN HN . 19766 1 1787 . 3 3 10 10 ASN HA H 1 4.869 0.003 . 1 . . . . 309 ASN HA . 19766 1 1788 . 3 3 10 10 ASN HB2 H 1 2.851 0.005 . 2 . . . . 309 ASN HB2 . 19766 1 1789 . 3 3 10 10 ASN HB3 H 1 2.785 0.008 . 2 . . . . 309 ASN HB3 . 19766 1 1790 . 3 3 10 10 ASN HD21 H 1 7.908 0.020 . 2 . . . . 309 ASN HD21 . 19766 1 1791 . 3 3 10 10 ASN HD22 H 1 7.762 0.020 . 2 . . . . 309 ASN HD22 . 19766 1 1792 . 3 3 10 10 ASN CA C 13 52.600 0.020 . 1 . . . . 309 ASN CA . 19766 1 1793 . 3 3 10 10 ASN CB C 13 41.599 0.052 . 1 . . . . 309 ASN CB . 19766 1 1794 . 3 3 10 10 ASN N N 15 115.559 0.033 . 1 . . . . 309 ASN N . 19766 1 1795 . 3 3 10 10 ASN ND2 N 15 118.242 0.012 . 1 . . . . 309 ASN ND2 . 19766 1 1796 . 3 3 11 11 ARG H H 1 8.950 0.020 . 1 . . . . 310 ARG HN . 19766 1 1797 . 3 3 11 11 ARG HA H 1 3.978 0.005 . 1 . . . . 310 ARG HA . 19766 1 1798 . 3 3 11 11 ARG HG2 H 1 0.455 0.011 . 2 . . . . 310 ARG HG2 . 19766 1 1799 . 3 3 11 11 ARG HG3 H 1 0.795 0.008 . 2 . . . . 310 ARG HG3 . 19766 1 1800 . 3 3 11 11 ARG HD2 H 1 2.649 0.003 . 2 . . . . 310 ARG HD2 . 19766 1 1801 . 3 3 11 11 ARG HD3 H 1 2.686 0.002 . 2 . . . . 310 ARG HD3 . 19766 1 1802 . 3 3 11 11 ARG CA C 13 57.634 0.073 . 1 . . . . 310 ARG CA . 19766 1 1803 . 3 3 11 11 ARG CB C 13 29.956 0.064 . 1 . . . . 310 ARG CB . 19766 1 1804 . 3 3 11 11 ARG CG C 13 25.251 0.030 . 1 . . . . 310 ARG CG . 19766 1 1805 . 3 3 11 11 ARG CD C 13 43.430 0.028 . 1 . . . . 310 ARG CD . 19766 1 1806 . 3 3 11 11 ARG N N 15 119.073 0.300 . 1 . . . . 310 ARG N . 19766 1 1807 . 3 3 12 12 PHE H H 1 7.610 0.007 . 1 . . . . 311 PHE HN . 19766 1 1808 . 3 3 12 12 PHE HA H 1 4.933 0.003 . 1 . . . . 311 PHE HA . 19766 1 1809 . 3 3 12 12 PHE HB2 H 1 2.534 0.005 . 2 . . . . 311 PHE HB2 . 19766 1 1810 . 3 3 12 12 PHE HB3 H 1 3.355 0.007 . 2 . . . . 311 PHE HB3 . 19766 1 1811 . 3 3 12 12 PHE HD1 H 1 7.119 0.016 . 3 . . . . 311 PHE QD . 19766 1 1812 . 3 3 12 12 PHE HD2 H 1 7.119 0.016 . 3 . . . . 311 PHE QD . 19766 1 1813 . 3 3 12 12 PHE HE1 H 1 7.263 0.018 . 3 . . . . 311 PHE QE . 19766 1 1814 . 3 3 12 12 PHE HE2 H 1 7.263 0.018 . 3 . . . . 311 PHE QE . 19766 1 1815 . 3 3 12 12 PHE HZ H 1 7.275 0.026 . 1 . . . . 311 PHE HZ . 19766 1 1816 . 3 3 12 12 PHE CA C 13 56.293 0.007 . 1 . . . . 311 PHE CA . 19766 1 1817 . 3 3 12 12 PHE CB C 13 40.924 0.043 . 1 . . . . 311 PHE CB . 19766 1 1818 . 3 3 12 12 PHE CD1 C 13 131.560 0.034 . 3 . . . . 311 PHE CD1 . 19766 1 1819 . 3 3 12 12 PHE CD2 C 13 131.560 0.034 . 3 . . . . 311 PHE CD2 . 19766 1 1820 . 3 3 12 12 PHE CE1 C 13 131.660 0.052 . 3 . . . . 311 PHE CE1 . 19766 1 1821 . 3 3 12 12 PHE CE2 C 13 131.660 0.052 . 3 . . . . 311 PHE CE2 . 19766 1 1822 . 3 3 12 12 PHE CZ C 13 129.909 0.030 . 1 . . . . 311 PHE CZ . 19766 1 1823 . 3 3 12 12 PHE N N 15 117.821 0.079 . 1 . . . . 311 PHE N . 19766 1 1824 . 3 3 13 13 ALA H H 1 7.924 0.004 . 1 . . . . 312 ALA HN . 19766 1 1825 . 3 3 13 13 ALA HA H 1 4.015 0.004 . 1 . . . . 312 ALA HA . 19766 1 1826 . 3 3 13 13 ALA HB1 H 1 1.417 0.004 . 1 . . . . 312 ALA QB . 19766 1 1827 . 3 3 13 13 ALA HB2 H 1 1.417 0.004 . 1 . . . . 312 ALA QB . 19766 1 1828 . 3 3 13 13 ALA HB3 H 1 1.417 0.004 . 1 . . . . 312 ALA QB . 19766 1 1829 . 3 3 13 13 ALA CA C 13 52.958 0.054 . 1 . . . . 312 ALA CA . 19766 1 1830 . 3 3 13 13 ALA CB C 13 17.263 0.047 . 1 . . . . 312 ALA CB . 19766 1 1831 . 3 3 13 13 ALA N N 15 122.638 0.025 . 1 . . . . 312 ALA N . 19766 1 1832 . 3 3 14 14 ILE H H 1 8.054 0.006 . 1 . . . . 313 ILE HN . 19766 1 1833 . 3 3 14 14 ILE HA H 1 3.996 0.005 . 1 . . . . 313 ILE HA . 19766 1 1834 . 3 3 14 14 ILE HB H 1 1.397 0.005 . 1 . . . . 313 ILE HB . 19766 1 1835 . 3 3 14 14 ILE HG12 H 1 1.514 0.006 . 2 . . . . 313 ILE HG12 . 19766 1 1836 . 3 3 14 14 ILE HG13 H 1 0.955 0.004 . 2 . . . . 313 ILE HG13 . 19766 1 1837 . 3 3 14 14 ILE HG21 H 1 0.767 0.005 . 1 . . . . 313 ILE QG2 . 19766 1 1838 . 3 3 14 14 ILE HG22 H 1 0.767 0.005 . 1 . . . . 313 ILE QG2 . 19766 1 1839 . 3 3 14 14 ILE HG23 H 1 0.767 0.005 . 1 . . . . 313 ILE QG2 . 19766 1 1840 . 3 3 14 14 ILE HD11 H 1 0.667 0.005 . 1 . . . . 313 ILE QD1 . 19766 1 1841 . 3 3 14 14 ILE HD12 H 1 0.667 0.005 . 1 . . . . 313 ILE QD1 . 19766 1 1842 . 3 3 14 14 ILE HD13 H 1 0.667 0.005 . 1 . . . . 313 ILE QD1 . 19766 1 1843 . 3 3 14 14 ILE CA C 13 61.444 0.076 . 1 . . . . 313 ILE CA . 19766 1 1844 . 3 3 14 14 ILE CB C 13 39.568 0.070 . 1 . . . . 313 ILE CB . 19766 1 1845 . 3 3 14 14 ILE CG1 C 13 28.673 0.045 . 1 . . . . 313 ILE CG1 . 19766 1 1846 . 3 3 14 14 ILE CG2 C 13 17.598 0.054 . 1 . . . . 313 ILE CG2 . 19766 1 1847 . 3 3 14 14 ILE CD1 C 13 14.165 0.048 . 1 . . . . 313 ILE CD1 . 19766 1 1848 . 3 3 14 14 ILE N N 15 119.850 0.059 . 1 . . . . 313 ILE N . 19766 1 1849 . 3 3 15 15 MET H H 1 8.358 0.007 . 1 . . . . 314 MET HN . 19766 1 1850 . 3 3 15 15 MET HA H 1 4.633 0.003 . 1 . . . . 314 MET HA . 19766 1 1851 . 3 3 15 15 MET HB2 H 1 1.945 0.004 . 2 . . . . 314 MET HB2 . 19766 1 1852 . 3 3 15 15 MET HB3 H 1 2.032 0.003 . 2 . . . . 314 MET HB3 . 19766 1 1853 . 3 3 15 15 MET HG2 H 1 2.605 0.004 . 2 . . . . 314 MET HG2 . 19766 1 1854 . 3 3 15 15 MET HG3 H 1 2.771 0.003 . 2 . . . . 314 MET HG3 . 19766 1 1855 . 3 3 15 15 MET HE1 H 1 2.123 0.004 . 1 . . . . 314 MET QE . 19766 1 1856 . 3 3 15 15 MET HE2 H 1 2.123 0.004 . 1 . . . . 314 MET QE . 19766 1 1857 . 3 3 15 15 MET HE3 H 1 2.123 0.004 . 1 . . . . 314 MET QE . 19766 1 1858 . 3 3 15 15 MET CA C 13 53.039 0.036 . 1 . . . . 314 MET CA . 19766 1 1859 . 3 3 15 15 MET CB C 13 32.299 0.032 . 1 . . . . 314 MET CB . 19766 1 1860 . 3 3 15 15 MET CG C 13 32.348 0.044 . 1 . . . . 314 MET CG . 19766 1 1861 . 3 3 15 15 MET CE C 13 17.331 0.044 . 1 . . . . 314 MET CE . 19766 1 1862 . 3 3 15 15 MET N N 15 128.321 0.031 . 1 . . . . 314 MET N . 19766 1 1863 . 3 3 16 16 PRO HA H 1 4.102 0.006 . 1 . . . . 315 PRO HA . 19766 1 1864 . 3 3 16 16 PRO HB2 H 1 1.922 0.006 . 2 . . . . 315 PRO HB2 . 19766 1 1865 . 3 3 16 16 PRO HB3 H 1 2.118 0.007 . 2 . . . . 315 PRO HB3 . 19766 1 1866 . 3 3 16 16 PRO HG2 H 1 1.982 0.003 . 2 . . . . 315 PRO HG2 . 19766 1 1867 . 3 3 16 16 PRO HG3 H 1 1.829 0.005 . 2 . . . . 315 PRO HG3 . 19766 1 1868 . 3 3 16 16 PRO HD2 H 1 3.751 0.005 . 2 . . . . 315 PRO HD2 . 19766 1 1869 . 3 3 16 16 PRO HD3 H 1 3.605 0.004 . 2 . . . . 315 PRO HD3 . 19766 1 1870 . 3 3 16 16 PRO CA C 13 62.653 0.063 . 1 . . . . 315 PRO CA . 19766 1 1871 . 3 3 16 16 PRO CB C 13 33.491 0.058 . 1 . . . . 315 PRO CB . 19766 1 1872 . 3 3 16 16 PRO CG C 13 27.133 0.051 . 1 . . . . 315 PRO CG . 19766 1 1873 . 3 3 16 16 PRO CD C 13 50.776 0.031 . 1 . . . . 315 PRO CD . 19766 1 1874 . 3 3 17 17 GLY H H 1 8.909 0.009 . 1 . . . . 316 GLY HN . 19766 1 1875 . 3 3 17 17 GLY HA2 H 1 4.224 0.012 . 2 . . . . 316 GLY HA2 . 19766 1 1876 . 3 3 17 17 GLY HA3 H 1 4.363 0.005 . 2 . . . . 316 GLY HA3 . 19766 1 1877 . 3 3 17 17 GLY CA C 13 45.530 0.077 . 1 . . . . 316 GLY CA . 19766 1 1878 . 3 3 17 17 GLY N N 15 109.015 0.030 . 1 . . . . 316 GLY N . 19766 1 1879 . 3 3 18 18 SER H H 1 8.720 0.006 . 1 . . . . 317 SER HN . 19766 1 1880 . 3 3 18 18 SER HA H 1 4.253 0.004 . 1 . . . . 317 SER HA . 19766 1 1881 . 3 3 18 18 SER HB2 H 1 4.010 0.010 . 2 . . . . 317 SER HB2 . 19766 1 1882 . 3 3 18 18 SER HB3 H 1 4.010 0.010 . 2 . . . . 317 SER HB3 . 19766 1 1883 . 3 3 18 18 SER CA C 13 61.226 0.065 . 1 . . . . 317 SER CA . 19766 1 1884 . 3 3 18 18 SER CB C 13 63.577 0.034 . 1 . . . . 317 SER CB . 19766 1 1885 . 3 3 18 18 SER N N 15 117.379 0.044 . 1 . . . . 317 SER N . 19766 1 1886 . 3 3 19 19 ARG H H 1 8.907 0.010 . 1 . . . . 318 ARG HN . 19766 1 1887 . 3 3 19 19 ARG HA H 1 4.293 0.006 . 1 . . . . 318 ARG HA . 19766 1 1888 . 3 3 19 19 ARG HB2 H 1 2.044 0.005 . 2 . . . . 318 ARG HB2 . 19766 1 1889 . 3 3 19 19 ARG HB3 H 1 2.044 0.005 . 2 . . . . 318 ARG HB3 . 19766 1 1890 . 3 3 19 19 ARG HG2 H 1 1.625 0.007 . 2 . . . . 318 ARG HG2 . 19766 1 1891 . 3 3 19 19 ARG HG3 H 1 1.705 0.002 . 2 . . . . 318 ARG HG3 . 19766 1 1892 . 3 3 19 19 ARG HD2 H 1 2.969 0.006 . 2 . . . . 318 ARG HD2 . 19766 1 1893 . 3 3 19 19 ARG HD3 H 1 3.177 0.007 . 2 . . . . 318 ARG HD3 . 19766 1 1894 . 3 3 19 19 ARG HE H 1 8.291 0.007 . 1 . . . . 318 ARG HE . 19766 1 1895 . 3 3 19 19 ARG HH11 H 1 6.708 0.020 . 2 . . . . 318 ARG HH11 . 19766 1 1896 . 3 3 19 19 ARG HH12 H 1 6.708 0.020 . 2 . . . . 318 ARG HH12 . 19766 1 1897 . 3 3 19 19 ARG HH21 H 1 7.132 0.020 . 2 . . . . 318 ARG HH21 . 19766 1 1898 . 3 3 19 19 ARG HH22 H 1 7.132 0.020 . 2 . . . . 318 ARG HH22 . 19766 1 1899 . 3 3 19 19 ARG CA C 13 56.579 0.048 . 1 . . . . 318 ARG CA . 19766 1 1900 . 3 3 19 19 ARG CB C 13 29.272 0.089 . 1 . . . . 318 ARG CB . 19766 1 1901 . 3 3 19 19 ARG CG C 13 29.273 0.079 . 1 . . . . 318 ARG CG . 19766 1 1902 . 3 3 19 19 ARG CD C 13 43.475 0.047 . 1 . . . . 318 ARG CD . 19766 1 1903 . 3 3 19 19 ARG N N 15 118.245 0.051 . 1 . . . . 318 ARG N . 19766 1 1904 . 3 3 19 19 ARG NE N 15 85.861 0.300 . 1 . . . . 318 ARG NE . 19766 1 1905 . 3 3 19 19 ARG NH1 N 15 71.940 0.300 . 2 . . . . 318 ARG NH1 . 19766 1 1906 . 3 3 19 19 ARG NH2 N 15 71.231 0.300 . 2 . . . . 318 ARG NH2 . 19766 1 1907 . 3 3 20 20 TRP H H 1 7.587 0.007 . 1 . . . . 319 TRP HN . 19766 1 1908 . 3 3 20 20 TRP HA H 1 5.325 0.010 . 1 . . . . 319 TRP HA . 19766 1 1909 . 3 3 20 20 TRP HB2 H 1 2.736 0.003 . 2 . . . . 319 TRP HB2 . 19766 1 1910 . 3 3 20 20 TRP HB3 H 1 3.381 0.008 . 2 . . . . 319 TRP HB3 . 19766 1 1911 . 3 3 20 20 TRP HD1 H 1 8.007 0.007 . 1 . . . . 319 TRP HD1 . 19766 1 1912 . 3 3 20 20 TRP HE1 H 1 10.327 0.011 . 1 . . . . 319 TRP HE1 . 19766 1 1913 . 3 3 20 20 TRP HE3 H 1 7.142 0.009 . 1 . . . . 319 TRP HE3 . 19766 1 1914 . 3 3 20 20 TRP HZ2 H 1 6.692 0.008 . 1 . . . . 319 TRP HZ2 . 19766 1 1915 . 3 3 20 20 TRP HZ3 H 1 7.520 0.009 . 1 . . . . 319 TRP HZ3 . 19766 1 1916 . 3 3 20 20 TRP HH2 H 1 7.044 0.007 . 1 . . . . 319 TRP HH2 . 19766 1 1917 . 3 3 20 20 TRP CA C 13 57.558 0.033 . 1 . . . . 319 TRP CA . 19766 1 1918 . 3 3 20 20 TRP CB C 13 28.005 0.088 . 1 . . . . 319 TRP CB . 19766 1 1919 . 3 3 20 20 TRP CD1 C 13 127.278 0.062 . 1 . . . . 319 TRP CD1 . 19766 1 1920 . 3 3 20 20 TRP CE3 C 13 123.085 0.053 . 1 . . . . 319 TRP CE3 . 19766 1 1921 . 3 3 20 20 TRP CZ2 C 13 114.309 0.052 . 1 . . . . 319 TRP CZ2 . 19766 1 1922 . 3 3 20 20 TRP CZ3 C 13 121.073 0.075 . 1 . . . . 319 TRP CZ3 . 19766 1 1923 . 3 3 20 20 TRP CH2 C 13 125.655 0.053 . 1 . . . . 319 TRP CH2 . 19766 1 1924 . 3 3 20 20 TRP N N 15 119.190 0.065 . 1 . . . . 319 TRP N . 19766 1 1925 . 3 3 20 20 TRP NE1 N 15 135.792 0.052 . 1 . . . . 319 TRP NE1 . 19766 1 1926 . 3 3 21 21 ASP H H 1 7.576 0.007 . 1 . . . . 320 ASP HN . 19766 1 1927 . 3 3 21 21 ASP HA H 1 4.259 0.007 . 1 . . . . 320 ASP HA . 19766 1 1928 . 3 3 21 21 ASP HB2 H 1 2.840 0.009 . 2 . . . . 320 ASP HB2 . 19766 1 1929 . 3 3 21 21 ASP HB3 H 1 2.551 0.005 . 2 . . . . 320 ASP HB3 . 19766 1 1930 . 3 3 21 21 ASP CA C 13 53.480 0.022 . 1 . . . . 320 ASP CA . 19766 1 1931 . 3 3 21 21 ASP CB C 13 40.011 0.037 . 1 . . . . 320 ASP CB . 19766 1 1932 . 3 3 21 21 ASP N N 15 128.661 0.052 . 1 . . . . 320 ASP N . 19766 1 1933 . 3 3 22 22 GLY H H 1 4.587 0.005 . 1 . . . . 321 GLY HN . 19766 1 1934 . 3 3 22 22 GLY HA2 H 1 0.557 0.009 . 2 . . . . 321 GLY HA2 . 19766 1 1935 . 3 3 22 22 GLY HA3 H 1 3.144 0.006 . 2 . . . . 321 GLY HA3 . 19766 1 1936 . 3 3 22 22 GLY CA C 13 44.313 0.054 . 1 . . . . 321 GLY CA . 19766 1 1937 . 3 3 23 23 VAL H H 1 6.799 0.007 . 1 . . . . 322 VAL HN . 19766 1 1938 . 3 3 23 23 VAL HA H 1 3.827 0.005 . 1 . . . . 322 VAL HA . 19766 1 1939 . 3 3 23 23 VAL HB H 1 2.110 0.005 . 1 . . . . 322 VAL HB . 19766 1 1940 . 3 3 23 23 VAL HG11 H 1 0.626 0.004 . 2 . . . . 322 VAL QG1 . 19766 1 1941 . 3 3 23 23 VAL HG12 H 1 0.626 0.004 . 2 . . . . 322 VAL QG1 . 19766 1 1942 . 3 3 23 23 VAL HG13 H 1 0.626 0.004 . 2 . . . . 322 VAL QG1 . 19766 1 1943 . 3 3 23 23 VAL HG21 H 1 0.811 0.006 . 2 . . . . 322 VAL QG2 . 19766 1 1944 . 3 3 23 23 VAL HG22 H 1 0.811 0.006 . 2 . . . . 322 VAL QG2 . 19766 1 1945 . 3 3 23 23 VAL HG23 H 1 0.811 0.006 . 2 . . . . 322 VAL QG2 . 19766 1 1946 . 3 3 23 23 VAL CA C 13 61.956 0.045 . 1 . . . . 322 VAL CA . 19766 1 1947 . 3 3 23 23 VAL CB C 13 31.914 0.040 . 1 . . . . 322 VAL CB . 19766 1 1948 . 3 3 23 23 VAL CG1 C 13 21.135 0.045 . 2 . . . . 322 VAL CG1 . 19766 1 1949 . 3 3 23 23 VAL CG2 C 13 20.382 0.029 . 2 . . . . 322 VAL CG2 . 19766 1 1950 . 3 3 23 23 VAL N N 15 122.064 0.031 . 1 . . . . 322 VAL N . 19766 1 1951 . 3 3 24 24 HIS H H 1 8.742 0.006 . 1 . . . . 323 HIS HN . 19766 1 1952 . 3 3 24 24 HIS HA H 1 5.406 0.005 . 1 . . . . 323 HIS HA . 19766 1 1953 . 3 3 24 24 HIS HB2 H 1 3.243 0.011 . 2 . . . . 323 HIS HB2 . 19766 1 1954 . 3 3 24 24 HIS HB3 H 1 3.267 0.017 . 2 . . . . 323 HIS HB3 . 19766 1 1955 . 3 3 24 24 HIS HD2 H 1 7.229 0.011 . 1 . . . . 323 HIS HD2 . 19766 1 1956 . 3 3 24 24 HIS HE1 H 1 8.478 0.008 . 1 . . . . 323 HIS HE1 . 19766 1 1957 . 3 3 24 24 HIS CA C 13 55.054 0.073 . 1 . . . . 323 HIS CA . 19766 1 1958 . 3 3 24 24 HIS CB C 13 28.794 0.025 . 1 . . . . 323 HIS CB . 19766 1 1959 . 3 3 24 24 HIS CD2 C 13 120.284 0.031 . 1 . . . . 323 HIS CD2 . 19766 1 1960 . 3 3 24 24 HIS CE1 C 13 137.319 0.043 . 1 . . . . 323 HIS CE1 . 19766 1 1961 . 3 3 24 24 HIS N N 15 126.963 0.069 . 1 . . . . 323 HIS N . 19766 1 1962 . 3 3 25 25 ARG H H 1 10.429 0.015 . 1 . . . . 324 ARG HN . 19766 1 1963 . 3 3 25 25 ARG HA H 1 3.998 0.006 . 1 . . . . 324 ARG HA . 19766 1 1964 . 3 3 25 25 ARG HB2 H 1 -0.104 0.020 . 2 . . . . 324 ARG HB2 . 19766 1 1965 . 3 3 25 25 ARG HB3 H 1 1.429 0.020 . 2 . . . . 324 ARG HB3 . 19766 1 1966 . 3 3 25 25 ARG HD2 H 1 3.467 0.020 . 2 . . . . 324 ARG HD2 . 19766 1 1967 . 3 3 25 25 ARG HD3 H 1 2.686 0.020 . 2 . . . . 324 ARG HD3 . 19766 1 1968 . 3 3 25 25 ARG HE H 1 7.377 0.020 . 1 . . . . 324 ARG HE . 19766 1 1969 . 3 3 25 25 ARG HH11 H 1 9.008 0.006 . 2 . . . . 324 ARG HH11 . 19766 1 1970 . 3 3 25 25 ARG HH12 H 1 7.867 0.011 . 2 . . . . 324 ARG HH12 . 19766 1 1971 . 3 3 25 25 ARG HH21 H 1 9.804 0.012 . 2 . . . . 324 ARG HH21 . 19766 1 1972 . 3 3 25 25 ARG HH22 H 1 6.549 0.001 . 2 . . . . 324 ARG HH22 . 19766 1 1973 . 3 3 25 25 ARG CA C 13 55.232 0.068 . 1 . . . . 324 ARG CA . 19766 1 1974 . 3 3 25 25 ARG CB C 13 30.106 0.300 . 1 . . . . 324 ARG CB . 19766 1 1975 . 3 3 25 25 ARG CD C 13 43.848 0.300 . 1 . . . . 324 ARG CD . 19766 1 1976 . 3 3 25 25 ARG N N 15 133.381 0.081 . 1 . . . . 324 ARG N . 19766 1 1977 . 3 3 25 25 ARG NE N 15 82.963 0.300 . 1 . . . . 324 ARG NE . 19766 1 1978 . 3 3 25 25 ARG NH1 N 15 74.573 0.006 . 2 . . . . 324 ARG NH1 . 19766 1 1979 . 3 3 25 25 ARG NH2 N 15 73.715 0.082 . 2 . . . . 324 ARG NH2 . 19766 1 1980 . 3 3 26 26 SER H H 1 7.633 0.007 . 1 . . . . 325 SER HN . 19766 1 1981 . 3 3 26 26 SER HA H 1 4.455 0.010 . 1 . . . . 325 SER HA . 19766 1 1982 . 3 3 26 26 SER HB2 H 1 3.795 0.004 . 2 . . . . 325 SER HB2 . 19766 1 1983 . 3 3 26 26 SER HB3 H 1 3.225 0.005 . 2 . . . . 325 SER HB3 . 19766 1 1984 . 3 3 26 26 SER CA C 13 55.961 0.085 . 1 . . . . 325 SER CA . 19766 1 1985 . 3 3 26 26 SER CB C 13 64.989 0.073 . 1 . . . . 325 SER CB . 19766 1 1986 . 3 3 26 26 SER N N 15 116.017 0.046 . 1 . . . . 325 SER N . 19766 1 1987 . 3 3 27 27 ASN H H 1 9.126 0.009 . 1 . . . . 326 ASN HN . 19766 1 1988 . 3 3 27 27 ASN HA H 1 4.818 0.006 . 1 . . . . 326 ASN HA . 19766 1 1989 . 3 3 27 27 ASN HB2 H 1 2.631 0.007 . 2 . . . . 326 ASN HB2 . 19766 1 1990 . 3 3 27 27 ASN HB3 H 1 3.043 0.013 . 2 . . . . 326 ASN HB3 . 19766 1 1991 . 3 3 27 27 ASN HD21 H 1 8.002 0.010 . 2 . . . . 326 ASN HD21 . 19766 1 1992 . 3 3 27 27 ASN HD22 H 1 6.939 0.006 . 2 . . . . 326 ASN HD22 . 19766 1 1993 . 3 3 27 27 ASN CA C 13 53.366 0.056 . 1 . . . . 326 ASN CA . 19766 1 1994 . 3 3 27 27 ASN CB C 13 38.490 0.049 . 1 . . . . 326 ASN CB . 19766 1 1995 . 3 3 27 27 ASN N N 15 125.001 0.046 . 1 . . . . 326 ASN N . 19766 1 1996 . 3 3 27 27 ASN ND2 N 15 111.159 0.020 . 1 . . . . 326 ASN ND2 . 19766 1 1997 . 3 3 28 28 GLY H H 1 8.573 0.008 . 1 . . . . 327 GLY HN . 19766 1 1998 . 3 3 28 28 GLY HA2 H 1 4.245 0.009 . 2 . . . . 327 GLY HA2 . 19766 1 1999 . 3 3 28 28 GLY HA3 H 1 3.848 0.006 . 2 . . . . 327 GLY HA3 . 19766 1 2000 . 3 3 28 28 GLY CA C 13 45.320 0.054 . 1 . . . . 327 GLY CA . 19766 1 2001 . 3 3 28 28 GLY N N 15 108.320 0.057 . 1 . . . . 327 GLY N . 19766 1 2002 . 3 3 29 29 PHE H H 1 8.270 0.004 . 1 . . . . 328 PHE HN . 19766 1 2003 . 3 3 29 29 PHE HA H 1 4.286 0.006 . 1 . . . . 328 PHE HA . 19766 1 2004 . 3 3 29 29 PHE HB2 H 1 2.992 0.005 . 2 . . . . 328 PHE HB2 . 19766 1 2005 . 3 3 29 29 PHE HB3 H 1 3.319 0.002 . 2 . . . . 328 PHE HB3 . 19766 1 2006 . 3 3 29 29 PHE HD1 H 1 7.215 0.008 . 3 . . . . 328 PHE QD . 19766 1 2007 . 3 3 29 29 PHE HD2 H 1 7.215 0.008 . 3 . . . . 328 PHE QD . 19766 1 2008 . 3 3 29 29 PHE HE1 H 1 7.306 0.010 . 3 . . . . 328 PHE QE . 19766 1 2009 . 3 3 29 29 PHE HE2 H 1 7.306 0.010 . 3 . . . . 328 PHE QE . 19766 1 2010 . 3 3 29 29 PHE HZ H 1 7.227 0.012 . 1 . . . . 328 PHE HZ . 19766 1 2011 . 3 3 29 29 PHE CA C 13 59.480 0.043 . 1 . . . . 328 PHE CA . 19766 1 2012 . 3 3 29 29 PHE CB C 13 39.496 0.057 . 1 . . . . 328 PHE CB . 19766 1 2013 . 3 3 29 29 PHE CD1 C 13 131.921 0.043 . 3 . . . . 328 PHE CD1 . 19766 1 2014 . 3 3 29 29 PHE CD2 C 13 131.921 0.043 . 3 . . . . 328 PHE CD2 . 19766 1 2015 . 3 3 29 29 PHE CE1 C 13 131.684 0.056 . 3 . . . . 328 PHE CE1 . 19766 1 2016 . 3 3 29 29 PHE CE2 C 13 131.684 0.056 . 3 . . . . 328 PHE CE2 . 19766 1 2017 . 3 3 29 29 PHE CZ C 13 129.885 0.002 . 1 . . . . 328 PHE CZ . 19766 1 2018 . 3 3 29 29 PHE N N 15 122.309 0.021 . 1 . . . . 328 PHE N . 19766 1 2019 . 3 3 30 30 GLU H H 1 8.015 0.005 . 1 . . . . 329 GLU HN . 19766 1 2020 . 3 3 30 30 GLU HA H 1 4.235 0.004 . 1 . . . . 329 GLU HA . 19766 1 2021 . 3 3 30 30 GLU HB2 H 1 1.899 0.004 . 2 . . . . 329 GLU HB2 . 19766 1 2022 . 3 3 30 30 GLU HB3 H 1 1.899 0.004 . 2 . . . . 329 GLU HB3 . 19766 1 2023 . 3 3 30 30 GLU HG2 H 1 2.231 0.020 . 2 . . . . 329 GLU HG2 . 19766 1 2024 . 3 3 30 30 GLU HG3 H 1 2.172 0.020 . 2 . . . . 329 GLU HG3 . 19766 1 2025 . 3 3 30 30 GLU CA C 13 56.151 0.038 . 1 . . . . 329 GLU CA . 19766 1 2026 . 3 3 30 30 GLU CB C 13 30.302 0.055 . 1 . . . . 329 GLU CB . 19766 1 2027 . 3 3 30 30 GLU CG C 13 36.365 0.300 . 1 . . . . 329 GLU CG . 19766 1 2028 . 3 3 30 30 GLU N N 15 123.449 0.044 . 1 . . . . 329 GLU N . 19766 1 2029 . 3 3 31 31 GLU H H 1 8.135 0.007 . 1 . . . . 330 GLU HN . 19766 1 2030 . 3 3 31 31 GLU HA H 1 4.159 0.003 . 1 . . . . 330 GLU HA . 19766 1 2031 . 3 3 31 31 GLU HB2 H 1 2.003 0.006 . 2 . . . . 330 GLU HB2 . 19766 1 2032 . 3 3 31 31 GLU HB3 H 1 2.003 0.006 . 2 . . . . 330 GLU HB3 . 19766 1 2033 . 3 3 31 31 GLU HG2 H 1 2.318 0.005 . 2 . . . . 330 GLU HG2 . 19766 1 2034 . 3 3 31 31 GLU HG3 H 1 2.349 0.020 . 2 . . . . 330 GLU HG3 . 19766 1 2035 . 3 3 31 31 GLU CA C 13 56.617 0.049 . 1 . . . . 330 GLU CA . 19766 1 2036 . 3 3 31 31 GLU CB C 13 30.457 0.071 . 1 . . . . 330 GLU CB . 19766 1 2037 . 3 3 31 31 GLU CG C 13 36.555 0.006 . 1 . . . . 330 GLU CG . 19766 1 2038 . 3 3 31 31 GLU N N 15 122.675 0.019 . 1 . . . . 330 GLU N . 19766 1 2039 . 3 3 32 32 LYS H H 1 7.938 0.005 . 1 . . . . 331 LYS HN . 19766 1 2040 . 3 3 32 32 LYS HA H 1 4.249 0.004 . 1 . . . . 331 LYS HA . 19766 1 2041 . 3 3 32 32 LYS HB2 H 1 1.671 0.004 . 2 . . . . 331 LYS HB2 . 19766 1 2042 . 3 3 32 32 LYS HB3 H 1 1.549 0.005 . 2 . . . . 331 LYS HB3 . 19766 1 2043 . 3 3 32 32 LYS HG2 H 1 1.244 0.004 . 2 . . . . 331 LYS HG2 . 19766 1 2044 . 3 3 32 32 LYS HG3 H 1 1.244 0.004 . 2 . . . . 331 LYS HG3 . 19766 1 2045 . 3 3 32 32 LYS HD2 H 1 1.535 0.004 . 2 . . . . 331 LYS HD2 . 19766 1 2046 . 3 3 32 32 LYS HD3 H 1 1.535 0.004 . 2 . . . . 331 LYS HD3 . 19766 1 2047 . 3 3 32 32 LYS HE2 H 1 2.868 0.002 . 2 . . . . 331 LYS HE2 . 19766 1 2048 . 3 3 32 32 LYS HE3 H 1 2.868 0.002 . 2 . . . . 331 LYS HE3 . 19766 1 2049 . 3 3 32 32 LYS CA C 13 55.873 0.026 . 1 . . . . 331 LYS CA . 19766 1 2050 . 3 3 32 32 LYS CB C 13 33.344 0.055 . 1 . . . . 331 LYS CB . 19766 1 2051 . 3 3 32 32 LYS CG C 13 24.414 0.046 . 1 . . . . 331 LYS CG . 19766 1 2052 . 3 3 32 32 LYS CD C 13 28.910 0.054 . 1 . . . . 331 LYS CD . 19766 1 2053 . 3 3 32 32 LYS CE C 13 42.135 0.029 . 1 . . . . 331 LYS CE . 19766 1 2054 . 3 3 32 32 LYS N N 15 122.167 0.047 . 1 . . . . 331 LYS N . 19766 1 2055 . 3 3 33 33 TRP H H 1 7.506 0.005 . 1 . . . . 332 TRP HN . 19766 1 2056 . 3 3 33 33 TRP HA H 1 4.463 0.002 . 1 . . . . 332 TRP HA . 19766 1 2057 . 3 3 33 33 TRP HB2 H 1 3.122 0.004 . 2 . . . . 332 TRP HB2 . 19766 1 2058 . 3 3 33 33 TRP HB3 H 1 3.247 0.007 . 2 . . . . 332 TRP HB3 . 19766 1 2059 . 3 3 33 33 TRP HD1 H 1 7.136 0.007 . 1 . . . . 332 TRP HD1 . 19766 1 2060 . 3 3 33 33 TRP HE1 H 1 9.931 0.020 . 1 . . . . 332 TRP HE1 . 19766 1 2061 . 3 3 33 33 TRP HE3 H 1 7.539 0.013 . 1 . . . . 332 TRP HE3 . 19766 1 2062 . 3 3 33 33 TRP HZ2 H 1 7.424 0.012 . 1 . . . . 332 TRP HZ2 . 19766 1 2063 . 3 3 33 33 TRP HZ3 H 1 7.066 0.013 . 1 . . . . 332 TRP HZ3 . 19766 1 2064 . 3 3 33 33 TRP HH2 H 1 7.160 0.013 . 1 . . . . 332 TRP HH2 . 19766 1 2065 . 3 3 33 33 TRP CA C 13 58.596 0.036 . 1 . . . . 332 TRP CA . 19766 1 2066 . 3 3 33 33 TRP CB C 13 30.203 0.028 . 1 . . . . 332 TRP CB . 19766 1 2067 . 3 3 33 33 TRP CD1 C 13 127.066 0.023 . 1 . . . . 332 TRP CD1 . 19766 1 2068 . 3 3 33 33 TRP CE3 C 13 121.384 0.001 . 1 . . . . 332 TRP CE3 . 19766 1 2069 . 3 3 33 33 TRP CZ2 C 13 114.479 0.017 . 1 . . . . 332 TRP CZ2 . 19766 1 2070 . 3 3 33 33 TRP CZ3 C 13 121.769 0.057 . 1 . . . . 332 TRP CZ3 . 19766 1 2071 . 3 3 33 33 TRP CH2 C 13 124.360 0.007 . 1 . . . . 332 TRP CH2 . 19766 1 2072 . 3 3 33 33 TRP N N 15 127.005 0.025 . 1 . . . . 332 TRP N . 19766 1 2073 . 3 3 33 33 TRP NE1 N 15 128.560 0.300 . 1 . . . . 332 TRP NE1 . 19766 1 stop_ save_