data_25442 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25442 _Entry.Title ; Snu17p-Bud13p structure intermediate during RES complex assembly ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-19 _Entry.Accession_date 2015-01-19 _Entry.Last_release_date 2015-08-10 _Entry.Original_release_date 2015-08-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'X-RAY DIFFRACTION' _Entry.Details 'Heterodimeric complex composed of Snu17p/Ist3p(25-138) and Bud13p(215 255)' _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 . . . 25442 2 Stefan Becker . . . 25442 3 Markus Zweckstetter . . . 25442 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' . 25442 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ist3p . 25442 Pml1p . 25442 RES . 25442 RRM . 25442 Snu17p . 25442 cooperativity . 25442 heterodimer . 25442 spliceosome . 25442 splicing . 25442 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25442 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 527 25442 '15N chemical shifts' 148 25442 '1H chemical shifts' 1013 25442 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 . . 2015-08-10 . original BMRB . 25442 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19766 'Heterotrimeric pre-mRNA Retention and Splicing Complex' 25442 BMRB 25443 'Snu17p-Pml1p structure intermediate during RES complex assembly' 25442 PDB 2MKC . 25442 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25442 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26212312 _Citation.Full_citation . _Citation.Title ; Structures of intermediates during RES complex assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _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 12545 _Citation.Page_last 12545 _Citation.Year 2015 _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 . . . 25442 1 2 Stefan Becker . . . 25442 1 3 Markus Zweckstetter . . . 25442 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25442 _Assembly.ID 1 _Assembly.Name 'Heterodimeric complex composed of Snu17p/Ist3p(25-138) and Bud13p(215-255' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25442 1 2 entity_2 2 $entity_2 B . yes native no no . . . 25442 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25442 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P40565 . "U2 snRNP component IST3" . . . . . . . . . . . . . . 25442 1 2 no BMRB 19766 . Snu17p . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25442 1 3 no BMRB 25047 . RRM . . . . . 78.81 93 100.00 100.00 7.85e-60 . . . . 25442 1 4 no BMRB 25443 . Snu17p . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25442 1 5 no PDB 2MKC . "Cooperative Structure Of The Heterotrimeric Pre-mrna Retention And Splicing Complex" . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25442 1 6 no PDB 2MY2 . "Snu17p-bud13p Structure Intermediate During Res Complex Assembly" . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25442 1 7 no PDB 2MY3 . "Snu17p-pml1p Structure Intermediate During Res Complex Assembly" . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25442 1 8 no PDB 4UQT . "Rrm-peptide Structure In Res Complex" . . . . . 78.81 93 100.00 100.00 7.85e-60 . . . . 25442 1 9 no DBJ GAA24120 . "K7_Ist3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 10 no EMBL CAA86207 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 11 no EMBL CAY80517 . "Ist3p [Saccharomyces cerevisiae EC1118]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 12 no GB AAS56407 . "YIR005W [Saccharomyces cerevisiae]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 13 no GB AEO21093 . "IST3 [synthetic construct]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 14 no GB AHY76002 . "Ist3p [Saccharomyces cerevisiae YJM993]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 15 no GB AJP39470 . "Ist3p [Saccharomyces cerevisiae YJM1078]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 16 no GB AJR36763 . "Ist3p [Saccharomyces cerevisiae YJM189]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 17 no REF NP_012270 . "U2 snRNP complex subunit IST3 [Saccharomyces cerevisiae S288c]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 1 18 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 3.23e-75 . . . . 25442 1 19 no TPG DAA08551 . "TPA: U2 snRNP complex subunit IST3 [Saccharomyces cerevisiae S288c]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25442 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 . 25442 1 2 . ALA . 25442 1 3 . MET . 25442 1 4 . GLY . 25442 1 5 . ASN . 25442 1 6 . GLU . 25442 1 7 . TYR . 25442 1 8 . LYS . 25442 1 9 . ASP . 25442 1 10 . ASN . 25442 1 11 . ALA . 25442 1 12 . TYR . 25442 1 13 . ILE . 25442 1 14 . TYR . 25442 1 15 . ILE . 25442 1 16 . GLY . 25442 1 17 . ASN . 25442 1 18 . LEU . 25442 1 19 . ASN . 25442 1 20 . ARG . 25442 1 21 . GLU . 25442 1 22 . LEU . 25442 1 23 . THR . 25442 1 24 . GLU . 25442 1 25 . GLY . 25442 1 26 . ASP . 25442 1 27 . ILE . 25442 1 28 . LEU . 25442 1 29 . THR . 25442 1 30 . VAL . 25442 1 31 . PHE . 25442 1 32 . SER . 25442 1 33 . GLU . 25442 1 34 . TYR . 25442 1 35 . GLY . 25442 1 36 . VAL . 25442 1 37 . PRO . 25442 1 38 . VAL . 25442 1 39 . ASP . 25442 1 40 . VAL . 25442 1 41 . ILE . 25442 1 42 . LEU . 25442 1 43 . SER . 25442 1 44 . ARG . 25442 1 45 . ASP . 25442 1 46 . GLU . 25442 1 47 . ASN . 25442 1 48 . THR . 25442 1 49 . GLY . 25442 1 50 . GLU . 25442 1 51 . SER . 25442 1 52 . GLN . 25442 1 53 . GLY . 25442 1 54 . PHE . 25442 1 55 . ALA . 25442 1 56 . TYR . 25442 1 57 . LEU . 25442 1 58 . LYS . 25442 1 59 . TYR . 25442 1 60 . GLU . 25442 1 61 . ASP . 25442 1 62 . GLN . 25442 1 63 . ARG . 25442 1 64 . SER . 25442 1 65 . THR . 25442 1 66 . ILE . 25442 1 67 . LEU . 25442 1 68 . ALA . 25442 1 69 . VAL . 25442 1 70 . ASP . 25442 1 71 . ASN . 25442 1 72 . LEU . 25442 1 73 . ASN . 25442 1 74 . GLY . 25442 1 75 . PHE . 25442 1 76 . LYS . 25442 1 77 . ILE . 25442 1 78 . GLY . 25442 1 79 . GLY . 25442 1 80 . ARG . 25442 1 81 . ALA . 25442 1 82 . LEU . 25442 1 83 . LYS . 25442 1 84 . ILE . 25442 1 85 . ASP . 25442 1 86 . HIS . 25442 1 87 . THR . 25442 1 88 . PHE . 25442 1 89 . TYR . 25442 1 90 . ARG . 25442 1 91 . PRO . 25442 1 92 . LYS . 25442 1 93 . ARG . 25442 1 94 . SER . 25442 1 95 . LEU . 25442 1 96 . GLN . 25442 1 97 . LYS . 25442 1 98 . TYR . 25442 1 99 . TYR . 25442 1 100 . GLU . 25442 1 101 . ALA . 25442 1 102 . VAL . 25442 1 103 . LYS . 25442 1 104 . GLU . 25442 1 105 . GLU . 25442 1 106 . LEU . 25442 1 107 . ASP . 25442 1 108 . ARG . 25442 1 109 . ASP . 25442 1 110 . ILE . 25442 1 111 . VAL . 25442 1 112 . SER . 25442 1 113 . LYS . 25442 1 114 . ASN . 25442 1 115 . ASN . 25442 1 116 . ALA . 25442 1 117 . GLU . 25442 1 118 . LYS . 25442 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 25442 1 . ALA 2 2 25442 1 . MET 3 3 25442 1 . GLY 4 4 25442 1 . ASN 5 5 25442 1 . GLU 6 6 25442 1 . TYR 7 7 25442 1 . LYS 8 8 25442 1 . ASP 9 9 25442 1 . ASN 10 10 25442 1 . ALA 11 11 25442 1 . TYR 12 12 25442 1 . ILE 13 13 25442 1 . TYR 14 14 25442 1 . ILE 15 15 25442 1 . GLY 16 16 25442 1 . ASN 17 17 25442 1 . LEU 18 18 25442 1 . ASN 19 19 25442 1 . ARG 20 20 25442 1 . GLU 21 21 25442 1 . LEU 22 22 25442 1 . THR 23 23 25442 1 . GLU 24 24 25442 1 . GLY 25 25 25442 1 . ASP 26 26 25442 1 . ILE 27 27 25442 1 . LEU 28 28 25442 1 . THR 29 29 25442 1 . VAL 30 30 25442 1 . PHE 31 31 25442 1 . SER 32 32 25442 1 . GLU 33 33 25442 1 . TYR 34 34 25442 1 . GLY 35 35 25442 1 . VAL 36 36 25442 1 . PRO 37 37 25442 1 . VAL 38 38 25442 1 . ASP 39 39 25442 1 . VAL 40 40 25442 1 . ILE 41 41 25442 1 . LEU 42 42 25442 1 . SER 43 43 25442 1 . ARG 44 44 25442 1 . ASP 45 45 25442 1 . GLU 46 46 25442 1 . ASN 47 47 25442 1 . THR 48 48 25442 1 . GLY 49 49 25442 1 . GLU 50 50 25442 1 . SER 51 51 25442 1 . GLN 52 52 25442 1 . GLY 53 53 25442 1 . PHE 54 54 25442 1 . ALA 55 55 25442 1 . TYR 56 56 25442 1 . LEU 57 57 25442 1 . LYS 58 58 25442 1 . TYR 59 59 25442 1 . GLU 60 60 25442 1 . ASP 61 61 25442 1 . GLN 62 62 25442 1 . ARG 63 63 25442 1 . SER 64 64 25442 1 . THR 65 65 25442 1 . ILE 66 66 25442 1 . LEU 67 67 25442 1 . ALA 68 68 25442 1 . VAL 69 69 25442 1 . ASP 70 70 25442 1 . ASN 71 71 25442 1 . LEU 72 72 25442 1 . ASN 73 73 25442 1 . GLY 74 74 25442 1 . PHE 75 75 25442 1 . LYS 76 76 25442 1 . ILE 77 77 25442 1 . GLY 78 78 25442 1 . GLY 79 79 25442 1 . ARG 80 80 25442 1 . ALA 81 81 25442 1 . LEU 82 82 25442 1 . LYS 83 83 25442 1 . ILE 84 84 25442 1 . ASP 85 85 25442 1 . HIS 86 86 25442 1 . THR 87 87 25442 1 . PHE 88 88 25442 1 . TYR 89 89 25442 1 . ARG 90 90 25442 1 . PRO 91 91 25442 1 . LYS 92 92 25442 1 . ARG 93 93 25442 1 . SER 94 94 25442 1 . LEU 95 95 25442 1 . GLN 96 96 25442 1 . LYS 97 97 25442 1 . TYR 98 98 25442 1 . TYR 99 99 25442 1 . GLU 100 100 25442 1 . ALA 101 101 25442 1 . VAL 102 102 25442 1 . LYS 103 103 25442 1 . GLU 104 104 25442 1 . GLU 105 105 25442 1 . LEU 106 106 25442 1 . ASP 107 107 25442 1 . ARG 108 108 25442 1 . ASP 109 109 25442 1 . ILE 110 110 25442 1 . VAL 111 111 25442 1 . SER 112 112 25442 1 . LYS 113 113 25442 1 . ASN 114 114 25442 1 . ASN 115 115 25442 1 . ALA 116 116 25442 1 . GLU 117 117 25442 1 . LYS 118 118 25442 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25442 _Entity.ID 2 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YDKPAPENRFAIMPGSRWDG VHRSNGFEEKWFAKQNEINE K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 302-342 in the deposited structure correspond to residues 315-355' _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 41 _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 4888.440 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UNP P46947 . 'Pre-mRNA-splicing factor CWC26' . . . . . . . . . . . . . . 25442 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 . TYR . 25442 2 2 . ASP . 25442 2 3 . LYS . 25442 2 4 . PRO . 25442 2 5 . ALA . 25442 2 6 . PRO . 25442 2 7 . GLU . 25442 2 8 . ASN . 25442 2 9 . ARG . 25442 2 10 . PHE . 25442 2 11 . ALA . 25442 2 12 . ILE . 25442 2 13 . MET . 25442 2 14 . PRO . 25442 2 15 . GLY . 25442 2 16 . SER . 25442 2 17 . ARG . 25442 2 18 . TRP . 25442 2 19 . ASP . 25442 2 20 . GLY . 25442 2 21 . VAL . 25442 2 22 . HIS . 25442 2 23 . ARG . 25442 2 24 . SER . 25442 2 25 . ASN . 25442 2 26 . GLY . 25442 2 27 . PHE . 25442 2 28 . GLU . 25442 2 29 . GLU . 25442 2 30 . LYS . 25442 2 31 . TRP . 25442 2 32 . PHE . 25442 2 33 . ALA . 25442 2 34 . LYS . 25442 2 35 . GLN . 25442 2 36 . ASN . 25442 2 37 . GLU . 25442 2 38 . ILE . 25442 2 39 . ASN . 25442 2 40 . GLU . 25442 2 41 . LYS . 25442 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 . TYR 1 1 25442 2 . ASP 2 2 25442 2 . LYS 3 3 25442 2 . PRO 4 4 25442 2 . ALA 5 5 25442 2 . PRO 6 6 25442 2 . GLU 7 7 25442 2 . ASN 8 8 25442 2 . ARG 9 9 25442 2 . PHE 10 10 25442 2 . ALA 11 11 25442 2 . ILE 12 12 25442 2 . MET 13 13 25442 2 . PRO 14 14 25442 2 . GLY 15 15 25442 2 . SER 16 16 25442 2 . ARG 17 17 25442 2 . TRP 18 18 25442 2 . ASP 19 19 25442 2 . GLY 20 20 25442 2 . VAL 21 21 25442 2 . HIS 22 22 25442 2 . ARG 23 23 25442 2 . SER 24 24 25442 2 . ASN 25 25 25442 2 . GLY 26 26 25442 2 . PHE 27 27 25442 2 . GLU 28 28 25442 2 . GLU 29 29 25442 2 . LYS 30 30 25442 2 . TRP 31 31 25442 2 . PHE 32 32 25442 2 . ALA 33 33 25442 2 . LYS 34 34 25442 2 . GLN 35 35 25442 2 . ASN 36 36 25442 2 . GLU 37 37 25442 2 . ILE 38 38 25442 2 . ASN 39 39 25442 2 . GLU 40 40 25442 2 . LYS 41 41 25442 2 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 25442 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . IST3 . 25442 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . BUD13 . 25442 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 25442 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pETM-11 . . . 25442 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'modified pET-28b with TEV cleavage site' . . . 25442 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25442 _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 . . . . 25442 1 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 25442 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25442 1 4 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . . 0.8 1 mM . . . . 25442 1 5 entity_2 'natural abundance' . . 2 $entity_2 . . . 1.0 1.2 mM . . . . 25442 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25442 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25442 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25442 _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 . . . . 25442 2 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 25442 2 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25442 2 4 entity_1 'natural abundance' . . . . . . . 1 1.2 mM . . . . 25442 2 5 entity_2 '[U-13C; U-15N]' . . 2 $entity_2 . . . 0.8 1 mM . . . . 25442 2 6 Snu17p 'natural abundance' . . 1 $entity_1 . . 90 . . % . . . . 25442 2 7 Snu17p 'natural abundance' . . . . . . 10 . . % . . . . 25442 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25442 _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 . . . . 25442 3 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 25442 3 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25442 3 4 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25442 3 5 entity_2 '[U-13C; U-15N]' . . 2 $entity_2 . . 1 . . mM . . . . 25442 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25442 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25442 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 25442 _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 25442 1 pressure 1 . atm 25442 1 temperature 308 . K 25442 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25442 _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' . . 25442 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25442 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25442 _Software.ID 2 _Software.Name X-PLOR_NIH _Software.Version 2.34 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25442 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinment 25442 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25442 _Software.ID 3 _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' . . 25442 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25442 3 stop_ save_ save_Analysis_CCPN _Software.Sf_category software _Software.Sf_framecode Analysis_CCPN _Software.Entry_ID 25442 _Software.ID 4 _Software.Name Analysis_CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25442 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25442 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25442 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25442 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25442 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 25442 _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 25442 _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 25442 _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 25442 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25442 _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' . . 25442 1 2 spectrometer_2 Bruker Avance . 800 'HCN cryoprobe' . . 25442 1 3 spectrometer_3 Bruker Avance . 700 'HCN cryoprobe' . . 25442 1 4 spectrometer_4 Bruker Avance . 600 'HCN cryoprobe' . . 25442 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 25442 _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 $sample_1 isotropic . . 1 $sample_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25442 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25442 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25442 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25442 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25442 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25442 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25442 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25442 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25442 1 15 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 16 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25442 1 17 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 18 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25442 1 19 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 20 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 1 21 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25442 1 22 HCCH-TOCSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25442 1 23 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25442 1 24 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25442 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 25442 _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 0.0 internal indirect 0.251449530 . . . . . . . . . 25442 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . . . . . 25442 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 25442 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_SHIFT_LIST _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SHIFT_LIST _Assigned_chem_shift_list.Entry_ID 25442 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 11 '3D 1H-13C NOESY aliphatic' . . . 25442 1 12 '3D 1H-13C NOESY aliphatic' . . . 25442 1 13 '3D 1H-13C NOESY aromatic' . . . 25442 1 14 '3D 1H-13C NOESY aromatic' . . . 25442 1 15 '3D HNCA' . . . 25442 1 16 '3D HNCA' . . . 25442 1 19 '3D HNCO' . . . 25442 1 20 '3D HNCO' . . . 25442 1 21 HCCH-TOCSY . . . 25442 1 22 HCCH-TOCSY . . . 25442 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 4 $Analysis_CCPN . . 25442 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 4.014 0.009 . . . . . A 1 GLY HA2 . 25442 1 2 . 1 1 1 1 GLY HA3 H 1 3.963 0.007 . . . . . A 1 GLY HA3 . 25442 1 3 . 1 1 1 1 GLY CA C 13 45.426 0.000 . . . . . A 1 GLY CA . 25442 1 4 . 1 1 2 2 ALA HA H 1 4.335 0.007 . . . . . A 2 ALA HA . 25442 1 5 . 1 1 2 2 ALA HB1 H 1 1.428 0.009 . . . . . A 2 ALA HB1 . 25442 1 6 . 1 1 2 2 ALA HB2 H 1 1.428 0.009 . . . . . A 2 ALA HB2 . 25442 1 7 . 1 1 2 2 ALA HB3 H 1 1.428 0.009 . . . . . A 2 ALA HB3 . 25442 1 8 . 1 1 2 2 ALA CA C 13 53.634 0.000 . . . . . A 2 ALA CA . 25442 1 9 . 1 1 2 2 ALA CB C 13 19.441 0.000 . . . . . A 2 ALA CB . 25442 1 10 . 1 1 3 3 MET H H 1 8.636 0.002 . . . . . A 3 MET H . 25442 1 11 . 1 1 3 3 MET HA H 1 4.499 0.006 . . . . . A 3 MET HA . 25442 1 12 . 1 1 3 3 MET HB2 H 1 2.025 0.005 . . . . . A 3 MET HB2 . 25442 1 13 . 1 1 3 3 MET HB3 H 1 2.102 0.003 . . . . . A 3 MET HB3 . 25442 1 14 . 1 1 3 3 MET HG2 H 1 2.528 0.003 . . . . . A 3 MET HG2 . 25442 1 15 . 1 1 3 3 MET HG3 H 1 2.590 0.004 . . . . . A 3 MET HG3 . 25442 1 16 . 1 1 3 3 MET HE1 H 1 2.051 0.005 . . . . . A 3 MET HE1 . 25442 1 17 . 1 1 3 3 MET HE2 H 1 2.051 0.005 . . . . . A 3 MET HE2 . 25442 1 18 . 1 1 3 3 MET HE3 H 1 2.051 0.005 . . . . . A 3 MET HE3 . 25442 1 19 . 1 1 3 3 MET CA C 13 55.772 0.000 . . . . . A 3 MET CA . 25442 1 20 . 1 1 3 3 MET CB C 13 32.968 0.000 . . . . . A 3 MET CB . 25442 1 21 . 1 1 3 3 MET CG C 13 32.224 0.018 . . . . . A 3 MET CG . 25442 1 22 . 1 1 3 3 MET CE C 13 17.036 0.095 . . . . . A 3 MET CE . 25442 1 23 . 1 1 3 3 MET N N 15 120.791 0.039 . . . . . A 3 MET N . 25442 1 24 . 1 1 4 4 GLY H H 1 8.391 0.000 . . . . . A 4 GLY H . 25442 1 25 . 1 1 4 4 GLY HA2 H 1 4.028 0.007 . . . . . A 4 GLY HA2 . 25442 1 26 . 1 1 4 4 GLY HA3 H 1 3.964 0.001 . . . . . A 4 GLY HA3 . 25442 1 27 . 1 1 4 4 GLY CA C 13 45.531 0.092 . . . . . A 4 GLY CA . 25442 1 28 . 1 1 4 4 GLY N N 15 109.879 0.000 . . . . . A 4 GLY N . 25442 1 29 . 1 1 5 5 ASN H H 1 7.954 0.006 . . . . . A 5 ASN H . 25442 1 30 . 1 1 5 5 ASN HA H 1 4.661 0.009 . . . . . A 5 ASN HA . 25442 1 31 . 1 1 5 5 ASN HB2 H 1 2.750 0.007 . . . . . A 5 ASN HB2 . 25442 1 32 . 1 1 5 5 ASN HB3 H 1 2.750 0.007 . . . . . A 5 ASN HB3 . 25442 1 33 . 1 1 5 5 ASN CA C 13 53.419 0.000 . . . . . A 5 ASN CA . 25442 1 34 . 1 1 5 5 ASN CB C 13 39.059 0.070 . . . . . A 5 ASN CB . 25442 1 35 . 1 1 5 5 ASN N N 15 124.309 0.025 . . . . . A 5 ASN N . 25442 1 36 . 1 1 7 7 TYR H H 1 8.013 0.001 . . . . . A 7 TYR H . 25442 1 37 . 1 1 7 7 TYR HA H 1 4.463 0.005 . . . . . A 7 TYR HA . 25442 1 38 . 1 1 7 7 TYR HB2 H 1 2.876 0.006 . . . . . A 7 TYR HB2 . 25442 1 39 . 1 1 7 7 TYR HB3 H 1 2.991 0.004 . . . . . A 7 TYR HB3 . 25442 1 40 . 1 1 7 7 TYR HD1 H 1 7.005 0.000 . . . . . A 7 TYR HD1 . 25442 1 41 . 1 1 7 7 TYR HD2 H 1 7.005 0.000 . . . . . A 7 TYR HD2 . 25442 1 42 . 1 1 7 7 TYR HE1 H 1 6.777 0.001 . . . . . A 7 TYR HE1 . 25442 1 43 . 1 1 7 7 TYR HE2 H 1 6.777 0.001 . . . . . A 7 TYR HE2 . 25442 1 44 . 1 1 7 7 TYR CA C 13 58.098 0.077 . . . . . A 7 TYR CA . 25442 1 45 . 1 1 7 7 TYR CB C 13 38.252 0.056 . . . . . A 7 TYR CB . 25442 1 46 . 1 1 7 7 TYR N N 15 120.088 0.009 . . . . . A 7 TYR N . 25442 1 47 . 1 1 8 8 LYS H H 1 7.845 0.002 . . . . . A 8 LYS H . 25442 1 48 . 1 1 8 8 LYS HA H 1 4.174 0.001 . . . . . A 8 LYS HA . 25442 1 49 . 1 1 8 8 LYS HB2 H 1 1.662 0.006 . . . . . A 8 LYS HB2 . 25442 1 50 . 1 1 8 8 LYS HB3 H 1 1.735 0.003 . . . . . A 8 LYS HB3 . 25442 1 51 . 1 1 8 8 LYS HG2 H 1 1.294 0.005 . . . . . A 8 LYS HG2 . 25442 1 52 . 1 1 8 8 LYS HG3 H 1 1.294 0.005 . . . . . A 8 LYS HG3 . 25442 1 53 . 1 1 8 8 LYS HD2 H 1 1.591 0.005 . . . . . A 8 LYS HD2 . 25442 1 54 . 1 1 8 8 LYS HD3 H 1 1.591 0.005 . . . . . A 8 LYS HD3 . 25442 1 55 . 1 1 8 8 LYS HE2 H 1 2.940 0.004 . . . . . A 8 LYS HE2 . 25442 1 56 . 1 1 8 8 LYS HE3 H 1 2.940 0.004 . . . . . A 8 LYS HE3 . 25442 1 57 . 1 1 8 8 LYS CA C 13 56.835 0.074 . . . . . A 8 LYS CA . 25442 1 58 . 1 1 8 8 LYS CB C 13 32.997 0.000 . . . . . A 8 LYS CB . 25442 1 59 . 1 1 8 8 LYS CG C 13 24.685 0.000 . . . . . A 8 LYS CG . 25442 1 60 . 1 1 8 8 LYS CD C 13 29.085 0.000 . . . . . A 8 LYS CD . 25442 1 61 . 1 1 8 8 LYS CE C 13 42.160 0.000 . . . . . A 8 LYS CE . 25442 1 62 . 1 1 8 8 LYS N N 15 121.766 0.029 . . . . . A 8 LYS N . 25442 1 63 . 1 1 9 9 ASP H H 1 8.043 0.007 . . . . . A 9 ASP H . 25442 1 64 . 1 1 9 9 ASP HA H 1 4.477 0.004 . . . . . A 9 ASP HA . 25442 1 65 . 1 1 9 9 ASP HB2 H 1 2.808 0.002 . . . . . A 9 ASP HB2 . 25442 1 66 . 1 1 9 9 ASP HB3 H 1 2.691 0.002 . . . . . A 9 ASP HB3 . 25442 1 67 . 1 1 9 9 ASP CA C 13 54.660 0.001 . . . . . A 9 ASP CA . 25442 1 68 . 1 1 9 9 ASP CB C 13 41.100 0.000 . . . . . A 9 ASP CB . 25442 1 69 . 1 1 9 9 ASP N N 15 119.739 0.019 . . . . . A 9 ASP N . 25442 1 70 . 1 1 10 10 ASN H H 1 8.174 0.002 . . . . . A 10 ASN H . 25442 1 71 . 1 1 10 10 ASN HA H 1 4.875 0.003 . . . . . A 10 ASN HA . 25442 1 72 . 1 1 10 10 ASN HB2 H 1 2.848 0.002 . . . . . A 10 ASN HB2 . 25442 1 73 . 1 1 10 10 ASN HB3 H 1 2.848 0.002 . . . . . A 10 ASN HB3 . 25442 1 74 . 1 1 10 10 ASN HD21 H 1 6.934 0.000 . . . . . A 10 ASN HD21 . 25442 1 75 . 1 1 10 10 ASN HD22 H 1 7.415 0.000 . . . . . A 10 ASN HD22 . 25442 1 76 . 1 1 10 10 ASN CA C 13 53.255 0.032 . . . . . A 10 ASN CA . 25442 1 77 . 1 1 10 10 ASN CB C 13 39.105 0.012 . . . . . A 10 ASN CB . 25442 1 78 . 1 1 10 10 ASN N N 15 119.260 0.037 . . . . . A 10 ASN N . 25442 1 79 . 1 1 10 10 ASN ND2 N 15 111.593 0.003 . . . . . A 10 ASN ND2 . 25442 1 80 . 1 1 11 11 ALA H H 1 8.299 0.002 . . . . . A 11 ALA H . 25442 1 81 . 1 1 11 11 ALA HA H 1 4.544 0.006 . . . . . A 11 ALA HA . 25442 1 82 . 1 1 11 11 ALA HB1 H 1 1.533 0.002 . . . . . A 11 ALA HB1 . 25442 1 83 . 1 1 11 11 ALA HB2 H 1 1.533 0.002 . . . . . A 11 ALA HB2 . 25442 1 84 . 1 1 11 11 ALA HB3 H 1 1.533 0.002 . . . . . A 11 ALA HB3 . 25442 1 85 . 1 1 11 11 ALA CA C 13 52.866 0.032 . . . . . A 11 ALA CA . 25442 1 86 . 1 1 11 11 ALA N N 15 122.869 0.013 . . . . . A 11 ALA N . 25442 1 87 . 1 1 12 12 TYR H H 1 8.340 0.009 . . . . . A 12 TYR H . 25442 1 88 . 1 1 12 12 TYR HA H 1 5.220 0.010 . . . . . A 12 TYR HA . 25442 1 89 . 1 1 12 12 TYR HB2 H 1 2.807 0.011 . . . . . A 12 TYR HB2 . 25442 1 90 . 1 1 12 12 TYR HB3 H 1 3.047 0.002 . . . . . A 12 TYR HB3 . 25442 1 91 . 1 1 12 12 TYR HD1 H 1 7.039 0.007 . . . . . A 12 TYR HD1 . 25442 1 92 . 1 1 12 12 TYR HD2 H 1 7.039 0.007 . . . . . A 12 TYR HD2 . 25442 1 93 . 1 1 12 12 TYR HE1 H 1 6.610 0.005 . . . . . A 12 TYR HE1 . 25442 1 94 . 1 1 12 12 TYR HE2 H 1 6.610 0.005 . . . . . A 12 TYR HE2 . 25442 1 95 . 1 1 12 12 TYR CA C 13 57.621 0.065 . . . . . A 12 TYR CA . 25442 1 96 . 1 1 12 12 TYR CB C 13 41.631 0.069 . . . . . A 12 TYR CB . 25442 1 97 . 1 1 12 12 TYR CD1 C 13 133.798 0.025 . . . . . A 12 TYR CD1 . 25442 1 98 . 1 1 12 12 TYR CD2 C 13 133.798 0.025 . . . . . A 12 TYR CD2 . 25442 1 99 . 1 1 12 12 TYR CE1 C 13 118.007 0.016 . . . . . A 12 TYR CE1 . 25442 1 100 . 1 1 12 12 TYR CE2 C 13 118.007 0.016 . . . . . A 12 TYR CE2 . 25442 1 101 . 1 1 12 12 TYR N N 15 117.351 0.043 . . . . . A 12 TYR N . 25442 1 102 . 1 1 13 13 ILE H H 1 9.216 0.006 . . . . . A 13 ILE H . 25442 1 103 . 1 1 13 13 ILE HA H 1 5.052 0.004 . . . . . A 13 ILE HA . 25442 1 104 . 1 1 13 13 ILE HB H 1 1.730 0.000 . . . . . A 13 ILE HB . 25442 1 105 . 1 1 13 13 ILE HG12 H 1 1.375 0.000 . . . . . A 13 ILE HG12 . 25442 1 106 . 1 1 13 13 ILE HG13 H 1 0.894 0.000 . . . . . A 13 ILE HG13 . 25442 1 107 . 1 1 13 13 ILE HG21 H 1 0.861 0.004 . . . . . A 13 ILE HG21 . 25442 1 108 . 1 1 13 13 ILE HG22 H 1 0.861 0.004 . . . . . A 13 ILE HG22 . 25442 1 109 . 1 1 13 13 ILE HG23 H 1 0.861 0.004 . . . . . A 13 ILE HG23 . 25442 1 110 . 1 1 13 13 ILE HD11 H 1 0.782 0.004 . . . . . A 13 ILE HD11 . 25442 1 111 . 1 1 13 13 ILE HD12 H 1 0.782 0.004 . . . . . A 13 ILE HD12 . 25442 1 112 . 1 1 13 13 ILE HD13 H 1 0.782 0.004 . . . . . A 13 ILE HD13 . 25442 1 113 . 1 1 13 13 ILE CA C 13 59.995 0.037 . . . . . A 13 ILE CA . 25442 1 114 . 1 1 13 13 ILE CB C 13 40.418 0.000 . . . . . A 13 ILE CB . 25442 1 115 . 1 1 13 13 ILE CG2 C 13 19.167 0.034 . . . . . A 13 ILE CG2 . 25442 1 116 . 1 1 13 13 ILE CD1 C 13 14.747 0.049 . . . . . A 13 ILE CD1 . 25442 1 117 . 1 1 13 13 ILE N N 15 112.184 0.033 . . . . . A 13 ILE N . 25442 1 118 . 1 1 14 14 TYR H H 1 9.086 0.007 . . . . . A 14 TYR H . 25442 1 119 . 1 1 14 14 TYR HA H 1 4.690 0.000 . . . . . A 14 TYR HA . 25442 1 120 . 1 1 14 14 TYR HB2 H 1 2.717 0.006 . . . . . A 14 TYR HB2 . 25442 1 121 . 1 1 14 14 TYR HB3 H 1 2.792 0.005 . . . . . A 14 TYR HB3 . 25442 1 122 . 1 1 14 14 TYR HD1 H 1 6.734 0.008 . . . . . A 14 TYR HD1 . 25442 1 123 . 1 1 14 14 TYR HD2 H 1 6.734 0.008 . . . . . A 14 TYR HD2 . 25442 1 124 . 1 1 14 14 TYR HE1 H 1 6.316 0.005 . . . . . A 14 TYR HE1 . 25442 1 125 . 1 1 14 14 TYR HE2 H 1 6.316 0.005 . . . . . A 14 TYR HE2 . 25442 1 126 . 1 1 14 14 TYR CA C 13 56.688 0.000 . . . . . A 14 TYR CA . 25442 1 127 . 1 1 14 14 TYR CB C 13 40.564 0.027 . . . . . A 14 TYR CB . 25442 1 128 . 1 1 14 14 TYR CD1 C 13 133.355 0.027 . . . . . A 14 TYR CD1 . 25442 1 129 . 1 1 14 14 TYR CD2 C 13 133.355 0.027 . . . . . A 14 TYR CD2 . 25442 1 130 . 1 1 14 14 TYR CE1 C 13 117.757 0.020 . . . . . A 14 TYR CE1 . 25442 1 131 . 1 1 14 14 TYR CE2 C 13 117.757 0.020 . . . . . A 14 TYR CE2 . 25442 1 132 . 1 1 14 14 TYR N N 15 123.504 0.034 . . . . . A 14 TYR N . 25442 1 133 . 1 1 15 15 ILE H H 1 8.448 0.003 . . . . . A 15 ILE H . 25442 1 134 . 1 1 15 15 ILE HA H 1 4.288 0.007 . . . . . A 15 ILE HA . 25442 1 135 . 1 1 15 15 ILE HB H 1 1.259 0.009 . . . . . A 15 ILE HB . 25442 1 136 . 1 1 15 15 ILE HG12 H 1 1.250 0.001 . . . . . A 15 ILE HG12 . 25442 1 137 . 1 1 15 15 ILE HG13 H 1 1.166 0.000 . . . . . A 15 ILE HG13 . 25442 1 138 . 1 1 15 15 ILE HG21 H 1 0.728 0.004 . . . . . A 15 ILE HG21 . 25442 1 139 . 1 1 15 15 ILE HG22 H 1 0.728 0.004 . . . . . A 15 ILE HG22 . 25442 1 140 . 1 1 15 15 ILE HG23 H 1 0.728 0.004 . . . . . A 15 ILE HG23 . 25442 1 141 . 1 1 15 15 ILE HD11 H 1 -0.243 0.004 . . . . . A 15 ILE HD11 . 25442 1 142 . 1 1 15 15 ILE HD12 H 1 -0.243 0.004 . . . . . A 15 ILE HD12 . 25442 1 143 . 1 1 15 15 ILE HD13 H 1 -0.243 0.004 . . . . . A 15 ILE HD13 . 25442 1 144 . 1 1 15 15 ILE CA C 13 59.654 0.069 . . . . . A 15 ILE CA . 25442 1 145 . 1 1 15 15 ILE CB C 13 40.260 0.020 . . . . . A 15 ILE CB . 25442 1 146 . 1 1 15 15 ILE CG1 C 13 26.391 0.000 . . . . . A 15 ILE CG1 . 25442 1 147 . 1 1 15 15 ILE CG2 C 13 19.182 0.042 . . . . . A 15 ILE CG2 . 25442 1 148 . 1 1 15 15 ILE CD1 C 13 15.209 0.038 . . . . . A 15 ILE CD1 . 25442 1 149 . 1 1 15 15 ILE N N 15 127.611 0.062 . . . . . A 15 ILE N . 25442 1 150 . 1 1 16 16 GLY H H 1 9.438 0.004 . . . . . A 16 GLY H . 25442 1 151 . 1 1 16 16 GLY HA2 H 1 3.634 0.009 . . . . . A 16 GLY HA2 . 25442 1 152 . 1 1 16 16 GLY HA3 H 1 3.634 0.009 . . . . . A 16 GLY HA3 . 25442 1 153 . 1 1 16 16 GLY CA C 13 43.240 0.068 . . . . . A 16 GLY CA . 25442 1 154 . 1 1 16 16 GLY N N 15 112.660 0.028 . . . . . A 16 GLY N . 25442 1 155 . 1 1 17 17 ASN H H 1 8.497 0.005 . . . . . A 17 ASN H . 25442 1 156 . 1 1 17 17 ASN HA H 1 4.439 0.007 . . . . . A 17 ASN HA . 25442 1 157 . 1 1 17 17 ASN HB2 H 1 3.876 0.011 . . . . . A 17 ASN HB2 . 25442 1 158 . 1 1 17 17 ASN HB3 H 1 2.473 0.009 . . . . . A 17 ASN HB3 . 25442 1 159 . 1 1 17 17 ASN HD21 H 1 6.919 0.009 . . . . . A 17 ASN HD21 . 25442 1 160 . 1 1 17 17 ASN HD22 H 1 8.485 0.007 . . . . . A 17 ASN HD22 . 25442 1 161 . 1 1 17 17 ASN CA C 13 53.251 0.130 . . . . . A 17 ASN CA . 25442 1 162 . 1 1 17 17 ASN CB C 13 38.259 0.044 . . . . . A 17 ASN CB . 25442 1 163 . 1 1 17 17 ASN N N 15 114.980 0.028 . . . . . A 17 ASN N . 25442 1 164 . 1 1 17 17 ASN ND2 N 15 112.448 0.024 . . . . . A 17 ASN ND2 . 25442 1 165 . 1 1 18 18 LEU H H 1 7.859 0.003 . . . . . A 18 LEU H . 25442 1 166 . 1 1 18 18 LEU HA H 1 4.068 0.005 . . . . . A 18 LEU HA . 25442 1 167 . 1 1 18 18 LEU HB2 H 1 1.099 0.006 . . . . . A 18 LEU HB2 . 25442 1 168 . 1 1 18 18 LEU HB3 H 1 1.212 0.005 . . . . . A 18 LEU HB3 . 25442 1 169 . 1 1 18 18 LEU HG H 1 1.243 0.003 . . . . . A 18 LEU HG . 25442 1 170 . 1 1 18 18 LEU HD11 H 1 0.402 0.004 . . . . . A 18 LEU HD11 . 25442 1 171 . 1 1 18 18 LEU HD12 H 1 0.402 0.004 . . . . . A 18 LEU HD12 . 25442 1 172 . 1 1 18 18 LEU HD13 H 1 0.402 0.004 . . . . . A 18 LEU HD13 . 25442 1 173 . 1 1 18 18 LEU HD21 H 1 0.641 0.005 . . . . . A 18 LEU HD21 . 25442 1 174 . 1 1 18 18 LEU HD22 H 1 0.641 0.005 . . . . . A 18 LEU HD22 . 25442 1 175 . 1 1 18 18 LEU HD23 H 1 0.641 0.005 . . . . . A 18 LEU HD23 . 25442 1 176 . 1 1 18 18 LEU CA C 13 54.073 0.048 . . . . . A 18 LEU CA . 25442 1 177 . 1 1 18 18 LEU CB C 13 42.912 0.016 . . . . . A 18 LEU CB . 25442 1 178 . 1 1 18 18 LEU CG C 13 26.447 0.020 . . . . . A 18 LEU CG . 25442 1 179 . 1 1 18 18 LEU CD1 C 13 26.457 0.043 . . . . . A 18 LEU CD1 . 25442 1 180 . 1 1 18 18 LEU CD2 C 13 23.831 0.034 . . . . . A 18 LEU CD2 . 25442 1 181 . 1 1 18 18 LEU N N 15 115.182 0.019 . . . . . A 18 LEU N . 25442 1 182 . 1 1 19 19 ASN H H 1 8.727 0.004 . . . . . A 19 ASN H . 25442 1 183 . 1 1 19 19 ASN HA H 1 4.464 0.003 . . . . . A 19 ASN HA . 25442 1 184 . 1 1 19 19 ASN HB2 H 1 2.824 0.003 . . . . . A 19 ASN HB2 . 25442 1 185 . 1 1 19 19 ASN HB3 H 1 2.720 0.004 . . . . . A 19 ASN HB3 . 25442 1 186 . 1 1 19 19 ASN HD21 H 1 7.148 0.000 . . . . . A 19 ASN HD21 . 25442 1 187 . 1 1 19 19 ASN HD22 H 1 8.071 0.000 . . . . . A 19 ASN HD22 . 25442 1 188 . 1 1 19 19 ASN CA C 13 54.087 0.050 . . . . . A 19 ASN CA . 25442 1 189 . 1 1 19 19 ASN CB C 13 38.703 0.014 . . . . . A 19 ASN CB . 25442 1 190 . 1 1 19 19 ASN N N 15 122.392 0.023 . . . . . A 19 ASN N . 25442 1 191 . 1 1 19 19 ASN ND2 N 15 114.581 0.004 . . . . . A 19 ASN ND2 . 25442 1 192 . 1 1 20 20 ARG H H 1 8.940 0.002 . . . . . A 20 ARG H . 25442 1 193 . 1 1 20 20 ARG HA H 1 3.937 0.007 . . . . . A 20 ARG HA . 25442 1 194 . 1 1 20 20 ARG HB2 H 1 2.056 0.000 . . . . . A 20 ARG HB2 . 25442 1 195 . 1 1 20 20 ARG HB3 H 1 1.914 0.000 . . . . . A 20 ARG HB3 . 25442 1 196 . 1 1 20 20 ARG HG2 H 1 1.618 0.006 . . . . . A 20 ARG HG2 . 25442 1 197 . 1 1 20 20 ARG HG3 H 1 1.790 0.002 . . . . . A 20 ARG HG3 . 25442 1 198 . 1 1 20 20 ARG HD2 H 1 3.184 0.004 . . . . . A 20 ARG HD2 . 25442 1 199 . 1 1 20 20 ARG HD3 H 1 3.236 0.002 . . . . . A 20 ARG HD3 . 25442 1 200 . 1 1 20 20 ARG CA C 13 58.719 0.063 . . . . . A 20 ARG CA . 25442 1 201 . 1 1 20 20 ARG CB C 13 29.719 0.022 . . . . . A 20 ARG CB . 25442 1 202 . 1 1 20 20 ARG CG C 13 27.708 0.034 . . . . . A 20 ARG CG . 25442 1 203 . 1 1 20 20 ARG CD C 13 43.073 0.044 . . . . . A 20 ARG CD . 25442 1 204 . 1 1 20 20 ARG N N 15 126.283 0.038 . . . . . A 20 ARG N . 25442 1 205 . 1 1 21 21 GLU H H 1 8.867 0.002 . . . . . A 21 GLU H . 25442 1 206 . 1 1 21 21 GLU HA H 1 4.321 0.006 . . . . . A 21 GLU HA . 25442 1 207 . 1 1 21 21 GLU HB2 H 1 1.472 0.000 . . . . . A 21 GLU HB2 . 25442 1 208 . 1 1 21 21 GLU HB3 H 1 1.419 0.000 . . . . . A 21 GLU HB3 . 25442 1 209 . 1 1 21 21 GLU HG2 H 1 1.781 0.003 . . . . . A 21 GLU HG2 . 25442 1 210 . 1 1 21 21 GLU HG3 H 1 1.869 0.004 . . . . . A 21 GLU HG3 . 25442 1 211 . 1 1 21 21 GLU CA C 13 56.778 0.052 . . . . . A 21 GLU CA . 25442 1 212 . 1 1 21 21 GLU CG C 13 33.036 0.000 . . . . . A 21 GLU CG . 25442 1 213 . 1 1 21 21 GLU N N 15 117.166 0.054 . . . . . A 21 GLU N . 25442 1 214 . 1 1 22 22 LEU H H 1 7.324 0.005 . . . . . A 22 LEU H . 25442 1 215 . 1 1 22 22 LEU HA H 1 4.540 0.007 . . . . . A 22 LEU HA . 25442 1 216 . 1 1 22 22 LEU HB2 H 1 1.835 0.013 . . . . . A 22 LEU HB2 . 25442 1 217 . 1 1 22 22 LEU HB3 H 1 1.334 0.006 . . . . . A 22 LEU HB3 . 25442 1 218 . 1 1 22 22 LEU HG H 1 1.751 0.003 . . . . . A 22 LEU HG . 25442 1 219 . 1 1 22 22 LEU HD11 H 1 0.856 0.003 . . . . . A 22 LEU HD11 . 25442 1 220 . 1 1 22 22 LEU HD12 H 1 0.856 0.003 . . . . . A 22 LEU HD12 . 25442 1 221 . 1 1 22 22 LEU HD13 H 1 0.856 0.003 . . . . . A 22 LEU HD13 . 25442 1 222 . 1 1 22 22 LEU HD21 H 1 0.975 0.004 . . . . . A 22 LEU HD21 . 25442 1 223 . 1 1 22 22 LEU HD22 H 1 0.975 0.004 . . . . . A 22 LEU HD22 . 25442 1 224 . 1 1 22 22 LEU HD23 H 1 0.975 0.004 . . . . . A 22 LEU HD23 . 25442 1 225 . 1 1 22 22 LEU CA C 13 55.505 0.033 . . . . . A 22 LEU CA . 25442 1 226 . 1 1 22 22 LEU CB C 13 42.251 0.070 . . . . . A 22 LEU CB . 25442 1 227 . 1 1 22 22 LEU CG C 13 27.539 0.029 . . . . . A 22 LEU CG . 25442 1 228 . 1 1 22 22 LEU CD1 C 13 23.164 0.034 . . . . . A 22 LEU CD1 . 25442 1 229 . 1 1 22 22 LEU CD2 C 13 27.187 0.029 . . . . . A 22 LEU CD2 . 25442 1 230 . 1 1 22 22 LEU N N 15 119.643 0.034 . . . . . A 22 LEU N . 25442 1 231 . 1 1 23 23 THR H H 1 9.483 0.006 . . . . . A 23 THR H . 25442 1 232 . 1 1 23 23 THR HA H 1 4.483 0.011 . . . . . A 23 THR HA . 25442 1 233 . 1 1 23 23 THR HB H 1 4.547 0.004 . . . . . A 23 THR HB . 25442 1 234 . 1 1 23 23 THR HG21 H 1 1.316 0.003 . . . . . A 23 THR HG21 . 25442 1 235 . 1 1 23 23 THR HG22 H 1 1.316 0.003 . . . . . A 23 THR HG22 . 25442 1 236 . 1 1 23 23 THR HG23 H 1 1.316 0.003 . . . . . A 23 THR HG23 . 25442 1 237 . 1 1 23 23 THR CA C 13 60.155 0.038 . . . . . A 23 THR CA . 25442 1 238 . 1 1 23 23 THR CB C 13 73.000 0.000 . . . . . A 23 THR CB . 25442 1 239 . 1 1 23 23 THR CG2 C 13 21.775 0.030 . . . . . A 23 THR CG2 . 25442 1 240 . 1 1 23 23 THR N N 15 114.564 0.037 . . . . . A 23 THR N . 25442 1 241 . 1 1 24 24 GLU H H 1 10.410 0.006 . . . . . A 24 GLU H . 25442 1 242 . 1 1 24 24 GLU HA H 1 3.604 0.006 . . . . . A 24 GLU HA . 25442 1 243 . 1 1 24 24 GLU HG2 H 1 2.615 0.003 . . . . . A 24 GLU HG2 . 25442 1 244 . 1 1 24 24 GLU HG3 H 1 2.101 0.004 . . . . . A 24 GLU HG3 . 25442 1 245 . 1 1 24 24 GLU CA C 13 62.158 0.067 . . . . . A 24 GLU CA . 25442 1 246 . 1 1 24 24 GLU CG C 13 38.240 0.028 . . . . . A 24 GLU CG . 25442 1 247 . 1 1 24 24 GLU N N 15 120.458 0.038 . . . . . A 24 GLU N . 25442 1 248 . 1 1 25 25 GLY H H 1 8.402 0.000 . . . . . A 25 GLY H . 25442 1 249 . 1 1 25 25 GLY HA2 H 1 3.746 0.003 . . . . . A 25 GLY HA2 . 25442 1 250 . 1 1 25 25 GLY HA3 H 1 3.969 0.003 . . . . . A 25 GLY HA3 . 25442 1 251 . 1 1 25 25 GLY CA C 13 47.219 0.065 . . . . . A 25 GLY CA . 25442 1 252 . 1 1 25 25 GLY N N 15 105.261 0.000 . . . . . A 25 GLY N . 25442 1 253 . 1 1 26 26 ASP H H 1 7.539 0.004 . . . . . A 26 ASP H . 25442 1 254 . 1 1 26 26 ASP HA H 1 4.515 0.004 . . . . . A 26 ASP HA . 25442 1 255 . 1 1 26 26 ASP HB2 H 1 2.693 0.000 . . . . . A 26 ASP HB2 . 25442 1 256 . 1 1 26 26 ASP HB3 H 1 3.010 0.004 . . . . . A 26 ASP HB3 . 25442 1 257 . 1 1 26 26 ASP CA C 13 58.005 0.031 . . . . . A 26 ASP CA . 25442 1 258 . 1 1 26 26 ASP CB C 13 41.261 0.000 . . . . . A 26 ASP CB . 25442 1 259 . 1 1 26 26 ASP N N 15 122.820 0.052 . . . . . A 26 ASP N . 25442 1 260 . 1 1 27 27 ILE H H 1 7.832 0.004 . . . . . A 27 ILE H . 25442 1 261 . 1 1 27 27 ILE HA H 1 3.609 0.005 . . . . . A 27 ILE HA . 25442 1 262 . 1 1 27 27 ILE HB H 1 1.930 0.007 . . . . . A 27 ILE HB . 25442 1 263 . 1 1 27 27 ILE HG12 H 1 1.622 0.006 . . . . . A 27 ILE HG12 . 25442 1 264 . 1 1 27 27 ILE HG13 H 1 0.868 0.011 . . . . . A 27 ILE HG13 . 25442 1 265 . 1 1 27 27 ILE HG21 H 1 0.521 0.006 . . . . . A 27 ILE HG21 . 25442 1 266 . 1 1 27 27 ILE HG22 H 1 0.521 0.006 . . . . . A 27 ILE HG22 . 25442 1 267 . 1 1 27 27 ILE HG23 H 1 0.521 0.006 . . . . . A 27 ILE HG23 . 25442 1 268 . 1 1 27 27 ILE HD11 H 1 0.548 0.005 . . . . . A 27 ILE HD11 . 25442 1 269 . 1 1 27 27 ILE HD12 H 1 0.548 0.005 . . . . . A 27 ILE HD12 . 25442 1 270 . 1 1 27 27 ILE HD13 H 1 0.548 0.005 . . . . . A 27 ILE HD13 . 25442 1 271 . 1 1 27 27 ILE CA C 13 65.348 0.021 . . . . . A 27 ILE CA . 25442 1 272 . 1 1 27 27 ILE CB C 13 37.789 0.043 . . . . . A 27 ILE CB . 25442 1 273 . 1 1 27 27 ILE CG1 C 13 28.768 0.039 . . . . . A 27 ILE CG1 . 25442 1 274 . 1 1 27 27 ILE CG2 C 13 18.429 0.033 . . . . . A 27 ILE CG2 . 25442 1 275 . 1 1 27 27 ILE CD1 C 13 13.719 0.026 . . . . . A 27 ILE CD1 . 25442 1 276 . 1 1 27 27 ILE N N 15 118.686 0.027 . . . . . A 27 ILE N . 25442 1 277 . 1 1 28 28 LEU H H 1 8.731 0.004 . . . . . A 28 LEU H . 25442 1 278 . 1 1 28 28 LEU HA H 1 3.790 0.010 . . . . . A 28 LEU HA . 25442 1 279 . 1 1 28 28 LEU HB2 H 1 1.385 0.007 . . . . . A 28 LEU HB2 . 25442 1 280 . 1 1 28 28 LEU HB3 H 1 2.033 0.010 . . . . . A 28 LEU HB3 . 25442 1 281 . 1 1 28 28 LEU HG H 1 1.673 0.006 . . . . . A 28 LEU HG . 25442 1 282 . 1 1 28 28 LEU HD11 H 1 0.761 0.004 . . . . . A 28 LEU HD11 . 25442 1 283 . 1 1 28 28 LEU HD12 H 1 0.761 0.004 . . . . . A 28 LEU HD12 . 25442 1 284 . 1 1 28 28 LEU HD13 H 1 0.761 0.004 . . . . . A 28 LEU HD13 . 25442 1 285 . 1 1 28 28 LEU HD21 H 1 0.831 0.013 . . . . . A 28 LEU HD21 . 25442 1 286 . 1 1 28 28 LEU HD22 H 1 0.831 0.013 . . . . . A 28 LEU HD22 . 25442 1 287 . 1 1 28 28 LEU HD23 H 1 0.831 0.013 . . . . . A 28 LEU HD23 . 25442 1 288 . 1 1 28 28 LEU CA C 13 59.040 0.067 . . . . . A 28 LEU CA . 25442 1 289 . 1 1 28 28 LEU CB C 13 42.520 0.028 . . . . . A 28 LEU CB . 25442 1 290 . 1 1 28 28 LEU CG C 13 27.086 0.063 . . . . . A 28 LEU CG . 25442 1 291 . 1 1 28 28 LEU CD1 C 13 24.187 0.033 . . . . . A 28 LEU CD1 . 25442 1 292 . 1 1 28 28 LEU CD2 C 13 24.774 0.021 . . . . . A 28 LEU CD2 . 25442 1 293 . 1 1 28 28 LEU N N 15 119.737 0.030 . . . . . A 28 LEU N . 25442 1 294 . 1 1 29 29 THR H H 1 8.251 0.003 . . . . . A 29 THR H . 25442 1 295 . 1 1 29 29 THR HA H 1 4.045 0.003 . . . . . A 29 THR HA . 25442 1 296 . 1 1 29 29 THR HB H 1 4.462 0.005 . . . . . A 29 THR HB . 25442 1 297 . 1 1 29 29 THR HG21 H 1 1.449 0.004 . . . . . A 29 THR HG21 . 25442 1 298 . 1 1 29 29 THR HG22 H 1 1.449 0.004 . . . . . A 29 THR HG22 . 25442 1 299 . 1 1 29 29 THR HG23 H 1 1.449 0.004 . . . . . A 29 THR HG23 . 25442 1 300 . 1 1 29 29 THR CA C 13 67.196 0.072 . . . . . A 29 THR CA . 25442 1 301 . 1 1 29 29 THR CB C 13 69.194 0.053 . . . . . A 29 THR CB . 25442 1 302 . 1 1 29 29 THR CG2 C 13 21.889 0.053 . . . . . A 29 THR CG2 . 25442 1 303 . 1 1 29 29 THR N N 15 119.509 0.031 . . . . . A 29 THR N . 25442 1 304 . 1 1 30 30 VAL H H 1 7.627 0.006 . . . . . A 30 VAL H . 25442 1 305 . 1 1 30 30 VAL HA H 1 3.869 0.008 . . . . . A 30 VAL HA . 25442 1 306 . 1 1 30 30 VAL HB H 1 2.181 0.013 . . . . . A 30 VAL HB . 25442 1 307 . 1 1 30 30 VAL HG11 H 1 1.098 0.004 . . . . . A 30 VAL HG11 . 25442 1 308 . 1 1 30 30 VAL HG12 H 1 1.098 0.004 . . . . . A 30 VAL HG12 . 25442 1 309 . 1 1 30 30 VAL HG13 H 1 1.098 0.004 . . . . . A 30 VAL HG13 . 25442 1 310 . 1 1 30 30 VAL HG21 H 1 0.542 0.004 . . . . . A 30 VAL HG21 . 25442 1 311 . 1 1 30 30 VAL HG22 H 1 0.542 0.004 . . . . . A 30 VAL HG22 . 25442 1 312 . 1 1 30 30 VAL HG23 H 1 0.542 0.004 . . . . . A 30 VAL HG23 . 25442 1 313 . 1 1 30 30 VAL CA C 13 65.727 0.084 . . . . . A 30 VAL CA . 25442 1 314 . 1 1 30 30 VAL CB C 13 32.912 0.041 . . . . . A 30 VAL CB . 25442 1 315 . 1 1 30 30 VAL CG1 C 13 21.731 0.042 . . . . . A 30 VAL CG1 . 25442 1 316 . 1 1 30 30 VAL CG2 C 13 20.802 0.036 . . . . . A 30 VAL CG2 . 25442 1 317 . 1 1 30 30 VAL N N 15 117.974 0.049 . . . . . A 30 VAL N . 25442 1 318 . 1 1 31 31 PHE H H 1 8.903 0.005 . . . . . A 31 PHE H . 25442 1 319 . 1 1 31 31 PHE HA H 1 3.908 0.005 . . . . . A 31 PHE HA . 25442 1 320 . 1 1 31 31 PHE HB2 H 1 3.070 0.004 . . . . . A 31 PHE HB2 . 25442 1 321 . 1 1 31 31 PHE HB3 H 1 2.911 0.015 . . . . . A 31 PHE HB3 . 25442 1 322 . 1 1 31 31 PHE HD2 H 1 7.810 0.007 . . . . . A 31 PHE HD2 . 25442 1 323 . 1 1 31 31 PHE HE2 H 1 6.992 0.008 . . . . . A 31 PHE HE2 . 25442 1 324 . 1 1 31 31 PHE CA C 13 62.044 0.029 . . . . . A 31 PHE CA . 25442 1 325 . 1 1 31 31 PHE CB C 13 37.217 0.006 . . . . . A 31 PHE CB . 25442 1 326 . 1 1 31 31 PHE CD2 C 13 132.109 0.038 . . . . . A 31 PHE CD2 . 25442 1 327 . 1 1 31 31 PHE CE2 C 13 130.536 0.049 . . . . . A 31 PHE CE2 . 25442 1 328 . 1 1 31 31 PHE N N 15 113.937 0.053 . . . . . A 31 PHE N . 25442 1 329 . 1 1 32 32 SER H H 1 8.024 0.004 . . . . . A 32 SER H . 25442 1 330 . 1 1 32 32 SER HA H 1 5.405 0.008 . . . . . A 32 SER HA . 25442 1 331 . 1 1 32 32 SER HB2 H 1 4.126 0.001 . . . . . A 32 SER HB2 . 25442 1 332 . 1 1 32 32 SER HB3 H 1 4.077 0.002 . . . . . A 32 SER HB3 . 25442 1 333 . 1 1 32 32 SER CA C 13 61.282 0.050 . . . . . A 32 SER CA . 25442 1 334 . 1 1 32 32 SER CB C 13 64.055 0.000 . . . . . A 32 SER CB . 25442 1 335 . 1 1 32 32 SER N N 15 118.854 0.021 . . . . . A 32 SER N . 25442 1 336 . 1 1 33 33 GLU H H 1 6.935 0.006 . . . . . A 33 GLU H . 25442 1 337 . 1 1 33 33 GLU HA H 1 2.246 0.004 . . . . . A 33 GLU HA . 25442 1 338 . 1 1 33 33 GLU HG2 H 1 0.519 0.001 . . . . . A 33 GLU HG2 . 25442 1 339 . 1 1 33 33 GLU HG3 H 1 0.476 0.000 . . . . . A 33 GLU HG3 . 25442 1 340 . 1 1 33 33 GLU CA C 13 59.596 0.010 . . . . . A 33 GLU CA . 25442 1 341 . 1 1 33 33 GLU CG C 13 34.440 0.049 . . . . . A 33 GLU CG . 25442 1 342 . 1 1 33 33 GLU N N 15 121.203 0.049 . . . . . A 33 GLU N . 25442 1 343 . 1 1 34 34 TYR H H 1 6.254 0.003 . . . . . A 34 TYR H . 25442 1 344 . 1 1 34 34 TYR HA H 1 4.953 0.012 . . . . . A 34 TYR HA . 25442 1 345 . 1 1 34 34 TYR HB2 H 1 2.246 0.003 . . . . . A 34 TYR HB2 . 25442 1 346 . 1 1 34 34 TYR HB3 H 1 3.433 0.002 . . . . . A 34 TYR HB3 . 25442 1 347 . 1 1 34 34 TYR HD1 H 1 6.657 0.008 . . . . . A 34 TYR HD1 . 25442 1 348 . 1 1 34 34 TYR HD2 H 1 6.657 0.008 . . . . . A 34 TYR HD2 . 25442 1 349 . 1 1 34 34 TYR HE1 H 1 6.527 0.006 . . . . . A 34 TYR HE1 . 25442 1 350 . 1 1 34 34 TYR HE2 H 1 6.527 0.006 . . . . . A 34 TYR HE2 . 25442 1 351 . 1 1 34 34 TYR CA C 13 57.226 0.044 . . . . . A 34 TYR CA . 25442 1 352 . 1 1 34 34 TYR CB C 13 38.821 0.000 . . . . . A 34 TYR CB . 25442 1 353 . 1 1 34 34 TYR CD1 C 13 132.101 0.056 . . . . . A 34 TYR CD1 . 25442 1 354 . 1 1 34 34 TYR CD2 C 13 132.101 0.056 . . . . . A 34 TYR CD2 . 25442 1 355 . 1 1 34 34 TYR CE1 C 13 117.902 0.050 . . . . . A 34 TYR CE1 . 25442 1 356 . 1 1 34 34 TYR CE2 C 13 117.902 0.050 . . . . . A 34 TYR CE2 . 25442 1 357 . 1 1 34 34 TYR N N 15 108.039 0.033 . . . . . A 34 TYR N . 25442 1 358 . 1 1 35 35 GLY H H 1 7.247 0.004 . . . . . A 35 GLY H . 25442 1 359 . 1 1 35 35 GLY HA2 H 1 3.710 0.010 . . . . . A 35 GLY HA2 . 25442 1 360 . 1 1 35 35 GLY HA3 H 1 4.184 0.003 . . . . . A 35 GLY HA3 . 25442 1 361 . 1 1 35 35 GLY CA C 13 44.594 0.036 . . . . . A 35 GLY CA . 25442 1 362 . 1 1 35 35 GLY N N 15 103.601 0.036 . . . . . A 35 GLY N . 25442 1 363 . 1 1 36 36 VAL H H 1 8.549 0.005 . . . . . A 36 VAL H . 25442 1 364 . 1 1 36 36 VAL HA H 1 4.537 0.008 . . . . . A 36 VAL HA . 25442 1 365 . 1 1 36 36 VAL HB H 1 2.103 0.009 . . . . . A 36 VAL HB . 25442 1 366 . 1 1 36 36 VAL HG11 H 1 0.905 0.000 . . . . . A 36 VAL HG11 . 25442 1 367 . 1 1 36 36 VAL HG12 H 1 0.905 0.000 . . . . . A 36 VAL HG12 . 25442 1 368 . 1 1 36 36 VAL HG13 H 1 0.905 0.000 . . . . . A 36 VAL HG13 . 25442 1 369 . 1 1 36 36 VAL HG21 H 1 1.042 0.007 . . . . . A 36 VAL HG21 . 25442 1 370 . 1 1 36 36 VAL HG22 H 1 1.042 0.007 . . . . . A 36 VAL HG22 . 25442 1 371 . 1 1 36 36 VAL HG23 H 1 1.042 0.007 . . . . . A 36 VAL HG23 . 25442 1 372 . 1 1 36 36 VAL CA C 13 59.942 0.017 . . . . . A 36 VAL CA . 25442 1 373 . 1 1 36 36 VAL CB C 13 33.989 0.017 . . . . . A 36 VAL CB . 25442 1 374 . 1 1 36 36 VAL CG1 C 13 20.982 0.000 . . . . . A 36 VAL CG1 . 25442 1 375 . 1 1 36 36 VAL CG2 C 13 21.138 0.082 . . . . . A 36 VAL CG2 . 25442 1 376 . 1 1 36 36 VAL N N 15 120.482 0.030 . . . . . A 36 VAL N . 25442 1 377 . 1 1 37 37 PRO HA H 1 4.543 0.000 . . . . . A 37 PRO HA . 25442 1 378 . 1 1 37 37 PRO HB2 H 1 1.655 0.003 . . . . . A 37 PRO HB2 . 25442 1 379 . 1 1 37 37 PRO HB3 H 1 1.611 0.002 . . . . . A 37 PRO HB3 . 25442 1 380 . 1 1 37 37 PRO HG2 H 1 1.448 0.008 . . . . . A 37 PRO HG2 . 25442 1 381 . 1 1 37 37 PRO HG3 H 1 1.949 0.005 . . . . . A 37 PRO HG3 . 25442 1 382 . 1 1 37 37 PRO HD2 H 1 3.684 0.005 . . . . . A 37 PRO HD2 . 25442 1 383 . 1 1 37 37 PRO CA C 13 62.043 0.000 . . . . . A 37 PRO CA . 25442 1 384 . 1 1 37 37 PRO CB C 13 31.531 0.035 . . . . . A 37 PRO CB . 25442 1 385 . 1 1 37 37 PRO CG C 13 28.467 0.026 . . . . . A 37 PRO CG . 25442 1 386 . 1 1 37 37 PRO CD C 13 52.144 0.027 . . . . . A 37 PRO CD . 25442 1 387 . 1 1 38 38 VAL H H 1 9.099 0.005 . . . . . A 38 VAL H . 25442 1 388 . 1 1 38 38 VAL HA H 1 4.439 0.004 . . . . . A 38 VAL HA . 25442 1 389 . 1 1 38 38 VAL HB H 1 2.150 0.005 . . . . . A 38 VAL HB . 25442 1 390 . 1 1 38 38 VAL HG11 H 1 0.578 0.005 . . . . . A 38 VAL HG11 . 25442 1 391 . 1 1 38 38 VAL HG12 H 1 0.578 0.005 . . . . . A 38 VAL HG12 . 25442 1 392 . 1 1 38 38 VAL HG13 H 1 0.578 0.005 . . . . . A 38 VAL HG13 . 25442 1 393 . 1 1 38 38 VAL HG21 H 1 0.908 0.006 . . . . . A 38 VAL HG21 . 25442 1 394 . 1 1 38 38 VAL HG22 H 1 0.908 0.006 . . . . . A 38 VAL HG22 . 25442 1 395 . 1 1 38 38 VAL HG23 H 1 0.908 0.006 . . . . . A 38 VAL HG23 . 25442 1 396 . 1 1 38 38 VAL CA C 13 61.064 0.031 . . . . . A 38 VAL CA . 25442 1 397 . 1 1 38 38 VAL CB C 13 32.842 0.012 . . . . . A 38 VAL CB . 25442 1 398 . 1 1 38 38 VAL CG1 C 13 18.852 0.030 . . . . . A 38 VAL CG1 . 25442 1 399 . 1 1 38 38 VAL CG2 C 13 21.392 0.059 . . . . . A 38 VAL CG2 . 25442 1 400 . 1 1 38 38 VAL N N 15 118.566 0.038 . . . . . A 38 VAL N . 25442 1 401 . 1 1 39 39 ASP H H 1 7.300 0.004 . . . . . A 39 ASP H . 25442 1 402 . 1 1 39 39 ASP HA H 1 4.920 0.007 . . . . . A 39 ASP HA . 25442 1 403 . 1 1 39 39 ASP HB2 H 1 2.428 0.005 . . . . . A 39 ASP HB2 . 25442 1 404 . 1 1 39 39 ASP HB3 H 1 2.650 0.005 . . . . . A 39 ASP HB3 . 25442 1 405 . 1 1 39 39 ASP CA C 13 54.860 0.058 . . . . . A 39 ASP CA . 25442 1 406 . 1 1 39 39 ASP CB C 13 44.441 0.018 . . . . . A 39 ASP CB . 25442 1 407 . 1 1 39 39 ASP N N 15 118.912 0.043 . . . . . A 39 ASP N . 25442 1 408 . 1 1 40 40 VAL H H 1 8.052 0.004 . . . . . A 40 VAL H . 25442 1 409 . 1 1 40 40 VAL HA H 1 4.759 0.006 . . . . . A 40 VAL HA . 25442 1 410 . 1 1 40 40 VAL HB H 1 1.918 0.007 . . . . . A 40 VAL HB . 25442 1 411 . 1 1 40 40 VAL HG11 H 1 0.724 0.003 . . . . . A 40 VAL HG11 . 25442 1 412 . 1 1 40 40 VAL HG12 H 1 0.724 0.003 . . . . . A 40 VAL HG12 . 25442 1 413 . 1 1 40 40 VAL HG13 H 1 0.724 0.003 . . . . . A 40 VAL HG13 . 25442 1 414 . 1 1 40 40 VAL HG21 H 1 0.771 0.002 . . . . . A 40 VAL HG21 . 25442 1 415 . 1 1 40 40 VAL HG22 H 1 0.771 0.002 . . . . . A 40 VAL HG22 . 25442 1 416 . 1 1 40 40 VAL HG23 H 1 0.771 0.002 . . . . . A 40 VAL HG23 . 25442 1 417 . 1 1 40 40 VAL CA C 13 61.259 0.035 . . . . . A 40 VAL CA . 25442 1 418 . 1 1 40 40 VAL CB C 13 34.464 0.019 . . . . . A 40 VAL CB . 25442 1 419 . 1 1 40 40 VAL CG1 C 13 21.575 0.021 . . . . . A 40 VAL CG1 . 25442 1 420 . 1 1 40 40 VAL CG2 C 13 20.106 0.024 . . . . . A 40 VAL CG2 . 25442 1 421 . 1 1 40 40 VAL N N 15 123.365 0.079 . . . . . A 40 VAL N . 25442 1 422 . 1 1 41 41 ILE H H 1 9.031 0.005 . . . . . A 41 ILE H . 25442 1 423 . 1 1 41 41 ILE HA H 1 4.361 0.005 . . . . . A 41 ILE HA . 25442 1 424 . 1 1 41 41 ILE HB H 1 1.839 0.006 . . . . . A 41 ILE HB . 25442 1 425 . 1 1 41 41 ILE HG12 H 1 1.111 0.009 . . . . . A 41 ILE HG12 . 25442 1 426 . 1 1 41 41 ILE HG13 H 1 1.436 0.007 . . . . . A 41 ILE HG13 . 25442 1 427 . 1 1 41 41 ILE HG21 H 1 0.876 0.005 . . . . . A 41 ILE HG21 . 25442 1 428 . 1 1 41 41 ILE HG22 H 1 0.876 0.005 . . . . . A 41 ILE HG22 . 25442 1 429 . 1 1 41 41 ILE HG23 H 1 0.876 0.005 . . . . . A 41 ILE HG23 . 25442 1 430 . 1 1 41 41 ILE HD11 H 1 0.795 0.006 . . . . . A 41 ILE HD11 . 25442 1 431 . 1 1 41 41 ILE HD12 H 1 0.795 0.006 . . . . . A 41 ILE HD12 . 25442 1 432 . 1 1 41 41 ILE HD13 H 1 0.795 0.006 . . . . . A 41 ILE HD13 . 25442 1 433 . 1 1 41 41 ILE CA C 13 60.204 0.030 . . . . . A 41 ILE CA . 25442 1 434 . 1 1 41 41 ILE CB C 13 41.220 0.014 . . . . . A 41 ILE CB . 25442 1 435 . 1 1 41 41 ILE CG1 C 13 27.714 0.030 . . . . . A 41 ILE CG1 . 25442 1 436 . 1 1 41 41 ILE CG2 C 13 17.958 0.015 . . . . . A 41 ILE CG2 . 25442 1 437 . 1 1 41 41 ILE CD1 C 13 14.964 0.036 . . . . . A 41 ILE CD1 . 25442 1 438 . 1 1 41 41 ILE N N 15 127.951 0.031 . . . . . A 41 ILE N . 25442 1 439 . 1 1 42 42 LEU H H 1 8.935 0.006 . . . . . A 42 LEU H . 25442 1 440 . 1 1 42 42 LEU HA H 1 4.415 0.010 . . . . . A 42 LEU HA . 25442 1 441 . 1 1 42 42 LEU HB2 H 1 0.879 0.003 . . . . . A 42 LEU HB2 . 25442 1 442 . 1 1 42 42 LEU HB3 H 1 1.897 0.002 . . . . . A 42 LEU HB3 . 25442 1 443 . 1 1 42 42 LEU HG H 1 1.307 0.005 . . . . . A 42 LEU HG . 25442 1 444 . 1 1 42 42 LEU HD11 H 1 0.734 0.004 . . . . . A 42 LEU HD11 . 25442 1 445 . 1 1 42 42 LEU HD12 H 1 0.734 0.004 . . . . . A 42 LEU HD12 . 25442 1 446 . 1 1 42 42 LEU HD13 H 1 0.734 0.004 . . . . . A 42 LEU HD13 . 25442 1 447 . 1 1 42 42 LEU HD21 H 1 0.659 0.005 . . . . . A 42 LEU HD21 . 25442 1 448 . 1 1 42 42 LEU HD22 H 1 0.659 0.005 . . . . . A 42 LEU HD22 . 25442 1 449 . 1 1 42 42 LEU HD23 H 1 0.659 0.005 . . . . . A 42 LEU HD23 . 25442 1 450 . 1 1 42 42 LEU CA C 13 53.832 0.041 . . . . . A 42 LEU CA . 25442 1 451 . 1 1 42 42 LEU CB C 13 44.353 0.001 . . . . . A 42 LEU CB . 25442 1 452 . 1 1 42 42 LEU CG C 13 27.318 0.000 . . . . . A 42 LEU CG . 25442 1 453 . 1 1 42 42 LEU CD1 C 13 25.880 0.021 . . . . . A 42 LEU CD1 . 25442 1 454 . 1 1 42 42 LEU CD2 C 13 23.623 0.033 . . . . . A 42 LEU CD2 . 25442 1 455 . 1 1 42 42 LEU N N 15 130.034 0.008 . . . . . A 42 LEU N . 25442 1 456 . 1 1 43 43 SER H H 1 8.088 0.004 . . . . . A 43 SER H . 25442 1 457 . 1 1 43 43 SER HA H 1 4.092 0.003 . . . . . A 43 SER HA . 25442 1 458 . 1 1 43 43 SER HB2 H 1 2.838 0.006 . . . . . A 43 SER HB2 . 25442 1 459 . 1 1 43 43 SER HB3 H 1 2.727 0.008 . . . . . A 43 SER HB3 . 25442 1 460 . 1 1 43 43 SER CA C 13 59.298 0.048 . . . . . A 43 SER CA . 25442 1 461 . 1 1 43 43 SER CB C 13 62.879 0.021 . . . . . A 43 SER CB . 25442 1 462 . 1 1 43 43 SER N N 15 121.977 0.020 . . . . . A 43 SER N . 25442 1 463 . 1 1 44 44 ARG H H 1 8.081 0.005 . . . . . A 44 ARG H . 25442 1 464 . 1 1 44 44 ARG HA H 1 4.906 0.003 . . . . . A 44 ARG HA . 25442 1 465 . 1 1 44 44 ARG HB2 H 1 1.233 0.003 . . . . . A 44 ARG HB2 . 25442 1 466 . 1 1 44 44 ARG HB3 H 1 1.416 0.003 . . . . . A 44 ARG HB3 . 25442 1 467 . 1 1 44 44 ARG HG2 H 1 1.526 0.015 . . . . . A 44 ARG HG2 . 25442 1 468 . 1 1 44 44 ARG HG3 H 1 1.215 0.014 . . . . . A 44 ARG HG3 . 25442 1 469 . 1 1 44 44 ARG HD2 H 1 3.151 0.000 . . . . . A 44 ARG HD2 . 25442 1 470 . 1 1 44 44 ARG HD3 H 1 3.076 0.000 . . . . . A 44 ARG HD3 . 25442 1 471 . 1 1 44 44 ARG CA C 13 54.363 0.012 . . . . . A 44 ARG CA . 25442 1 472 . 1 1 44 44 ARG CB C 13 34.095 0.010 . . . . . A 44 ARG CB . 25442 1 473 . 1 1 44 44 ARG CG C 13 28.285 0.000 . . . . . A 44 ARG CG . 25442 1 474 . 1 1 44 44 ARG CD C 13 43.251 0.007 . . . . . A 44 ARG CD . 25442 1 475 . 1 1 44 44 ARG N N 15 125.852 0.034 . . . . . A 44 ARG N . 25442 1 476 . 1 1 45 45 ASP H H 1 8.594 0.009 . . . . . A 45 ASP H . 25442 1 477 . 1 1 45 45 ASP HA H 1 4.425 0.005 . . . . . A 45 ASP HA . 25442 1 478 . 1 1 45 45 ASP HB2 H 1 2.585 0.013 . . . . . A 45 ASP HB2 . 25442 1 479 . 1 1 45 45 ASP HB3 H 1 3.007 0.004 . . . . . A 45 ASP HB3 . 25442 1 480 . 1 1 45 45 ASP CA C 13 54.728 0.041 . . . . . A 45 ASP CA . 25442 1 481 . 1 1 45 45 ASP CB C 13 43.318 0.009 . . . . . A 45 ASP CB . 25442 1 482 . 1 1 45 45 ASP N N 15 123.150 0.045 . . . . . A 45 ASP N . 25442 1 483 . 1 1 46 46 GLU H H 1 9.250 0.008 . . . . . A 46 GLU H . 25442 1 484 . 1 1 46 46 GLU HA H 1 4.048 0.009 . . . . . A 46 GLU HA . 25442 1 485 . 1 1 46 46 GLU HB2 H 1 2.075 0.006 . . . . . A 46 GLU HB2 . 25442 1 486 . 1 1 46 46 GLU HB3 H 1 2.075 0.006 . . . . . A 46 GLU HB3 . 25442 1 487 . 1 1 46 46 GLU HG2 H 1 2.334 0.006 . . . . . A 46 GLU HG2 . 25442 1 488 . 1 1 46 46 GLU HG3 H 1 2.334 0.006 . . . . . A 46 GLU HG3 . 25442 1 489 . 1 1 46 46 GLU CA C 13 59.018 0.058 . . . . . A 46 GLU CA . 25442 1 490 . 1 1 46 46 GLU CB C 13 29.870 0.001 . . . . . A 46 GLU CB . 25442 1 491 . 1 1 46 46 GLU CG C 13 36.215 0.056 . . . . . A 46 GLU CG . 25442 1 492 . 1 1 46 46 GLU N N 15 127.786 0.043 . . . . . A 46 GLU N . 25442 1 493 . 1 1 47 47 ASN H H 1 8.857 0.006 . . . . . A 47 ASN H . 25442 1 494 . 1 1 47 47 ASN HA H 1 4.825 0.005 . . . . . A 47 ASN HA . 25442 1 495 . 1 1 47 47 ASN HB2 H 1 3.010 0.005 . . . . . A 47 ASN HB2 . 25442 1 496 . 1 1 47 47 ASN HB3 H 1 2.836 0.004 . . . . . A 47 ASN HB3 . 25442 1 497 . 1 1 47 47 ASN HD21 H 1 7.034 0.003 . . . . . A 47 ASN HD21 . 25442 1 498 . 1 1 47 47 ASN HD22 H 1 7.911 0.001 . . . . . A 47 ASN HD22 . 25442 1 499 . 1 1 47 47 ASN CA C 13 55.321 0.029 . . . . . A 47 ASN CA . 25442 1 500 . 1 1 47 47 ASN CB C 13 39.927 0.028 . . . . . A 47 ASN CB . 25442 1 501 . 1 1 47 47 ASN N N 15 116.105 0.024 . . . . . A 47 ASN N . 25442 1 502 . 1 1 47 47 ASN ND2 N 15 114.886 0.040 . . . . . A 47 ASN ND2 . 25442 1 503 . 1 1 48 48 THR H H 1 8.539 0.004 . . . . . A 48 THR H . 25442 1 504 . 1 1 48 48 THR HA H 1 4.461 0.005 . . . . . A 48 THR HA . 25442 1 505 . 1 1 48 48 THR HB H 1 4.427 0.006 . . . . . A 48 THR HB . 25442 1 506 . 1 1 48 48 THR HG21 H 1 1.216 0.004 . . . . . A 48 THR HG21 . 25442 1 507 . 1 1 48 48 THR HG22 H 1 1.216 0.004 . . . . . A 48 THR HG22 . 25442 1 508 . 1 1 48 48 THR HG23 H 1 1.216 0.004 . . . . . A 48 THR HG23 . 25442 1 509 . 1 1 48 48 THR CA C 13 61.883 0.056 . . . . . A 48 THR CA . 25442 1 510 . 1 1 48 48 THR CB C 13 71.194 0.049 . . . . . A 48 THR CB . 25442 1 511 . 1 1 48 48 THR CG2 C 13 21.193 0.023 . . . . . A 48 THR CG2 . 25442 1 512 . 1 1 48 48 THR N N 15 108.395 0.042 . . . . . A 48 THR N . 25442 1 513 . 1 1 49 49 GLY H H 1 8.293 0.004 . . . . . A 49 GLY H . 25442 1 514 . 1 1 49 49 GLY HA2 H 1 3.766 0.008 . . . . . A 49 GLY HA2 . 25442 1 515 . 1 1 49 49 GLY HA3 H 1 4.198 0.009 . . . . . A 49 GLY HA3 . 25442 1 516 . 1 1 49 49 GLY CA C 13 45.706 0.037 . . . . . A 49 GLY CA . 25442 1 517 . 1 1 49 49 GLY N N 15 110.910 0.031 . . . . . A 49 GLY N . 25442 1 518 . 1 1 50 50 GLU H H 1 7.854 0.004 . . . . . A 50 GLU H . 25442 1 519 . 1 1 50 50 GLU HA H 1 4.162 0.006 . . . . . A 50 GLU HA . 25442 1 520 . 1 1 50 50 GLU HB2 H 1 1.874 0.001 . . . . . A 50 GLU HB2 . 25442 1 521 . 1 1 50 50 GLU HB3 H 1 2.023 0.003 . . . . . A 50 GLU HB3 . 25442 1 522 . 1 1 50 50 GLU HG2 H 1 2.301 0.010 . . . . . A 50 GLU HG2 . 25442 1 523 . 1 1 50 50 GLU HG3 H 1 2.301 0.010 . . . . . A 50 GLU HG3 . 25442 1 524 . 1 1 50 50 GLU CA C 13 56.540 0.070 . . . . . A 50 GLU CA . 25442 1 525 . 1 1 50 50 GLU CB C 13 30.948 0.047 . . . . . A 50 GLU CB . 25442 1 526 . 1 1 50 50 GLU CG C 13 36.362 0.001 . . . . . A 50 GLU CG . 25442 1 527 . 1 1 50 50 GLU N N 15 120.328 0.033 . . . . . A 50 GLU N . 25442 1 528 . 1 1 51 51 SER H H 1 8.950 0.009 . . . . . A 51 SER H . 25442 1 529 . 1 1 51 51 SER HA H 1 4.391 0.000 . . . . . A 51 SER HA . 25442 1 530 . 1 1 51 51 SER HB2 H 1 4.011 0.000 . . . . . A 51 SER HB2 . 25442 1 531 . 1 1 51 51 SER HB3 H 1 4.051 0.000 . . . . . A 51 SER HB3 . 25442 1 532 . 1 1 51 51 SER CA C 13 58.361 0.028 . . . . . A 51 SER CA . 25442 1 533 . 1 1 51 51 SER CB C 13 64.438 0.038 . . . . . A 51 SER CB . 25442 1 534 . 1 1 51 51 SER N N 15 117.235 0.028 . . . . . A 51 SER N . 25442 1 535 . 1 1 52 52 GLN H H 1 8.929 0.007 . . . . . A 52 GLN H . 25442 1 536 . 1 1 52 52 GLN HA H 1 4.516 0.005 . . . . . A 52 GLN HA . 25442 1 537 . 1 1 52 52 GLN HB2 H 1 2.426 0.003 . . . . . A 52 GLN HB2 . 25442 1 538 . 1 1 52 52 GLN HB3 H 1 1.502 0.007 . . . . . A 52 GLN HB3 . 25442 1 539 . 1 1 52 52 GLN HG2 H 1 2.280 0.005 . . . . . A 52 GLN HG2 . 25442 1 540 . 1 1 52 52 GLN HG3 H 1 2.231 0.007 . . . . . A 52 GLN HG3 . 25442 1 541 . 1 1 52 52 GLN HE21 H 1 6.967 0.000 . . . . . A 52 GLN HE21 . 25442 1 542 . 1 1 52 52 GLN HE22 H 1 7.434 0.000 . . . . . A 52 GLN HE22 . 25442 1 543 . 1 1 52 52 GLN CA C 13 55.406 0.018 . . . . . A 52 GLN CA . 25442 1 544 . 1 1 52 52 GLN CB C 13 29.624 0.036 . . . . . A 52 GLN CB . 25442 1 545 . 1 1 52 52 GLN CG C 13 34.837 0.038 . . . . . A 52 GLN CG . 25442 1 546 . 1 1 52 52 GLN N N 15 122.996 0.041 . . . . . A 52 GLN N . 25442 1 547 . 1 1 52 52 GLN NE2 N 15 112.255 0.004 . . . . . A 52 GLN NE2 . 25442 1 548 . 1 1 53 53 GLY H H 1 8.876 0.007 . . . . . A 53 GLY H . 25442 1 549 . 1 1 53 53 GLY HA2 H 1 4.189 0.008 . . . . . A 53 GLY HA2 . 25442 1 550 . 1 1 53 53 GLY HA3 H 1 3.549 0.007 . . . . . A 53 GLY HA3 . 25442 1 551 . 1 1 53 53 GLY CA C 13 46.434 0.035 . . . . . A 53 GLY CA . 25442 1 552 . 1 1 53 53 GLY N N 15 106.139 0.047 . . . . . A 53 GLY N . 25442 1 553 . 1 1 54 54 PHE H H 1 6.938 0.005 . . . . . A 54 PHE H . 25442 1 554 . 1 1 54 54 PHE HA H 1 5.436 0.004 . . . . . A 54 PHE HA . 25442 1 555 . 1 1 54 54 PHE HB2 H 1 2.666 0.008 . . . . . A 54 PHE HB2 . 25442 1 556 . 1 1 54 54 PHE HB3 H 1 3.119 0.014 . . . . . A 54 PHE HB3 . 25442 1 557 . 1 1 54 54 PHE HD1 H 1 6.795 0.003 . . . . . A 54 PHE HD1 . 25442 1 558 . 1 1 54 54 PHE HD2 H 1 6.795 0.003 . . . . . A 54 PHE HD2 . 25442 1 559 . 1 1 54 54 PHE HE1 H 1 7.366 0.008 . . . . . A 54 PHE HE1 . 25442 1 560 . 1 1 54 54 PHE HE2 H 1 7.366 0.008 . . . . . A 54 PHE HE2 . 25442 1 561 . 1 1 54 54 PHE CA C 13 55.464 0.033 . . . . . A 54 PHE CA . 25442 1 562 . 1 1 54 54 PHE CB C 13 41.207 0.031 . . . . . A 54 PHE CB . 25442 1 563 . 1 1 54 54 PHE CD1 C 13 132.676 0.032 . . . . . A 54 PHE CD1 . 25442 1 564 . 1 1 54 54 PHE CD2 C 13 132.676 0.032 . . . . . A 54 PHE CD2 . 25442 1 565 . 1 1 54 54 PHE N N 15 112.294 0.035 . . . . . A 54 PHE N . 25442 1 566 . 1 1 55 55 ALA H H 1 9.098 0.007 . . . . . A 55 ALA H . 25442 1 567 . 1 1 55 55 ALA HA H 1 5.051 0.003 . . . . . A 55 ALA HA . 25442 1 568 . 1 1 55 55 ALA HB1 H 1 0.940 0.005 . . . . . A 55 ALA HB1 . 25442 1 569 . 1 1 55 55 ALA HB2 H 1 0.940 0.005 . . . . . A 55 ALA HB2 . 25442 1 570 . 1 1 55 55 ALA HB3 H 1 0.940 0.005 . . . . . A 55 ALA HB3 . 25442 1 571 . 1 1 55 55 ALA CA C 13 49.517 0.039 . . . . . A 55 ALA CA . 25442 1 572 . 1 1 55 55 ALA CB C 13 24.966 0.012 . . . . . A 55 ALA CB . 25442 1 573 . 1 1 55 55 ALA N N 15 121.935 0.047 . . . . . A 55 ALA N . 25442 1 574 . 1 1 56 56 TYR H H 1 8.572 0.006 . . . . . A 56 TYR H . 25442 1 575 . 1 1 56 56 TYR HA H 1 5.652 0.006 . . . . . A 56 TYR HA . 25442 1 576 . 1 1 56 56 TYR HB2 H 1 2.353 0.007 . . . . . A 56 TYR HB2 . 25442 1 577 . 1 1 56 56 TYR HB3 H 1 2.771 0.005 . . . . . A 56 TYR HB3 . 25442 1 578 . 1 1 56 56 TYR HD1 H 1 6.800 0.003 . . . . . A 56 TYR HD1 . 25442 1 579 . 1 1 56 56 TYR HD2 H 1 6.800 0.003 . . . . . A 56 TYR HD2 . 25442 1 580 . 1 1 56 56 TYR CA C 13 56.128 0.023 . . . . . A 56 TYR CA . 25442 1 581 . 1 1 56 56 TYR CB C 13 42.405 0.019 . . . . . A 56 TYR CB . 25442 1 582 . 1 1 56 56 TYR CD1 C 13 132.897 0.028 . . . . . A 56 TYR CD1 . 25442 1 583 . 1 1 56 56 TYR CD2 C 13 132.897 0.028 . . . . . A 56 TYR CD2 . 25442 1 584 . 1 1 56 56 TYR N N 15 114.799 0.026 . . . . . A 56 TYR N . 25442 1 585 . 1 1 57 57 LEU H H 1 8.600 0.007 . . . . . A 57 LEU H . 25442 1 586 . 1 1 57 57 LEU HA H 1 5.100 0.005 . . . . . A 57 LEU HA . 25442 1 587 . 1 1 57 57 LEU HG H 1 1.347 0.007 . . . . . A 57 LEU HG . 25442 1 588 . 1 1 57 57 LEU HD11 H 1 0.209 0.005 . . . . . A 57 LEU HD11 . 25442 1 589 . 1 1 57 57 LEU HD12 H 1 0.209 0.005 . . . . . A 57 LEU HD12 . 25442 1 590 . 1 1 57 57 LEU HD13 H 1 0.209 0.005 . . . . . A 57 LEU HD13 . 25442 1 591 . 1 1 57 57 LEU HD21 H 1 -0.334 0.004 . . . . . A 57 LEU HD21 . 25442 1 592 . 1 1 57 57 LEU HD22 H 1 -0.334 0.004 . . . . . A 57 LEU HD22 . 25442 1 593 . 1 1 57 57 LEU HD23 H 1 -0.334 0.004 . . . . . A 57 LEU HD23 . 25442 1 594 . 1 1 57 57 LEU CA C 13 54.552 0.032 . . . . . A 57 LEU CA . 25442 1 595 . 1 1 57 57 LEU CG C 13 26.433 0.000 . . . . . A 57 LEU CG . 25442 1 596 . 1 1 57 57 LEU CD1 C 13 27.295 0.015 . . . . . A 57 LEU CD1 . 25442 1 597 . 1 1 57 57 LEU CD2 C 13 24.513 0.025 . . . . . A 57 LEU CD2 . 25442 1 598 . 1 1 57 57 LEU N N 15 123.129 0.029 . . . . . A 57 LEU N . 25442 1 599 . 1 1 58 58 LYS H H 1 8.389 0.006 . . . . . A 58 LYS H . 25442 1 600 . 1 1 58 58 LYS HA H 1 4.553 0.000 . . . . . A 58 LYS HA . 25442 1 601 . 1 1 58 58 LYS HB2 H 1 0.223 0.004 . . . . . A 58 LYS HB2 . 25442 1 602 . 1 1 58 58 LYS HB3 H 1 0.935 0.005 . . . . . A 58 LYS HB3 . 25442 1 603 . 1 1 58 58 LYS HG2 H 1 0.925 0.000 . . . . . A 58 LYS HG2 . 25442 1 604 . 1 1 58 58 LYS HG3 H 1 0.925 0.000 . . . . . A 58 LYS HG3 . 25442 1 605 . 1 1 58 58 LYS HD2 H 1 1.140 0.004 . . . . . A 58 LYS HD2 . 25442 1 606 . 1 1 58 58 LYS HD3 H 1 1.373 0.003 . . . . . A 58 LYS HD3 . 25442 1 607 . 1 1 58 58 LYS HE2 H 1 2.741 0.004 . . . . . A 58 LYS HE2 . 25442 1 608 . 1 1 58 58 LYS HE3 H 1 2.741 0.004 . . . . . A 58 LYS HE3 . 25442 1 609 . 1 1 58 58 LYS CA C 13 54.518 0.018 . . . . . A 58 LYS CA . 25442 1 610 . 1 1 58 58 LYS CB C 13 36.254 0.006 . . . . . A 58 LYS CB . 25442 1 611 . 1 1 58 58 LYS CG C 13 25.126 0.000 . . . . . A 58 LYS CG . 25442 1 612 . 1 1 58 58 LYS CD C 13 29.673 0.037 . . . . . A 58 LYS CD . 25442 1 613 . 1 1 58 58 LYS CE C 13 42.255 0.067 . . . . . A 58 LYS CE . 25442 1 614 . 1 1 58 58 LYS N N 15 126.556 0.059 . . . . . A 58 LYS N . 25442 1 615 . 1 1 59 59 TYR H H 1 9.035 0.006 . . . . . A 59 TYR H . 25442 1 616 . 1 1 59 59 TYR HA H 1 5.061 0.005 . . . . . A 59 TYR HA . 25442 1 617 . 1 1 59 59 TYR HB2 H 1 3.159 0.000 . . . . . A 59 TYR HB2 . 25442 1 618 . 1 1 59 59 TYR CA C 13 58.271 0.043 . . . . . A 59 TYR CA . 25442 1 619 . 1 1 59 59 TYR N N 15 126.761 0.045 . . . . . A 59 TYR N . 25442 1 620 . 1 1 60 60 GLU H H 1 8.796 0.004 . . . . . A 60 GLU H . 25442 1 621 . 1 1 60 60 GLU HA H 1 3.890 0.004 . . . . . A 60 GLU HA . 25442 1 622 . 1 1 60 60 GLU HB2 H 1 2.122 0.012 . . . . . A 60 GLU HB2 . 25442 1 623 . 1 1 60 60 GLU HB3 H 1 2.038 0.003 . . . . . A 60 GLU HB3 . 25442 1 624 . 1 1 60 60 GLU HG2 H 1 2.228 0.009 . . . . . A 60 GLU HG2 . 25442 1 625 . 1 1 60 60 GLU HG3 H 1 2.228 0.009 . . . . . A 60 GLU HG3 . 25442 1 626 . 1 1 60 60 GLU CA C 13 59.244 0.053 . . . . . A 60 GLU CA . 25442 1 627 . 1 1 60 60 GLU CB C 13 31.145 0.013 . . . . . A 60 GLU CB . 25442 1 628 . 1 1 60 60 GLU CG C 13 36.608 0.060 . . . . . A 60 GLU CG . 25442 1 629 . 1 1 60 60 GLU N N 15 120.097 0.030 . . . . . A 60 GLU N . 25442 1 630 . 1 1 61 61 ASP H H 1 8.006 0.008 . . . . . A 61 ASP H . 25442 1 631 . 1 1 61 61 ASP HA H 1 4.842 0.000 . . . . . A 61 ASP HA . 25442 1 632 . 1 1 61 61 ASP HB2 H 1 2.420 0.005 . . . . . A 61 ASP HB2 . 25442 1 633 . 1 1 61 61 ASP HB3 H 1 2.995 0.003 . . . . . A 61 ASP HB3 . 25442 1 634 . 1 1 61 61 ASP CA C 13 51.550 0.014 . . . . . A 61 ASP CA . 25442 1 635 . 1 1 61 61 ASP CB C 13 43.258 0.047 . . . . . A 61 ASP CB . 25442 1 636 . 1 1 61 61 ASP N N 15 117.697 0.048 . . . . . A 61 ASP N . 25442 1 637 . 1 1 62 62 GLN H H 1 9.053 0.003 . . . . . A 62 GLN H . 25442 1 638 . 1 1 62 62 GLN HA H 1 4.223 0.006 . . . . . A 62 GLN HA . 25442 1 639 . 1 1 62 62 GLN HB2 H 1 2.105 0.006 . . . . . A 62 GLN HB2 . 25442 1 640 . 1 1 62 62 GLN HB3 H 1 2.195 0.005 . . . . . A 62 GLN HB3 . 25442 1 641 . 1 1 62 62 GLN HG2 H 1 2.495 0.003 . . . . . A 62 GLN HG2 . 25442 1 642 . 1 1 62 62 GLN HG3 H 1 2.430 0.006 . . . . . A 62 GLN HG3 . 25442 1 643 . 1 1 62 62 GLN HE21 H 1 6.648 0.017 . . . . . A 62 GLN HE21 . 25442 1 644 . 1 1 62 62 GLN HE22 H 1 7.410 0.013 . . . . . A 62 GLN HE22 . 25442 1 645 . 1 1 62 62 GLN CA C 13 58.637 0.034 . . . . . A 62 GLN CA . 25442 1 646 . 1 1 62 62 GLN CB C 13 27.994 0.027 . . . . . A 62 GLN CB . 25442 1 647 . 1 1 62 62 GLN CG C 13 33.454 0.033 . . . . . A 62 GLN CG . 25442 1 648 . 1 1 62 62 GLN N N 15 126.321 0.032 . . . . . A 62 GLN N . 25442 1 649 . 1 1 62 62 GLN NE2 N 15 110.754 0.002 . . . . . A 62 GLN NE2 . 25442 1 650 . 1 1 63 63 ARG H H 1 8.960 0.009 . . . . . A 63 ARG H . 25442 1 651 . 1 1 63 63 ARG HA H 1 3.654 0.013 . . . . . A 63 ARG HA . 25442 1 652 . 1 1 63 63 ARG HB2 H 1 0.576 0.000 . . . . . A 63 ARG HB2 . 25442 1 653 . 1 1 63 63 ARG CA C 13 58.971 0.038 . . . . . A 63 ARG CA . 25442 1 654 . 1 1 63 63 ARG N N 15 121.086 0.038 . . . . . A 63 ARG N . 25442 1 655 . 1 1 64 64 SER H H 1 8.143 0.004 . . . . . A 64 SER H . 25442 1 656 . 1 1 64 64 SER HA H 1 3.704 0.012 . . . . . A 64 SER HA . 25442 1 657 . 1 1 64 64 SER HB2 H 1 3.160 0.000 . . . . . A 64 SER HB2 . 25442 1 658 . 1 1 64 64 SER HB3 H 1 3.160 0.000 . . . . . A 64 SER HB3 . 25442 1 659 . 1 1 64 64 SER CA C 13 63.589 0.044 . . . . . A 64 SER CA . 25442 1 660 . 1 1 64 64 SER N N 15 114.891 0.022 . . . . . A 64 SER N . 25442 1 661 . 1 1 65 65 THR H H 1 7.633 0.006 . . . . . A 65 THR H . 25442 1 662 . 1 1 65 65 THR HA H 1 3.765 0.009 . . . . . A 65 THR HA . 25442 1 663 . 1 1 65 65 THR HB H 1 4.185 0.006 . . . . . A 65 THR HB . 25442 1 664 . 1 1 65 65 THR HG21 H 1 1.574 0.004 . . . . . A 65 THR HG21 . 25442 1 665 . 1 1 65 65 THR HG22 H 1 1.574 0.004 . . . . . A 65 THR HG22 . 25442 1 666 . 1 1 65 65 THR HG23 H 1 1.574 0.004 . . . . . A 65 THR HG23 . 25442 1 667 . 1 1 65 65 THR CA C 13 66.198 0.051 . . . . . A 65 THR CA . 25442 1 668 . 1 1 65 65 THR CB C 13 68.461 0.019 . . . . . A 65 THR CB . 25442 1 669 . 1 1 65 65 THR CG2 C 13 23.587 0.039 . . . . . A 65 THR CG2 . 25442 1 670 . 1 1 65 65 THR N N 15 111.019 0.035 . . . . . A 65 THR N . 25442 1 671 . 1 1 66 66 ILE H H 1 6.648 0.005 . . . . . A 66 ILE H . 25442 1 672 . 1 1 66 66 ILE HA H 1 3.673 0.006 . . . . . A 66 ILE HA . 25442 1 673 . 1 1 66 66 ILE HB H 1 2.197 0.007 . . . . . A 66 ILE HB . 25442 1 674 . 1 1 66 66 ILE HG12 H 1 1.655 0.005 . . . . . A 66 ILE HG12 . 25442 1 675 . 1 1 66 66 ILE HG13 H 1 1.158 0.000 . . . . . A 66 ILE HG13 . 25442 1 676 . 1 1 66 66 ILE HG21 H 1 0.976 0.005 . . . . . A 66 ILE HG21 . 25442 1 677 . 1 1 66 66 ILE HG22 H 1 0.976 0.005 . . . . . A 66 ILE HG22 . 25442 1 678 . 1 1 66 66 ILE HG23 H 1 0.976 0.005 . . . . . A 66 ILE HG23 . 25442 1 679 . 1 1 66 66 ILE HD11 H 1 0.928 0.004 . . . . . A 66 ILE HD11 . 25442 1 680 . 1 1 66 66 ILE HD12 H 1 0.928 0.004 . . . . . A 66 ILE HD12 . 25442 1 681 . 1 1 66 66 ILE HD13 H 1 0.928 0.004 . . . . . A 66 ILE HD13 . 25442 1 682 . 1 1 66 66 ILE CA C 13 64.506 0.027 . . . . . A 66 ILE CA . 25442 1 683 . 1 1 66 66 ILE CB C 13 38.668 0.051 . . . . . A 66 ILE CB . 25442 1 684 . 1 1 66 66 ILE CG1 C 13 28.712 0.012 . . . . . A 66 ILE CG1 . 25442 1 685 . 1 1 66 66 ILE CG2 C 13 17.026 0.072 . . . . . A 66 ILE CG2 . 25442 1 686 . 1 1 66 66 ILE CD1 C 13 13.712 0.066 . . . . . A 66 ILE CD1 . 25442 1 687 . 1 1 66 66 ILE N N 15 123.242 0.035 . . . . . A 66 ILE N . 25442 1 688 . 1 1 67 67 LEU H H 1 6.899 0.003 . . . . . A 67 LEU H . 25442 1 689 . 1 1 67 67 LEU HA H 1 3.627 0.006 . . . . . A 67 LEU HA . 25442 1 690 . 1 1 67 67 LEU HB2 H 1 1.135 0.005 . . . . . A 67 LEU HB2 . 25442 1 691 . 1 1 67 67 LEU HB3 H 1 2.200 0.012 . . . . . A 67 LEU HB3 . 25442 1 692 . 1 1 67 67 LEU HG H 1 1.967 0.000 . . . . . A 67 LEU HG . 25442 1 693 . 1 1 67 67 LEU HD11 H 1 1.142 0.006 . . . . . A 67 LEU HD11 . 25442 1 694 . 1 1 67 67 LEU HD12 H 1 1.142 0.006 . . . . . A 67 LEU HD12 . 25442 1 695 . 1 1 67 67 LEU HD13 H 1 1.142 0.006 . . . . . A 67 LEU HD13 . 25442 1 696 . 1 1 67 67 LEU HD21 H 1 0.898 0.005 . . . . . A 67 LEU HD21 . 25442 1 697 . 1 1 67 67 LEU HD22 H 1 0.898 0.005 . . . . . A 67 LEU HD22 . 25442 1 698 . 1 1 67 67 LEU HD23 H 1 0.898 0.005 . . . . . A 67 LEU HD23 . 25442 1 699 . 1 1 67 67 LEU CA C 13 57.678 0.049 . . . . . A 67 LEU CA . 25442 1 700 . 1 1 67 67 LEU CB C 13 41.866 0.000 . . . . . A 67 LEU CB . 25442 1 701 . 1 1 67 67 LEU CD1 C 13 26.425 0.066 . . . . . A 67 LEU CD1 . 25442 1 702 . 1 1 67 67 LEU CD2 C 13 24.694 0.075 . . . . . A 67 LEU CD2 . 25442 1 703 . 1 1 67 67 LEU N N 15 113.375 0.035 . . . . . A 67 LEU N . 25442 1 704 . 1 1 68 68 ALA H H 1 8.201 0.003 . . . . . A 68 ALA H . 25442 1 705 . 1 1 68 68 ALA HA H 1 3.406 0.005 . . . . . A 68 ALA HA . 25442 1 706 . 1 1 68 68 ALA HB1 H 1 1.744 0.004 . . . . . A 68 ALA HB1 . 25442 1 707 . 1 1 68 68 ALA HB2 H 1 1.744 0.004 . . . . . A 68 ALA HB2 . 25442 1 708 . 1 1 68 68 ALA HB3 H 1 1.744 0.004 . . . . . A 68 ALA HB3 . 25442 1 709 . 1 1 68 68 ALA CA C 13 55.643 0.040 . . . . . A 68 ALA CA . 25442 1 710 . 1 1 68 68 ALA CB C 13 19.395 0.048 . . . . . A 68 ALA CB . 25442 1 711 . 1 1 68 68 ALA N N 15 120.327 0.046 . . . . . A 68 ALA N . 25442 1 712 . 1 1 69 69 VAL H H 1 8.235 0.003 . . . . . A 69 VAL H . 25442 1 713 . 1 1 69 69 VAL HA H 1 3.221 0.006 . . . . . A 69 VAL HA . 25442 1 714 . 1 1 69 69 VAL HB H 1 1.901 0.006 . . . . . A 69 VAL HB . 25442 1 715 . 1 1 69 69 VAL HG11 H 1 0.842 0.005 . . . . . A 69 VAL HG11 . 25442 1 716 . 1 1 69 69 VAL HG12 H 1 0.842 0.005 . . . . . A 69 VAL HG12 . 25442 1 717 . 1 1 69 69 VAL HG13 H 1 0.842 0.005 . . . . . A 69 VAL HG13 . 25442 1 718 . 1 1 69 69 VAL HG21 H 1 0.396 0.004 . . . . . A 69 VAL HG21 . 25442 1 719 . 1 1 69 69 VAL HG22 H 1 0.396 0.004 . . . . . A 69 VAL HG22 . 25442 1 720 . 1 1 69 69 VAL HG23 H 1 0.396 0.004 . . . . . A 69 VAL HG23 . 25442 1 721 . 1 1 69 69 VAL CA C 13 67.039 0.057 . . . . . A 69 VAL CA . 25442 1 722 . 1 1 69 69 VAL CB C 13 31.896 0.019 . . . . . A 69 VAL CB . 25442 1 723 . 1 1 69 69 VAL CG1 C 13 21.191 0.022 . . . . . A 69 VAL CG1 . 25442 1 724 . 1 1 69 69 VAL CG2 C 13 23.006 0.026 . . . . . A 69 VAL CG2 . 25442 1 725 . 1 1 69 69 VAL N N 15 118.977 0.029 . . . . . A 69 VAL N . 25442 1 726 . 1 1 70 70 ASP H H 1 8.152 0.003 . . . . . A 70 ASP H . 25442 1 727 . 1 1 70 70 ASP HA H 1 3.941 0.007 . . . . . A 70 ASP HA . 25442 1 728 . 1 1 70 70 ASP HB2 H 1 0.987 0.013 . . . . . A 70 ASP HB2 . 25442 1 729 . 1 1 70 70 ASP HB3 H 1 1.925 0.010 . . . . . A 70 ASP HB3 . 25442 1 730 . 1 1 70 70 ASP CA C 13 57.576 0.049 . . . . . A 70 ASP CA . 25442 1 731 . 1 1 70 70 ASP CB C 13 39.037 0.031 . . . . . A 70 ASP CB . 25442 1 732 . 1 1 70 70 ASP N N 15 116.894 0.031 . . . . . A 70 ASP N . 25442 1 733 . 1 1 71 71 ASN H H 1 7.562 0.006 . . . . . A 71 ASN H . 25442 1 734 . 1 1 71 71 ASN HA H 1 5.009 0.010 . . . . . A 71 ASN HA . 25442 1 735 . 1 1 71 71 ASN HB2 H 1 2.465 0.007 . . . . . A 71 ASN HB2 . 25442 1 736 . 1 1 71 71 ASN HB3 H 1 2.267 0.000 . . . . . A 71 ASN HB3 . 25442 1 737 . 1 1 71 71 ASN CA C 13 55.710 0.032 . . . . . A 71 ASN CA . 25442 1 738 . 1 1 71 71 ASN CB C 13 42.091 0.124 . . . . . A 71 ASN CB . 25442 1 739 . 1 1 71 71 ASN N N 15 110.936 0.038 . . . . . A 71 ASN N . 25442 1 740 . 1 1 72 72 LEU H H 1 8.406 0.005 . . . . . A 72 LEU H . 25442 1 741 . 1 1 72 72 LEU HA H 1 4.686 0.002 . . . . . A 72 LEU HA . 25442 1 742 . 1 1 72 72 LEU HB2 H 1 1.884 0.011 . . . . . A 72 LEU HB2 . 25442 1 743 . 1 1 72 72 LEU HB3 H 1 1.224 0.004 . . . . . A 72 LEU HB3 . 25442 1 744 . 1 1 72 72 LEU HG H 1 1.022 0.000 . . . . . A 72 LEU HG . 25442 1 745 . 1 1 72 72 LEU HD11 H 1 0.198 0.004 . . . . . A 72 LEU HD11 . 25442 1 746 . 1 1 72 72 LEU HD12 H 1 0.198 0.004 . . . . . A 72 LEU HD12 . 25442 1 747 . 1 1 72 72 LEU HD13 H 1 0.198 0.004 . . . . . A 72 LEU HD13 . 25442 1 748 . 1 1 72 72 LEU HD21 H 1 0.009 0.005 . . . . . A 72 LEU HD21 . 25442 1 749 . 1 1 72 72 LEU HD22 H 1 0.009 0.005 . . . . . A 72 LEU HD22 . 25442 1 750 . 1 1 72 72 LEU HD23 H 1 0.009 0.005 . . . . . A 72 LEU HD23 . 25442 1 751 . 1 1 72 72 LEU CA C 13 54.411 0.021 . . . . . A 72 LEU CA . 25442 1 752 . 1 1 72 72 LEU CB C 13 42.477 0.033 . . . . . A 72 LEU CB . 25442 1 753 . 1 1 72 72 LEU CG C 13 27.226 0.000 . . . . . A 72 LEU CG . 25442 1 754 . 1 1 72 72 LEU CD1 C 13 23.079 0.039 . . . . . A 72 LEU CD1 . 25442 1 755 . 1 1 72 72 LEU CD2 C 13 26.170 0.038 . . . . . A 72 LEU CD2 . 25442 1 756 . 1 1 72 72 LEU N N 15 116.460 0.028 . . . . . A 72 LEU N . 25442 1 757 . 1 1 73 73 ASN H H 1 6.956 0.004 . . . . . A 73 ASN H . 25442 1 758 . 1 1 73 73 ASN HA H 1 4.419 0.007 . . . . . A 73 ASN HA . 25442 1 759 . 1 1 73 73 ASN HB2 H 1 3.069 0.005 . . . . . A 73 ASN HB2 . 25442 1 760 . 1 1 73 73 ASN HB3 H 1 2.892 0.005 . . . . . A 73 ASN HB3 . 25442 1 761 . 1 1 73 73 ASN HD21 H 1 8.105 0.000 . . . . . A 73 ASN HD21 . 25442 1 762 . 1 1 73 73 ASN HD22 H 1 7.365 0.000 . . . . . A 73 ASN HD22 . 25442 1 763 . 1 1 73 73 ASN CA C 13 56.716 0.044 . . . . . A 73 ASN CA . 25442 1 764 . 1 1 73 73 ASN CB C 13 39.452 0.045 . . . . . A 73 ASN CB . 25442 1 765 . 1 1 73 73 ASN N N 15 118.618 0.053 . . . . . A 73 ASN N . 25442 1 766 . 1 1 73 73 ASN ND2 N 15 116.093 0.048 . . . . . A 73 ASN ND2 . 25442 1 767 . 1 1 74 74 GLY H H 1 9.379 0.004 . . . . . A 74 GLY H . 25442 1 768 . 1 1 74 74 GLY HA2 H 1 3.664 0.009 . . . . . A 74 GLY HA2 . 25442 1 769 . 1 1 74 74 GLY HA3 H 1 4.449 0.004 . . . . . A 74 GLY HA3 . 25442 1 770 . 1 1 74 74 GLY CA C 13 45.912 0.035 . . . . . A 74 GLY CA . 25442 1 771 . 1 1 74 74 GLY N N 15 116.095 0.018 . . . . . A 74 GLY N . 25442 1 772 . 1 1 75 75 PHE H H 1 8.211 0.005 . . . . . A 75 PHE H . 25442 1 773 . 1 1 75 75 PHE HA H 1 4.311 0.009 . . . . . A 75 PHE HA . 25442 1 774 . 1 1 75 75 PHE HB2 H 1 2.719 0.007 . . . . . A 75 PHE HB2 . 25442 1 775 . 1 1 75 75 PHE HB3 H 1 3.259 0.007 . . . . . A 75 PHE HB3 . 25442 1 776 . 1 1 75 75 PHE HD1 H 1 6.858 0.005 . . . . . A 75 PHE HD1 . 25442 1 777 . 1 1 75 75 PHE HD2 H 1 6.858 0.005 . . . . . A 75 PHE HD2 . 25442 1 778 . 1 1 75 75 PHE HE1 H 1 7.348 0.005 . . . . . A 75 PHE HE1 . 25442 1 779 . 1 1 75 75 PHE HE2 H 1 7.348 0.005 . . . . . A 75 PHE HE2 . 25442 1 780 . 1 1 75 75 PHE HZ H 1 7.436 0.004 . . . . . A 75 PHE HZ . 25442 1 781 . 1 1 75 75 PHE CA C 13 58.979 0.048 . . . . . A 75 PHE CA . 25442 1 782 . 1 1 75 75 PHE CB C 13 41.709 0.020 . . . . . A 75 PHE CB . 25442 1 783 . 1 1 75 75 PHE CD1 C 13 131.744 0.017 . . . . . A 75 PHE CD1 . 25442 1 784 . 1 1 75 75 PHE CD2 C 13 131.744 0.017 . . . . . A 75 PHE CD2 . 25442 1 785 . 1 1 75 75 PHE CE1 C 13 131.795 0.054 . . . . . A 75 PHE CE1 . 25442 1 786 . 1 1 75 75 PHE CE2 C 13 131.795 0.054 . . . . . A 75 PHE CE2 . 25442 1 787 . 1 1 75 75 PHE CZ C 13 129.591 0.042 . . . . . A 75 PHE CZ . 25442 1 788 . 1 1 75 75 PHE N N 15 123.354 0.045 . . . . . A 75 PHE N . 25442 1 789 . 1 1 76 76 LYS H H 1 7.648 0.002 . . . . . A 76 LYS H . 25442 1 790 . 1 1 76 76 LYS HA H 1 4.598 0.005 . . . . . A 76 LYS HA . 25442 1 791 . 1 1 76 76 LYS HB2 H 1 1.466 0.010 . . . . . A 76 LYS HB2 . 25442 1 792 . 1 1 76 76 LYS HB3 H 1 1.180 0.005 . . . . . A 76 LYS HB3 . 25442 1 793 . 1 1 76 76 LYS HG2 H 1 1.338 0.006 . . . . . A 76 LYS HG2 . 25442 1 794 . 1 1 76 76 LYS HG3 H 1 0.846 0.007 . . . . . A 76 LYS HG3 . 25442 1 795 . 1 1 76 76 LYS HD2 H 1 1.560 0.000 . . . . . A 76 LYS HD2 . 25442 1 796 . 1 1 76 76 LYS HD3 H 1 1.481 0.000 . . . . . A 76 LYS HD3 . 25442 1 797 . 1 1 76 76 LYS HE2 H 1 2.885 0.001 . . . . . A 76 LYS HE2 . 25442 1 798 . 1 1 76 76 LYS HE3 H 1 2.885 0.001 . . . . . A 76 LYS HE3 . 25442 1 799 . 1 1 76 76 LYS CA C 13 56.529 0.038 . . . . . A 76 LYS CA . 25442 1 800 . 1 1 76 76 LYS CB C 13 33.073 0.025 . . . . . A 76 LYS CB . 25442 1 801 . 1 1 76 76 LYS CG C 13 25.665 0.031 . . . . . A 76 LYS CG . 25442 1 802 . 1 1 76 76 LYS CD C 13 29.507 0.010 . . . . . A 76 LYS CD . 25442 1 803 . 1 1 76 76 LYS CE C 13 41.987 0.022 . . . . . A 76 LYS CE . 25442 1 804 . 1 1 76 76 LYS N N 15 127.267 0.028 . . . . . A 76 LYS N . 25442 1 805 . 1 1 77 77 ILE H H 1 8.100 0.004 . . . . . A 77 ILE H . 25442 1 806 . 1 1 77 77 ILE HA H 1 4.406 0.006 . . . . . A 77 ILE HA . 25442 1 807 . 1 1 77 77 ILE HB H 1 1.938 0.004 . . . . . A 77 ILE HB . 25442 1 808 . 1 1 77 77 ILE HG12 H 1 1.366 0.007 . . . . . A 77 ILE HG12 . 25442 1 809 . 1 1 77 77 ILE HG13 H 1 1.771 0.005 . . . . . A 77 ILE HG13 . 25442 1 810 . 1 1 77 77 ILE HG21 H 1 1.047 0.006 . . . . . A 77 ILE HG21 . 25442 1 811 . 1 1 77 77 ILE HG22 H 1 1.047 0.006 . . . . . A 77 ILE HG22 . 25442 1 812 . 1 1 77 77 ILE HG23 H 1 1.047 0.006 . . . . . A 77 ILE HG23 . 25442 1 813 . 1 1 77 77 ILE HD11 H 1 1.044 0.007 . . . . . A 77 ILE HD11 . 25442 1 814 . 1 1 77 77 ILE HD12 H 1 1.044 0.007 . . . . . A 77 ILE HD12 . 25442 1 815 . 1 1 77 77 ILE HD13 H 1 1.044 0.007 . . . . . A 77 ILE HD13 . 25442 1 816 . 1 1 77 77 ILE CA C 13 60.214 0.042 . . . . . A 77 ILE CA . 25442 1 817 . 1 1 77 77 ILE CB C 13 40.048 0.044 . . . . . A 77 ILE CB . 25442 1 818 . 1 1 77 77 ILE CG1 C 13 27.166 0.021 . . . . . A 77 ILE CG1 . 25442 1 819 . 1 1 77 77 ILE CG2 C 13 17.073 0.023 . . . . . A 77 ILE CG2 . 25442 1 820 . 1 1 77 77 ILE CD1 C 13 13.741 0.026 . . . . . A 77 ILE CD1 . 25442 1 821 . 1 1 77 77 ILE N N 15 121.576 0.032 . . . . . A 77 ILE N . 25442 1 822 . 1 1 78 78 GLY CA C 13 47.118 0.000 . . . . . A 78 GLY CA . 25442 1 823 . 1 1 79 79 GLY HA2 H 1 3.602 0.013 . . . . . A 79 GLY HA2 . 25442 1 824 . 1 1 79 79 GLY HA3 H 1 4.205 0.005 . . . . . A 79 GLY HA3 . 25442 1 825 . 1 1 79 79 GLY CA C 13 45.171 0.032 . . . . . A 79 GLY CA . 25442 1 826 . 1 1 80 80 ARG H H 1 7.379 0.006 . . . . . A 80 ARG H . 25442 1 827 . 1 1 80 80 ARG HA H 1 4.650 0.002 . . . . . A 80 ARG HA . 25442 1 828 . 1 1 80 80 ARG HB2 H 1 2.006 0.006 . . . . . A 80 ARG HB2 . 25442 1 829 . 1 1 80 80 ARG HB3 H 1 1.832 0.008 . . . . . A 80 ARG HB3 . 25442 1 830 . 1 1 80 80 ARG HG2 H 1 1.590 0.003 . . . . . A 80 ARG HG2 . 25442 1 831 . 1 1 80 80 ARG HG3 H 1 1.590 0.003 . . . . . A 80 ARG HG3 . 25442 1 832 . 1 1 80 80 ARG HD2 H 1 2.947 0.006 . . . . . A 80 ARG HD2 . 25442 1 833 . 1 1 80 80 ARG HD3 H 1 3.092 0.006 . . . . . A 80 ARG HD3 . 25442 1 834 . 1 1 80 80 ARG CA C 13 54.849 0.043 . . . . . A 80 ARG CA . 25442 1 835 . 1 1 80 80 ARG CB C 13 33.411 0.012 . . . . . A 80 ARG CB . 25442 1 836 . 1 1 80 80 ARG CG C 13 27.503 0.011 . . . . . A 80 ARG CG . 25442 1 837 . 1 1 80 80 ARG CD C 13 43.258 0.033 . . . . . A 80 ARG CD . 25442 1 838 . 1 1 80 80 ARG N N 15 119.377 0.035 . . . . . A 80 ARG N . 25442 1 839 . 1 1 81 81 ALA H H 1 8.734 0.006 . . . . . A 81 ALA H . 25442 1 840 . 1 1 81 81 ALA HA H 1 4.137 0.004 . . . . . A 81 ALA HA . 25442 1 841 . 1 1 81 81 ALA HB1 H 1 1.220 0.006 . . . . . A 81 ALA HB1 . 25442 1 842 . 1 1 81 81 ALA HB2 H 1 1.220 0.006 . . . . . A 81 ALA HB2 . 25442 1 843 . 1 1 81 81 ALA HB3 H 1 1.220 0.006 . . . . . A 81 ALA HB3 . 25442 1 844 . 1 1 81 81 ALA CA C 13 51.454 0.047 . . . . . A 81 ALA CA . 25442 1 845 . 1 1 81 81 ALA CB C 13 19.131 0.033 . . . . . A 81 ALA CB . 25442 1 846 . 1 1 81 81 ALA N N 15 126.782 0.015 . . . . . A 81 ALA N . 25442 1 847 . 1 1 82 82 LEU H H 1 8.736 0.004 . . . . . A 82 LEU H . 25442 1 848 . 1 1 82 82 LEU HA H 1 4.390 0.007 . . . . . A 82 LEU HA . 25442 1 849 . 1 1 82 82 LEU HB2 H 1 1.313 0.007 . . . . . A 82 LEU HB2 . 25442 1 850 . 1 1 82 82 LEU HB3 H 1 2.507 0.000 . . . . . A 82 LEU HB3 . 25442 1 851 . 1 1 82 82 LEU HG H 1 2.300 0.010 . . . . . A 82 LEU HG . 25442 1 852 . 1 1 82 82 LEU HD11 H 1 1.136 0.005 . . . . . A 82 LEU HD11 . 25442 1 853 . 1 1 82 82 LEU HD12 H 1 1.136 0.005 . . . . . A 82 LEU HD12 . 25442 1 854 . 1 1 82 82 LEU HD13 H 1 1.136 0.005 . . . . . A 82 LEU HD13 . 25442 1 855 . 1 1 82 82 LEU HD21 H 1 0.937 0.005 . . . . . A 82 LEU HD21 . 25442 1 856 . 1 1 82 82 LEU HD22 H 1 0.937 0.005 . . . . . A 82 LEU HD22 . 25442 1 857 . 1 1 82 82 LEU HD23 H 1 0.937 0.005 . . . . . A 82 LEU HD23 . 25442 1 858 . 1 1 82 82 LEU CA C 13 56.196 0.000 . . . . . A 82 LEU CA . 25442 1 859 . 1 1 82 82 LEU CB C 13 43.362 0.040 . . . . . A 82 LEU CB . 25442 1 860 . 1 1 82 82 LEU CG C 13 27.051 0.012 . . . . . A 82 LEU CG . 25442 1 861 . 1 1 82 82 LEU CD1 C 13 26.481 0.032 . . . . . A 82 LEU CD1 . 25442 1 862 . 1 1 82 82 LEU CD2 C 13 23.834 0.043 . . . . . A 82 LEU CD2 . 25442 1 863 . 1 1 82 82 LEU N N 15 125.769 0.038 . . . . . A 82 LEU N . 25442 1 864 . 1 1 83 83 LYS H H 1 7.838 0.004 . . . . . A 83 LYS H . 25442 1 865 . 1 1 83 83 LYS HA H 1 5.005 0.008 . . . . . A 83 LYS HA . 25442 1 866 . 1 1 83 83 LYS HB2 H 1 1.707 0.003 . . . . . A 83 LYS HB2 . 25442 1 867 . 1 1 83 83 LYS HB3 H 1 1.766 0.009 . . . . . A 83 LYS HB3 . 25442 1 868 . 1 1 83 83 LYS HG2 H 1 1.478 0.005 . . . . . A 83 LYS HG2 . 25442 1 869 . 1 1 83 83 LYS HG3 H 1 1.478 0.005 . . . . . A 83 LYS HG3 . 25442 1 870 . 1 1 83 83 LYS HD2 H 1 1.788 0.005 . . . . . A 83 LYS HD2 . 25442 1 871 . 1 1 83 83 LYS HD3 H 1 1.788 0.005 . . . . . A 83 LYS HD3 . 25442 1 872 . 1 1 83 83 LYS HE2 H 1 3.021 0.006 . . . . . A 83 LYS HE2 . 25442 1 873 . 1 1 83 83 LYS HE3 H 1 3.021 0.006 . . . . . A 83 LYS HE3 . 25442 1 874 . 1 1 83 83 LYS CA C 13 54.790 0.043 . . . . . A 83 LYS CA . 25442 1 875 . 1 1 83 83 LYS CB C 13 34.212 0.039 . . . . . A 83 LYS CB . 25442 1 876 . 1 1 83 83 LYS CG C 13 24.965 0.032 . . . . . A 83 LYS CG . 25442 1 877 . 1 1 83 83 LYS CD C 13 29.205 0.034 . . . . . A 83 LYS CD . 25442 1 878 . 1 1 83 83 LYS CE C 13 42.503 0.040 . . . . . A 83 LYS CE . 25442 1 879 . 1 1 83 83 LYS N N 15 123.851 0.038 . . . . . A 83 LYS N . 25442 1 880 . 1 1 84 84 ILE H H 1 8.727 0.002 . . . . . A 84 ILE H . 25442 1 881 . 1 1 84 84 ILE HA H 1 5.576 0.008 . . . . . A 84 ILE HA . 25442 1 882 . 1 1 84 84 ILE HB H 1 1.733 0.007 . . . . . A 84 ILE HB . 25442 1 883 . 1 1 84 84 ILE HG12 H 1 1.519 0.004 . . . . . A 84 ILE HG12 . 25442 1 884 . 1 1 84 84 ILE HG13 H 1 1.248 0.007 . . . . . A 84 ILE HG13 . 25442 1 885 . 1 1 84 84 ILE HG21 H 1 0.950 0.003 . . . . . A 84 ILE HG21 . 25442 1 886 . 1 1 84 84 ILE HG22 H 1 0.950 0.003 . . . . . A 84 ILE HG22 . 25442 1 887 . 1 1 84 84 ILE HG23 H 1 0.950 0.003 . . . . . A 84 ILE HG23 . 25442 1 888 . 1 1 84 84 ILE HD11 H 1 1.036 0.003 . . . . . A 84 ILE HD11 . 25442 1 889 . 1 1 84 84 ILE HD12 H 1 1.036 0.003 . . . . . A 84 ILE HD12 . 25442 1 890 . 1 1 84 84 ILE HD13 H 1 1.036 0.003 . . . . . A 84 ILE HD13 . 25442 1 891 . 1 1 84 84 ILE CA C 13 58.513 0.053 . . . . . A 84 ILE CA . 25442 1 892 . 1 1 84 84 ILE CB C 13 40.310 0.011 . . . . . A 84 ILE CB . 25442 1 893 . 1 1 84 84 ILE CG1 C 13 27.805 0.016 . . . . . A 84 ILE CG1 . 25442 1 894 . 1 1 84 84 ILE CG2 C 13 20.041 0.035 . . . . . A 84 ILE CG2 . 25442 1 895 . 1 1 84 84 ILE CD1 C 13 15.531 0.026 . . . . . A 84 ILE CD1 . 25442 1 896 . 1 1 84 84 ILE N N 15 125.629 0.029 . . . . . A 84 ILE N . 25442 1 897 . 1 1 85 85 ASP H H 1 8.960 0.005 . . . . . A 85 ASP H . 25442 1 898 . 1 1 85 85 ASP HA H 1 5.094 0.010 . . . . . A 85 ASP HA . 25442 1 899 . 1 1 85 85 ASP HB2 H 1 2.474 0.004 . . . . . A 85 ASP HB2 . 25442 1 900 . 1 1 85 85 ASP HB3 H 1 2.798 0.004 . . . . . A 85 ASP HB3 . 25442 1 901 . 1 1 85 85 ASP CA C 13 52.697 0.040 . . . . . A 85 ASP CA . 25442 1 902 . 1 1 85 85 ASP CB C 13 45.574 0.028 . . . . . A 85 ASP CB . 25442 1 903 . 1 1 85 85 ASP N N 15 124.427 0.030 . . . . . A 85 ASP N . 25442 1 904 . 1 1 86 86 HIS H H 1 8.783 0.004 . . . . . A 86 HIS H . 25442 1 905 . 1 1 86 86 HIS HA H 1 4.635 0.000 . . . . . A 86 HIS HA . 25442 1 906 . 1 1 86 86 HIS HB2 H 1 2.885 0.009 . . . . . A 86 HIS HB2 . 25442 1 907 . 1 1 86 86 HIS HB3 H 1 3.155 0.005 . . . . . A 86 HIS HB3 . 25442 1 908 . 1 1 86 86 HIS HD2 H 1 7.123 0.002 . . . . . A 86 HIS HD2 . 25442 1 909 . 1 1 86 86 HIS HE1 H 1 7.420 0.003 . . . . . A 86 HIS HE1 . 25442 1 910 . 1 1 86 86 HIS CA C 13 58.158 0.072 . . . . . A 86 HIS CA . 25442 1 911 . 1 1 86 86 HIS CB C 13 31.368 0.028 . . . . . A 86 HIS CB . 25442 1 912 . 1 1 86 86 HIS CD2 C 13 121.355 0.020 . . . . . A 86 HIS CD2 . 25442 1 913 . 1 1 86 86 HIS CE1 C 13 137.945 0.028 . . . . . A 86 HIS CE1 . 25442 1 914 . 1 1 86 86 HIS N N 15 121.356 0.036 . . . . . A 86 HIS N . 25442 1 915 . 1 1 87 87 THR H H 1 8.032 0.005 . . . . . A 87 THR H . 25442 1 916 . 1 1 87 87 THR HA H 1 4.691 0.000 . . . . . A 87 THR HA . 25442 1 917 . 1 1 87 87 THR HB H 1 4.108 0.000 . . . . . A 87 THR HB . 25442 1 918 . 1 1 87 87 THR HG21 H 1 1.213 0.004 . . . . . A 87 THR HG21 . 25442 1 919 . 1 1 87 87 THR HG22 H 1 1.213 0.004 . . . . . A 87 THR HG22 . 25442 1 920 . 1 1 87 87 THR HG23 H 1 1.213 0.004 . . . . . A 87 THR HG23 . 25442 1 921 . 1 1 87 87 THR CA C 13 60.890 0.014 . . . . . A 87 THR CA . 25442 1 922 . 1 1 87 87 THR CB C 13 70.215 0.000 . . . . . A 87 THR CB . 25442 1 923 . 1 1 87 87 THR CG2 C 13 20.780 0.021 . . . . . A 87 THR CG2 . 25442 1 924 . 1 1 87 87 THR N N 15 114.331 0.017 . . . . . A 87 THR N . 25442 1 925 . 1 1 88 88 PHE H H 1 8.233 0.000 . . . . . A 88 PHE H . 25442 1 926 . 1 1 88 88 PHE HA H 1 4.305 0.001 . . . . . A 88 PHE HA . 25442 1 927 . 1 1 88 88 PHE HB2 H 1 3.172 0.005 . . . . . A 88 PHE HB2 . 25442 1 928 . 1 1 88 88 PHE HB3 H 1 2.944 0.010 . . . . . A 88 PHE HB3 . 25442 1 929 . 1 1 88 88 PHE HD1 H 1 7.235 0.002 . . . . . A 88 PHE HD1 . 25442 1 930 . 1 1 88 88 PHE HD2 H 1 7.235 0.002 . . . . . A 88 PHE HD2 . 25442 1 931 . 1 1 88 88 PHE HE1 H 1 7.312 0.001 . . . . . A 88 PHE HE1 . 25442 1 932 . 1 1 88 88 PHE HE2 H 1 7.312 0.001 . . . . . A 88 PHE HE2 . 25442 1 933 . 1 1 88 88 PHE CA C 13 58.926 0.006 . . . . . A 88 PHE CA . 25442 1 934 . 1 1 88 88 PHE CB C 13 39.673 0.024 . . . . . A 88 PHE CB . 25442 1 935 . 1 1 88 88 PHE CD1 C 13 131.817 0.023 . . . . . A 88 PHE CD1 . 25442 1 936 . 1 1 88 88 PHE CD2 C 13 131.817 0.023 . . . . . A 88 PHE CD2 . 25442 1 937 . 1 1 88 88 PHE CE1 C 13 131.612 0.019 . . . . . A 88 PHE CE1 . 25442 1 938 . 1 1 88 88 PHE CE2 C 13 131.612 0.019 . . . . . A 88 PHE CE2 . 25442 1 939 . 1 1 88 88 PHE N N 15 118.673 0.000 . . . . . A 88 PHE N . 25442 1 940 . 1 1 89 89 TYR H H 1 8.246 0.007 . . . . . A 89 TYR H . 25442 1 941 . 1 1 89 89 TYR HA H 1 4.193 0.006 . . . . . A 89 TYR HA . 25442 1 942 . 1 1 89 89 TYR HB2 H 1 2.186 0.019 . . . . . A 89 TYR HB2 . 25442 1 943 . 1 1 89 89 TYR HB3 H 1 2.535 0.013 . . . . . A 89 TYR HB3 . 25442 1 944 . 1 1 89 89 TYR HD1 H 1 6.174 0.004 . . . . . A 89 TYR HD1 . 25442 1 945 . 1 1 89 89 TYR HD2 H 1 6.174 0.004 . . . . . A 89 TYR HD2 . 25442 1 946 . 1 1 89 89 TYR HE1 H 1 6.312 0.003 . . . . . A 89 TYR HE1 . 25442 1 947 . 1 1 89 89 TYR HE2 H 1 6.312 0.003 . . . . . A 89 TYR HE2 . 25442 1 948 . 1 1 89 89 TYR CA C 13 58.510 0.021 . . . . . A 89 TYR CA . 25442 1 949 . 1 1 89 89 TYR CB C 13 39.993 0.048 . . . . . A 89 TYR CB . 25442 1 950 . 1 1 89 89 TYR CD1 C 13 132.391 0.032 . . . . . A 89 TYR CD1 . 25442 1 951 . 1 1 89 89 TYR CD2 C 13 132.391 0.032 . . . . . A 89 TYR CD2 . 25442 1 952 . 1 1 89 89 TYR CE1 C 13 117.613 0.018 . . . . . A 89 TYR CE1 . 25442 1 953 . 1 1 89 89 TYR CE2 C 13 117.613 0.018 . . . . . A 89 TYR CE2 . 25442 1 954 . 1 1 89 89 TYR N N 15 124.182 0.020 . . . . . A 89 TYR N . 25442 1 955 . 1 1 90 90 ARG H H 1 7.223 0.011 . . . . . A 90 ARG H . 25442 1 956 . 1 1 90 90 ARG HA H 1 4.219 0.007 . . . . . A 90 ARG HA . 25442 1 957 . 1 1 90 90 ARG HB2 H 1 1.439 0.003 . . . . . A 90 ARG HB2 . 25442 1 958 . 1 1 90 90 ARG HB3 H 1 1.575 0.007 . . . . . A 90 ARG HB3 . 25442 1 959 . 1 1 90 90 ARG HG2 H 1 1.459 0.012 . . . . . A 90 ARG HG2 . 25442 1 960 . 1 1 90 90 ARG HG3 H 1 1.459 0.012 . . . . . A 90 ARG HG3 . 25442 1 961 . 1 1 90 90 ARG HD2 H 1 3.095 0.003 . . . . . A 90 ARG HD2 . 25442 1 962 . 1 1 90 90 ARG HD3 H 1 3.095 0.003 . . . . . A 90 ARG HD3 . 25442 1 963 . 1 1 90 90 ARG CA C 13 52.511 0.000 . . . . . A 90 ARG CA . 25442 1 964 . 1 1 90 90 ARG CB C 13 31.298 0.011 . . . . . A 90 ARG CB . 25442 1 965 . 1 1 90 90 ARG CG C 13 26.827 0.000 . . . . . A 90 ARG CG . 25442 1 966 . 1 1 90 90 ARG CD C 13 43.517 0.015 . . . . . A 90 ARG CD . 25442 1 967 . 1 1 90 90 ARG N N 15 125.111 0.032 . . . . . A 90 ARG N . 25442 1 968 . 1 1 91 91 PRO HA H 1 4.028 0.004 . . . . . A 91 PRO HA . 25442 1 969 . 1 1 91 91 PRO HB2 H 1 2.009 0.008 . . . . . A 91 PRO HB2 . 25442 1 970 . 1 1 91 91 PRO HB3 H 1 1.717 0.006 . . . . . A 91 PRO HB3 . 25442 1 971 . 1 1 91 91 PRO HG2 H 1 1.638 0.013 . . . . . A 91 PRO HG2 . 25442 1 972 . 1 1 91 91 PRO HG3 H 1 1.724 0.003 . . . . . A 91 PRO HG3 . 25442 1 973 . 1 1 91 91 PRO HD2 H 1 2.905 0.004 . . . . . A 91 PRO HD2 . 25442 1 974 . 1 1 91 91 PRO HD3 H 1 3.166 0.007 . . . . . A 91 PRO HD3 . 25442 1 975 . 1 1 91 91 PRO CA C 13 62.759 0.011 . . . . . A 91 PRO CA . 25442 1 976 . 1 1 91 91 PRO CB C 13 32.074 0.020 . . . . . A 91 PRO CB . 25442 1 977 . 1 1 91 91 PRO CG C 13 27.089 0.020 . . . . . A 91 PRO CG . 25442 1 978 . 1 1 91 91 PRO CD C 13 50.347 0.026 . . . . . A 91 PRO CD . 25442 1 979 . 1 1 94 94 SER HA H 1 4.466 0.013 . . . . . A 94 SER HA . 25442 1 980 . 1 1 94 94 SER HB2 H 1 3.873 0.001 . . . . . A 94 SER HB2 . 25442 1 981 . 1 1 94 94 SER HB3 H 1 3.873 0.001 . . . . . A 94 SER HB3 . 25442 1 982 . 1 1 94 94 SER CA C 13 58.273 0.052 . . . . . A 94 SER CA . 25442 1 983 . 1 1 94 94 SER CB C 13 63.656 0.000 . . . . . A 94 SER CB . 25442 1 984 . 1 1 95 95 LEU HA H 1 4.369 0.004 . . . . . A 95 LEU HA . 25442 1 985 . 1 1 95 95 LEU HB2 H 1 1.633 0.004 . . . . . A 95 LEU HB2 . 25442 1 986 . 1 1 95 95 LEU HB3 H 1 1.675 0.003 . . . . . A 95 LEU HB3 . 25442 1 987 . 1 1 95 95 LEU HG H 1 1.626 0.003 . . . . . A 95 LEU HG . 25442 1 988 . 1 1 95 95 LEU HD11 H 1 0.858 0.002 . . . . . A 95 LEU HD11 . 25442 1 989 . 1 1 95 95 LEU HD12 H 1 0.858 0.002 . . . . . A 95 LEU HD12 . 25442 1 990 . 1 1 95 95 LEU HD13 H 1 0.858 0.002 . . . . . A 95 LEU HD13 . 25442 1 991 . 1 1 95 95 LEU HD21 H 1 0.923 0.005 . . . . . A 95 LEU HD21 . 25442 1 992 . 1 1 95 95 LEU HD22 H 1 0.923 0.005 . . . . . A 95 LEU HD22 . 25442 1 993 . 1 1 95 95 LEU HD23 H 1 0.923 0.005 . . . . . A 95 LEU HD23 . 25442 1 994 . 1 1 95 95 LEU CA C 13 55.482 0.036 . . . . . A 95 LEU CA . 25442 1 995 . 1 1 95 95 LEU CB C 13 42.350 0.000 . . . . . A 95 LEU CB . 25442 1 996 . 1 1 95 95 LEU CG C 13 27.155 0.056 . . . . . A 95 LEU CG . 25442 1 997 . 1 1 95 95 LEU CD1 C 13 23.539 0.016 . . . . . A 95 LEU CD1 . 25442 1 998 . 1 1 95 95 LEU CD2 C 13 25.012 0.031 . . . . . A 95 LEU CD2 . 25442 1 999 . 1 1 97 97 LYS HA H 1 4.197 0.008 . . . . . A 97 LYS HA . 25442 1 1000 . 1 1 97 97 LYS HB2 H 1 1.637 0.001 . . . . . A 97 LYS HB2 . 25442 1 1001 . 1 1 97 97 LYS HB3 H 1 1.637 0.001 . . . . . A 97 LYS HB3 . 25442 1 1002 . 1 1 97 97 LYS HG2 H 1 1.238 0.009 . . . . . A 97 LYS HG2 . 25442 1 1003 . 1 1 97 97 LYS HG3 H 1 1.238 0.009 . . . . . A 97 LYS HG3 . 25442 1 1004 . 1 1 97 97 LYS HD2 H 1 1.623 0.002 . . . . . A 97 LYS HD2 . 25442 1 1005 . 1 1 97 97 LYS HD3 H 1 1.623 0.002 . . . . . A 97 LYS HD3 . 25442 1 1006 . 1 1 97 97 LYS HE2 H 1 2.949 0.000 . . . . . A 97 LYS HE2 . 25442 1 1007 . 1 1 97 97 LYS HE3 H 1 2.949 0.000 . . . . . A 97 LYS HE3 . 25442 1 1008 . 1 1 97 97 LYS CA C 13 56.923 0.000 . . . . . A 97 LYS CA . 25442 1 1009 . 1 1 97 97 LYS CB C 13 32.936 0.022 . . . . . A 97 LYS CB . 25442 1 1010 . 1 1 97 97 LYS CG C 13 24.500 0.000 . . . . . A 97 LYS CG . 25442 1 1011 . 1 1 97 97 LYS CD C 13 28.989 0.011 . . . . . A 97 LYS CD . 25442 1 1012 . 1 1 98 98 TYR H H 1 7.979 0.012 . . . . . A 98 TYR H . 25442 1 1013 . 1 1 98 98 TYR HA H 1 4.477 0.009 . . . . . A 98 TYR HA . 25442 1 1014 . 1 1 98 98 TYR HB2 H 1 2.939 0.000 . . . . . A 98 TYR HB2 . 25442 1 1015 . 1 1 98 98 TYR HB3 H 1 2.989 0.000 . . . . . A 98 TYR HB3 . 25442 1 1016 . 1 1 98 98 TYR HD1 H 1 7.015 0.001 . . . . . A 98 TYR HD1 . 25442 1 1017 . 1 1 98 98 TYR HD2 H 1 7.015 0.001 . . . . . A 98 TYR HD2 . 25442 1 1018 . 1 1 98 98 TYR HE1 H 1 6.800 0.006 . . . . . A 98 TYR HE1 . 25442 1 1019 . 1 1 98 98 TYR HE2 H 1 6.800 0.006 . . . . . A 98 TYR HE2 . 25442 1 1020 . 1 1 98 98 TYR CA C 13 58.249 0.000 . . . . . A 98 TYR CA . 25442 1 1021 . 1 1 98 98 TYR CB C 13 38.659 0.012 . . . . . A 98 TYR CB . 25442 1 1022 . 1 1 98 98 TYR CD1 C 13 133.224 0.015 . . . . . A 98 TYR CD1 . 25442 1 1023 . 1 1 98 98 TYR CD2 C 13 133.224 0.015 . . . . . A 98 TYR CD2 . 25442 1 1024 . 1 1 98 98 TYR CE1 C 13 118.294 0.001 . . . . . A 98 TYR CE1 . 25442 1 1025 . 1 1 98 98 TYR CE2 C 13 118.294 0.001 . . . . . A 98 TYR CE2 . 25442 1 1026 . 1 1 98 98 TYR N N 15 120.486 0.008 . . . . . A 98 TYR N . 25442 1 1027 . 1 1 99 99 TYR H H 1 7.918 0.001 . . . . . A 99 TYR H . 25442 1 1028 . 1 1 99 99 TYR HA H 1 4.455 0.001 . . . . . A 99 TYR HA . 25442 1 1029 . 1 1 99 99 TYR HB2 H 1 2.998 0.000 . . . . . A 99 TYR HB2 . 25442 1 1030 . 1 1 99 99 TYR HB3 H 1 2.928 0.000 . . . . . A 99 TYR HB3 . 25442 1 1031 . 1 1 99 99 TYR HD1 H 1 7.077 0.002 . . . . . A 99 TYR HD1 . 25442 1 1032 . 1 1 99 99 TYR HD2 H 1 7.077 0.002 . . . . . A 99 TYR HD2 . 25442 1 1033 . 1 1 99 99 TYR HE1 H 1 6.831 0.002 . . . . . A 99 TYR HE1 . 25442 1 1034 . 1 1 99 99 TYR HE2 H 1 6.831 0.002 . . . . . A 99 TYR HE2 . 25442 1 1035 . 1 1 99 99 TYR CA C 13 58.281 0.060 . . . . . A 99 TYR CA . 25442 1 1036 . 1 1 99 99 TYR CB C 13 38.902 0.000 . . . . . A 99 TYR CB . 25442 1 1037 . 1 1 99 99 TYR CD1 C 13 133.250 0.016 . . . . . A 99 TYR CD1 . 25442 1 1038 . 1 1 99 99 TYR CD2 C 13 133.250 0.016 . . . . . A 99 TYR CD2 . 25442 1 1039 . 1 1 99 99 TYR CE1 C 13 117.703 0.004 . . . . . A 99 TYR CE1 . 25442 1 1040 . 1 1 99 99 TYR CE2 C 13 117.703 0.004 . . . . . A 99 TYR CE2 . 25442 1 1041 . 1 1 99 99 TYR N N 15 120.784 0.001 . . . . . A 99 TYR N . 25442 1 1042 . 1 1 100 100 GLU H H 1 8.055 0.003 . . . . . A 100 GLU H . 25442 1 1043 . 1 1 100 100 GLU HA H 1 4.171 0.000 . . . . . A 100 GLU HA . 25442 1 1044 . 1 1 100 100 GLU CA C 13 56.766 0.024 . . . . . A 100 GLU CA . 25442 1 1045 . 1 1 100 100 GLU N N 15 122.033 0.022 . . . . . A 100 GLU N . 25442 1 1046 . 1 1 101 101 ALA H H 1 8.040 0.003 . . . . . A 101 ALA H . 25442 1 1047 . 1 1 101 101 ALA HA H 1 4.283 0.004 . . . . . A 101 ALA HA . 25442 1 1048 . 1 1 101 101 ALA HB1 H 1 1.394 0.004 . . . . . A 101 ALA HB1 . 25442 1 1049 . 1 1 101 101 ALA HB2 H 1 1.394 0.004 . . . . . A 101 ALA HB2 . 25442 1 1050 . 1 1 101 101 ALA HB3 H 1 1.394 0.004 . . . . . A 101 ALA HB3 . 25442 1 1051 . 1 1 101 101 ALA CA C 13 52.795 0.057 . . . . . A 101 ALA CA . 25442 1 1052 . 1 1 101 101 ALA CB C 13 19.150 0.043 . . . . . A 101 ALA CB . 25442 1 1053 . 1 1 101 101 ALA N N 15 124.629 0.028 . . . . . A 101 ALA N . 25442 1 1054 . 1 1 102 102 VAL H H 1 7.960 0.003 . . . . . A 102 VAL H . 25442 1 1055 . 1 1 102 102 VAL HA H 1 4.039 0.003 . . . . . A 102 VAL HA . 25442 1 1056 . 1 1 102 102 VAL HB H 1 2.065 0.006 . . . . . A 102 VAL HB . 25442 1 1057 . 1 1 102 102 VAL HG11 H 1 0.912 0.003 . . . . . A 102 VAL HG11 . 25442 1 1058 . 1 1 102 102 VAL HG12 H 1 0.912 0.003 . . . . . A 102 VAL HG12 . 25442 1 1059 . 1 1 102 102 VAL HG13 H 1 0.912 0.003 . . . . . A 102 VAL HG13 . 25442 1 1060 . 1 1 102 102 VAL HG21 H 1 0.913 0.003 . . . . . A 102 VAL HG21 . 25442 1 1061 . 1 1 102 102 VAL HG22 H 1 0.913 0.003 . . . . . A 102 VAL HG22 . 25442 1 1062 . 1 1 102 102 VAL HG23 H 1 0.913 0.003 . . . . . A 102 VAL HG23 . 25442 1 1063 . 1 1 102 102 VAL CA C 13 62.675 0.074 . . . . . A 102 VAL CA . 25442 1 1064 . 1 1 102 102 VAL CB C 13 32.610 0.026 . . . . . A 102 VAL CB . 25442 1 1065 . 1 1 102 102 VAL CG1 C 13 20.862 0.010 . . . . . A 102 VAL CG1 . 25442 1 1066 . 1 1 102 102 VAL CG2 C 13 21.300 0.010 . . . . . A 102 VAL CG2 . 25442 1 1067 . 1 1 102 102 VAL N N 15 119.031 0.016 . . . . . A 102 VAL N . 25442 1 1068 . 1 1 103 103 LYS H H 1 8.207 0.003 . . . . . A 103 LYS H . 25442 1 1069 . 1 1 103 103 LYS HA H 1 4.258 0.001 . . . . . A 103 LYS HA . 25442 1 1070 . 1 1 103 103 LYS HB2 H 1 1.815 0.005 . . . . . A 103 LYS HB2 . 25442 1 1071 . 1 1 103 103 LYS HB3 H 1 1.755 0.005 . . . . . A 103 LYS HB3 . 25442 1 1072 . 1 1 103 103 LYS HG2 H 1 1.418 0.007 . . . . . A 103 LYS HG2 . 25442 1 1073 . 1 1 103 103 LYS HG3 H 1 1.418 0.007 . . . . . A 103 LYS HG3 . 25442 1 1074 . 1 1 103 103 LYS HD2 H 1 1.672 0.000 . . . . . A 103 LYS HD2 . 25442 1 1075 . 1 1 103 103 LYS HD3 H 1 1.672 0.000 . . . . . A 103 LYS HD3 . 25442 1 1076 . 1 1 103 103 LYS HE2 H 1 3.006 0.000 . . . . . A 103 LYS HE2 . 25442 1 1077 . 1 1 103 103 LYS HE3 H 1 3.006 0.000 . . . . . A 103 LYS HE3 . 25442 1 1078 . 1 1 103 103 LYS CA C 13 56.797 0.063 . . . . . A 103 LYS CA . 25442 1 1079 . 1 1 103 103 LYS CB C 13 33.012 0.039 . . . . . A 103 LYS CB . 25442 1 1080 . 1 1 103 103 LYS CG C 13 24.512 0.000 . . . . . A 103 LYS CG . 25442 1 1081 . 1 1 103 103 LYS CD C 13 28.961 0.000 . . . . . A 103 LYS CD . 25442 1 1082 . 1 1 103 103 LYS CE C 13 42.341 0.000 . . . . . A 103 LYS CE . 25442 1 1083 . 1 1 103 103 LYS N N 15 124.562 0.014 . . . . . A 103 LYS N . 25442 1 1084 . 1 1 104 104 GLU H H 1 8.325 0.002 . . . . . A 104 GLU H . 25442 1 1085 . 1 1 104 104 GLU HA H 1 4.263 0.009 . . . . . A 104 GLU HA . 25442 1 1086 . 1 1 104 104 GLU HB2 H 1 1.947 0.009 . . . . . A 104 GLU HB2 . 25442 1 1087 . 1 1 104 104 GLU HB3 H 1 2.049 0.005 . . . . . A 104 GLU HB3 . 25442 1 1088 . 1 1 104 104 GLU HG2 H 1 2.262 0.004 . . . . . A 104 GLU HG2 . 25442 1 1089 . 1 1 104 104 GLU HG3 H 1 2.262 0.004 . . . . . A 104 GLU HG3 . 25442 1 1090 . 1 1 104 104 GLU CA C 13 57.034 0.057 . . . . . A 104 GLU CA . 25442 1 1091 . 1 1 104 104 GLU CB C 13 30.351 0.030 . . . . . A 104 GLU CB . 25442 1 1092 . 1 1 104 104 GLU CG C 13 36.500 0.012 . . . . . A 104 GLU CG . 25442 1 1093 . 1 1 104 104 GLU N N 15 121.722 0.012 . . . . . A 104 GLU N . 25442 1 1094 . 1 1 105 105 GLU H H 1 8.288 0.007 . . . . . A 105 GLU H . 25442 1 1095 . 1 1 105 105 GLU HA H 1 4.264 0.008 . . . . . A 105 GLU HA . 25442 1 1096 . 1 1 105 105 GLU HB2 H 1 1.946 0.009 . . . . . A 105 GLU HB2 . 25442 1 1097 . 1 1 105 105 GLU HB3 H 1 2.049 0.005 . . . . . A 105 GLU HB3 . 25442 1 1098 . 1 1 105 105 GLU HG2 H 1 2.262 0.004 . . . . . A 105 GLU HG2 . 25442 1 1099 . 1 1 105 105 GLU HG3 H 1 2.262 0.004 . . . . . A 105 GLU HG3 . 25442 1 1100 . 1 1 105 105 GLU CA C 13 56.802 0.003 . . . . . A 105 GLU CA . 25442 1 1101 . 1 1 105 105 GLU CB C 13 30.351 0.030 . . . . . A 105 GLU CB . 25442 1 1102 . 1 1 105 105 GLU CG C 13 36.500 0.012 . . . . . A 105 GLU CG . 25442 1 1103 . 1 1 105 105 GLU N N 15 121.479 0.056 . . . . . A 105 GLU N . 25442 1 1104 . 1 1 106 106 LEU H H 1 8.154 0.005 . . . . . A 106 LEU H . 25442 1 1105 . 1 1 106 106 LEU HA H 1 4.316 0.003 . . . . . A 106 LEU HA . 25442 1 1106 . 1 1 106 106 LEU HB2 H 1 1.664 0.003 . . . . . A 106 LEU HB2 . 25442 1 1107 . 1 1 106 106 LEU HB3 H 1 1.578 0.003 . . . . . A 106 LEU HB3 . 25442 1 1108 . 1 1 106 106 LEU HG H 1 1.650 0.004 . . . . . A 106 LEU HG . 25442 1 1109 . 1 1 106 106 LEU HD11 H 1 0.906 0.015 . . . . . A 106 LEU HD11 . 25442 1 1110 . 1 1 106 106 LEU HD12 H 1 0.906 0.015 . . . . . A 106 LEU HD12 . 25442 1 1111 . 1 1 106 106 LEU HD13 H 1 0.906 0.015 . . . . . A 106 LEU HD13 . 25442 1 1112 . 1 1 106 106 LEU HD21 H 1 0.869 0.018 . . . . . A 106 LEU HD21 . 25442 1 1113 . 1 1 106 106 LEU HD22 H 1 0.869 0.018 . . . . . A 106 LEU HD22 . 25442 1 1114 . 1 1 106 106 LEU HD23 H 1 0.869 0.018 . . . . . A 106 LEU HD23 . 25442 1 1115 . 1 1 106 106 LEU CA C 13 55.545 0.038 . . . . . A 106 LEU CA . 25442 1 1116 . 1 1 106 106 LEU CB C 13 42.538 0.010 . . . . . A 106 LEU CB . 25442 1 1117 . 1 1 106 106 LEU CG C 13 27.041 0.041 . . . . . A 106 LEU CG . 25442 1 1118 . 1 1 106 106 LEU CD1 C 13 25.174 0.000 . . . . . A 106 LEU CD1 . 25442 1 1119 . 1 1 106 106 LEU CD2 C 13 23.590 0.000 . . . . . A 106 LEU CD2 . 25442 1 1120 . 1 1 106 106 LEU N N 15 122.549 0.018 . . . . . A 106 LEU N . 25442 1 1121 . 1 1 107 107 ASP H H 1 8.273 0.001 . . . . . A 107 ASP H . 25442 1 1122 . 1 1 107 107 ASP HA H 1 4.587 0.015 . . . . . A 107 ASP HA . 25442 1 1123 . 1 1 107 107 ASP HB2 H 1 2.637 0.007 . . . . . A 107 ASP HB2 . 25442 1 1124 . 1 1 107 107 ASP HB3 H 1 2.745 0.000 . . . . . A 107 ASP HB3 . 25442 1 1125 . 1 1 107 107 ASP CA C 13 54.715 0.000 . . . . . A 107 ASP CA . 25442 1 1126 . 1 1 107 107 ASP CB C 13 41.125 0.024 . . . . . A 107 ASP CB . 25442 1 1127 . 1 1 107 107 ASP N N 15 120.656 0.025 . . . . . A 107 ASP N . 25442 1 1128 . 1 1 108 108 ARG H H 1 8.041 0.008 . . . . . A 108 ARG H . 25442 1 1129 . 1 1 108 108 ARG HA H 1 4.272 0.008 . . . . . A 108 ARG HA . 25442 1 1130 . 1 1 108 108 ARG HB2 H 1 1.875 0.007 . . . . . A 108 ARG HB2 . 25442 1 1131 . 1 1 108 108 ARG HB3 H 1 1.798 0.009 . . . . . A 108 ARG HB3 . 25442 1 1132 . 1 1 108 108 ARG HG2 H 1 1.629 0.005 . . . . . A 108 ARG HG2 . 25442 1 1133 . 1 1 108 108 ARG HG3 H 1 1.669 0.002 . . . . . A 108 ARG HG3 . 25442 1 1134 . 1 1 108 108 ARG HD2 H 1 3.205 0.003 . . . . . A 108 ARG HD2 . 25442 1 1135 . 1 1 108 108 ARG HD3 H 1 3.204 0.003 . . . . . A 108 ARG HD3 . 25442 1 1136 . 1 1 108 108 ARG CA C 13 56.778 0.000 . . . . . A 108 ARG CA . 25442 1 1137 . 1 1 108 108 ARG CB C 13 30.835 0.023 . . . . . A 108 ARG CB . 25442 1 1138 . 1 1 108 108 ARG CG C 13 27.467 0.000 . . . . . A 108 ARG CG . 25442 1 1139 . 1 1 108 108 ARG CD C 13 43.461 0.013 . . . . . A 108 ARG CD . 25442 1 1140 . 1 1 108 108 ARG N N 15 120.710 0.029 . . . . . A 108 ARG N . 25442 1 1141 . 1 1 109 109 ASP H H 1 8.331 0.003 . . . . . A 109 ASP H . 25442 1 1142 . 1 1 109 109 ASP HB2 H 1 2.636 0.000 . . . . . A 109 ASP HB2 . 25442 1 1143 . 1 1 109 109 ASP HB3 H 1 2.705 0.000 . . . . . A 109 ASP HB3 . 25442 1 1144 . 1 1 109 109 ASP CA C 13 54.862 0.000 . . . . . A 109 ASP CA . 25442 1 1145 . 1 1 109 109 ASP N N 15 120.647 0.050 . . . . . A 109 ASP N . 25442 1 1146 . 1 1 110 110 ILE H H 1 7.910 0.002 . . . . . A 110 ILE H . 25442 1 1147 . 1 1 110 110 ILE HA H 1 4.140 0.004 . . . . . A 110 ILE HA . 25442 1 1148 . 1 1 110 110 ILE HB H 1 1.927 0.008 . . . . . A 110 ILE HB . 25442 1 1149 . 1 1 110 110 ILE HG12 H 1 1.204 0.008 . . . . . A 110 ILE HG12 . 25442 1 1150 . 1 1 110 110 ILE HG13 H 1 1.473 0.007 . . . . . A 110 ILE HG13 . 25442 1 1151 . 1 1 110 110 ILE HG21 H 1 0.906 0.003 . . . . . A 110 ILE HG21 . 25442 1 1152 . 1 1 110 110 ILE HG22 H 1 0.906 0.003 . . . . . A 110 ILE HG22 . 25442 1 1153 . 1 1 110 110 ILE HG23 H 1 0.906 0.003 . . . . . A 110 ILE HG23 . 25442 1 1154 . 1 1 110 110 ILE HD11 H 1 0.879 0.012 . . . . . A 110 ILE HD11 . 25442 1 1155 . 1 1 110 110 ILE HD12 H 1 0.879 0.012 . . . . . A 110 ILE HD12 . 25442 1 1156 . 1 1 110 110 ILE HD13 H 1 0.879 0.012 . . . . . A 110 ILE HD13 . 25442 1 1157 . 1 1 110 110 ILE CA C 13 61.760 0.040 . . . . . A 110 ILE CA . 25442 1 1158 . 1 1 110 110 ILE CB C 13 38.643 0.042 . . . . . A 110 ILE CB . 25442 1 1159 . 1 1 110 110 ILE CG1 C 13 27.536 0.008 . . . . . A 110 ILE CG1 . 25442 1 1160 . 1 1 110 110 ILE CG2 C 13 17.670 0.008 . . . . . A 110 ILE CG2 . 25442 1 1161 . 1 1 110 110 ILE CD1 C 13 13.034 0.024 . . . . . A 110 ILE CD1 . 25442 1 1162 . 1 1 110 110 ILE N N 15 120.220 0.024 . . . . . A 110 ILE N . 25442 1 1163 . 1 1 111 111 VAL H H 1 8.018 0.007 . . . . . A 111 VAL H . 25442 1 1164 . 1 1 111 111 VAL HA H 1 4.095 0.003 . . . . . A 111 VAL HA . 25442 1 1165 . 1 1 111 111 VAL HB H 1 2.111 0.001 . . . . . A 111 VAL HB . 25442 1 1166 . 1 1 111 111 VAL HG11 H 1 0.960 0.008 . . . . . A 111 VAL HG11 . 25442 1 1167 . 1 1 111 111 VAL HG12 H 1 0.960 0.008 . . . . . A 111 VAL HG12 . 25442 1 1168 . 1 1 111 111 VAL HG13 H 1 0.960 0.008 . . . . . A 111 VAL HG13 . 25442 1 1169 . 1 1 111 111 VAL HG21 H 1 0.961 0.008 . . . . . A 111 VAL HG21 . 25442 1 1170 . 1 1 111 111 VAL HG22 H 1 0.961 0.008 . . . . . A 111 VAL HG22 . 25442 1 1171 . 1 1 111 111 VAL HG23 H 1 0.961 0.008 . . . . . A 111 VAL HG23 . 25442 1 1172 . 1 1 111 111 VAL CA C 13 62.982 0.045 . . . . . A 111 VAL CA . 25442 1 1173 . 1 1 111 111 VAL CB C 13 32.438 0.012 . . . . . A 111 VAL CB . 25442 1 1174 . 1 1 111 111 VAL CG1 C 13 21.194 0.000 . . . . . A 111 VAL CG1 . 25442 1 1175 . 1 1 111 111 VAL CG2 C 13 21.104 0.077 . . . . . A 111 VAL CG2 . 25442 1 1176 . 1 1 111 111 VAL N N 15 122.698 0.023 . . . . . A 111 VAL N . 25442 1 1177 . 1 1 112 112 SER HA H 1 4.439 0.003 . . . . . A 112 SER HA . 25442 1 1178 . 1 1 112 112 SER HB2 H 1 3.887 0.002 . . . . . A 112 SER HB2 . 25442 1 1179 . 1 1 112 112 SER HB3 H 1 3.887 0.002 . . . . . A 112 SER HB3 . 25442 1 1180 . 1 1 112 112 SER CA C 13 58.581 0.000 . . . . . A 112 SER CA . 25442 1 1181 . 1 1 112 112 SER CB C 13 63.717 0.000 . . . . . A 112 SER CB . 25442 1 1182 . 1 1 114 114 ASN HA H 1 4.690 0.001 . . . . . A 114 ASN HA . 25442 1 1183 . 1 1 114 114 ASN HB2 H 1 2.854 0.005 . . . . . A 114 ASN HB2 . 25442 1 1184 . 1 1 114 114 ASN HB3 H 1 2.779 0.009 . . . . . A 114 ASN HB3 . 25442 1 1185 . 1 1 114 114 ASN CA C 13 53.462 0.043 . . . . . A 114 ASN CA . 25442 1 1186 . 1 1 114 114 ASN CB C 13 39.073 0.019 . . . . . A 114 ASN CB . 25442 1 1187 . 1 1 115 115 ASN HA H 1 4.690 0.001 . . . . . A 115 ASN HA . 25442 1 1188 . 1 1 115 115 ASN HB2 H 1 2.854 0.005 . . . . . A 115 ASN HB2 . 25442 1 1189 . 1 1 115 115 ASN HB3 H 1 2.779 0.009 . . . . . A 115 ASN HB3 . 25442 1 1190 . 1 1 115 115 ASN CA C 13 53.476 0.040 . . . . . A 115 ASN CA . 25442 1 1191 . 1 1 115 115 ASN CB C 13 39.073 0.019 . . . . . A 115 ASN CB . 25442 1 1192 . 1 1 116 116 ALA H H 1 8.144 0.005 . . . . . A 116 ALA H . 25442 1 1193 . 1 1 116 116 ALA HA H 1 4.355 0.003 . . . . . A 116 ALA HA . 25442 1 1194 . 1 1 116 116 ALA HB1 H 1 1.402 0.003 . . . . . A 116 ALA HB1 . 25442 1 1195 . 1 1 116 116 ALA HB2 H 1 1.402 0.003 . . . . . A 116 ALA HB2 . 25442 1 1196 . 1 1 116 116 ALA HB3 H 1 1.402 0.003 . . . . . A 116 ALA HB3 . 25442 1 1197 . 1 1 116 116 ALA CA C 13 52.748 0.040 . . . . . A 116 ALA CA . 25442 1 1198 . 1 1 116 116 ALA CB C 13 19.559 0.000 . . . . . A 116 ALA CB . 25442 1 1199 . 1 1 116 116 ALA N N 15 123.691 0.006 . . . . . A 116 ALA N . 25442 1 1200 . 1 1 117 117 GLU H H 1 8.234 0.000 . . . . . A 117 GLU H . 25442 1 1201 . 1 1 117 117 GLU HA H 1 4.284 0.004 . . . . . A 117 GLU HA . 25442 1 1202 . 1 1 117 117 GLU HB2 H 1 1.948 0.000 . . . . . A 117 GLU HB2 . 25442 1 1203 . 1 1 117 117 GLU HB3 H 1 1.948 0.000 . . . . . A 117 GLU HB3 . 25442 1 1204 . 1 1 117 117 GLU HG2 H 1 2.248 0.000 . . . . . A 117 GLU HG2 . 25442 1 1205 . 1 1 117 117 GLU HG3 H 1 2.248 0.000 . . . . . A 117 GLU HG3 . 25442 1 1206 . 1 1 117 117 GLU CA C 13 56.731 0.001 . . . . . A 117 GLU CA . 25442 1 1207 . 1 1 117 117 GLU CB C 13 29.944 0.000 . . . . . A 117 GLU CB . 25442 1 1208 . 1 1 117 117 GLU CG C 13 36.470 0.000 . . . . . A 117 GLU CG . 25442 1 1209 . 1 1 117 117 GLU N N 15 120.174 0.007 . . . . . A 117 GLU N . 25442 1 1210 . 1 1 118 118 LYS H H 1 7.827 0.002 . . . . . A 118 LYS H . 25442 1 1211 . 1 1 118 118 LYS HA H 1 4.162 0.006 . . . . . A 118 LYS HA . 25442 1 1212 . 1 1 118 118 LYS HB2 H 1 1.720 0.002 . . . . . A 118 LYS HB2 . 25442 1 1213 . 1 1 118 118 LYS HB3 H 1 1.827 0.001 . . . . . A 118 LYS HB3 . 25442 1 1214 . 1 1 118 118 LYS HG2 H 1 1.394 0.003 . . . . . A 118 LYS HG2 . 25442 1 1215 . 1 1 118 118 LYS HG3 H 1 1.394 0.003 . . . . . A 118 LYS HG3 . 25442 1 1216 . 1 1 118 118 LYS HD2 H 1 1.680 0.004 . . . . . A 118 LYS HD2 . 25442 1 1217 . 1 1 118 118 LYS HD3 H 1 1.680 0.004 . . . . . A 118 LYS HD3 . 25442 1 1218 . 1 1 118 118 LYS HE2 H 1 3.009 0.004 . . . . . A 118 LYS HE2 . 25442 1 1219 . 1 1 118 118 LYS HE3 H 1 3.009 0.004 . . . . . A 118 LYS HE3 . 25442 1 1220 . 1 1 118 118 LYS CA C 13 57.835 0.038 . . . . . A 118 LYS CA . 25442 1 1221 . 1 1 118 118 LYS CB C 13 33.914 0.040 . . . . . A 118 LYS CB . 25442 1 1222 . 1 1 118 118 LYS CG C 13 25.042 0.000 . . . . . A 118 LYS CG . 25442 1 1223 . 1 1 118 118 LYS CD C 13 29.106 0.016 . . . . . A 118 LYS CD . 25442 1 1224 . 1 1 118 118 LYS CE C 13 42.465 0.002 . . . . . A 118 LYS CE . 25442 1 1225 . 1 1 118 118 LYS N N 15 126.990 0.025 . . . . . A 118 LYS N . 25442 1 1226 . 2 2 1 1 TYR HA H 1 4.631 0.002 . . . . . . 302 TYR HA . 25442 1 1227 . 2 2 1 1 TYR HB2 H 1 3.123 0.000 . . . . . . 302 TYR HB2 . 25442 1 1228 . 2 2 1 1 TYR HB3 H 1 2.915 0.002 . . . . . . 302 TYR HB3 . 25442 1 1229 . 2 2 1 1 TYR HD1 H 1 7.139 0.006 . . . . . . 302 TYR QD . 25442 1 1230 . 2 2 1 1 TYR HD2 H 1 7.139 0.006 . . . . . . 302 TYR QD . 25442 1 1231 . 2 2 1 1 TYR C C 13 175.467 0.000 . . . . . . 302 TYR C . 25442 1 1232 . 2 2 1 1 TYR CA C 13 357.681 0.016 . . . . . . 302 TYR CA . 25442 1 1233 . 2 2 1 1 TYR CB C 13 338.686 0.034 . . . . . . 302 TYR CB . 25442 1 1234 . 2 2 2 2 ASP H H 1 8.132 0.007 . . . . . . 303 ASP HN . 25442 1 1235 . 2 2 2 2 ASP HA H 1 4.567 0.003 . . . . . . 303 ASP HA . 25442 1 1236 . 2 2 2 2 ASP HB2 H 1 2.615 0.005 . . . . . . 303 ASP HB2 . 25442 1 1237 . 2 2 2 2 ASP HB3 H 1 2.615 0.005 . . . . . . 303 ASP HB3 . 25442 1 1238 . 2 2 2 2 ASP C C 13 175.543 0.000 . . . . . . 303 ASP C . 25442 1 1239 . 2 2 2 2 ASP CA C 13 354.531 0.027 . . . . . . 303 ASP CA . 25442 1 1240 . 2 2 2 2 ASP CB C 13 341.273 0.000 . . . . . . 303 ASP CB . 25442 1 1241 . 2 2 2 2 ASP N N 15 421.487 0.032 . . . . . . 303 ASP N . 25442 1 1242 . 2 2 3 3 LYS H H 1 7.843 0.010 . . . . . . 304 LYS HN . 25442 1 1243 . 2 2 3 3 LYS HA H 1 4.632 0.002 . . . . . . 304 LYS HA . 25442 1 1244 . 2 2 3 3 LYS HB2 H 1 1.688 0.004 . . . . . . 304 LYS HB2 . 25442 1 1245 . 2 2 3 3 LYS HB3 H 1 1.814 0.003 . . . . . . 304 LYS HB3 . 25442 1 1246 . 2 2 3 3 LYS HG2 H 1 1.407 0.004 . . . . . . 304 LYS HG2 . 25442 1 1247 . 2 2 3 3 LYS HG3 H 1 1.407 0.004 . . . . . . 304 LYS HG3 . 25442 1 1248 . 2 2 3 3 LYS HE2 H 1 2.967 0.000 . . . . . . 304 LYS HE2 . 25442 1 1249 . 2 2 3 3 LYS HE3 H 1 2.967 0.000 . . . . . . 304 LYS HE3 . 25442 1 1250 . 2 2 3 3 LYS CA C 13 353.984 0.010 . . . . . . 304 LYS CA . 25442 1 1251 . 2 2 3 3 LYS CB C 13 332.988 0.028 . . . . . . 304 LYS CB . 25442 1 1252 . 2 2 3 3 LYS CG C 13 324.616 0.059 . . . . . . 304 LYS CG . 25442 1 1253 . 2 2 3 3 LYS CE C 13 342.313 0.000 . . . . . . 304 LYS CE . 25442 1 1254 . 2 2 3 3 LYS N N 15 421.437 0.049 . . . . . . 304 LYS N . 25442 1 1255 . 2 2 4 4 PRO HA H 1 4.463 0.001 . . . . . . 305 PRO HA . 25442 1 1256 . 2 2 4 4 PRO HB2 H 1 1.907 0.005 . . . . . . 305 PRO HB2 . 25442 1 1257 . 2 2 4 4 PRO HB3 H 1 2.291 0.002 . . . . . . 305 PRO HB3 . 25442 1 1258 . 2 2 4 4 PRO HG2 H 1 2.011 0.002 . . . . . . 305 PRO HG2 . 25442 1 1259 . 2 2 4 4 PRO HG3 H 1 2.039 0.011 . . . . . . 305 PRO HG3 . 25442 1 1260 . 2 2 4 4 PRO HD2 H 1 3.768 0.009 . . . . . . 305 PRO HD2 . 25442 1 1261 . 2 2 4 4 PRO HD3 H 1 3.630 0.011 . . . . . . 305 PRO HD3 . 25442 1 1262 . 2 2 4 4 PRO C C 13 176.386 0.000 . . . . . . 305 PRO C . 25442 1 1263 . 2 2 4 4 PRO CA C 13 363.087 0.051 . . . . . . 305 PRO CA . 25442 1 1264 . 2 2 4 4 PRO CB C 13 332.146 0.029 . . . . . . 305 PRO CB . 25442 1 1265 . 2 2 4 4 PRO CG C 13 327.402 0.025 . . . . . . 305 PRO CG . 25442 1 1266 . 2 2 4 4 PRO CD C 13 350.648 0.050 . . . . . . 305 PRO CD . 25442 1 1267 . 2 2 5 5 ALA H H 1 8.286 0.013 . . . . . . 306 ALA HN . 25442 1 1268 . 2 2 5 5 ALA HA H 1 4.684 0.001 . . . . . . 306 ALA HA . 25442 1 1269 . 2 2 5 5 ALA HB1 H 1 1.234 0.013 . . . . . . 306 ALA QB . 25442 1 1270 . 2 2 5 5 ALA HB2 H 1 1.234 0.013 . . . . . . 306 ALA QB . 25442 1 1271 . 2 2 5 5 ALA HB3 H 1 1.234 0.013 . . . . . . 306 ALA QB . 25442 1 1272 . 2 2 5 5 ALA CA C 13 350.079 0.045 . . . . . . 306 ALA CA . 25442 1 1273 . 2 2 5 5 ALA CB C 13 318.868 0.055 . . . . . . 306 ALA CB . 25442 1 1274 . 2 2 5 5 ALA N N 15 424.918 0.080 . . . . . . 306 ALA N . 25442 1 1275 . 2 2 6 6 PRO HA H 1 4.331 0.007 . . . . . . 307 PRO HA . 25442 1 1276 . 2 2 6 6 PRO HB2 H 1 1.737 0.007 . . . . . . 307 PRO HB2 . 25442 1 1277 . 2 2 6 6 PRO HB3 H 1 2.085 0.009 . . . . . . 307 PRO HB3 . 25442 1 1278 . 2 2 6 6 PRO HG2 H 1 1.641 0.004 . . . . . . 307 PRO HG2 . 25442 1 1279 . 2 2 6 6 PRO HG3 H 1 1.379 0.008 . . . . . . 307 PRO HG3 . 25442 1 1280 . 2 2 6 6 PRO HD2 H 1 3.288 0.009 . . . . . . 307 PRO HD2 . 25442 1 1281 . 2 2 6 6 PRO HD3 H 1 3.785 0.011 . . . . . . 307 PRO HD3 . 25442 1 1282 . 2 2 6 6 PRO C C 13 176.320 0.000 . . . . . . 307 PRO C . 25442 1 1283 . 2 2 6 6 PRO CA C 13 362.665 0.066 . . . . . . 307 PRO CA . 25442 1 1284 . 2 2 6 6 PRO CB C 13 331.831 0.063 . . . . . . 307 PRO CB . 25442 1 1285 . 2 2 6 6 PRO CG C 13 327.195 0.017 . . . . . . 307 PRO CG . 25442 1 1286 . 2 2 6 6 PRO CD C 13 350.145 0.051 . . . . . . 307 PRO CD . 25442 1 1287 . 2 2 7 7 GLU H H 1 8.361 0.013 . . . . . . 308 GLU HN . 25442 1 1288 . 2 2 7 7 GLU HA H 1 4.346 0.011 . . . . . . 308 GLU HA . 25442 1 1289 . 2 2 7 7 GLU HB2 H 1 1.715 0.003 . . . . . . 308 GLU HB2 . 25442 1 1290 . 2 2 7 7 GLU HB3 H 1 1.896 0.004 . . . . . . 308 GLU HB3 . 25442 1 1291 . 2 2 7 7 GLU HG2 H 1 2.151 0.014 . . . . . . 308 GLU HG2 . 25442 1 1292 . 2 2 7 7 GLU HG3 H 1 2.175 0.019 . . . . . . 308 GLU HG3 . 25442 1 1293 . 2 2 7 7 GLU C C 13 176.511 0.000 . . . . . . 308 GLU C . 25442 1 1294 . 2 2 7 7 GLU CA C 13 356.365 0.041 . . . . . . 308 GLU CA . 25442 1 1295 . 2 2 7 7 GLU CB C 13 330.834 0.044 . . . . . . 308 GLU CB . 25442 1 1296 . 2 2 7 7 GLU CG C 13 336.324 0.038 . . . . . . 308 GLU CG . 25442 1 1297 . 2 2 7 7 GLU N N 15 422.043 0.029 . . . . . . 308 GLU N . 25442 1 1298 . 2 2 8 8 ASN H H 1 8.739 0.018 . . . . . . 309 ASN HN . 25442 1 1299 . 2 2 8 8 ASN HA H 1 5.325 0.006 . . . . . . 309 ASN HA . 25442 1 1300 . 2 2 8 8 ASN HB2 H 1 2.787 0.016 . . . . . . 309 ASN HB2 . 25442 1 1301 . 2 2 8 8 ASN HB3 H 1 2.787 0.016 . . . . . . 309 ASN HB3 . 25442 1 1302 . 2 2 8 8 ASN C C 13 177.246 0.000 . . . . . . 309 ASN C . 25442 1 1303 . 2 2 8 8 ASN CA C 13 352.277 0.070 . . . . . . 309 ASN CA . 25442 1 1304 . 2 2 8 8 ASN CB C 13 342.798 0.008 . . . . . . 309 ASN CB . 25442 1 1305 . 2 2 8 8 ASN N N 15 415.308 0.044 . . . . . . 309 ASN N . 25442 1 1306 . 2 2 9 9 ARG H H 1 9.857 0.018 . . . . . . 310 ARG HN . 25442 1 1307 . 2 2 9 9 ARG HA H 1 3.644 0.005 . . . . . . 310 ARG HA . 25442 1 1308 . 2 2 9 9 ARG HB2 H 1 0.351 0.000 . . . . . . 310 ARG HB2 . 25442 1 1309 . 2 2 9 9 ARG HB3 H 1 0.221 0.016 . . . . . . 310 ARG HB3 . 25442 1 1310 . 2 2 9 9 ARG HG2 H 1 -0.080 0.000 . . . . . . 310 ARG HG2 . 25442 1 1311 . 2 2 9 9 ARG HG3 H 1 -0.405 0.000 . . . . . . 310 ARG HG3 . 25442 1 1312 . 2 2 9 9 ARG HD2 H 1 1.992 0.007 . . . . . . 310 ARG HD2 . 25442 1 1313 . 2 2 9 9 ARG HD3 H 1 1.026 0.016 . . . . . . 310 ARG HD3 . 25442 1 1314 . 2 2 9 9 ARG C C 13 175.728 0.000 . . . . . . 310 ARG C . 25442 1 1315 . 2 2 9 9 ARG CA C 13 358.124 0.075 . . . . . . 310 ARG CA . 25442 1 1316 . 2 2 9 9 ARG CD C 13 342.623 0.026 . . . . . . 310 ARG CD . 25442 1 1317 . 2 2 9 9 ARG N N 15 419.972 0.040 . . . . . . 310 ARG N . 25442 1 1318 . 2 2 10 10 PHE H H 1 7.471 0.007 . . . . . . 311 PHE HN . 25442 1 1319 . 2 2 10 10 PHE HA H 1 4.993 0.011 . . . . . . 311 PHE HA . 25442 1 1320 . 2 2 10 10 PHE HB2 H 1 3.023 0.019 . . . . . . 311 PHE HB2 . 25442 1 1321 . 2 2 10 10 PHE HB3 H 1 3.398 0.007 . . . . . . 311 PHE HB3 . 25442 1 1322 . 2 2 10 10 PHE HD1 H 1 7.036 0.012 . . . . . . 311 PHE QD . 25442 1 1323 . 2 2 10 10 PHE HD2 H 1 7.036 0.012 . . . . . . 311 PHE QD . 25442 1 1324 . 2 2 10 10 PHE HE1 H 1 7.160 0.004 . . . . . . 311 PHE QE . 25442 1 1325 . 2 2 10 10 PHE HE2 H 1 7.160 0.004 . . . . . . 311 PHE QE . 25442 1 1326 . 2 2 10 10 PHE HZ H 1 7.215 0.003 . . . . . . 311 PHE HZ . 25442 1 1327 . 2 2 10 10 PHE C C 13 173.948 0.000 . . . . . . 311 PHE C . 25442 1 1328 . 2 2 10 10 PHE CA C 13 356.346 0.059 . . . . . . 311 PHE CA . 25442 1 1329 . 2 2 10 10 PHE CB C 13 341.700 0.040 . . . . . . 311 PHE CB . 25442 1 1330 . 2 2 10 10 PHE CD1 C 13 131.485 0.032 . . . . . . 311 PHE CD1 . 25442 1 1331 . 2 2 10 10 PHE CD2 C 13 131.485 0.032 . . . . . . 311 PHE CD2 . 25442 1 1332 . 2 2 10 10 PHE CE1 C 13 131.738 0.041 . . . . . . 311 PHE CE1 . 25442 1 1333 . 2 2 10 10 PHE CE2 C 13 131.738 0.041 . . . . . . 311 PHE CE2 . 25442 1 1334 . 2 2 10 10 PHE N N 15 417.477 0.050 . . . . . . 311 PHE N . 25442 1 1335 . 2 2 11 11 ALA H H 1 7.867 0.009 . . . . . . 312 ALA HN . 25442 1 1336 . 2 2 11 11 ALA HA H 1 4.233 0.008 . . . . . . 312 ALA HA . 25442 1 1337 . 2 2 11 11 ALA HB1 H 1 1.488 0.005 . . . . . . 312 ALA QB . 25442 1 1338 . 2 2 11 11 ALA HB2 H 1 1.488 0.005 . . . . . . 312 ALA QB . 25442 1 1339 . 2 2 11 11 ALA HB3 H 1 1.488 0.005 . . . . . . 312 ALA QB . 25442 1 1340 . 2 2 11 11 ALA C C 13 176.616 0.000 . . . . . . 312 ALA C . 25442 1 1341 . 2 2 11 11 ALA CA C 13 353.052 0.058 . . . . . . 312 ALA CA . 25442 1 1342 . 2 2 11 11 ALA CB C 13 316.774 0.029 . . . . . . 312 ALA CB . 25442 1 1343 . 2 2 11 11 ALA N N 15 422.649 0.028 . . . . . . 312 ALA N . 25442 1 1344 . 2 2 12 12 ILE H H 1 8.108 0.009 . . . . . . 313 ILE HN . 25442 1 1345 . 2 2 12 12 ILE HA H 1 3.977 0.008 . . . . . . 313 ILE HA . 25442 1 1346 . 2 2 12 12 ILE HB H 1 1.320 0.008 . . . . . . 313 ILE HB . 25442 1 1347 . 2 2 12 12 ILE HG12 H 1 1.623 0.003 . . . . . . 313 ILE HG12 . 25442 1 1348 . 2 2 12 12 ILE HG13 H 1 0.924 0.006 . . . . . . 313 ILE HG13 . 25442 1 1349 . 2 2 12 12 ILE HG21 H 1 0.780 0.008 . . . . . . 313 ILE QG2 . 25442 1 1350 . 2 2 12 12 ILE HG22 H 1 0.780 0.008 . . . . . . 313 ILE QG2 . 25442 1 1351 . 2 2 12 12 ILE HG23 H 1 0.780 0.008 . . . . . . 313 ILE QG2 . 25442 1 1352 . 2 2 12 12 ILE HD11 H 1 0.633 0.007 . . . . . . 313 ILE QD1 . 25442 1 1353 . 2 2 12 12 ILE HD12 H 1 0.633 0.007 . . . . . . 313 ILE QD1 . 25442 1 1354 . 2 2 12 12 ILE HD13 H 1 0.633 0.007 . . . . . . 313 ILE QD1 . 25442 1 1355 . 2 2 12 12 ILE C C 13 177.029 0.000 . . . . . . 313 ILE C . 25442 1 1356 . 2 2 12 12 ILE CA C 13 362.184 0.062 . . . . . . 313 ILE CA . 25442 1 1357 . 2 2 12 12 ILE CB C 13 339.785 0.036 . . . . . . 313 ILE CB . 25442 1 1358 . 2 2 12 12 ILE CG1 C 13 329.288 0.053 . . . . . . 313 ILE CG1 . 25442 1 1359 . 2 2 12 12 ILE CG2 C 13 317.526 0.058 . . . . . . 313 ILE CG2 . 25442 1 1360 . 2 2 12 12 ILE CD1 C 13 314.600 0.062 . . . . . . 313 ILE CD1 . 25442 1 1361 . 2 2 12 12 ILE N N 15 419.567 0.062 . . . . . . 313 ILE N . 25442 1 1362 . 2 2 13 13 MET H H 1 8.452 0.012 . . . . . . 314 MET HN . 25442 1 1363 . 2 2 13 13 MET HB2 H 1 2.030 0.012 . . . . . . 314 MET HB2 . 25442 1 1364 . 2 2 13 13 MET HB3 H 1 1.946 0.010 . . . . . . 314 MET HB3 . 25442 1 1365 . 2 2 13 13 MET HG2 H 1 2.611 0.015 . . . . . . 314 MET HG2 . 25442 1 1366 . 2 2 13 13 MET HG3 H 1 2.834 0.009 . . . . . . 314 MET HG3 . 25442 1 1367 . 2 2 13 13 MET HE1 H 1 2.122 0.005 . . . . . . 314 MET QE . 25442 1 1368 . 2 2 13 13 MET HE2 H 1 2.122 0.005 . . . . . . 314 MET QE . 25442 1 1369 . 2 2 13 13 MET HE3 H 1 2.122 0.005 . . . . . . 314 MET QE . 25442 1 1370 . 2 2 13 13 MET CB C 13 332.173 0.072 . . . . . . 314 MET CB . 25442 1 1371 . 2 2 13 13 MET CG C 13 332.686 0.084 . . . . . . 314 MET CG . 25442 1 1372 . 2 2 13 13 MET CE C 13 317.645 0.039 . . . . . . 314 MET CE . 25442 1 1373 . 2 2 13 13 MET N N 15 428.252 0.084 . . . . . . 314 MET N . 25442 1 1374 . 2 2 14 14 PRO HA H 1 4.144 0.008 . . . . . . 315 PRO HA . 25442 1 1375 . 2 2 14 14 PRO HB2 H 1 2.057 0.005 . . . . . . 315 PRO HB2 . 25442 1 1376 . 2 2 14 14 PRO HB3 H 1 1.906 0.007 . . . . . . 315 PRO HB3 . 25442 1 1377 . 2 2 14 14 PRO HG2 H 1 1.937 0.017 . . . . . . 315 PRO HG2 . 25442 1 1378 . 2 2 14 14 PRO HG3 H 1 1.758 0.022 . . . . . . 315 PRO HG3 . 25442 1 1379 . 2 2 14 14 PRO HD2 H 1 3.769 0.006 . . . . . . 315 PRO HD2 . 25442 1 1380 . 2 2 14 14 PRO HD3 H 1 3.602 0.009 . . . . . . 315 PRO HD3 . 25442 1 1381 . 2 2 14 14 PRO C C 13 178.222 0.000 . . . . . . 315 PRO C . 25442 1 1382 . 2 2 14 14 PRO CA C 13 362.816 0.031 . . . . . . 315 PRO CA . 25442 1 1383 . 2 2 14 14 PRO CB C 13 333.586 0.069 . . . . . . 315 PRO CB . 25442 1 1384 . 2 2 14 14 PRO CG C 13 327.324 0.049 . . . . . . 315 PRO CG . 25442 1 1385 . 2 2 15 15 GLY H H 1 8.948 0.009 . . . . . . 316 GLY HN . 25442 1 1386 . 2 2 15 15 GLY HA2 H 1 4.105 0.000 . . . . . . 316 GLY HA2 . 25442 1 1387 . 2 2 15 15 GLY HA3 H 1 4.146 0.000 . . . . . . 316 GLY HA3 . 25442 1 1388 . 2 2 15 15 GLY C C 13 176.107 0.000 . . . . . . 316 GLY C . 25442 1 1389 . 2 2 15 15 GLY N N 15 409.109 0.040 . . . . . . 316 GLY N . 25442 1 1390 . 2 2 16 16 SER H H 1 8.686 0.012 . . . . . . 317 SER HN . 25442 1 1391 . 2 2 16 16 SER HA H 1 4.266 0.006 . . . . . . 317 SER HA . 25442 1 1392 . 2 2 16 16 SER HB2 H 1 4.017 0.004 . . . . . . 317 SER HB2 . 25442 1 1393 . 2 2 16 16 SER HB3 H 1 4.017 0.004 . . . . . . 317 SER HB3 . 25442 1 1394 . 2 2 16 16 SER C C 13 176.058 0.000 . . . . . . 317 SER C . 25442 1 1395 . 2 2 16 16 SER CA C 13 361.278 0.075 . . . . . . 317 SER CA . 25442 1 1396 . 2 2 16 16 SER CB C 13 363.618 0.056 . . . . . . 317 SER CB . 25442 1 1397 . 2 2 16 16 SER N N 15 416.964 0.050 . . . . . . 317 SER N . 25442 1 1398 . 2 2 17 17 ARG H H 1 8.933 0.009 . . . . . . 318 ARG HN . 25442 1 1399 . 2 2 17 17 ARG HA H 1 4.402 0.006 . . . . . . 318 ARG HA . 25442 1 1400 . 2 2 17 17 ARG HB2 H 1 1.999 0.004 . . . . . . 318 ARG HB2 . 25442 1 1401 . 2 2 17 17 ARG HB3 H 1 1.763 0.010 . . . . . . 318 ARG HB3 . 25442 1 1402 . 2 2 17 17 ARG HG2 H 1 1.711 0.003 . . . . . . 318 ARG HG2 . 25442 1 1403 . 2 2 17 17 ARG HG3 H 1 1.749 0.004 . . . . . . 318 ARG HG3 . 25442 1 1404 . 2 2 17 17 ARG HD2 H 1 3.165 0.003 . . . . . . 318 ARG HD2 . 25442 1 1405 . 2 2 17 17 ARG HD3 H 1 3.214 0.004 . . . . . . 318 ARG HD3 . 25442 1 1406 . 2 2 17 17 ARG C C 13 176.651 0.000 . . . . . . 318 ARG C . 25442 1 1407 . 2 2 17 17 ARG CA C 13 355.450 0.008 . . . . . . 318 ARG CA . 25442 1 1408 . 2 2 17 17 ARG CB C 13 329.120 0.057 . . . . . . 318 ARG CB . 25442 1 1409 . 2 2 17 17 ARG CG C 13 327.430 0.021 . . . . . . 318 ARG CG . 25442 1 1410 . 2 2 17 17 ARG CD C 13 342.642 0.023 . . . . . . 318 ARG CD . 25442 1 1411 . 2 2 17 17 ARG N N 15 418.302 0.053 . . . . . . 318 ARG N . 25442 1 1412 . 2 2 18 18 TRP H H 1 7.611 0.007 . . . . . . 319 TRP HN . 25442 1 1413 . 2 2 18 18 TRP HA H 1 5.289 0.036 . . . . . . 319 TRP HA . 25442 1 1414 . 2 2 18 18 TRP HB2 H 1 3.407 0.012 . . . . . . 319 TRP HB2 . 25442 1 1415 . 2 2 18 18 TRP HB3 H 1 2.801 0.031 . . . . . . 319 TRP HB3 . 25442 1 1416 . 2 2 18 18 TRP HD1 H 1 8.000 0.003 . . . . . . 319 TRP HD1 . 25442 1 1417 . 2 2 18 18 TRP HE1 H 1 10.341 0.000 . . . . . . 319 TRP HE1 . 25442 1 1418 . 2 2 18 18 TRP HE3 H 1 7.496 0.007 . . . . . . 319 TRP HE3 . 25442 1 1419 . 2 2 18 18 TRP HZ2 H 1 6.721 0.012 . . . . . . 319 TRP HZ2 . 25442 1 1420 . 2 2 18 18 TRP HZ3 H 1 7.120 0.008 . . . . . . 319 TRP HZ3 . 25442 1 1421 . 2 2 18 18 TRP HH2 H 1 7.051 0.007 . . . . . . 319 TRP HH2 . 25442 1 1422 . 2 2 18 18 TRP C C 13 175.985 0.000 . . . . . . 319 TRP C . 25442 1 1423 . 2 2 18 18 TRP CA C 13 357.804 0.051 . . . . . . 319 TRP CA . 25442 1 1424 . 2 2 18 18 TRP CB C 13 328.163 0.077 . . . . . . 319 TRP CB . 25442 1 1425 . 2 2 18 18 TRP CD1 C 13 127.054 0.054 . . . . . . 319 TRP CD1 . 25442 1 1426 . 2 2 18 18 TRP CE3 C 13 121.036 0.032 . . . . . . 319 TRP CE3 . 25442 1 1427 . 2 2 18 18 TRP CZ2 C 13 114.109 0.037 . . . . . . 319 TRP CZ2 . 25442 1 1428 . 2 2 18 18 TRP CZ3 C 13 123.195 0.082 . . . . . . 319 TRP CZ3 . 25442 1 1429 . 2 2 18 18 TRP CH2 C 13 125.550 0.032 . . . . . . 319 TRP CH2 . 25442 1 1430 . 2 2 18 18 TRP N N 15 419.286 0.058 . . . . . . 319 TRP N . 25442 1 1431 . 2 2 18 18 TRP NE1 N 15 435.960 0.000 . . . . . . 319 TRP NE1 . 25442 1 1432 . 2 2 19 19 ASP H H 1 7.560 0.009 . . . . . . 320 ASP HN . 25442 1 1433 . 2 2 19 19 ASP HA H 1 4.281 0.003 . . . . . . 320 ASP HA . 25442 1 1434 . 2 2 19 19 ASP HB2 H 1 2.883 0.003 . . . . . . 320 ASP HB2 . 25442 1 1435 . 2 2 19 19 ASP HB3 H 1 2.559 0.005 . . . . . . 320 ASP HB3 . 25442 1 1436 . 2 2 19 19 ASP CA C 13 353.538 0.040 . . . . . . 320 ASP CA . 25442 1 1437 . 2 2 19 19 ASP CB C 13 340.189 0.029 . . . . . . 320 ASP CB . 25442 1 1438 . 2 2 19 19 ASP N N 15 428.093 0.067 . . . . . . 320 ASP N . 25442 1 1439 . 2 2 20 20 GLY H H 1 4.577 0.008 . . . . . . 321 GLY HN . 25442 1 1440 . 2 2 20 20 GLY HA2 H 1 0.596 0.017 . . . . . . 321 GLY HA2 . 25442 1 1441 . 2 2 20 20 GLY HA3 H 1 3.148 0.010 . . . . . . 321 GLY HA3 . 25442 1 1442 . 2 2 20 20 GLY CA C 13 344.168 0.025 . . . . . . 321 GLY CA . 25442 1 1443 . 2 2 21 21 VAL H H 1 6.833 0.004 . . . . . . 322 VAL HN . 25442 1 1444 . 2 2 21 21 VAL HA H 1 3.849 0.009 . . . . . . 322 VAL HA . 25442 1 1445 . 2 2 21 21 VAL HB H 1 2.139 0.001 . . . . . . 322 VAL HB . 25442 1 1446 . 2 2 21 21 VAL HG11 H 1 0.632 0.004 . . . . . . 322 VAL QG1 . 25442 1 1447 . 2 2 21 21 VAL HG12 H 1 0.632 0.004 . . . . . . 322 VAL QG1 . 25442 1 1448 . 2 2 21 21 VAL HG13 H 1 0.632 0.004 . . . . . . 322 VAL QG1 . 25442 1 1449 . 2 2 21 21 VAL HG21 H 1 0.837 0.004 . . . . . . 322 VAL QG2 . 25442 1 1450 . 2 2 21 21 VAL HG22 H 1 0.837 0.004 . . . . . . 322 VAL QG2 . 25442 1 1451 . 2 2 21 21 VAL HG23 H 1 0.837 0.004 . . . . . . 322 VAL QG2 . 25442 1 1452 . 2 2 21 21 VAL C C 13 174.900 0.000 . . . . . . 322 VAL C . 25442 1 1453 . 2 2 21 21 VAL CA C 13 362.057 0.062 . . . . . . 322 VAL CA . 25442 1 1454 . 2 2 21 21 VAL CB C 13 331.747 0.012 . . . . . . 322 VAL CB . 25442 1 1455 . 2 2 21 21 VAL CG1 C 13 321.185 0.037 . . . . . . 322 VAL CG1 . 25442 1 1456 . 2 2 21 21 VAL CG2 C 13 320.420 0.060 . . . . . . 322 VAL CG2 . 25442 1 1457 . 2 2 21 21 VAL N N 15 422.053 0.052 . . . . . . 322 VAL N . 25442 1 1458 . 2 2 22 22 HIS H H 1 8.725 0.009 . . . . . . 323 HIS HN . 25442 1 1459 . 2 2 22 22 HIS HA H 1 5.351 0.003 . . . . . . 323 HIS HA . 25442 1 1460 . 2 2 22 22 HIS HB2 H 1 3.349 0.010 . . . . . . 323 HIS HB2 . 25442 1 1461 . 2 2 22 22 HIS HB3 H 1 3.230 0.007 . . . . . . 323 HIS HB3 . 25442 1 1462 . 2 2 22 22 HIS HD2 H 1 7.345 0.014 . . . . . . 323 HIS HD2 . 25442 1 1463 . 2 2 22 22 HIS HE1 H 1 8.691 0.005 . . . . . . 323 HIS HE1 . 25442 1 1464 . 2 2 22 22 HIS CA C 13 355.084 0.022 . . . . . . 323 HIS CA . 25442 1 1465 . 2 2 22 22 HIS CB C 13 329.046 0.065 . . . . . . 323 HIS CB . 25442 1 1466 . 2 2 22 22 HIS CD2 C 13 121.252 0.021 . . . . . . 323 HIS CD2 . 25442 1 1467 . 2 2 22 22 HIS CE1 C 13 137.638 0.066 . . . . . . 323 HIS CE1 . 25442 1 1468 . 2 2 22 22 HIS N N 15 427.146 0.084 . . . . . . 323 HIS N . 25442 1 1469 . 2 2 23 23 ARG H H 1 10.703 0.015 . . . . . . 324 ARG HN . 25442 1 1470 . 2 2 23 23 ARG HA H 1 4.028 0.005 . . . . . . 324 ARG HA . 25442 1 1471 . 2 2 23 23 ARG HB2 H 1 1.571 0.000 . . . . . . 324 ARG HB2 . 25442 1 1472 . 2 2 23 23 ARG HB3 H 1 0.013 0.000 . . . . . . 324 ARG HB3 . 25442 1 1473 . 2 2 23 23 ARG HG2 H 1 1.225 0.017 . . . . . . 324 ARG HG2 . 25442 1 1474 . 2 2 23 23 ARG HG3 H 1 1.848 0.008 . . . . . . 324 ARG HG3 . 25442 1 1475 . 2 2 23 23 ARG C C 13 172.956 0.000 . . . . . . 324 ARG C . 25442 1 1476 . 2 2 23 23 ARG CA C 13 354.964 0.066 . . . . . . 324 ARG CA . 25442 1 1477 . 2 2 23 23 ARG CG C 13 328.290 0.007 . . . . . . 324 ARG CG . 25442 1 1478 . 2 2 23 23 ARG N N 15 433.808 0.084 . . . . . . 324 ARG N . 25442 1 1479 . 2 2 24 24 SER H H 1 7.738 0.013 . . . . . . 325 SER HN . 25442 1 1480 . 2 2 24 24 SER HA H 1 4.384 0.001 . . . . . . 325 SER HA . 25442 1 1481 . 2 2 24 24 SER HB2 H 1 4.051 0.009 . . . . . . 325 SER HB2 . 25442 1 1482 . 2 2 24 24 SER HB3 H 1 3.165 0.015 . . . . . . 325 SER HB3 . 25442 1 1483 . 2 2 24 24 SER C C 13 173.472 0.000 . . . . . . 325 SER C . 25442 1 1484 . 2 2 24 24 SER CA C 13 356.122 0.044 . . . . . . 325 SER CA . 25442 1 1485 . 2 2 24 24 SER CB C 13 365.087 0.068 . . . . . . 325 SER CB . 25442 1 1486 . 2 2 24 24 SER N N 15 415.692 0.049 . . . . . . 325 SER N . 25442 1 1487 . 2 2 25 25 ASN H H 1 9.462 0.009 . . . . . . 326 ASN HN . 25442 1 1488 . 2 2 25 25 ASN HA H 1 4.860 0.008 . . . . . . 326 ASN HA . 25442 1 1489 . 2 2 25 25 ASN HB2 H 1 3.521 0.007 . . . . . . 326 ASN HB2 . 25442 1 1490 . 2 2 25 25 ASN HB3 H 1 2.605 0.009 . . . . . . 326 ASN HB3 . 25442 1 1491 . 2 2 25 25 ASN C C 13 176.493 0.000 . . . . . . 326 ASN C . 25442 1 1492 . 2 2 25 25 ASN CA C 13 353.834 0.064 . . . . . . 326 ASN CA . 25442 1 1493 . 2 2 25 25 ASN CB C 13 338.383 0.076 . . . . . . 326 ASN CB . 25442 1 1494 . 2 2 25 25 ASN N N 15 426.314 0.062 . . . . . . 326 ASN N . 25442 1 1495 . 2 2 26 26 GLY H H 1 9.424 0.009 . . . . . . 327 GLY HN . 25442 1 1496 . 2 2 26 26 GLY HA2 H 1 4.621 0.001 . . . . . . 327 GLY HA2 . 25442 1 1497 . 2 2 26 26 GLY HA3 H 1 3.894 0.008 . . . . . . 327 GLY HA3 . 25442 1 1498 . 2 2 26 26 GLY C C 13 176.069 0.000 . . . . . . 327 GLY C . 25442 1 1499 . 2 2 26 26 GLY CA C 13 344.994 0.048 . . . . . . 327 GLY CA . 25442 1 1500 . 2 2 26 26 GLY N N 15 408.559 0.049 . . . . . . 327 GLY N . 25442 1 1501 . 2 2 27 27 PHE H H 1 8.755 0.010 . . . . . . 328 PHE HN . 25442 1 1502 . 2 2 27 27 PHE HA H 1 3.826 0.007 . . . . . . 328 PHE HA . 25442 1 1503 . 2 2 27 27 PHE HB2 H 1 3.580 0.012 . . . . . . 328 PHE HB2 . 25442 1 1504 . 2 2 27 27 PHE HB3 H 1 2.687 0.014 . . . . . . 328 PHE HB3 . 25442 1 1505 . 2 2 27 27 PHE HD1 H 1 7.186 0.017 . . . . . . 328 PHE QD . 25442 1 1506 . 2 2 27 27 PHE HD2 H 1 7.186 0.017 . . . . . . 328 PHE QD . 25442 1 1507 . 2 2 27 27 PHE C C 13 178.329 0.000 . . . . . . 328 PHE C . 25442 1 1508 . 2 2 27 27 PHE CA C 13 363.618 0.061 . . . . . . 328 PHE CA . 25442 1 1509 . 2 2 27 27 PHE CB C 13 339.826 0.067 . . . . . . 328 PHE CB . 25442 1 1510 . 2 2 27 27 PHE CD1 C 13 132.589 0.053 . . . . . . 328 PHE CD1 . 25442 1 1511 . 2 2 27 27 PHE CD2 C 13 132.589 0.053 . . . . . . 328 PHE CD2 . 25442 1 1512 . 2 2 27 27 PHE N N 15 422.843 0.110 . . . . . . 328 PHE N . 25442 1 1513 . 2 2 28 28 GLU H H 1 8.652 0.010 . . . . . . 329 GLU HN . 25442 1 1514 . 2 2 28 28 GLU HA H 1 4.016 0.007 . . . . . . 329 GLU HA . 25442 1 1515 . 2 2 28 28 GLU HB2 H 1 2.762 0.007 . . . . . . 329 GLU HB2 . 25442 1 1516 . 2 2 28 28 GLU HB3 H 1 2.226 0.002 . . . . . . 329 GLU HB3 . 25442 1 1517 . 2 2 28 28 GLU C C 13 179.236 0.000 . . . . . . 329 GLU C . 25442 1 1518 . 2 2 28 28 GLU CA C 13 360.826 0.060 . . . . . . 329 GLU CA . 25442 1 1519 . 2 2 28 28 GLU CB C 13 329.690 0.042 . . . . . . 329 GLU CB . 25442 1 1520 . 2 2 28 28 GLU N N 15 421.565 0.049 . . . . . . 329 GLU N . 25442 1 1521 . 2 2 29 29 GLU H H 1 8.426 0.013 . . . . . . 330 GLU HN . 25442 1 1522 . 2 2 29 29 GLU HA H 1 4.260 0.005 . . . . . . 330 GLU HA . 25442 1 1523 . 2 2 29 29 GLU HB2 H 1 2.197 0.011 . . . . . . 330 GLU HB2 . 25442 1 1524 . 2 2 29 29 GLU HB3 H 1 2.152 0.007 . . . . . . 330 GLU HB3 . 25442 1 1525 . 2 2 29 29 GLU HG2 H 1 2.424 0.010 . . . . . . 330 GLU HG2 . 25442 1 1526 . 2 2 29 29 GLU HG3 H 1 2.472 0.006 . . . . . . 330 GLU HG3 . 25442 1 1527 . 2 2 29 29 GLU C C 13 180.118 0.000 . . . . . . 330 GLU C . 25442 1 1528 . 2 2 29 29 GLU CA C 13 359.963 0.068 . . . . . . 330 GLU CA . 25442 1 1529 . 2 2 29 29 GLU CB C 13 329.899 0.067 . . . . . . 330 GLU CB . 25442 1 1530 . 2 2 29 29 GLU CG C 13 337.230 0.033 . . . . . . 330 GLU CG . 25442 1 1531 . 2 2 29 29 GLU N N 15 416.359 0.036 . . . . . . 330 GLU N . 25442 1 1532 . 2 2 30 30 LYS H H 1 7.782 0.010 . . . . . . 331 LYS HN . 25442 1 1533 . 2 2 30 30 LYS HA H 1 4.045 0.003 . . . . . . 331 LYS HA . 25442 1 1534 . 2 2 30 30 LYS HB2 H 1 1.766 0.005 . . . . . . 331 LYS HB2 . 25442 1 1535 . 2 2 30 30 LYS HB3 H 1 1.676 0.004 . . . . . . 331 LYS HB3 . 25442 1 1536 . 2 2 30 30 LYS HG2 H 1 1.307 0.005 . . . . . . 331 LYS HG2 . 25442 1 1537 . 2 2 30 30 LYS HG3 H 1 1.502 0.006 . . . . . . 331 LYS HG3 . 25442 1 1538 . 2 2 30 30 LYS HD2 H 1 1.556 0.007 . . . . . . 331 LYS HD2 . 25442 1 1539 . 2 2 30 30 LYS HD3 H 1 1.607 0.002 . . . . . . 331 LYS HD3 . 25442 1 1540 . 2 2 30 30 LYS HE2 H 1 2.915 0.005 . . . . . . 331 LYS HE2 . 25442 1 1541 . 2 2 30 30 LYS HE3 H 1 2.915 0.005 . . . . . . 331 LYS HE3 . 25442 1 1542 . 2 2 30 30 LYS C C 13 178.497 0.000 . . . . . . 331 LYS C . 25442 1 1543 . 2 2 30 30 LYS CA C 13 359.222 0.081 . . . . . . 331 LYS CA . 25442 1 1544 . 2 2 30 30 LYS CB C 13 332.041 0.058 . . . . . . 331 LYS CB . 25442 1 1545 . 2 2 30 30 LYS CG C 13 325.487 0.065 . . . . . . 331 LYS CG . 25442 1 1546 . 2 2 30 30 LYS CD C 13 329.284 0.062 . . . . . . 331 LYS CD . 25442 1 1547 . 2 2 30 30 LYS CE C 13 342.334 0.081 . . . . . . 331 LYS CE . 25442 1 1548 . 2 2 30 30 LYS N N 15 420.458 0.041 . . . . . . 331 LYS N . 25442 1 1549 . 2 2 31 31 TRP H H 1 8.516 0.012 . . . . . . 332 TRP HN . 25442 1 1550 . 2 2 31 31 TRP HA H 1 3.749 0.009 . . . . . . 332 TRP HA . 25442 1 1551 . 2 2 31 31 TRP HB2 H 1 3.437 0.008 . . . . . . 332 TRP HB2 . 25442 1 1552 . 2 2 31 31 TRP HB3 H 1 2.755 0.012 . . . . . . 332 TRP HB3 . 25442 1 1553 . 2 2 31 31 TRP HD1 H 1 6.776 0.006 . . . . . . 332 TRP HD1 . 25442 1 1554 . 2 2 31 31 TRP HE1 H 1 9.903 0.012 . . . . . . 332 TRP HE1 . 25442 1 1555 . 2 2 31 31 TRP HE3 H 1 6.622 0.006 . . . . . . 332 TRP HE3 . 25442 1 1556 . 2 2 31 31 TRP HZ2 H 1 7.271 0.007 . . . . . . 332 TRP HZ2 . 25442 1 1557 . 2 2 31 31 TRP HZ3 H 1 6.639 0.006 . . . . . . 332 TRP HZ3 . 25442 1 1558 . 2 2 31 31 TRP HH2 H 1 7.039 0.011 . . . . . . 332 TRP HH2 . 25442 1 1559 . 2 2 31 31 TRP C C 13 179.408 0.000 . . . . . . 332 TRP C . 25442 1 1560 . 2 2 31 31 TRP CA C 13 362.099 0.094 . . . . . . 332 TRP CA . 25442 1 1561 . 2 2 31 31 TRP CB C 13 328.795 0.053 . . . . . . 332 TRP CB . 25442 1 1562 . 2 2 31 31 TRP CD1 C 13 126.342 0.022 . . . . . . 332 TRP CD1 . 25442 1 1563 . 2 2 31 31 TRP CE3 C 13 120.704 0.073 . . . . . . 332 TRP CE3 . 25442 1 1564 . 2 2 31 31 TRP CZ2 C 13 114.225 0.034 . . . . . . 332 TRP CZ2 . 25442 1 1565 . 2 2 31 31 TRP CZ3 C 13 122.082 0.025 . . . . . . 332 TRP CZ3 . 25442 1 1566 . 2 2 31 31 TRP CH2 C 13 124.464 0.046 . . . . . . 332 TRP CH2 . 25442 1 1567 . 2 2 31 31 TRP N N 15 423.160 0.070 . . . . . . 332 TRP N . 25442 1 1568 . 2 2 31 31 TRP NE1 N 15 428.542 0.096 . . . . . . 332 TRP NE1 . 25442 1 1569 . 2 2 32 32 PHE H H 1 8.493 0.011 . . . . . . 333 PHE HN . 25442 1 1570 . 2 2 32 32 PHE HA H 1 4.119 0.007 . . . . . . 333 PHE HA . 25442 1 1571 . 2 2 32 32 PHE HB2 H 1 3.239 0.008 . . . . . . 333 PHE HB2 . 25442 1 1572 . 2 2 32 32 PHE HB3 H 1 3.087 0.010 . . . . . . 333 PHE HB3 . 25442 1 1573 . 2 2 32 32 PHE HD1 H 1 7.557 0.006 . . . . . . 333 PHE QD . 25442 1 1574 . 2 2 32 32 PHE HD2 H 1 7.557 0.006 . . . . . . 333 PHE QD . 25442 1 1575 . 2 2 32 32 PHE HE1 H 1 7.316 0.005 . . . . . . 333 PHE QE . 25442 1 1576 . 2 2 32 32 PHE HE2 H 1 7.316 0.005 . . . . . . 333 PHE QE . 25442 1 1577 . 2 2 32 32 PHE HZ H 1 6.871 0.004 . . . . . . 333 PHE HZ . 25442 1 1578 . 2 2 32 32 PHE C C 13 178.327 0.000 . . . . . . 333 PHE C . 25442 1 1579 . 2 2 32 32 PHE CA C 13 362.090 0.077 . . . . . . 333 PHE CA . 25442 1 1580 . 2 2 32 32 PHE CB C 13 339.305 0.053 . . . . . . 333 PHE CB . 25442 1 1581 . 2 2 32 32 PHE CD1 C 13 132.403 0.019 . . . . . . 333 PHE CD1 . 25442 1 1582 . 2 2 32 32 PHE CD2 C 13 132.403 0.019 . . . . . . 333 PHE CD2 . 25442 1 1583 . 2 2 32 32 PHE CE1 C 13 131.264 0.048 . . . . . . 333 PHE CE1 . 25442 1 1584 . 2 2 32 32 PHE CE2 C 13 131.264 0.048 . . . . . . 333 PHE CE2 . 25442 1 1585 . 2 2 32 32 PHE CZ C 13 128.948 0.039 . . . . . . 333 PHE CZ . 25442 1 1586 . 2 2 32 32 PHE N N 15 417.427 0.063 . . . . . . 333 PHE N . 25442 1 1587 . 2 2 33 33 ALA H H 1 7.870 0.010 . . . . . . 334 ALA HN . 25442 1 1588 . 2 2 33 33 ALA HA H 1 4.205 0.007 . . . . . . 334 ALA HA . 25442 1 1589 . 2 2 33 33 ALA HB1 H 1 1.516 0.005 . . . . . . 334 ALA QB . 25442 1 1590 . 2 2 33 33 ALA HB2 H 1 1.516 0.005 . . . . . . 334 ALA QB . 25442 1 1591 . 2 2 33 33 ALA HB3 H 1 1.516 0.005 . . . . . . 334 ALA QB . 25442 1 1592 . 2 2 33 33 ALA C C 13 179.696 0.000 . . . . . . 334 ALA C . 25442 1 1593 . 2 2 33 33 ALA CA C 13 354.698 0.055 . . . . . . 334 ALA CA . 25442 1 1594 . 2 2 33 33 ALA CB C 13 318.310 0.035 . . . . . . 334 ALA CB . 25442 1 1595 . 2 2 33 33 ALA N N 15 421.894 0.052 . . . . . . 334 ALA N . 25442 1 1596 . 2 2 34 34 LYS H H 1 7.705 0.015 . . . . . . 335 LYS HN . 25442 1 1597 . 2 2 34 34 LYS HA H 1 4.094 0.011 . . . . . . 335 LYS HA . 25442 1 1598 . 2 2 34 34 LYS HB2 H 1 1.687 0.005 . . . . . . 335 LYS HB2 . 25442 1 1599 . 2 2 34 34 LYS HB3 H 1 1.687 0.005 . . . . . . 335 LYS HB3 . 25442 1 1600 . 2 2 34 34 LYS HG2 H 1 1.341 0.004 . . . . . . 335 LYS HG2 . 25442 1 1601 . 2 2 34 34 LYS HG3 H 1 1.341 0.004 . . . . . . 335 LYS HG3 . 25442 1 1602 . 2 2 34 34 LYS HD2 H 1 1.526 0.004 . . . . . . 335 LYS HD2 . 25442 1 1603 . 2 2 34 34 LYS HD3 H 1 1.526 0.004 . . . . . . 335 LYS HD3 . 25442 1 1604 . 2 2 34 34 LYS HE2 H 1 2.826 0.004 . . . . . . 335 LYS HE2 . 25442 1 1605 . 2 2 34 34 LYS HE3 H 1 2.826 0.004 . . . . . . 335 LYS HE3 . 25442 1 1606 . 2 2 34 34 LYS C C 13 178.022 0.000 . . . . . . 335 LYS C . 25442 1 1607 . 2 2 34 34 LYS CA C 13 357.508 0.056 . . . . . . 335 LYS CA . 25442 1 1608 . 2 2 34 34 LYS CB C 13 331.926 0.032 . . . . . . 335 LYS CB . 25442 1 1609 . 2 2 34 34 LYS CG C 13 324.563 0.050 . . . . . . 335 LYS CG . 25442 1 1610 . 2 2 34 34 LYS CD C 13 328.700 0.018 . . . . . . 335 LYS CD . 25442 1 1611 . 2 2 34 34 LYS CE C 13 342.085 0.042 . . . . . . 335 LYS CE . 25442 1 1612 . 2 2 34 34 LYS N N 15 417.951 0.043 . . . . . . 335 LYS N . 25442 1 1613 . 2 2 35 35 GLN H H 1 7.587 0.006 . . . . . . 336 GLN HN . 25442 1 1614 . 2 2 35 35 GLN HA H 1 3.882 0.008 . . . . . . 336 GLN HA . 25442 1 1615 . 2 2 35 35 GLN HB2 H 1 1.689 0.007 . . . . . . 336 GLN HB2 . 25442 1 1616 . 2 2 35 35 GLN HB3 H 1 1.934 0.004 . . . . . . 336 GLN HB3 . 25442 1 1617 . 2 2 35 35 GLN HG2 H 1 1.760 0.006 . . . . . . 336 GLN HG2 . 25442 1 1618 . 2 2 35 35 GLN HG3 H 1 1.874 0.004 . . . . . . 336 GLN HG3 . 25442 1 1619 . 2 2 35 35 GLN HE21 H 1 6.421 0.000 . . . . . . 336 GLN HE21 . 25442 1 1620 . 2 2 35 35 GLN HE22 H 1 6.623 0.009 . . . . . . 336 GLN HE22 . 25442 1 1621 . 2 2 35 35 GLN C C 13 176.868 0.000 . . . . . . 336 GLN C . 25442 1 1622 . 2 2 35 35 GLN CA C 13 356.830 0.082 . . . . . . 336 GLN CA . 25442 1 1623 . 2 2 35 35 GLN CB C 13 328.286 0.063 . . . . . . 336 GLN CB . 25442 1 1624 . 2 2 35 35 GLN CG C 13 333.032 0.072 . . . . . . 336 GLN CG . 25442 1 1625 . 2 2 35 35 GLN N N 15 418.059 0.058 . . . . . . 336 GLN N . 25442 1 1626 . 2 2 35 35 GLN NE2 N 15 412.160 0.005 . . . . . . 336 GLN NE2 . 25442 1 1627 . 2 2 36 36 ASN H H 1 7.889 0.009 . . . . . . 337 ASN HN . 25442 1 1628 . 2 2 36 36 ASN HA H 1 4.644 0.000 . . . . . . 337 ASN HA . 25442 1 1629 . 2 2 36 36 ASN HB2 H 1 2.850 0.005 . . . . . . 337 ASN HB2 . 25442 1 1630 . 2 2 36 36 ASN HB3 H 1 2.734 0.004 . . . . . . 337 ASN HB3 . 25442 1 1631 . 2 2 36 36 ASN HD21 H 1 6.873 0.004 . . . . . . 337 ASN HD21 . 25442 1 1632 . 2 2 36 36 ASN HD22 H 1 7.534 0.004 . . . . . . 337 ASN HD22 . 25442 1 1633 . 2 2 36 36 ASN C C 13 175.548 0.000 . . . . . . 337 ASN C . 25442 1 1634 . 2 2 36 36 ASN CA C 13 354.022 0.013 . . . . . . 337 ASN CA . 25442 1 1635 . 2 2 36 36 ASN CB C 13 339.178 0.070 . . . . . . 337 ASN CB . 25442 1 1636 . 2 2 36 36 ASN N N 15 416.922 0.024 . . . . . . 337 ASN N . 25442 1 1637 . 2 2 36 36 ASN ND2 N 15 412.795 0.004 . . . . . . 337 ASN ND2 . 25442 1 1638 . 2 2 37 37 GLU H H 1 7.808 0.015 . . . . . . 338 GLU HN . 25442 1 1639 . 2 2 37 37 GLU HA H 1 4.233 0.005 . . . . . . 338 GLU HA . 25442 1 1640 . 2 2 37 37 GLU HB2 H 1 2.071 0.016 . . . . . . 338 GLU HB2 . 25442 1 1641 . 2 2 37 37 GLU HB3 H 1 2.014 0.012 . . . . . . 338 GLU HB3 . 25442 1 1642 . 2 2 37 37 GLU HG2 H 1 2.313 0.009 . . . . . . 338 GLU HG2 . 25442 1 1643 . 2 2 37 37 GLU HG3 H 1 2.225 0.008 . . . . . . 338 GLU HG3 . 25442 1 1644 . 2 2 37 37 GLU C C 13 176.821 0.000 . . . . . . 338 GLU C . 25442 1 1645 . 2 2 37 37 GLU CA C 13 357.358 0.072 . . . . . . 338 GLU CA . 25442 1 1646 . 2 2 37 37 GLU CB C 13 330.222 0.049 . . . . . . 338 GLU CB . 25442 1 1647 . 2 2 37 37 GLU CG C 13 336.386 0.060 . . . . . . 338 GLU CG . 25442 1 1648 . 2 2 37 37 GLU N N 15 420.249 0.064 . . . . . . 338 GLU N . 25442 1 1649 . 2 2 38 38 ILE H H 1 7.882 0.009 . . . . . . 339 ILE HN . 25442 1 1650 . 2 2 38 38 ILE HA H 1 4.132 0.021 . . . . . . 339 ILE HA . 25442 1 1651 . 2 2 38 38 ILE HB H 1 1.882 0.006 . . . . . . 339 ILE HB . 25442 1 1652 . 2 2 38 38 ILE HG12 H 1 1.469 0.005 . . . . . . 339 ILE HG12 . 25442 1 1653 . 2 2 38 38 ILE HG13 H 1 1.184 0.006 . . . . . . 339 ILE HG13 . 25442 1 1654 . 2 2 38 38 ILE HG21 H 1 0.901 0.005 . . . . . . 339 ILE QG2 . 25442 1 1655 . 2 2 38 38 ILE HG22 H 1 0.901 0.005 . . . . . . 339 ILE QG2 . 25442 1 1656 . 2 2 38 38 ILE HG23 H 1 0.901 0.005 . . . . . . 339 ILE QG2 . 25442 1 1657 . 2 2 38 38 ILE HD11 H 1 0.844 0.015 . . . . . . 339 ILE QD1 . 25442 1 1658 . 2 2 38 38 ILE HD12 H 1 0.844 0.015 . . . . . . 339 ILE QD1 . 25442 1 1659 . 2 2 38 38 ILE HD13 H 1 0.844 0.015 . . . . . . 339 ILE QD1 . 25442 1 1660 . 2 2 38 38 ILE C C 13 176.288 0.000 . . . . . . 339 ILE C . 25442 1 1661 . 2 2 38 38 ILE CA C 13 361.770 0.039 . . . . . . 339 ILE CA . 25442 1 1662 . 2 2 38 38 ILE CB C 13 338.695 0.077 . . . . . . 339 ILE CB . 25442 1 1663 . 2 2 38 38 ILE CG1 C 13 327.467 0.062 . . . . . . 339 ILE CG1 . 25442 1 1664 . 2 2 38 38 ILE CG2 C 13 317.615 0.057 . . . . . . 339 ILE CG2 . 25442 1 1665 . 2 2 38 38 ILE CD1 C 13 313.121 0.031 . . . . . . 339 ILE CD1 . 25442 1 1666 . 2 2 38 38 ILE N N 15 419.947 0.044 . . . . . . 339 ILE N . 25442 1 1667 . 2 2 39 39 ASN H H 1 8.290 0.021 . . . . . . 340 ASN HN . 25442 1 1668 . 2 2 39 39 ASN HA H 1 4.761 0.004 . . . . . . 340 ASN HA . 25442 1 1669 . 2 2 39 39 ASN HB2 H 1 2.845 0.004 . . . . . . 340 ASN HB2 . 25442 1 1670 . 2 2 39 39 ASN HB3 H 1 2.744 0.003 . . . . . . 340 ASN HB3 . 25442 1 1671 . 2 2 39 39 ASN C C 13 174.943 0.000 . . . . . . 340 ASN C . 25442 1 1672 . 2 2 39 39 ASN CA C 13 353.480 0.056 . . . . . . 340 ASN CA . 25442 1 1673 . 2 2 39 39 ASN CB C 13 339.588 0.161 . . . . . . 340 ASN CB . 25442 1 1674 . 2 2 39 39 ASN N N 15 421.974 0.085 . . . . . . 340 ASN N . 25442 1 1675 . 2 2 40 40 GLU H H 1 8.177 0.013 . . . . . . 341 GLU HN . 25442 1 1676 . 2 2 40 40 GLU HA H 1 4.314 0.005 . . . . . . 341 GLU HA . 25442 1 1677 . 2 2 40 40 GLU HB2 H 1 2.098 0.006 . . . . . . 341 GLU HB2 . 25442 1 1678 . 2 2 40 40 GLU HB3 H 1 1.953 0.004 . . . . . . 341 GLU HB3 . 25442 1 1679 . 2 2 40 40 GLU HG2 H 1 2.257 0.009 . . . . . . 341 GLU HG2 . 25442 1 1680 . 2 2 40 40 GLU HG3 H 1 2.257 0.009 . . . . . . 341 GLU HG3 . 25442 1 1681 . 2 2 40 40 GLU C C 13 175.367 0.000 . . . . . . 341 GLU C . 25442 1 1682 . 2 2 40 40 GLU CA C 13 356.784 0.029 . . . . . . 341 GLU CA . 25442 1 1683 . 2 2 40 40 GLU CB C 13 330.166 0.000 . . . . . . 341 GLU CB . 25442 1 1684 . 2 2 40 40 GLU N N 15 421.836 0.052 . . . . . . 341 GLU N . 25442 1 1685 . 2 2 41 41 LYS H H 1 7.866 0.025 . . . . . . 342 LYS HN . 25442 1 1686 . 2 2 41 41 LYS HA H 1 4.321 0.000 . . . . . . 342 LYS HA . 25442 1 1687 . 2 2 41 41 LYS CA C 13 356.877 0.000 . . . . . . 342 LYS CA . 25442 1 1688 . 2 2 41 41 LYS N N 15 427.245 0.036 . . . . . . 342 LYS N . 25442 1 stop_ save_