data_25443 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25443 _Entry.Title ; Snu17p-Pml1p 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 Pml1p(22-42)' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Piotr Wysoczanski . . . 25443 2 Stefan Becker . . . 25443 3 Markus Zweckstetter . . . 25443 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' . 25443 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ist3p . 25443 Pml1p . 25443 RES . 25443 RRM . 25443 Snu17p . 25443 cooperativity . 25443 heterodimer . 25443 spliceosome . 25443 splicing . 25443 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25443 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 572 25443 '15N chemical shifts' 135 25443 '1H chemical shifts' 930 25443 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 . 25443 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' 25443 BMRB 25442 'Heterodimeric complex composed of Snu17p/Ist3p(25-138) and Bud13p(215 255)' 25443 BMRB 2MY2 'Heterodimeric complex composed of Snu17p/Ist3p(25-138) and Bud13p(215 255)' 25443 PDB 2MKC . 25443 PDB 2MY3 'BMRB Entry Tracking System' 25443 stop_ save_ ############### # Citations # ############### save_The_citation _Citation.Sf_category citations _Citation.Sf_framecode The_citation _Citation.Entry_ID 25443 _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 . . . 25443 1 2 Stefan Becker . . . 25443 1 3 Markus Zweckstetter . . . 25443 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25443 _Assembly.ID 1 _Assembly.Name 'Heterodimeric complex composed of Snu17p/Ist3p(25-138) and Pml1p(22-42)' _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 Snu17p 1 $Snu17p A . yes native no no . . . 25443 1 2 Pml1p 2 $Pml1p B . yes native no no . . . 25443 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Snu17p _Entity.Sf_category entity _Entity.Sf_framecode Snu17p _Entity.Entry_ID 25443 _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 . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 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 no BMRB 19766 . Snu17p . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25443 1 2 no BMRB 25047 . RRM . . . . . 78.81 93 100.00 100.00 7.85e-60 . . . . 25443 1 3 no BMRB 25442 . Snu17p . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25443 1 4 no PDB 2MKC . "Cooperative Structure Of The Heterotrimeric Pre-mrna Retention And Splicing Complex" . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25443 1 5 no PDB 2MY2 . "Snu17p-bud13p Structure Intermediate During Res Complex Assembly" . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25443 1 6 no PDB 2MY3 . "Snu17p-pml1p Structure Intermediate During Res Complex Assembly" . . . . . 100.00 118 100.00 100.00 2.79e-78 . . . . 25443 1 7 no PDB 4UQT . "Rrm-peptide Structure In Res Complex" . . . . . 78.81 93 100.00 100.00 7.85e-60 . . . . 25443 1 8 no DBJ GAA24120 . "K7_Ist3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 9 no EMBL CAA86207 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 10 no EMBL CAY80517 . "Ist3p [Saccharomyces cerevisiae EC1118]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 11 no GB AAS56407 . "YIR005W [Saccharomyces cerevisiae]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 12 no GB AEO21093 . "IST3 [synthetic construct]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 13 no GB AHY76002 . "Ist3p [Saccharomyces cerevisiae YJM993]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 14 no GB AJP39470 . "Ist3p [Saccharomyces cerevisiae YJM1078]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 15 no GB AJR36763 . "Ist3p [Saccharomyces cerevisiae YJM189]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 16 no REF NP_012270 . "U2 snRNP complex subunit IST3 [Saccharomyces cerevisiae S288c]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 1 17 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 . . . . 25443 1 18 no TPG DAA08551 . "TPA: U2 snRNP complex subunit IST3 [Saccharomyces cerevisiae S288c]" . . . . . 99.15 148 97.44 98.29 3.23e-75 . . . . 25443 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 1 GLY . 25443 1 2 2 ALA . 25443 1 3 3 MET . 25443 1 4 4 GLY . 25443 1 5 5 ASN . 25443 1 6 6 GLU . 25443 1 7 7 TYR . 25443 1 8 8 LYS . 25443 1 9 9 ASP . 25443 1 10 10 ASN . 25443 1 11 11 ALA . 25443 1 12 12 TYR . 25443 1 13 13 ILE . 25443 1 14 14 TYR . 25443 1 15 15 ILE . 25443 1 16 16 GLY . 25443 1 17 17 ASN . 25443 1 18 18 LEU . 25443 1 19 19 ASN . 25443 1 20 20 ARG . 25443 1 21 21 GLU . 25443 1 22 22 LEU . 25443 1 23 23 THR . 25443 1 24 24 GLU . 25443 1 25 25 GLY . 25443 1 26 26 ASP . 25443 1 27 27 ILE . 25443 1 28 28 LEU . 25443 1 29 29 THR . 25443 1 30 30 VAL . 25443 1 31 31 PHE . 25443 1 32 32 SER . 25443 1 33 33 GLU . 25443 1 34 34 TYR . 25443 1 35 35 GLY . 25443 1 36 36 VAL . 25443 1 37 37 PRO . 25443 1 38 38 VAL . 25443 1 39 39 ASP . 25443 1 40 40 VAL . 25443 1 41 41 ILE . 25443 1 42 42 LEU . 25443 1 43 43 SER . 25443 1 44 44 ARG . 25443 1 45 45 ASP . 25443 1 46 46 GLU . 25443 1 47 47 ASN . 25443 1 48 48 THR . 25443 1 49 49 GLY . 25443 1 50 50 GLU . 25443 1 51 51 SER . 25443 1 52 52 GLN . 25443 1 53 53 GLY . 25443 1 54 54 PHE . 25443 1 55 55 ALA . 25443 1 56 56 TYR . 25443 1 57 57 LEU . 25443 1 58 58 LYS . 25443 1 59 59 TYR . 25443 1 60 60 GLU . 25443 1 61 61 ASP . 25443 1 62 62 GLN . 25443 1 63 63 ARG . 25443 1 64 64 SER . 25443 1 65 65 THR . 25443 1 66 66 ILE . 25443 1 67 67 LEU . 25443 1 68 68 ALA . 25443 1 69 69 VAL . 25443 1 70 70 ASP . 25443 1 71 71 ASN . 25443 1 72 72 LEU . 25443 1 73 73 ASN . 25443 1 74 74 GLY . 25443 1 75 75 PHE . 25443 1 76 76 LYS . 25443 1 77 77 ILE . 25443 1 78 78 GLY . 25443 1 79 79 GLY . 25443 1 80 80 ARG . 25443 1 81 81 ALA . 25443 1 82 82 LEU . 25443 1 83 83 LYS . 25443 1 84 84 ILE . 25443 1 85 85 ASP . 25443 1 86 86 HIS . 25443 1 87 87 THR . 25443 1 88 88 PHE . 25443 1 89 89 TYR . 25443 1 90 90 ARG . 25443 1 91 91 PRO . 25443 1 92 92 LYS . 25443 1 93 93 ARG . 25443 1 94 94 SER . 25443 1 95 95 LEU . 25443 1 96 96 GLN . 25443 1 97 97 LYS . 25443 1 98 98 TYR . 25443 1 99 99 TYR . 25443 1 100 100 GLU . 25443 1 101 101 ALA . 25443 1 102 102 VAL . 25443 1 103 103 LYS . 25443 1 104 104 GLU . 25443 1 105 105 GLU . 25443 1 106 106 LEU . 25443 1 107 107 ASP . 25443 1 108 108 ARG . 25443 1 109 109 ASP . 25443 1 110 110 ILE . 25443 1 111 111 VAL . 25443 1 112 112 SER . 25443 1 113 113 LYS . 25443 1 114 114 ASN . 25443 1 115 115 ASN . 25443 1 116 116 ALA . 25443 1 117 117 GLU . 25443 1 118 118 LYS . 25443 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 25443 1 . ALA 2 2 25443 1 . MET 3 3 25443 1 . GLY 4 4 25443 1 . ASN 5 5 25443 1 . GLU 6 6 25443 1 . TYR 7 7 25443 1 . LYS 8 8 25443 1 . ASP 9 9 25443 1 . ASN 10 10 25443 1 . ALA 11 11 25443 1 . TYR 12 12 25443 1 . ILE 13 13 25443 1 . TYR 14 14 25443 1 . ILE 15 15 25443 1 . GLY 16 16 25443 1 . ASN 17 17 25443 1 . LEU 18 18 25443 1 . ASN 19 19 25443 1 . ARG 20 20 25443 1 . GLU 21 21 25443 1 . LEU 22 22 25443 1 . THR 23 23 25443 1 . GLU 24 24 25443 1 . GLY 25 25 25443 1 . ASP 26 26 25443 1 . ILE 27 27 25443 1 . LEU 28 28 25443 1 . THR 29 29 25443 1 . VAL 30 30 25443 1 . PHE 31 31 25443 1 . SER 32 32 25443 1 . GLU 33 33 25443 1 . TYR 34 34 25443 1 . GLY 35 35 25443 1 . VAL 36 36 25443 1 . PRO 37 37 25443 1 . VAL 38 38 25443 1 . ASP 39 39 25443 1 . VAL 40 40 25443 1 . ILE 41 41 25443 1 . LEU 42 42 25443 1 . SER 43 43 25443 1 . ARG 44 44 25443 1 . ASP 45 45 25443 1 . GLU 46 46 25443 1 . ASN 47 47 25443 1 . THR 48 48 25443 1 . GLY 49 49 25443 1 . GLU 50 50 25443 1 . SER 51 51 25443 1 . GLN 52 52 25443 1 . GLY 53 53 25443 1 . PHE 54 54 25443 1 . ALA 55 55 25443 1 . TYR 56 56 25443 1 . LEU 57 57 25443 1 . LYS 58 58 25443 1 . TYR 59 59 25443 1 . GLU 60 60 25443 1 . ASP 61 61 25443 1 . GLN 62 62 25443 1 . ARG 63 63 25443 1 . SER 64 64 25443 1 . THR 65 65 25443 1 . ILE 66 66 25443 1 . LEU 67 67 25443 1 . ALA 68 68 25443 1 . VAL 69 69 25443 1 . ASP 70 70 25443 1 . ASN 71 71 25443 1 . LEU 72 72 25443 1 . ASN 73 73 25443 1 . GLY 74 74 25443 1 . PHE 75 75 25443 1 . LYS 76 76 25443 1 . ILE 77 77 25443 1 . GLY 78 78 25443 1 . GLY 79 79 25443 1 . ARG 80 80 25443 1 . ALA 81 81 25443 1 . LEU 82 82 25443 1 . LYS 83 83 25443 1 . ILE 84 84 25443 1 . ASP 85 85 25443 1 . HIS 86 86 25443 1 . THR 87 87 25443 1 . PHE 88 88 25443 1 . TYR 89 89 25443 1 . ARG 90 90 25443 1 . PRO 91 91 25443 1 . LYS 92 92 25443 1 . ARG 93 93 25443 1 . SER 94 94 25443 1 . LEU 95 95 25443 1 . GLN 96 96 25443 1 . LYS 97 97 25443 1 . TYR 98 98 25443 1 . TYR 99 99 25443 1 . GLU 100 100 25443 1 . ALA 101 101 25443 1 . VAL 102 102 25443 1 . LYS 103 103 25443 1 . GLU 104 104 25443 1 . GLU 105 105 25443 1 . LEU 106 106 25443 1 . ASP 107 107 25443 1 . ARG 108 108 25443 1 . ASP 109 109 25443 1 . ILE 110 110 25443 1 . VAL 111 111 25443 1 . SER 112 112 25443 1 . LYS 113 113 25443 1 . ASN 114 114 25443 1 . ASN 115 115 25443 1 . ALA 116 116 25443 1 . GLU 117 117 25443 1 . LYS 118 118 25443 1 stop_ save_ save_Pml1p _Entity.Sf_category entity _Entity.Sf_framecode Pml1p _Entity.Entry_ID 25443 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Pml1p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKSQYIDIMPDFSPSGLLE LES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2514.800 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 200 GLY . 25443 2 2 201 SER . 25443 2 3 202 LYS . 25443 2 4 203 SER . 25443 2 5 204 GLN . 25443 2 6 205 TYR . 25443 2 7 206 ILE . 25443 2 8 207 ASP . 25443 2 9 208 ILE . 25443 2 10 209 MET . 25443 2 11 210 PRO . 25443 2 12 211 ASP . 25443 2 13 212 PHE . 25443 2 14 213 SER . 25443 2 15 214 PRO . 25443 2 16 215 SER . 25443 2 17 216 GLY . 25443 2 18 217 LEU . 25443 2 19 218 LEU . 25443 2 20 219 GLU . 25443 2 21 220 LEU . 25443 2 22 221 GLU . 25443 2 23 222 SER . 25443 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25443 2 . SER 2 2 25443 2 . LYS 3 3 25443 2 . SER 4 4 25443 2 . GLN 5 5 25443 2 . TYR 6 6 25443 2 . ILE 7 7 25443 2 . ASP 8 8 25443 2 . ILE 9 9 25443 2 . MET 10 10 25443 2 . PRO 11 11 25443 2 . ASP 12 12 25443 2 . PHE 13 13 25443 2 . SER 14 14 25443 2 . PRO 15 15 25443 2 . SER 16 16 25443 2 . GLY 17 17 25443 2 . LEU 18 18 25443 2 . LEU 19 19 25443 2 . GLU 20 20 25443 2 . LEU 21 21 25443 2 . GLU 22 22 25443 2 . SER 23 23 25443 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 25443 _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 $Snu17p . 559292 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . IST3 . 25443 1 2 2 $Pml1p . 559292 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . PML1 . 25443 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 25443 _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 $Snu17p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pETM-11 . . . 25443 1 2 2 $Pml1p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'modified pET-28b with TEV cleavage site' . . . 25443 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Snu17p_13C15N _Sample.Sf_category sample _Sample.Sf_framecode Snu17p_13C15N _Sample.Entry_ID 25443 _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 . . . . 25443 1 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 25443 1 3 Snu17p '[U-13C; U-15N]' . . 1 $Snu17p . . . 0.8 1 mM . . . . 25443 1 4 Pml1p_Fmoc 'natural abundance' . . 2 $Pml1p . . . 1.2 1.5 mM . . . . 25443 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25443 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25443 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25443 1 stop_ save_ save_Pml1p_13C15N _Sample.Sf_category sample _Sample.Sf_framecode Pml1p_13C15N _Sample.Entry_ID 25443 _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 . . . . 25443 2 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 25443 2 3 Snu17p 'natural abundance' . . 1 $Snu17p . . . 1 1.2 mM . . . . 25443 2 4 Pml1p '[U-13C; U-15N]' . . 2 $Pml1p . . . 0.8 1 mM . . . . 25443 2 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25443 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25443 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25443 2 stop_ save_ ####################### # Sample conditions # ####################### save_Standard_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard_conditions _Sample_condition_list.Entry_ID 25443 _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 25443 1 pressure 1 . atm 25443 1 temperature 308 . K 25443 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25443 _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' . . 25443 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25443 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25443 _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' . . 25443 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'H2O refinment' 25443 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25443 _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' . . 25443 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25443 3 stop_ save_ save_Analysis_CCPN _Software.Sf_category software _Software.Sf_framecode Analysis_CCPN _Software.Entry_ID 25443 _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 . . 25443 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25443 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25443 _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' . . 25443 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25443 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 25443 _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 25443 _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 25443 _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 25443 _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 25443 _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' . . 25443 1 2 spectrometer_2 Bruker Avance . 800 'HCN cryoprobe' . . 25443 1 3 spectrometer_3 Bruker Avance . 700 'HCN cryoprobe' . . 25443 1 4 spectrometer_4 Bruker Avance . 600 'HCN cryoprobe' . . 25443 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 25443 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25443 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25443 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25443 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25443 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25443 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25443 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25443 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 13 '3D HNCO' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25443 1 14 '3D HNCA' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 15 '3D HNCA' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 16 '3D HN(CO)CA' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 17 '3D HN(CO)CA' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $Pml1p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 1 21 HBCBCGCDHD no . . . . . . . . . . 1 $Snu17p_13C15N isotropic . . 1 $Standard_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25443 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 25443 _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 . indirect 0.251449530 . . . . . . . . . 25443 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 25443 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 25443 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 25443 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard_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 10 '3D 1H-13C NOESY aromatic' . . . 25443 1 11 '3D 1H-13C NOESY aromatic' . . . 25443 1 12 '3D 1H-13C NOESY aliphatic' . . . 25443 1 13 '3D HNCO' . . . 25443 1 14 '3D HNCA' . . . 25443 1 15 '3D HNCA' . . . 25443 1 16 '3D HN(CO)CA' . . . 25443 1 17 '3D HN(CO)CA' . . . 25443 1 18 '3D HCCH-TOCSY' . . . 25443 1 19 '3D 1H-15N NOESY' . . . 25443 1 20 '3D 1H-15N NOESY' . . . 25443 1 21 HBCBCGCDHD . . . 25443 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 . . 25443 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 2 2 ALA HA H 1 4.286 0.002 . 1 . . . . 2 ALA HA . 25443 1 2 . 1 1 2 2 ALA HB1 H 1 1.322 0.001 . 2 . . . . 2 ALA QB . 25443 1 3 . 1 1 2 2 ALA HB2 H 1 1.322 0.001 . 2 . . . . 2 ALA QB . 25443 1 4 . 1 1 2 2 ALA HB3 H 1 1.322 0.001 . 2 . . . . 2 ALA QB . 25443 1 5 . 1 1 2 2 ALA C C 13 177.853 0.000 . 1 . . . . 2 ALA C . 25443 1 6 . 1 1 2 2 ALA CA C 13 52.661 0.028 . 1 . . . . 2 ALA CA . 25443 1 7 . 1 1 2 2 ALA CB C 13 19.308 0.008 . 1 . . . . 2 ALA CB . 25443 1 8 . 1 1 3 3 MET H H 1 8.530 0.015 . 1 . . . . 3 MET HN . 25443 1 9 . 1 1 3 3 MET HA H 1 4.435 0.001 . 1 . . . . 3 MET HA . 25443 1 10 . 1 1 3 3 MET HB2 H 1 1.956 0.001 . 2 . . . . 3 MET HB2 . 25443 1 11 . 1 1 3 3 MET HB3 H 1 2.030 0.001 . 2 . . . . 3 MET HB3 . 25443 1 12 . 1 1 3 3 MET HG2 H 1 2.537 0.001 . 2 . . . . 3 MET HG2 . 25443 1 13 . 1 1 3 3 MET HG3 H 1 2.466 0.001 . 2 . . . . 3 MET HG3 . 25443 1 14 . 1 1 3 3 MET HE1 H 1 1.995 0.001 . 2 . . . . 3 MET QE . 25443 1 15 . 1 1 3 3 MET HE2 H 1 1.995 0.001 . 2 . . . . 3 MET QE . 25443 1 16 . 1 1 3 3 MET HE3 H 1 1.995 0.001 . 2 . . . . 3 MET QE . 25443 1 17 . 1 1 3 3 MET C C 13 176.731 0.000 . 1 . . . . 3 MET C . 25443 1 18 . 1 1 3 3 MET CA C 13 55.503 0.032 . 1 . . . . 3 MET CA . 25443 1 19 . 1 1 3 3 MET CB C 13 32.795 0.000 . 1 . . . . 3 MET CB . 25443 1 20 . 1 1 3 3 MET CG C 13 31.859 0.000 . 1 . . . . 3 MET CG . 25443 1 21 . 1 1 3 3 MET CE C 13 16.836 0.000 . 1 . . . . 3 MET CE . 25443 1 22 . 1 1 3 3 MET N N 15 119.404 0.055 . 1 . . . . 3 MET N . 25443 1 23 . 1 1 4 4 GLY H H 1 8.414 0.016 . 1 . . . . 4 GLY HN . 25443 1 24 . 1 1 4 4 GLY HA2 H 1 3.949 0.000 . 2 . . . . 4 GLY HA2 . 25443 1 25 . 1 1 4 4 GLY HA3 H 1 3.908 0.001 . 2 . . . . 4 GLY HA3 . 25443 1 26 . 1 1 4 4 GLY C C 13 174.057 0.000 . 1 . . . . 4 GLY C . 25443 1 27 . 1 1 4 4 GLY CA C 13 45.363 0.035 . 1 . . . . 4 GLY CA . 25443 1 28 . 1 1 4 4 GLY N N 15 109.968 0.055 . 1 . . . . 4 GLY N . 25443 1 29 . 1 1 5 5 ASN H H 1 8.326 0.014 . 1 . . . . 5 ASN HN . 25443 1 30 . 1 1 5 5 ASN HA H 1 4.606 0.003 . 1 . . . . 5 ASN HA . 25443 1 31 . 1 1 5 5 ASN HB2 H 1 2.686 0.014 . 2 . . . . 5 ASN HB2 . 25443 1 32 . 1 1 5 5 ASN HB3 H 1 2.653 0.001 . 2 . . . . 5 ASN HB3 . 25443 1 33 . 1 1 5 5 ASN C C 13 175.443 0.000 . 1 . . . . 5 ASN C . 25443 1 34 . 1 1 5 5 ASN CA C 13 53.530 0.032 . 1 . . . . 5 ASN CA . 25443 1 35 . 1 1 5 5 ASN CB C 13 38.876 0.023 . 1 . . . . 5 ASN CB . 25443 1 36 . 1 1 5 5 ASN N N 15 118.659 0.045 . 1 . . . . 5 ASN N . 25443 1 37 . 1 1 6 6 GLU H H 1 8.633 0.011 . 1 . . . . 6 GLU HN . 25443 1 38 . 1 1 6 6 GLU HA H 1 4.097 0.004 . 1 . . . . 6 GLU HA . 25443 1 39 . 1 1 6 6 GLU HB2 H 1 1.768 0.002 . 2 . . . . 6 GLU HB2 . 25443 1 40 . 1 1 6 6 GLU HB3 H 1 1.831 0.001 . 2 . . . . 6 GLU HB3 . 25443 1 41 . 1 1 6 6 GLU HG2 H 1 2.022 0.003 . 2 . . . . 6 GLU HG2 . 25443 1 42 . 1 1 6 6 GLU HG3 H 1 2.089 0.005 . 2 . . . . 6 GLU HG3 . 25443 1 43 . 1 1 6 6 GLU C C 13 176.261 0.000 . 1 . . . . 6 GLU C . 25443 1 44 . 1 1 6 6 GLU CA C 13 57.171 0.046 . 1 . . . . 6 GLU CA . 25443 1 45 . 1 1 6 6 GLU CB C 13 29.715 0.052 . 1 . . . . 6 GLU CB . 25443 1 46 . 1 1 6 6 GLU CG C 13 36.193 0.037 . 1 . . . . 6 GLU CG . 25443 1 47 . 1 1 6 6 GLU N N 15 120.909 0.048 . 1 . . . . 6 GLU N . 25443 1 48 . 1 1 7 7 TYR H H 1 8.069 0.012 . 1 . . . . 7 TYR HN . 25443 1 49 . 1 1 7 7 TYR HA H 1 4.440 0.004 . 1 . . . . 7 TYR HA . 25443 1 50 . 1 1 7 7 TYR HB2 H 1 2.849 0.004 . 2 . . . . 7 TYR HB2 . 25443 1 51 . 1 1 7 7 TYR HB3 H 1 2.990 0.005 . 2 . . . . 7 TYR HB3 . 25443 1 52 . 1 1 7 7 TYR HD1 H 1 6.992 0.001 . 3 . . . . 7 TYR QD . 25443 1 53 . 1 1 7 7 TYR HD2 H 1 6.992 0.001 . 3 . . . . 7 TYR QD . 25443 1 54 . 1 1 7 7 TYR HE1 H 1 6.721 0.001 . 3 . . . . 7 TYR QE . 25443 1 55 . 1 1 7 7 TYR HE2 H 1 6.721 0.001 . 3 . . . . 7 TYR QE . 25443 1 56 . 1 1 7 7 TYR C C 13 175.789 0.000 . 1 . . . . 7 TYR C . 25443 1 57 . 1 1 7 7 TYR CA C 13 58.061 0.048 . 1 . . . . 7 TYR CA . 25443 1 58 . 1 1 7 7 TYR CB C 13 38.193 0.024 . 1 . . . . 7 TYR CB . 25443 1 59 . 1 1 7 7 TYR CD1 C 13 133.019 0.017 . 3 . . . . 7 TYR CD1 . 25443 1 60 . 1 1 7 7 TYR CD2 C 13 133.019 0.017 . 3 . . . . 7 TYR CD2 . 25443 1 61 . 1 1 7 7 TYR CE1 C 13 118.158 0.017 . 3 . . . . 7 TYR CE1 . 25443 1 62 . 1 1 7 7 TYR CE2 C 13 118.158 0.017 . 3 . . . . 7 TYR CE2 . 25443 1 63 . 1 1 7 7 TYR N N 15 120.283 0.055 . 1 . . . . 7 TYR N . 25443 1 64 . 1 1 8 8 LYS H H 1 7.868 0.009 . 1 . . . . 8 LYS HN . 25443 1 65 . 1 1 8 8 LYS HA H 1 4.107 0.003 . 1 . . . . 8 LYS HA . 25443 1 66 . 1 1 8 8 LYS HB2 H 1 1.674 0.002 . 2 . . . . 8 LYS HB2 . 25443 1 67 . 1 1 8 8 LYS HB3 H 1 1.619 0.003 . 2 . . . . 8 LYS HB3 . 25443 1 68 . 1 1 8 8 LYS HG2 H 1 1.248 0.004 . 2 . . . . 8 LYS HG2 . 25443 1 69 . 1 1 8 8 LYS HG3 H 1 1.192 0.004 . 2 . . . . 8 LYS HG3 . 25443 1 70 . 1 1 8 8 LYS HD2 H 1 1.499 0.006 . 2 . . . . 8 LYS HD2 . 25443 1 71 . 1 1 8 8 LYS HD3 H 1 1.499 0.006 . 2 . . . . 8 LYS HD3 . 25443 1 72 . 1 1 8 8 LYS HE2 H 1 2.836 0.006 . 2 . . . . 8 LYS HE2 . 25443 1 73 . 1 1 8 8 LYS HE3 H 1 2.836 0.006 . 2 . . . . 8 LYS HE3 . 25443 1 74 . 1 1 8 8 LYS C C 13 175.970 0.000 . 1 . . . . 8 LYS C . 25443 1 75 . 1 1 8 8 LYS CA C 13 56.550 0.050 . 1 . . . . 8 LYS CA . 25443 1 76 . 1 1 8 8 LYS CB C 13 33.141 0.022 . 1 . . . . 8 LYS CB . 25443 1 77 . 1 1 8 8 LYS CG C 13 24.588 0.026 . 1 . . . . 8 LYS CG . 25443 1 78 . 1 1 8 8 LYS CD C 13 29.026 0.015 . 1 . . . . 8 LYS CD . 25443 1 79 . 1 1 8 8 LYS N N 15 121.780 0.072 . 1 . . . . 8 LYS N . 25443 1 80 . 1 1 9 9 ASP H H 1 8.164 0.011 . 1 . . . . 9 ASP HN . 25443 1 81 . 1 1 9 9 ASP HA H 1 4.577 0.003 . 1 . . . . 9 ASP HA . 25443 1 82 . 1 1 9 9 ASP HB2 H 1 2.759 0.003 . 2 . . . . 9 ASP HB2 . 25443 1 83 . 1 1 9 9 ASP HB3 H 1 2.606 0.002 . 2 . . . . 9 ASP HB3 . 25443 1 84 . 1 1 9 9 ASP C C 13 175.979 0.000 . 1 . . . . 9 ASP C . 25443 1 85 . 1 1 9 9 ASP CA C 13 54.608 0.023 . 1 . . . . 9 ASP CA . 25443 1 86 . 1 1 9 9 ASP CB C 13 41.455 0.071 . 1 . . . . 9 ASP CB . 25443 1 87 . 1 1 9 9 ASP N N 15 119.825 0.060 . 1 . . . . 9 ASP N . 25443 1 88 . 1 1 10 10 ASN H H 1 8.284 0.016 . 1 . . . . 10 ASN HN . 25443 1 89 . 1 1 10 10 ASN HA H 1 4.935 0.003 . 1 . . . . 10 ASN HA . 25443 1 90 . 1 1 10 10 ASN HB2 H 1 2.888 0.008 . 2 . . . . 10 ASN HB2 . 25443 1 91 . 1 1 10 10 ASN HB3 H 1 2.888 0.008 . 2 . . . . 10 ASN HB3 . 25443 1 92 . 1 1 10 10 ASN HD21 H 1 6.892 0.000 . 2 . . . . 10 ASN HD21 . 25443 1 93 . 1 1 10 10 ASN HD22 H 1 7.423 0.000 . 2 . . . . 10 ASN HD22 . 25443 1 94 . 1 1 10 10 ASN C C 13 174.654 0.000 . 1 . . . . 10 ASN C . 25443 1 95 . 1 1 10 10 ASN CA C 13 52.792 0.048 . 1 . . . . 10 ASN CA . 25443 1 96 . 1 1 10 10 ASN CB C 13 38.554 0.029 . 1 . . . . 10 ASN CB . 25443 1 97 . 1 1 10 10 ASN N N 15 119.410 0.127 . 1 . . . . 10 ASN N . 25443 1 98 . 1 1 11 11 ALA H H 1 8.260 0.035 . 1 . . . . 11 ALA HN . 25443 1 99 . 1 1 11 11 ALA HA H 1 4.521 0.011 . 1 . . . . 11 ALA HA . 25443 1 100 . 1 1 11 11 ALA HB1 H 1 1.467 0.002 . 2 . . . . 11 ALA QB . 25443 1 101 . 1 1 11 11 ALA HB2 H 1 1.467 0.002 . 2 . . . . 11 ALA QB . 25443 1 102 . 1 1 11 11 ALA HB3 H 1 1.467 0.002 . 2 . . . . 11 ALA QB . 25443 1 103 . 1 1 11 11 ALA CA C 13 53.148 0.053 . 1 . . . . 11 ALA CA . 25443 1 104 . 1 1 11 11 ALA CB C 13 19.223 0.040 . 1 . . . . 11 ALA CB . 25443 1 105 . 1 1 11 11 ALA N N 15 122.716 0.191 . 1 . . . . 11 ALA N . 25443 1 106 . 1 1 12 12 TYR HA H 1 4.943 0.002 . 1 . . . . 12 TYR HA . 25443 1 107 . 1 1 12 12 TYR HB2 H 1 2.775 0.001 . 2 . . . . 12 TYR HB2 . 25443 1 108 . 1 1 12 12 TYR HB3 H 1 2.703 0.003 . 2 . . . . 12 TYR HB3 . 25443 1 109 . 1 1 12 12 TYR HD1 H 1 6.888 0.003 . 3 . . . . 12 TYR QD . 25443 1 110 . 1 1 12 12 TYR HD2 H 1 6.888 0.003 . 3 . . . . 12 TYR QD . 25443 1 111 . 1 1 12 12 TYR HE1 H 1 6.366 0.005 . 3 . . . . 12 TYR QE . 25443 1 112 . 1 1 12 12 TYR HE2 H 1 6.366 0.005 . 3 . . . . 12 TYR QE . 25443 1 113 . 1 1 12 12 TYR C C 13 177.075 0.000 . 1 . . . . 12 TYR C . 25443 1 114 . 1 1 12 12 TYR CA C 13 57.314 0.066 . 1 . . . . 12 TYR CA . 25443 1 115 . 1 1 12 12 TYR CB C 13 42.614 0.019 . 1 . . . . 12 TYR CB . 25443 1 116 . 1 1 12 12 TYR CD1 C 13 133.197 0.025 . 3 . . . . 12 TYR CD1 . 25443 1 117 . 1 1 12 12 TYR CD2 C 13 133.197 0.025 . 3 . . . . 12 TYR CD2 . 25443 1 118 . 1 1 12 12 TYR CE1 C 13 117.746 0.052 . 3 . . . . 12 TYR CE1 . 25443 1 119 . 1 1 12 12 TYR CE2 C 13 117.746 0.052 . 3 . . . . 12 TYR CE2 . 25443 1 120 . 1 1 13 13 ILE H H 1 9.358 0.013 . 1 . . . . 13 ILE HN . 25443 1 121 . 1 1 13 13 ILE HA H 1 4.981 0.009 . 1 . . . . 13 ILE HA . 25443 1 122 . 1 1 13 13 ILE HB H 1 1.612 0.007 . 1 . . . . 13 ILE HB . 25443 1 123 . 1 1 13 13 ILE HG12 H 1 0.948 0.003 . 2 . . . . 13 ILE HG12 . 25443 1 124 . 1 1 13 13 ILE HG13 H 1 1.396 0.001 . 2 . . . . 13 ILE HG13 . 25443 1 125 . 1 1 13 13 ILE HG21 H 1 0.711 0.003 . 2 . . . . 13 ILE QG2 . 25443 1 126 . 1 1 13 13 ILE HG22 H 1 0.711 0.003 . 2 . . . . 13 ILE QG2 . 25443 1 127 . 1 1 13 13 ILE HG23 H 1 0.711 0.003 . 2 . . . . 13 ILE QG2 . 25443 1 128 . 1 1 13 13 ILE HD11 H 1 0.710 0.003 . 2 . . . . 13 ILE QD1 . 25443 1 129 . 1 1 13 13 ILE HD12 H 1 0.710 0.003 . 2 . . . . 13 ILE QD1 . 25443 1 130 . 1 1 13 13 ILE HD13 H 1 0.710 0.003 . 2 . . . . 13 ILE QD1 . 25443 1 131 . 1 1 13 13 ILE C C 13 174.500 0.000 . 1 . . . . 13 ILE C . 25443 1 132 . 1 1 13 13 ILE CA C 13 60.380 0.061 . 1 . . . . 13 ILE CA . 25443 1 133 . 1 1 13 13 ILE CB C 13 39.792 0.050 . 1 . . . . 13 ILE CB . 25443 1 134 . 1 1 13 13 ILE CG1 C 13 25.980 0.044 . 1 . . . . 13 ILE CG1 . 25443 1 135 . 1 1 13 13 ILE CG2 C 13 18.751 0.034 . 1 . . . . 13 ILE CG2 . 25443 1 136 . 1 1 13 13 ILE CD1 C 13 14.659 0.035 . 1 . . . . 13 ILE CD1 . 25443 1 137 . 1 1 13 13 ILE N N 15 114.211 0.061 . 1 . . . . 13 ILE N . 25443 1 138 . 1 1 14 14 TYR H H 1 9.163 0.022 . 1 . . . . 14 TYR HN . 25443 1 139 . 1 1 14 14 TYR HA H 1 4.579 0.003 . 1 . . . . 14 TYR HA . 25443 1 140 . 1 1 14 14 TYR HB2 H 1 2.602 0.005 . 2 . . . . 14 TYR HB2 . 25443 1 141 . 1 1 14 14 TYR HB3 H 1 2.679 0.020 . 2 . . . . 14 TYR HB3 . 25443 1 142 . 1 1 14 14 TYR HD1 H 1 6.683 0.003 . 3 . . . . 14 TYR QD . 25443 1 143 . 1 1 14 14 TYR HD2 H 1 6.683 0.003 . 3 . . . . 14 TYR QD . 25443 1 144 . 1 1 14 14 TYR HE1 H 1 6.311 0.002 . 3 . . . . 14 TYR QE . 25443 1 145 . 1 1 14 14 TYR HE2 H 1 6.311 0.002 . 3 . . . . 14 TYR QE . 25443 1 146 . 1 1 14 14 TYR C C 13 173.192 0.000 . 1 . . . . 14 TYR C . 25443 1 147 . 1 1 14 14 TYR CA C 13 56.202 0.038 . 1 . . . . 14 TYR CA . 25443 1 148 . 1 1 14 14 TYR CB C 13 40.163 0.002 . 1 . . . . 14 TYR CB . 25443 1 149 . 1 1 14 14 TYR CD1 C 13 133.193 0.042 . 3 . . . . 14 TYR CD1 . 25443 1 150 . 1 1 14 14 TYR CD2 C 13 133.193 0.042 . 3 . . . . 14 TYR CD2 . 25443 1 151 . 1 1 14 14 TYR CE1 C 13 117.486 0.030 . 3 . . . . 14 TYR CE1 . 25443 1 152 . 1 1 14 14 TYR CE2 C 13 117.486 0.030 . 3 . . . . 14 TYR CE2 . 25443 1 153 . 1 1 14 14 TYR N N 15 124.891 0.090 . 1 . . . . 14 TYR N . 25443 1 154 . 1 1 15 15 ILE H H 1 8.569 0.008 . 1 . . . . 15 ILE HN . 25443 1 155 . 1 1 15 15 ILE HA H 1 4.210 0.005 . 1 . . . . 15 ILE HA . 25443 1 156 . 1 1 15 15 ILE HB H 1 1.200 0.003 . 1 . . . . 15 ILE HB . 25443 1 157 . 1 1 15 15 ILE HG12 H 1 1.049 0.003 . 2 . . . . 15 ILE HG12 . 25443 1 158 . 1 1 15 15 ILE HG13 H 1 0.393 0.004 . 2 . . . . 15 ILE HG13 . 25443 1 159 . 1 1 15 15 ILE HG21 H 1 0.715 0.003 . 2 . . . . 15 ILE QG2 . 25443 1 160 . 1 1 15 15 ILE HG22 H 1 0.715 0.003 . 2 . . . . 15 ILE QG2 . 25443 1 161 . 1 1 15 15 ILE HG23 H 1 0.715 0.003 . 2 . . . . 15 ILE QG2 . 25443 1 162 . 1 1 15 15 ILE HD11 H 1 -0.277 0.002 . 2 . . . . 15 ILE QD1 . 25443 1 163 . 1 1 15 15 ILE HD12 H 1 -0.277 0.002 . 2 . . . . 15 ILE QD1 . 25443 1 164 . 1 1 15 15 ILE HD13 H 1 -0.277 0.002 . 2 . . . . 15 ILE QD1 . 25443 1 165 . 1 1 15 15 ILE C C 13 173.823 0.000 . 1 . . . . 15 ILE C . 25443 1 166 . 1 1 15 15 ILE CA C 13 59.616 0.064 . 1 . . . . 15 ILE CA . 25443 1 167 . 1 1 15 15 ILE CB C 13 39.735 0.037 . 1 . . . . 15 ILE CB . 25443 1 168 . 1 1 15 15 ILE CG1 C 13 26.177 0.018 . 1 . . . . 15 ILE CG1 . 25443 1 169 . 1 1 15 15 ILE CG2 C 13 19.798 0.056 . 1 . . . . 15 ILE CG2 . 25443 1 170 . 1 1 15 15 ILE CD1 C 13 14.941 0.026 . 1 . . . . 15 ILE CD1 . 25443 1 171 . 1 1 15 15 ILE N N 15 127.801 0.047 . 1 . . . . 15 ILE N . 25443 1 172 . 1 1 16 16 GLY H H 1 9.354 0.011 . 1 . . . . 16 GLY HN . 25443 1 173 . 1 1 16 16 GLY HA2 H 1 3.592 0.007 . 2 . . . . 16 GLY HA2 . 25443 1 174 . 1 1 16 16 GLY HA3 H 1 4.577 0.000 . 2 . . . . 16 GLY HA3 . 25443 1 175 . 1 1 16 16 GLY C C 13 173.159 0.000 . 1 . . . . 16 GLY C . 25443 1 176 . 1 1 16 16 GLY CA C 13 43.244 0.072 . 1 . . . . 16 GLY CA . 25443 1 177 . 1 1 16 16 GLY N N 15 112.441 0.050 . 1 . . . . 16 GLY N . 25443 1 178 . 1 1 17 17 ASN H H 1 8.552 0.011 . 1 . . . . 17 ASN HN . 25443 1 179 . 1 1 17 17 ASN HA H 1 4.347 0.004 . 1 . . . . 17 ASN HA . 25443 1 180 . 1 1 17 17 ASN HB2 H 1 3.833 0.008 . 2 . . . . 17 ASN HB2 . 25443 1 181 . 1 1 17 17 ASN HB3 H 1 2.371 0.006 . 2 . . . . 17 ASN HB3 . 25443 1 182 . 1 1 17 17 ASN C C 13 174.834 0.000 . 1 . . . . 17 ASN C . 25443 1 183 . 1 1 17 17 ASN CA C 13 53.214 0.065 . 1 . . . . 17 ASN CA . 25443 1 184 . 1 1 17 17 ASN CB C 13 37.826 0.073 . 1 . . . . 17 ASN CB . 25443 1 185 . 1 1 17 17 ASN N N 15 114.797 0.045 . 1 . . . . 17 ASN N . 25443 1 186 . 1 1 18 18 LEU H H 1 7.743 0.007 . 1 . . . . 18 LEU HN . 25443 1 187 . 1 1 18 18 LEU HA H 1 3.994 0.005 . 1 . . . . 18 LEU HA . 25443 1 188 . 1 1 18 18 LEU HB2 H 1 0.976 0.013 . 2 . . . . 18 LEU HB2 . 25443 1 189 . 1 1 18 18 LEU HB3 H 1 1.068 0.005 . 2 . . . . 18 LEU HB3 . 25443 1 190 . 1 1 18 18 LEU HG H 1 1.182 0.004 . 1 . . . . 18 LEU HG . 25443 1 191 . 1 1 18 18 LEU HD11 H 1 0.592 0.002 . 2 . . . . 18 LEU QD1 . 25443 1 192 . 1 1 18 18 LEU HD12 H 1 0.592 0.002 . 2 . . . . 18 LEU QD1 . 25443 1 193 . 1 1 18 18 LEU HD13 H 1 0.592 0.002 . 2 . . . . 18 LEU QD1 . 25443 1 194 . 1 1 18 18 LEU HD21 H 1 0.360 0.003 . 2 . . . . 18 LEU QD2 . 25443 1 195 . 1 1 18 18 LEU HD22 H 1 0.360 0.003 . 2 . . . . 18 LEU QD2 . 25443 1 196 . 1 1 18 18 LEU HD23 H 1 0.360 0.003 . 2 . . . . 18 LEU QD2 . 25443 1 197 . 1 1 18 18 LEU C C 13 177.948 0.000 . 1 . . . . 18 LEU C . 25443 1 198 . 1 1 18 18 LEU CA C 13 53.772 0.041 . 1 . . . . 18 LEU CA . 25443 1 199 . 1 1 18 18 LEU CB C 13 42.385 0.029 . 1 . . . . 18 LEU CB . 25443 1 200 . 1 1 18 18 LEU CG C 13 26.246 0.042 . 1 . . . . 18 LEU CG . 25443 1 201 . 1 1 18 18 LEU CD1 C 13 24.048 0.038 . 2 . . . . 18 LEU CD1 . 25443 1 202 . 1 1 18 18 LEU CD2 C 13 26.946 0.065 . 2 . . . . 18 LEU CD2 . 25443 1 203 . 1 1 18 18 LEU N N 15 114.526 0.069 . 1 . . . . 18 LEU N . 25443 1 204 . 1 1 19 19 ASN H H 1 8.758 0.016 . 1 . . . . 19 ASN HN . 25443 1 205 . 1 1 19 19 ASN HA H 1 4.302 0.000 . 1 . . . . 19 ASN HA . 25443 1 206 . 1 1 19 19 ASN HB2 H 1 2.591 0.005 . 2 . . . . 19 ASN HB2 . 25443 1 207 . 1 1 19 19 ASN HB3 H 1 2.399 0.001 . 2 . . . . 19 ASN HB3 . 25443 1 208 . 1 1 19 19 ASN C C 13 178.040 0.000 . 1 . . . . 19 ASN C . 25443 1 209 . 1 1 19 19 ASN CA C 13 54.421 0.055 . 1 . . . . 19 ASN CA . 25443 1 210 . 1 1 19 19 ASN CB C 13 38.580 0.005 . 1 . . . . 19 ASN CB . 25443 1 211 . 1 1 19 19 ASN N N 15 122.718 0.040 . 1 . . . . 19 ASN N . 25443 1 212 . 1 1 20 20 ARG H H 1 8.997 0.015 . 1 . . . . 20 ARG HN . 25443 1 213 . 1 1 20 20 ARG HA H 1 3.790 0.005 . 1 . . . . 20 ARG HA . 25443 1 214 . 1 1 20 20 ARG HB2 H 1 1.745 0.002 . 2 . . . . 20 ARG HB2 . 25443 1 215 . 1 1 20 20 ARG HB3 H 1 2.012 0.003 . 2 . . . . 20 ARG HB3 . 25443 1 216 . 1 1 20 20 ARG HG2 H 1 1.746 0.005 . 2 . . . . 20 ARG HG2 . 25443 1 217 . 1 1 20 20 ARG HG3 H 1 1.408 0.004 . 2 . . . . 20 ARG HG3 . 25443 1 218 . 1 1 20 20 ARG HD2 H 1 3.139 0.002 . 2 . . . . 20 ARG HD2 . 25443 1 219 . 1 1 20 20 ARG HD3 H 1 3.107 0.003 . 2 . . . . 20 ARG HD3 . 25443 1 220 . 1 1 20 20 ARG C C 13 175.566 0.000 . 1 . . . . 20 ARG C . 25443 1 221 . 1 1 20 20 ARG CA C 13 58.775 0.020 . 1 . . . . 20 ARG CA . 25443 1 222 . 1 1 20 20 ARG CB C 13 29.642 0.007 . 1 . . . . 20 ARG CB . 25443 1 223 . 1 1 20 20 ARG CG C 13 28.105 0.051 . 1 . . . . 20 ARG CG . 25443 1 224 . 1 1 20 20 ARG CD C 13 42.881 0.060 . 1 . . . . 20 ARG CD . 25443 1 225 . 1 1 20 20 ARG N N 15 128.821 0.040 . 1 . . . . 20 ARG N . 25443 1 226 . 1 1 21 21 GLU H H 1 9.043 0.012 . 1 . . . . 21 GLU HN . 25443 1 227 . 1 1 21 21 GLU HA H 1 4.214 0.004 . 1 . . . . 21 GLU HA . 25443 1 228 . 1 1 21 21 GLU HB2 H 1 2.067 0.007 . 2 . . . . 21 GLU HB2 . 25443 1 229 . 1 1 21 21 GLU HB3 H 1 1.837 0.004 . 2 . . . . 21 GLU HB3 . 25443 1 230 . 1 1 21 21 GLU HG2 H 1 2.168 0.002 . 2 . . . . 21 GLU HG2 . 25443 1 231 . 1 1 21 21 GLU HG3 H 1 2.272 0.003 . 2 . . . . 21 GLU HG3 . 25443 1 232 . 1 1 21 21 GLU C C 13 177.076 0.000 . 1 . . . . 21 GLU C . 25443 1 233 . 1 1 21 21 GLU CA C 13 56.677 0.057 . 1 . . . . 21 GLU CA . 25443 1 234 . 1 1 21 21 GLU CB C 13 30.451 0.086 . 1 . . . . 21 GLU CB . 25443 1 235 . 1 1 21 21 GLU CG C 13 37.136 0.072 . 1 . . . . 21 GLU CG . 25443 1 236 . 1 1 21 21 GLU N N 15 117.438 0.055 . 1 . . . . 21 GLU N . 25443 1 237 . 1 1 22 22 LEU H H 1 7.183 0.008 . 1 . . . . 22 LEU HN . 25443 1 238 . 1 1 22 22 LEU HA H 1 4.491 0.004 . 1 . . . . 22 LEU HA . 25443 1 239 . 1 1 22 22 LEU HB2 H 1 1.773 0.005 . 2 . . . . 22 LEU HB2 . 25443 1 240 . 1 1 22 22 LEU HB3 H 1 1.339 0.005 . 2 . . . . 22 LEU HB3 . 25443 1 241 . 1 1 22 22 LEU HG H 1 1.673 0.002 . 1 . . . . 22 LEU HG . 25443 1 242 . 1 1 22 22 LEU HD11 H 1 0.924 0.003 . 2 . . . . 22 LEU QD1 . 25443 1 243 . 1 1 22 22 LEU HD12 H 1 0.924 0.003 . 2 . . . . 22 LEU QD1 . 25443 1 244 . 1 1 22 22 LEU HD13 H 1 0.924 0.003 . 2 . . . . 22 LEU QD1 . 25443 1 245 . 1 1 22 22 LEU HD21 H 1 0.794 0.006 . 2 . . . . 22 LEU QD2 . 25443 1 246 . 1 1 22 22 LEU HD22 H 1 0.794 0.006 . 2 . . . . 22 LEU QD2 . 25443 1 247 . 1 1 22 22 LEU HD23 H 1 0.794 0.006 . 2 . . . . 22 LEU QD2 . 25443 1 248 . 1 1 22 22 LEU C C 13 178.389 0.000 . 1 . . . . 22 LEU C . 25443 1 249 . 1 1 22 22 LEU CA C 13 55.496 0.049 . 1 . . . . 22 LEU CA . 25443 1 250 . 1 1 22 22 LEU CB C 13 42.148 0.049 . 1 . . . . 22 LEU CB . 25443 1 251 . 1 1 22 22 LEU CG C 13 27.191 0.102 . 1 . . . . 22 LEU CG . 25443 1 252 . 1 1 22 22 LEU CD1 C 13 27.795 0.048 . 2 . . . . 22 LEU CD1 . 25443 1 253 . 1 1 22 22 LEU CD2 C 13 24.062 0.057 . 2 . . . . 22 LEU CD2 . 25443 1 254 . 1 1 22 22 LEU N N 15 116.311 0.055 . 1 . . . . 22 LEU N . 25443 1 255 . 1 1 23 23 THR H H 1 8.743 0.007 . 1 . . . . 23 THR HN . 25443 1 256 . 1 1 23 23 THR HA H 1 4.289 0.004 . 1 . . . . 23 THR HA . 25443 1 257 . 1 1 23 23 THR HB H 1 5.187 0.002 . 1 . . . . 23 THR HB . 25443 1 258 . 1 1 23 23 THR HG21 H 1 1.171 0.002 . 2 . . . . 23 THR QG2 . 25443 1 259 . 1 1 23 23 THR HG22 H 1 1.171 0.002 . 2 . . . . 23 THR QG2 . 25443 1 260 . 1 1 23 23 THR HG23 H 1 1.171 0.002 . 2 . . . . 23 THR QG2 . 25443 1 261 . 1 1 23 23 THR C C 13 175.229 0.000 . 1 . . . . 23 THR C . 25443 1 262 . 1 1 23 23 THR CA C 13 59.895 0.063 . 1 . . . . 23 THR CA . 25443 1 263 . 1 1 23 23 THR CB C 13 71.989 0.069 . 1 . . . . 23 THR CB . 25443 1 264 . 1 1 23 23 THR CG2 C 13 21.755 0.048 . 1 . . . . 23 THR CG2 . 25443 1 265 . 1 1 23 23 THR N N 15 113.850 0.058 . 1 . . . . 23 THR N . 25443 1 266 . 1 1 24 24 GLU H H 1 9.641 0.007 . 1 . . . . 24 GLU HN . 25443 1 267 . 1 1 24 24 GLU HA H 1 3.591 0.011 . 1 . . . . 24 GLU HA . 25443 1 268 . 1 1 24 24 GLU HB2 H 1 1.272 0.007 . 2 . . . . 24 GLU HB2 . 25443 1 269 . 1 1 24 24 GLU HB3 H 1 1.509 0.005 . 2 . . . . 24 GLU HB3 . 25443 1 270 . 1 1 24 24 GLU HG2 H 1 2.511 0.009 . 2 . . . . 24 GLU HG2 . 25443 1 271 . 1 1 24 24 GLU HG3 H 1 2.059 0.011 . 2 . . . . 24 GLU HG3 . 25443 1 272 . 1 1 24 24 GLU C C 13 178.597 0.000 . 1 . . . . 24 GLU C . 25443 1 273 . 1 1 24 24 GLU CA C 13 63.490 0.065 . 1 . . . . 24 GLU CA . 25443 1 274 . 1 1 24 24 GLU CB C 13 27.433 0.000 . 1 . . . . 24 GLU CB . 25443 1 275 . 1 1 24 24 GLU CG C 13 38.370 0.035 . 1 . . . . 24 GLU CG . 25443 1 276 . 1 1 24 24 GLU N N 15 119.724 0.067 . 1 . . . . 24 GLU N . 25443 1 277 . 1 1 25 25 GLY H H 1 8.423 0.010 . 1 . . . . 25 GLY HN . 25443 1 278 . 1 1 25 25 GLY HA2 H 1 3.616 0.006 . 2 . . . . 25 GLY HA2 . 25443 1 279 . 1 1 25 25 GLY HA3 H 1 3.937 0.001 . 2 . . . . 25 GLY HA3 . 25443 1 280 . 1 1 25 25 GLY C C 13 175.425 0.000 . 1 . . . . 25 GLY C . 25443 1 281 . 1 1 25 25 GLY CA C 13 47.334 0.054 . 1 . . . . 25 GLY CA . 25443 1 282 . 1 1 25 25 GLY N N 15 104.430 0.054 . 1 . . . . 25 GLY N . 25443 1 283 . 1 1 26 26 ASP H H 1 7.859 0.007 . 1 . . . . 26 ASP HN . 25443 1 284 . 1 1 26 26 ASP HA H 1 4.530 0.003 . 1 . . . . 26 ASP HA . 25443 1 285 . 1 1 26 26 ASP HB2 H 1 2.508 0.010 . 2 . . . . 26 ASP HB2 . 25443 1 286 . 1 1 26 26 ASP HB3 H 1 3.209 0.007 . 2 . . . . 26 ASP HB3 . 25443 1 287 . 1 1 26 26 ASP C C 13 177.878 0.000 . 1 . . . . 26 ASP C . 25443 1 288 . 1 1 26 26 ASP CA C 13 57.429 0.055 . 1 . . . . 26 ASP CA . 25443 1 289 . 1 1 26 26 ASP CB C 13 41.612 0.078 . 1 . . . . 26 ASP CB . 25443 1 290 . 1 1 26 26 ASP N N 15 123.128 0.063 . 1 . . . . 26 ASP N . 25443 1 291 . 1 1 27 27 ILE H H 1 8.055 0.009 . 1 . . . . 27 ILE HN . 25443 1 292 . 1 1 27 27 ILE HA H 1 3.534 0.013 . 1 . . . . 27 ILE HA . 25443 1 293 . 1 1 27 27 ILE HB H 1 1.888 0.004 . 1 . . . . 27 ILE HB . 25443 1 294 . 1 1 27 27 ILE HG12 H 1 0.852 0.007 . 2 . . . . 27 ILE HG12 . 25443 1 295 . 1 1 27 27 ILE HG13 H 1 1.631 0.003 . 2 . . . . 27 ILE HG13 . 25443 1 296 . 1 1 27 27 ILE HG21 H 1 0.526 0.003 . 2 . . . . 27 ILE QG2 . 25443 1 297 . 1 1 27 27 ILE HG22 H 1 0.526 0.003 . 2 . . . . 27 ILE QG2 . 25443 1 298 . 1 1 27 27 ILE HG23 H 1 0.526 0.003 . 2 . . . . 27 ILE QG2 . 25443 1 299 . 1 1 27 27 ILE HD11 H 1 0.550 0.005 . 2 . . . . 27 ILE QD1 . 25443 1 300 . 1 1 27 27 ILE HD12 H 1 0.550 0.005 . 2 . . . . 27 ILE QD1 . 25443 1 301 . 1 1 27 27 ILE HD13 H 1 0.550 0.005 . 2 . . . . 27 ILE QD1 . 25443 1 302 . 1 1 27 27 ILE C C 13 178.225 0.000 . 1 . . . . 27 ILE C . 25443 1 303 . 1 1 27 27 ILE CA C 13 65.627 0.035 . 1 . . . . 27 ILE CA . 25443 1 304 . 1 1 27 27 ILE CB C 13 37.614 0.065 . 1 . . . . 27 ILE CB . 25443 1 305 . 1 1 27 27 ILE CG1 C 13 28.864 0.058 . 1 . . . . 27 ILE CG1 . 25443 1 306 . 1 1 27 27 ILE CG2 C 13 17.896 0.035 . 1 . . . . 27 ILE CG2 . 25443 1 307 . 1 1 27 27 ILE CD1 C 13 14.001 0.043 . 1 . . . . 27 ILE CD1 . 25443 1 308 . 1 1 27 27 ILE N N 15 118.864 0.050 . 1 . . . . 27 ILE N . 25443 1 309 . 1 1 28 28 LEU H H 1 8.423 0.007 . 1 . . . . 28 LEU HN . 25443 1 310 . 1 1 28 28 LEU HA H 1 3.861 0.004 . 1 . . . . 28 LEU HA . 25443 1 311 . 1 1 28 28 LEU HB2 H 1 2.079 0.007 . 2 . . . . 28 LEU HB2 . 25443 1 312 . 1 1 28 28 LEU HB3 H 1 1.634 0.005 . 2 . . . . 28 LEU HB3 . 25443 1 313 . 1 1 28 28 LEU HG H 1 1.841 0.005 . 1 . . . . 28 LEU HG . 25443 1 314 . 1 1 28 28 LEU HD11 H 1 0.939 0.005 . 2 . . . . 28 LEU QD1 . 25443 1 315 . 1 1 28 28 LEU HD12 H 1 0.939 0.005 . 2 . . . . 28 LEU QD1 . 25443 1 316 . 1 1 28 28 LEU HD13 H 1 0.939 0.005 . 2 . . . . 28 LEU QD1 . 25443 1 317 . 1 1 28 28 LEU HD21 H 1 0.752 0.003 . 2 . . . . 28 LEU QD2 . 25443 1 318 . 1 1 28 28 LEU HD22 H 1 0.752 0.003 . 2 . . . . 28 LEU QD2 . 25443 1 319 . 1 1 28 28 LEU HD23 H 1 0.752 0.003 . 2 . . . . 28 LEU QD2 . 25443 1 320 . 1 1 28 28 LEU C C 13 179.884 0.000 . 1 . . . . 28 LEU C . 25443 1 321 . 1 1 28 28 LEU CA C 13 58.758 0.045 . 1 . . . . 28 LEU CA . 25443 1 322 . 1 1 28 28 LEU CB C 13 41.137 0.060 . 1 . . . . 28 LEU CB . 25443 1 323 . 1 1 28 28 LEU CG C 13 26.943 0.029 . 1 . . . . 28 LEU CG . 25443 1 324 . 1 1 28 28 LEU CD1 C 13 25.407 0.048 . 2 . . . . 28 LEU CD1 . 25443 1 325 . 1 1 28 28 LEU CD2 C 13 23.147 0.029 . 2 . . . . 28 LEU CD2 . 25443 1 326 . 1 1 28 28 LEU N N 15 119.416 0.052 . 1 . . . . 28 LEU N . 25443 1 327 . 1 1 29 29 THR H H 1 8.552 0.014 . 1 . . . . 29 THR HN . 25443 1 328 . 1 1 29 29 THR HA H 1 3.790 0.016 . 1 . . . . 29 THR HA . 25443 1 329 . 1 1 29 29 THR HB H 1 4.427 0.008 . 1 . . . . 29 THR HB . 25443 1 330 . 1 1 29 29 THR HG21 H 1 1.151 0.008 . 2 . . . . 29 THR QG2 . 25443 1 331 . 1 1 29 29 THR HG22 H 1 1.151 0.008 . 2 . . . . 29 THR QG2 . 25443 1 332 . 1 1 29 29 THR HG23 H 1 1.151 0.008 . 2 . . . . 29 THR QG2 . 25443 1 333 . 1 1 29 29 THR C C 13 176.530 0.000 . 1 . . . . 29 THR C . 25443 1 334 . 1 1 29 29 THR CA C 13 67.322 0.063 . 1 . . . . 29 THR CA . 25443 1 335 . 1 1 29 29 THR CB C 13 68.372 0.031 . 1 . . . . 29 THR CB . 25443 1 336 . 1 1 29 29 THR CG2 C 13 22.060 0.052 . 1 . . . . 29 THR CG2 . 25443 1 337 . 1 1 29 29 THR N N 15 119.586 0.038 . 1 . . . . 29 THR N . 25443 1 338 . 1 1 30 30 VAL H H 1 7.959 0.010 . 1 . . . . 30 VAL HN . 25443 1 339 . 1 1 30 30 VAL HA H 1 3.601 0.002 . 1 . . . . 30 VAL HA . 25443 1 340 . 1 1 30 30 VAL HB H 1 2.071 0.009 . 1 . . . . 30 VAL HB . 25443 1 341 . 1 1 30 30 VAL HG11 H 1 1.113 0.003 . 2 . . . . 30 VAL QG1 . 25443 1 342 . 1 1 30 30 VAL HG12 H 1 1.113 0.003 . 2 . . . . 30 VAL QG1 . 25443 1 343 . 1 1 30 30 VAL HG13 H 1 1.113 0.003 . 2 . . . . 30 VAL QG1 . 25443 1 344 . 1 1 30 30 VAL HG21 H 1 0.414 0.004 . 2 . . . . 30 VAL QG2 . 25443 1 345 . 1 1 30 30 VAL HG22 H 1 0.414 0.004 . 2 . . . . 30 VAL QG2 . 25443 1 346 . 1 1 30 30 VAL HG23 H 1 0.414 0.004 . 2 . . . . 30 VAL QG2 . 25443 1 347 . 1 1 30 30 VAL C C 13 178.670 0.000 . 1 . . . . 30 VAL C . 25443 1 348 . 1 1 30 30 VAL CA C 13 66.081 0.069 . 1 . . . . 30 VAL CA . 25443 1 349 . 1 1 30 30 VAL CB C 13 32.993 0.063 . 1 . . . . 30 VAL CB . 25443 1 350 . 1 1 30 30 VAL CG1 C 13 23.423 0.056 . 2 . . . . 30 VAL CG1 . 25443 1 351 . 1 1 30 30 VAL CG2 C 13 21.368 0.032 . 2 . . . . 30 VAL CG2 . 25443 1 352 . 1 1 30 30 VAL N N 15 119.948 0.057 . 1 . . . . 30 VAL N . 25443 1 353 . 1 1 31 31 PHE H H 1 8.726 0.013 . 1 . . . . 31 PHE HN . 25443 1 354 . 1 1 31 31 PHE HA H 1 4.006 0.003 . 1 . . . . 31 PHE HA . 25443 1 355 . 1 1 31 31 PHE HB2 H 1 3.034 0.002 . 2 . . . . 31 PHE HB2 . 25443 1 356 . 1 1 31 31 PHE HB3 H 1 2.846 0.001 . 2 . . . . 31 PHE HB3 . 25443 1 357 . 1 1 31 31 PHE HD1 H 1 7.811 0.002 . 3 . . . . 31 PHE QD . 25443 1 358 . 1 1 31 31 PHE HD2 H 1 7.811 0.002 . 3 . . . . 31 PHE QD . 25443 1 359 . 1 1 31 31 PHE HE1 H 1 6.898 0.003 . 3 . . . . 31 PHE QE . 25443 1 360 . 1 1 31 31 PHE HE2 H 1 6.898 0.003 . 3 . . . . 31 PHE QE . 25443 1 361 . 1 1 31 31 PHE HZ H 1 7.019 0.002 . 1 . . . . 31 PHE HZ . 25443 1 362 . 1 1 31 31 PHE C C 13 180.133 0.000 . 1 . . . . 31 PHE C . 25443 1 363 . 1 1 31 31 PHE CA C 13 62.266 0.034 . 1 . . . . 31 PHE CA . 25443 1 364 . 1 1 31 31 PHE CB C 13 37.711 0.028 . 1 . . . . 31 PHE CB . 25443 1 365 . 1 1 31 31 PHE CD1 C 13 132.040 0.038 . 3 . . . . 31 PHE CD1 . 25443 1 366 . 1 1 31 31 PHE CD2 C 13 132.040 0.038 . 3 . . . . 31 PHE CD2 . 25443 1 367 . 1 1 31 31 PHE CE1 C 13 130.313 0.047 . 3 . . . . 31 PHE CE1 . 25443 1 368 . 1 1 31 31 PHE CE2 C 13 130.313 0.047 . 3 . . . . 31 PHE CE2 . 25443 1 369 . 1 1 31 31 PHE CZ C 13 129.743 0.050 . 1 . . . . 31 PHE CZ . 25443 1 370 . 1 1 31 31 PHE N N 15 113.636 0.055 . 1 . . . . 31 PHE N . 25443 1 371 . 1 1 32 32 SER H H 1 8.564 0.008 . 1 . . . . 32 SER HN . 25443 1 372 . 1 1 32 32 SER HA H 1 5.107 0.002 . 1 . . . . 32 SER HA . 25443 1 373 . 1 1 32 32 SER HB2 H 1 4.126 0.007 . 2 . . . . 32 SER HB2 . 25443 1 374 . 1 1 32 32 SER HB3 H 1 4.126 0.007 . 2 . . . . 32 SER HB3 . 25443 1 375 . 1 1 32 32 SER C C 13 173.450 0.000 . 1 . . . . 32 SER C . 25443 1 376 . 1 1 32 32 SER CA C 13 61.440 0.065 . 1 . . . . 32 SER CA . 25443 1 377 . 1 1 32 32 SER CB C 13 62.690 0.074 . 1 . . . . 32 SER CB . 25443 1 378 . 1 1 32 32 SER N N 15 119.746 0.081 . 1 . . . . 32 SER N . 25443 1 379 . 1 1 33 33 GLU H H 1 6.733 0.006 . 1 . . . . 33 GLU HN . 25443 1 380 . 1 1 33 33 GLU HA H 1 3.854 0.003 . 1 . . . . 33 GLU HA . 25443 1 381 . 1 1 33 33 GLU HB2 H 1 1.582 0.003 . 2 . . . . 33 GLU HB2 . 25443 1 382 . 1 1 33 33 GLU HB3 H 1 1.115 0.001 . 2 . . . . 33 GLU HB3 . 25443 1 383 . 1 1 33 33 GLU HG2 H 1 1.591 0.003 . 2 . . . . 33 GLU HG2 . 25443 1 384 . 1 1 33 33 GLU HG3 H 1 1.805 0.006 . 2 . . . . 33 GLU HG3 . 25443 1 385 . 1 1 33 33 GLU C C 13 176.471 0.000 . 1 . . . . 33 GLU C . 25443 1 386 . 1 1 33 33 GLU CA C 13 57.997 0.062 . 1 . . . . 33 GLU CA . 25443 1 387 . 1 1 33 33 GLU CB C 13 29.503 0.034 . 1 . . . . 33 GLU CB . 25443 1 388 . 1 1 33 33 GLU CG C 13 35.152 0.036 . 1 . . . . 33 GLU CG . 25443 1 389 . 1 1 33 33 GLU N N 15 118.689 0.082 . 1 . . . . 33 GLU N . 25443 1 390 . 1 1 34 34 TYR H H 1 6.662 0.005 . 1 . . . . 34 TYR HN . 25443 1 391 . 1 1 34 34 TYR HA H 1 4.469 0.001 . 1 . . . . 34 TYR HA . 25443 1 392 . 1 1 34 34 TYR HB2 H 1 3.346 0.000 . 2 . . . . 34 TYR HB2 . 25443 1 393 . 1 1 34 34 TYR HB3 H 1 2.400 0.001 . 2 . . . . 34 TYR HB3 . 25443 1 394 . 1 1 34 34 TYR HD2 H 1 6.803 0.002 . 3 . . . . 34 TYR HD2 . 25443 1 395 . 1 1 34 34 TYR HE2 H 1 6.447 0.001 . 3 . . . . 34 TYR HE2 . 25443 1 396 . 1 1 34 34 TYR C C 13 174.351 0.000 . 1 . . . . 34 TYR C . 25443 1 397 . 1 1 34 34 TYR CA C 13 57.940 0.038 . 1 . . . . 34 TYR CA . 25443 1 398 . 1 1 34 34 TYR CB C 13 39.557 0.029 . 1 . . . . 34 TYR CB . 25443 1 399 . 1 1 34 34 TYR CD2 C 13 132.197 0.022 . 3 . . . . 34 TYR CD2 . 25443 1 400 . 1 1 34 34 TYR CE2 C 13 118.280 0.025 . 3 . . . . 34 TYR CE2 . 25443 1 401 . 1 1 34 34 TYR N N 15 111.313 0.068 . 1 . . . . 34 TYR N . 25443 1 402 . 1 1 35 35 GLY H H 1 7.302 0.009 . 1 . . . . 35 GLY HN . 25443 1 403 . 1 1 35 35 GLY HA2 H 1 3.831 0.002 . 2 . . . . 35 GLY HA2 . 25443 1 404 . 1 1 35 35 GLY HA3 H 1 3.932 0.006 . 2 . . . . 35 GLY HA3 . 25443 1 405 . 1 1 35 35 GLY C C 13 170.709 0.000 . 1 . . . . 35 GLY C . 25443 1 406 . 1 1 35 35 GLY CA C 13 45.230 0.029 . 1 . . . . 35 GLY CA . 25443 1 407 . 1 1 35 35 GLY N N 15 106.055 0.055 . 1 . . . . 35 GLY N . 25443 1 408 . 1 1 36 36 VAL H H 1 8.595 0.009 . 1 . . . . 36 VAL HN . 25443 1 409 . 1 1 36 36 VAL HA H 1 4.492 0.005 . 1 . . . . 36 VAL HA . 25443 1 410 . 1 1 36 36 VAL HB H 1 2.033 0.001 . 1 . . . . 36 VAL HB . 25443 1 411 . 1 1 36 36 VAL HG11 H 1 0.818 0.002 . 0 . . . . 36 VAL QG1 . 25443 1 412 . 1 1 36 36 VAL HG12 H 1 0.818 0.002 . 0 . . . . 36 VAL QG1 . 25443 1 413 . 1 1 36 36 VAL HG13 H 1 0.818 0.002 . 0 . . . . 36 VAL QG1 . 25443 1 414 . 1 1 36 36 VAL HG21 H 1 0.962 0.002 . 2 . . . . 36 VAL QG2 . 25443 1 415 . 1 1 36 36 VAL HG22 H 1 0.962 0.002 . 2 . . . . 36 VAL QG2 . 25443 1 416 . 1 1 36 36 VAL HG23 H 1 0.962 0.002 . 2 . . . . 36 VAL QG2 . 25443 1 417 . 1 1 36 36 VAL CA C 13 59.912 0.040 . 1 . . . . 36 VAL CA . 25443 1 418 . 1 1 36 36 VAL CB C 13 33.632 0.019 . 1 . . . . 36 VAL CB . 25443 1 419 . 1 1 36 36 VAL CG1 C 13 20.580 0.038 . 2 . . . . 36 VAL CG1 . 25443 1 420 . 1 1 36 36 VAL CG2 C 13 20.921 0.039 . 2 . . . . 36 VAL CG2 . 25443 1 421 . 1 1 36 36 VAL N N 15 121.596 0.054 . 1 . . . . 36 VAL N . 25443 1 422 . 1 1 37 37 PRO HA H 1 4.499 0.005 . 1 . . . . 37 PRO HA . 25443 1 423 . 1 1 37 37 PRO HB2 H 1 1.695 0.006 . 2 . . . . 37 PRO HB2 . 25443 1 424 . 1 1 37 37 PRO HB3 H 1 1.594 0.005 . 2 . . . . 37 PRO HB3 . 25443 1 425 . 1 1 37 37 PRO HG2 H 1 1.461 0.004 . 2 . . . . 37 PRO HG2 . 25443 1 426 . 1 1 37 37 PRO HG3 H 1 2.008 0.003 . 2 . . . . 37 PRO HG3 . 25443 1 427 . 1 1 37 37 PRO HD2 H 1 4.605 0.009 . 2 . . . . 37 PRO HD2 . 25443 1 428 . 1 1 37 37 PRO HD3 H 1 3.736 0.002 . 2 . . . . 37 PRO HD3 . 25443 1 429 . 1 1 37 37 PRO C C 13 176.150 0.000 . 1 . . . . 37 PRO C . 25443 1 430 . 1 1 37 37 PRO CA C 13 62.320 0.043 . 1 . . . . 37 PRO CA . 25443 1 431 . 1 1 37 37 PRO CB C 13 31.945 0.041 . 1 . . . . 37 PRO CB . 25443 1 432 . 1 1 37 37 PRO CG C 13 28.352 0.035 . 1 . . . . 37 PRO CG . 25443 1 433 . 1 1 37 37 PRO CD C 13 51.343 0.044 . 1 . . . . 37 PRO CD . 25443 1 434 . 1 1 38 38 VAL H H 1 9.006 0.013 . 1 . . . . 38 VAL HN . 25443 1 435 . 1 1 38 38 VAL HA H 1 4.436 0.005 . 1 . . . . 38 VAL HA . 25443 1 436 . 1 1 38 38 VAL HB H 1 2.190 0.004 . 1 . . . . 38 VAL HB . 25443 1 437 . 1 1 38 38 VAL HG11 H 1 0.839 0.002 . 2 . . . . 38 VAL QG1 . 25443 1 438 . 1 1 38 38 VAL HG12 H 1 0.839 0.002 . 2 . . . . 38 VAL QG1 . 25443 1 439 . 1 1 38 38 VAL HG13 H 1 0.839 0.002 . 2 . . . . 38 VAL QG1 . 25443 1 440 . 1 1 38 38 VAL HG21 H 1 0.422 0.002 . 2 . . . . 38 VAL QG2 . 25443 1 441 . 1 1 38 38 VAL HG22 H 1 0.422 0.002 . 2 . . . . 38 VAL QG2 . 25443 1 442 . 1 1 38 38 VAL HG23 H 1 0.422 0.002 . 2 . . . . 38 VAL QG2 . 25443 1 443 . 1 1 38 38 VAL C C 13 175.124 0.000 . 1 . . . . 38 VAL C . 25443 1 444 . 1 1 38 38 VAL CA C 13 60.488 0.041 . 1 . . . . 38 VAL CA . 25443 1 445 . 1 1 38 38 VAL CB C 13 32.560 0.049 . 1 . . . . 38 VAL CB . 25443 1 446 . 1 1 38 38 VAL CG1 C 13 21.133 0.058 . 2 . . . . 38 VAL CG1 . 25443 1 447 . 1 1 38 38 VAL CG2 C 13 18.545 0.022 . 2 . . . . 38 VAL CG2 . 25443 1 448 . 1 1 38 38 VAL N N 15 114.135 0.086 . 1 . . . . 38 VAL N . 25443 1 449 . 1 1 39 39 ASP H H 1 7.454 0.006 . 1 . . . . 39 ASP HN . 25443 1 450 . 1 1 39 39 ASP HA H 1 4.626 0.002 . 1 . . . . 39 ASP HA . 25443 1 451 . 1 1 39 39 ASP HB2 H 1 2.624 0.001 . 2 . . . . 39 ASP HB2 . 25443 1 452 . 1 1 39 39 ASP HB3 H 1 2.123 0.007 . 2 . . . . 39 ASP HB3 . 25443 1 453 . 1 1 39 39 ASP C C 13 174.577 0.000 . 1 . . . . 39 ASP C . 25443 1 454 . 1 1 39 39 ASP CA C 13 54.706 0.015 . 1 . . . . 39 ASP CA . 25443 1 455 . 1 1 39 39 ASP CB C 13 43.495 0.043 . 1 . . . . 39 ASP CB . 25443 1 456 . 1 1 39 39 ASP N N 15 118.095 0.046 . 1 . . . . 39 ASP N . 25443 1 457 . 1 1 40 40 VAL H H 1 7.576 0.006 . 1 . . . . 40 VAL HN . 25443 1 458 . 1 1 40 40 VAL HA H 1 4.897 0.001 . 1 . . . . 40 VAL HA . 25443 1 459 . 1 1 40 40 VAL HB H 1 1.968 0.003 . 1 . . . . 40 VAL HB . 25443 1 460 . 1 1 40 40 VAL HG11 H 1 0.778 0.003 . 2 . . . . 40 VAL QG1 . 25443 1 461 . 1 1 40 40 VAL HG12 H 1 0.778 0.003 . 2 . . . . 40 VAL QG1 . 25443 1 462 . 1 1 40 40 VAL HG13 H 1 0.778 0.003 . 2 . . . . 40 VAL QG1 . 25443 1 463 . 1 1 40 40 VAL HG21 H 1 0.872 0.002 . 2 . . . . 40 VAL QG2 . 25443 1 464 . 1 1 40 40 VAL HG22 H 1 0.872 0.002 . 2 . . . . 40 VAL QG2 . 25443 1 465 . 1 1 40 40 VAL HG23 H 1 0.872 0.002 . 2 . . . . 40 VAL QG2 . 25443 1 466 . 1 1 40 40 VAL C C 13 170.928 0.000 . 1 . . . . 40 VAL C . 25443 1 467 . 1 1 40 40 VAL CA C 13 60.729 0.007 . 1 . . . . 40 VAL CA . 25443 1 468 . 1 1 40 40 VAL CB C 13 34.373 0.058 . 1 . . . . 40 VAL CB . 25443 1 469 . 1 1 40 40 VAL CG1 C 13 21.417 0.040 . 2 . . . . 40 VAL CG1 . 25443 1 470 . 1 1 40 40 VAL CG2 C 13 19.126 0.049 . 2 . . . . 40 VAL CG2 . 25443 1 471 . 1 1 40 40 VAL N N 15 121.566 0.068 . 1 . . . . 40 VAL N . 25443 1 472 . 1 1 41 41 ILE H H 1 8.929 0.009 . 1 . . . . 41 ILE HN . 25443 1 473 . 1 1 41 41 ILE HA H 1 4.752 0.002 . 1 . . . . 41 ILE HA . 25443 1 474 . 1 1 41 41 ILE HB H 1 1.618 0.000 . 1 . . . . 41 ILE HB . 25443 1 475 . 1 1 41 41 ILE HG12 H 1 1.738 0.015 . 2 . . . . 41 ILE HG12 . 25443 1 476 . 1 1 41 41 ILE HG13 H 1 1.252 0.007 . 2 . . . . 41 ILE HG13 . 25443 1 477 . 1 1 41 41 ILE HG21 H 1 0.696 0.003 . 2 . . . . 41 ILE QG2 . 25443 1 478 . 1 1 41 41 ILE HG22 H 1 0.696 0.003 . 2 . . . . 41 ILE QG2 . 25443 1 479 . 1 1 41 41 ILE HG23 H 1 0.696 0.003 . 2 . . . . 41 ILE QG2 . 25443 1 480 . 1 1 41 41 ILE HD11 H 1 0.171 0.002 . 2 . . . . 41 ILE QD1 . 25443 1 481 . 1 1 41 41 ILE HD12 H 1 0.171 0.002 . 2 . . . . 41 ILE QD1 . 25443 1 482 . 1 1 41 41 ILE HD13 H 1 0.171 0.002 . 2 . . . . 41 ILE QD1 . 25443 1 483 . 1 1 41 41 ILE C C 13 175.440 0.000 . 1 . . . . 41 ILE C . 25443 1 484 . 1 1 41 41 ILE CA C 13 61.609 0.037 . 1 . . . . 41 ILE CA . 25443 1 485 . 1 1 41 41 ILE CG1 C 13 29.987 0.070 . 1 . . . . 41 ILE CG1 . 25443 1 486 . 1 1 41 41 ILE CG2 C 13 19.719 0.037 . 1 . . . . 41 ILE CG2 . 25443 1 487 . 1 1 41 41 ILE CD1 C 13 17.084 0.047 . 1 . . . . 41 ILE CD1 . 25443 1 488 . 1 1 41 41 ILE N N 15 125.247 0.046 . 1 . . . . 41 ILE N . 25443 1 489 . 1 1 42 42 LEU H H 1 8.309 0.009 . 1 . . . . 42 LEU HN . 25443 1 490 . 1 1 42 42 LEU HA H 1 4.387 0.005 . 1 . . . . 42 LEU HA . 25443 1 491 . 1 1 42 42 LEU HB2 H 1 2.215 0.007 . 2 . . . . 42 LEU HB2 . 25443 1 492 . 1 1 42 42 LEU HB3 H 1 2.215 0.007 . 2 . . . . 42 LEU HB3 . 25443 1 493 . 1 1 42 42 LEU HG H 1 1.176 0.005 . 1 . . . . 42 LEU HG . 25443 1 494 . 1 1 42 42 LEU HD11 H 1 0.635 0.011 . 2 . . . . 42 LEU QD1 . 25443 1 495 . 1 1 42 42 LEU HD12 H 1 0.635 0.011 . 2 . . . . 42 LEU QD1 . 25443 1 496 . 1 1 42 42 LEU HD13 H 1 0.635 0.011 . 2 . . . . 42 LEU QD1 . 25443 1 497 . 1 1 42 42 LEU HD21 H 1 0.664 0.002 . 2 . . . . 42 LEU QD2 . 25443 1 498 . 1 1 42 42 LEU HD22 H 1 0.664 0.002 . 2 . . . . 42 LEU QD2 . 25443 1 499 . 1 1 42 42 LEU HD23 H 1 0.664 0.002 . 2 . . . . 42 LEU QD2 . 25443 1 500 . 1 1 42 42 LEU C C 13 174.979 0.000 . 1 . . . . 42 LEU C . 25443 1 501 . 1 1 42 42 LEU CA C 13 53.345 0.042 . 1 . . . . 42 LEU CA . 25443 1 502 . 1 1 42 42 LEU CB C 13 43.298 0.025 . 1 . . . . 42 LEU CB . 25443 1 503 . 1 1 42 42 LEU CG C 13 26.913 0.020 . 1 . . . . 42 LEU CG . 25443 1 504 . 1 1 42 42 LEU CD1 C 13 22.736 0.038 . 2 . . . . 42 LEU CD1 . 25443 1 505 . 1 1 42 42 LEU CD2 C 13 25.537 0.079 . 2 . . . . 42 LEU CD2 . 25443 1 506 . 1 1 42 42 LEU N N 15 128.791 0.084 . 1 . . . . 42 LEU N . 25443 1 507 . 1 1 43 43 SER H H 1 8.317 0.009 . 1 . . . . 43 SER HN . 25443 1 508 . 1 1 43 43 SER HA H 1 3.821 0.003 . 1 . . . . 43 SER HA . 25443 1 509 . 1 1 43 43 SER HB2 H 1 2.716 0.000 . 2 . . . . 43 SER HB2 . 25443 1 510 . 1 1 43 43 SER HB3 H 1 2.519 0.004 . 2 . . . . 43 SER HB3 . 25443 1 511 . 1 1 43 43 SER C C 13 173.870 0.000 . 1 . . . . 43 SER C . 25443 1 512 . 1 1 43 43 SER CA C 13 59.707 0.044 . 1 . . . . 43 SER CA . 25443 1 513 . 1 1 43 43 SER CB C 13 62.714 0.017 . 1 . . . . 43 SER CB . 25443 1 514 . 1 1 43 43 SER N N 15 122.753 0.052 . 1 . . . . 43 SER N . 25443 1 515 . 1 1 44 44 ARG H H 1 8.152 0.028 . 1 . . . . 44 ARG HN . 25443 1 516 . 1 1 44 44 ARG HA H 1 4.763 0.014 . 1 . . . . 44 ARG HA . 25443 1 517 . 1 1 44 44 ARG HB2 H 1 1.087 0.004 . 2 . . . . 44 ARG HB2 . 25443 1 518 . 1 1 44 44 ARG HB3 H 1 1.087 0.004 . 2 . . . . 44 ARG HB3 . 25443 1 519 . 1 1 44 44 ARG HD2 H 1 3.086 0.007 . 2 . . . . 44 ARG HD2 . 25443 1 520 . 1 1 44 44 ARG HD3 H 1 2.775 0.000 . 2 . . . . 44 ARG HD3 . 25443 1 521 . 1 1 44 44 ARG C C 13 175.094 0.000 . 1 . . . . 44 ARG C . 25443 1 522 . 1 1 44 44 ARG CA C 13 54.100 0.042 . 1 . . . . 44 ARG CA . 25443 1 523 . 1 1 44 44 ARG CB C 13 34.218 0.013 . 1 . . . . 44 ARG CB . 25443 1 524 . 1 1 44 44 ARG CD C 13 43.379 0.017 . 1 . . . . 44 ARG CD . 25443 1 525 . 1 1 44 44 ARG N N 15 128.068 0.046 . 1 . . . . 44 ARG N . 25443 1 526 . 1 1 45 45 ASP H H 1 8.628 0.009 . 1 . . . . 45 ASP HN . 25443 1 527 . 1 1 45 45 ASP HA H 1 4.172 0.004 . 1 . . . . 45 ASP HA . 25443 1 528 . 1 1 45 45 ASP HB2 H 1 2.487 0.008 . 2 . . . . 45 ASP HB2 . 25443 1 529 . 1 1 45 45 ASP HB3 H 1 2.955 0.007 . 2 . . . . 45 ASP HB3 . 25443 1 530 . 1 1 45 45 ASP C C 13 177.467 0.000 . 1 . . . . 45 ASP C . 25443 1 531 . 1 1 45 45 ASP CA C 13 54.898 0.053 . 1 . . . . 45 ASP CA . 25443 1 532 . 1 1 45 45 ASP CB C 13 43.568 0.060 . 1 . . . . 45 ASP CB . 25443 1 533 . 1 1 45 45 ASP N N 15 123.595 0.051 . 1 . . . . 45 ASP N . 25443 1 534 . 1 1 46 46 GLU H H 1 9.013 0.010 . 1 . . . . 46 GLU HN . 25443 1 535 . 1 1 46 46 GLU HA H 1 3.843 0.007 . 1 . . . . 46 GLU HA . 25443 1 536 . 1 1 46 46 GLU HB2 H 1 1.990 0.003 . 2 . . . . 46 GLU HB2 . 25443 1 537 . 1 1 46 46 GLU HB3 H 1 1.907 0.002 . 2 . . . . 46 GLU HB3 . 25443 1 538 . 1 1 46 46 GLU HG2 H 1 2.240 0.001 . 2 . . . . 46 GLU HG2 . 25443 1 539 . 1 1 46 46 GLU HG3 H 1 2.197 0.000 . 2 . . . . 46 GLU HG3 . 25443 1 540 . 1 1 46 46 GLU C C 13 175.690 0.000 . 1 . . . . 46 GLU C . 25443 1 541 . 1 1 46 46 GLU CA C 13 58.861 0.078 . 1 . . . . 46 GLU CA . 25443 1 542 . 1 1 46 46 GLU CB C 13 29.636 0.033 . 1 . . . . 46 GLU CB . 25443 1 543 . 1 1 46 46 GLU CG C 13 36.353 0.048 . 1 . . . . 46 GLU CG . 25443 1 544 . 1 1 46 46 GLU N N 15 125.161 0.062 . 1 . . . . 46 GLU N . 25443 1 545 . 1 1 47 47 ASN H H 1 8.926 0.008 . 1 . . . . 47 ASN HN . 25443 1 546 . 1 1 47 47 ASN HA H 1 4.842 0.005 . 1 . . . . 47 ASN HA . 25443 1 547 . 1 1 47 47 ASN HB2 H 1 2.707 0.003 . 2 . . . . 47 ASN HB2 . 25443 1 548 . 1 1 47 47 ASN HB3 H 1 2.903 0.004 . 2 . . . . 47 ASN HB3 . 25443 1 549 . 1 1 47 47 ASN HD21 H 1 6.984 0.000 . 2 . . . . 47 ASN HD21 . 25443 1 550 . 1 1 47 47 ASN HD22 H 1 7.854 0.000 . 2 . . . . 47 ASN HD22 . 25443 1 551 . 1 1 47 47 ASN C C 13 176.655 0.000 . 1 . . . . 47 ASN C . 25443 1 552 . 1 1 47 47 ASN CA C 13 54.897 0.040 . 1 . . . . 47 ASN CA . 25443 1 553 . 1 1 47 47 ASN CB C 13 40.141 0.053 . 1 . . . . 47 ASN CB . 25443 1 554 . 1 1 47 47 ASN N N 15 115.135 0.063 . 1 . . . . 47 ASN N . 25443 1 555 . 1 1 47 47 ASN ND2 N 15 114.732 0.001 . 1 . . . . 47 ASN ND2 . 25443 1 556 . 1 1 48 48 THR H H 1 8.455 0.012 . 1 . . . . 48 THR HN . 25443 1 557 . 1 1 48 48 THR HA H 1 4.400 0.004 . 1 . . . . 48 THR HA . 25443 1 558 . 1 1 48 48 THR HB H 1 4.339 0.003 . 1 . . . . 48 THR HB . 25443 1 559 . 1 1 48 48 THR HG21 H 1 1.102 0.004 . 2 . . . . 48 THR QG2 . 25443 1 560 . 1 1 48 48 THR HG22 H 1 1.102 0.004 . 2 . . . . 48 THR QG2 . 25443 1 561 . 1 1 48 48 THR HG23 H 1 1.102 0.004 . 2 . . . . 48 THR QG2 . 25443 1 562 . 1 1 48 48 THR C C 13 176.484 0.000 . 1 . . . . 48 THR C . 25443 1 563 . 1 1 48 48 THR CA C 13 61.513 0.068 . 1 . . . . 48 THR CA . 25443 1 564 . 1 1 48 48 THR CB C 13 71.189 0.012 . 1 . . . . 48 THR CB . 25443 1 565 . 1 1 48 48 THR CG2 C 13 20.965 0.057 . 1 . . . . 48 THR CG2 . 25443 1 566 . 1 1 48 48 THR N N 15 107.544 0.046 . 1 . . . . 48 THR N . 25443 1 567 . 1 1 49 49 GLY H H 1 8.607 0.007 . 1 . . . . 49 GLY HN . 25443 1 568 . 1 1 49 49 GLY HA2 H 1 3.574 0.006 . 2 . . . . 49 GLY HA2 . 25443 1 569 . 1 1 49 49 GLY HA3 H 1 4.182 0.004 . 2 . . . . 49 GLY HA3 . 25443 1 570 . 1 1 49 49 GLY C C 13 173.167 0.000 . 1 . . . . 49 GLY C . 25443 1 571 . 1 1 49 49 GLY CA C 13 45.628 0.070 . 1 . . . . 49 GLY CA . 25443 1 572 . 1 1 49 49 GLY N N 15 111.753 0.049 . 1 . . . . 49 GLY N . 25443 1 573 . 1 1 50 50 GLU H H 1 7.796 0.007 . 1 . . . . 50 GLU HN . 25443 1 574 . 1 1 50 50 GLU HA H 1 4.071 0.004 . 1 . . . . 50 GLU HA . 25443 1 575 . 1 1 50 50 GLU HB2 H 1 1.815 0.007 . 2 . . . . 50 GLU HB2 . 25443 1 576 . 1 1 50 50 GLU HB3 H 1 1.977 0.005 . 2 . . . . 50 GLU HB3 . 25443 1 577 . 1 1 50 50 GLU HG2 H 1 2.240 0.002 . 2 . . . . 50 GLU HG2 . 25443 1 578 . 1 1 50 50 GLU HG3 H 1 2.197 0.002 . 2 . . . . 50 GLU HG3 . 25443 1 579 . 1 1 50 50 GLU C C 13 176.629 0.000 . 1 . . . . 50 GLU C . 25443 1 580 . 1 1 50 50 GLU CA C 13 56.500 0.034 . 1 . . . . 50 GLU CA . 25443 1 581 . 1 1 50 50 GLU CB C 13 30.927 0.066 . 1 . . . . 50 GLU CB . 25443 1 582 . 1 1 50 50 GLU CG C 13 36.366 0.025 . 1 . . . . 50 GLU CG . 25443 1 583 . 1 1 50 50 GLU N N 15 119.978 0.054 . 1 . . . . 50 GLU N . 25443 1 584 . 1 1 51 51 SER H H 1 8.889 0.012 . 1 . . . . 51 SER HN . 25443 1 585 . 1 1 51 51 SER HA H 1 4.205 0.006 . 1 . . . . 51 SER HA . 25443 1 586 . 1 1 51 51 SER HB2 H 1 4.076 0.003 . 2 . . . . 51 SER HB2 . 25443 1 587 . 1 1 51 51 SER HB3 H 1 3.969 0.001 . 2 . . . . 51 SER HB3 . 25443 1 588 . 1 1 51 51 SER C C 13 176.532 0.000 . 1 . . . . 51 SER C . 25443 1 589 . 1 1 51 51 SER CA C 13 58.320 0.011 . 1 . . . . 51 SER CA . 25443 1 590 . 1 1 51 51 SER CB C 13 64.596 0.013 . 1 . . . . 51 SER CB . 25443 1 591 . 1 1 51 51 SER N N 15 115.672 0.070 . 1 . . . . 51 SER N . 25443 1 592 . 1 1 52 52 GLN H H 1 9.078 0.011 . 1 . . . . 52 GLN HN . 25443 1 593 . 1 1 52 52 GLN HA H 1 4.421 0.015 . 1 . . . . 52 GLN HA . 25443 1 594 . 1 1 52 52 GLN HB2 H 1 2.320 0.006 . 2 . . . . 52 GLN HB2 . 25443 1 595 . 1 1 52 52 GLN HB3 H 1 1.272 0.017 . 2 . . . . 52 GLN HB3 . 25443 1 596 . 1 1 52 52 GLN HG2 H 1 2.092 0.009 . 2 . . . . 52 GLN HG2 . 25443 1 597 . 1 1 52 52 GLN HG3 H 1 2.214 0.004 . 2 . . . . 52 GLN HG3 . 25443 1 598 . 1 1 52 52 GLN HE21 H 1 7.685 0.009 . 2 . . . . 52 GLN HE21 . 25443 1 599 . 1 1 52 52 GLN HE22 H 1 6.854 0.000 . 2 . . . . 52 GLN HE22 . 25443 1 600 . 1 1 52 52 GLN C C 13 177.396 0.000 . 1 . . . . 52 GLN C . 25443 1 601 . 1 1 52 52 GLN CA C 13 55.051 0.034 . 1 . . . . 52 GLN CA . 25443 1 602 . 1 1 52 52 GLN CB C 13 29.874 0.082 . 1 . . . . 52 GLN CB . 25443 1 603 . 1 1 52 52 GLN CG C 13 34.789 0.066 . 1 . . . . 52 GLN CG . 25443 1 604 . 1 1 52 52 GLN N N 15 123.139 0.061 . 1 . . . . 52 GLN N . 25443 1 605 . 1 1 53 53 GLY H H 1 8.851 0.008 . 1 . . . . 53 GLY HN . 25443 1 606 . 1 1 53 53 GLY HA2 H 1 4.095 0.001 . 2 . . . . 53 GLY HA2 . 25443 1 607 . 1 1 53 53 GLY HA3 H 1 3.361 0.003 . 2 . . . . 53 GLY HA3 . 25443 1 608 . 1 1 53 53 GLY C C 13 172.046 0.000 . 1 . . . . 53 GLY C . 25443 1 609 . 1 1 53 53 GLY CA C 13 46.550 0.036 . 1 . . . . 53 GLY CA . 25443 1 610 . 1 1 53 53 GLY N N 15 105.904 0.053 . 1 . . . . 53 GLY N . 25443 1 611 . 1 1 54 54 PHE H H 1 6.827 0.006 . 1 . . . . 54 PHE HN . 25443 1 612 . 1 1 54 54 PHE HA H 1 5.253 0.002 . 1 . . . . 54 PHE HA . 25443 1 613 . 1 1 54 54 PHE HB2 H 1 3.152 0.002 . 2 . . . . 54 PHE HB2 . 25443 1 614 . 1 1 54 54 PHE HB3 H 1 2.514 0.011 . 2 . . . . 54 PHE HB3 . 25443 1 615 . 1 1 54 54 PHE HD2 H 1 6.732 0.003 . 3 . . . . 54 PHE HD2 . 25443 1 616 . 1 1 54 54 PHE HE2 H 1 7.375 0.002 . 3 . . . . 54 PHE HE2 . 25443 1 617 . 1 1 54 54 PHE HZ H 1 7.320 0.005 . 1 . . . . 54 PHE HZ . 25443 1 618 . 1 1 54 54 PHE C C 13 171.570 0.000 . 1 . . . . 54 PHE C . 25443 1 619 . 1 1 54 54 PHE CA C 13 55.592 0.043 . 1 . . . . 54 PHE CA . 25443 1 620 . 1 1 54 54 PHE CB C 13 40.806 0.092 . 1 . . . . 54 PHE CB . 25443 1 621 . 1 1 54 54 PHE CD2 C 13 132.615 0.047 . 3 . . . . 54 PHE CD2 . 25443 1 622 . 1 1 54 54 PHE CE2 C 13 131.063 0.041 . 3 . . . . 54 PHE CE2 . 25443 1 623 . 1 1 54 54 PHE CZ C 13 129.921 0.051 . 1 . . . . 54 PHE CZ . 25443 1 624 . 1 1 54 54 PHE N N 15 111.888 0.069 . 1 . . . . 54 PHE N . 25443 1 625 . 1 1 55 55 ALA H H 1 8.927 0.008 . 1 . . . . 55 ALA HN . 25443 1 626 . 1 1 55 55 ALA HA H 1 5.032 0.000 . 1 . . . . 55 ALA HA . 25443 1 627 . 1 1 55 55 ALA HB1 H 1 0.996 0.001 . 2 . . . . 55 ALA QB . 25443 1 628 . 1 1 55 55 ALA HB2 H 1 0.996 0.001 . 2 . . . . 55 ALA QB . 25443 1 629 . 1 1 55 55 ALA HB3 H 1 0.996 0.001 . 2 . . . . 55 ALA QB . 25443 1 630 . 1 1 55 55 ALA C C 13 172.957 0.000 . 1 . . . . 55 ALA C . 25443 1 631 . 1 1 55 55 ALA CA C 13 49.477 0.019 . 1 . . . . 55 ALA CA . 25443 1 632 . 1 1 55 55 ALA N N 15 121.888 0.067 . 1 . . . . 55 ALA N . 25443 1 633 . 1 1 56 56 TYR H H 1 9.020 0.009 . 1 . . . . 56 TYR HN . 25443 1 634 . 1 1 56 56 TYR HA H 1 5.602 0.002 . 1 . . . . 56 TYR HA . 25443 1 635 . 1 1 56 56 TYR HB2 H 1 2.512 0.005 . 2 . . . . 56 TYR HB2 . 25443 1 636 . 1 1 56 56 TYR HB3 H 1 2.243 0.003 . 2 . . . . 56 TYR HB3 . 25443 1 637 . 1 1 56 56 TYR HD1 H 1 6.747 0.005 . 3 . . . . 56 TYR QD . 25443 1 638 . 1 1 56 56 TYR HD2 H 1 6.747 0.005 . 3 . . . . 56 TYR QD . 25443 1 639 . 1 1 56 56 TYR HE1 H 1 6.988 0.002 . 3 . . . . 56 TYR QE . 25443 1 640 . 1 1 56 56 TYR HE2 H 1 6.988 0.002 . 3 . . . . 56 TYR QE . 25443 1 641 . 1 1 56 56 TYR C C 13 175.162 0.000 . 1 . . . . 56 TYR C . 25443 1 642 . 1 1 56 56 TYR CA C 13 55.444 0.020 . 1 . . . . 56 TYR CA . 25443 1 643 . 1 1 56 56 TYR CB C 13 42.189 0.032 . 1 . . . . 56 TYR CB . 25443 1 644 . 1 1 56 56 TYR CD1 C 13 133.238 0.019 . 3 . . . . 56 TYR CD1 . 25443 1 645 . 1 1 56 56 TYR CD2 C 13 133.238 0.019 . 3 . . . . 56 TYR CD2 . 25443 1 646 . 1 1 56 56 TYR CE1 C 13 117.634 0.088 . 3 . . . . 56 TYR CE1 . 25443 1 647 . 1 1 56 56 TYR CE2 C 13 117.634 0.088 . 3 . . . . 56 TYR CE2 . 25443 1 648 . 1 1 56 56 TYR N N 15 115.049 0.062 . 1 . . . . 56 TYR N . 25443 1 649 . 1 1 57 57 LEU H H 1 8.706 0.006 . 1 . . . . 57 LEU HN . 25443 1 650 . 1 1 57 57 LEU HA H 1 4.713 0.000 . 1 . . . . 57 LEU HA . 25443 1 651 . 1 1 57 57 LEU HB2 H 1 0.749 0.001 . 2 . . . . 57 LEU HB2 . 25443 1 652 . 1 1 57 57 LEU HB3 H 1 0.991 0.001 . 2 . . . . 57 LEU HB3 . 25443 1 653 . 1 1 57 57 LEU HG H 1 1.444 0.000 . 1 . . . . 57 LEU HG . 25443 1 654 . 1 1 57 57 LEU HD11 H 1 -0.357 0.003 . 2 . . . . 57 LEU QD1 . 25443 1 655 . 1 1 57 57 LEU HD12 H 1 -0.357 0.003 . 2 . . . . 57 LEU QD1 . 25443 1 656 . 1 1 57 57 LEU HD13 H 1 -0.357 0.003 . 2 . . . . 57 LEU QD1 . 25443 1 657 . 1 1 57 57 LEU HD21 H 1 0.262 0.004 . 2 . . . . 57 LEU QD2 . 25443 1 658 . 1 1 57 57 LEU HD22 H 1 0.262 0.004 . 2 . . . . 57 LEU QD2 . 25443 1 659 . 1 1 57 57 LEU HD23 H 1 0.262 0.004 . 2 . . . . 57 LEU QD2 . 25443 1 660 . 1 1 57 57 LEU C C 13 172.371 0.000 . 1 . . . . 57 LEU C . 25443 1 661 . 1 1 57 57 LEU CA C 13 54.712 0.055 . 1 . . . . 57 LEU CA . 25443 1 662 . 1 1 57 57 LEU CB C 13 46.754 0.047 . 1 . . . . 57 LEU CB . 25443 1 663 . 1 1 57 57 LEU CG C 13 26.406 0.000 . 1 . . . . 57 LEU CG . 25443 1 664 . 1 1 57 57 LEU CD1 C 13 24.297 0.037 . 2 . . . . 57 LEU CD1 . 25443 1 665 . 1 1 57 57 LEU CD2 C 13 26.769 0.040 . 2 . . . . 57 LEU CD2 . 25443 1 666 . 1 1 57 57 LEU N N 15 122.745 0.084 . 1 . . . . 57 LEU N . 25443 1 667 . 1 1 58 58 LYS H H 1 7.948 0.007 . 1 . . . . 58 LYS HN . 25443 1 668 . 1 1 58 58 LYS HA H 1 4.467 0.004 . 1 . . . . 58 LYS HA . 25443 1 669 . 1 1 58 58 LYS HB2 H 1 0.790 0.008 . 2 . . . . 58 LYS HB2 . 25443 1 670 . 1 1 58 58 LYS HB3 H 1 -0.009 0.010 . 2 . . . . 58 LYS HB3 . 25443 1 671 . 1 1 58 58 LYS HG2 H 1 1.015 0.008 . 2 . . . . 58 LYS HG2 . 25443 1 672 . 1 1 58 58 LYS HG3 H 1 0.908 0.015 . 2 . . . . 58 LYS HG3 . 25443 1 673 . 1 1 58 58 LYS HD2 H 1 1.161 0.003 . 2 . . . . 58 LYS HD2 . 25443 1 674 . 1 1 58 58 LYS HD3 H 1 1.012 0.005 . 2 . . . . 58 LYS HD3 . 25443 1 675 . 1 1 58 58 LYS HE2 H 1 2.680 0.004 . 2 . . . . 58 LYS HE2 . 25443 1 676 . 1 1 58 58 LYS HE3 H 1 2.680 0.004 . 2 . . . . 58 LYS HE3 . 25443 1 677 . 1 1 58 58 LYS C C 13 175.152 0.000 . 1 . . . . 58 LYS C . 25443 1 678 . 1 1 58 58 LYS CA C 13 54.494 0.010 . 1 . . . . 58 LYS CA . 25443 1 679 . 1 1 58 58 LYS CB C 13 36.479 0.064 . 1 . . . . 58 LYS CB . 25443 1 680 . 1 1 58 58 LYS CG C 13 24.577 0.048 . 1 . . . . 58 LYS CG . 25443 1 681 . 1 1 58 58 LYS CD C 13 29.440 0.033 . 1 . . . . 58 LYS CD . 25443 1 682 . 1 1 58 58 LYS CE C 13 42.157 0.030 . 1 . . . . 58 LYS CE . 25443 1 683 . 1 1 58 58 LYS N N 15 125.469 0.038 . 1 . . . . 58 LYS N . 25443 1 684 . 1 1 59 59 TYR H H 1 8.957 0.013 . 1 . . . . 59 TYR HN . 25443 1 685 . 1 1 59 59 TYR HA H 1 5.003 0.008 . 1 . . . . 59 TYR HA . 25443 1 686 . 1 1 59 59 TYR HB2 H 1 3.198 0.006 . 2 . . . . 59 TYR HB2 . 25443 1 687 . 1 1 59 59 TYR HB3 H 1 2.504 0.005 . 2 . . . . 59 TYR HB3 . 25443 1 688 . 1 1 59 59 TYR HD1 H 1 6.710 0.003 . 3 . . . . 59 TYR QD . 25443 1 689 . 1 1 59 59 TYR HD2 H 1 6.710 0.003 . 3 . . . . 59 TYR QD . 25443 1 690 . 1 1 59 59 TYR HE1 H 1 6.409 0.003 . 3 . . . . 59 TYR QE . 25443 1 691 . 1 1 59 59 TYR HE2 H 1 6.409 0.003 . 3 . . . . 59 TYR QE . 25443 1 692 . 1 1 59 59 TYR HH H 1 9.233 0.002 . 1 . . . . 59 TYR HH . 25443 1 693 . 1 1 59 59 TYR C C 13 176.020 0.000 . 1 . . . . 59 TYR C . 25443 1 694 . 1 1 59 59 TYR CA C 13 57.992 0.038 . 1 . . . . 59 TYR CA . 25443 1 695 . 1 1 59 59 TYR CB C 13 41.715 0.057 . 1 . . . . 59 TYR CB . 25443 1 696 . 1 1 59 59 TYR CD1 C 13 132.386 0.040 . 3 . . . . 59 TYR CD1 . 25443 1 697 . 1 1 59 59 TYR CD2 C 13 132.386 0.040 . 3 . . . . 59 TYR CD2 . 25443 1 698 . 1 1 59 59 TYR CE1 C 13 116.901 0.043 . 3 . . . . 59 TYR CE1 . 25443 1 699 . 1 1 59 59 TYR CE2 C 13 116.901 0.043 . 3 . . . . 59 TYR CE2 . 25443 1 700 . 1 1 59 59 TYR N N 15 126.261 0.046 . 1 . . . . 59 TYR N . 25443 1 701 . 1 1 60 60 GLU H H 1 8.845 0.010 . 1 . . . . 60 GLU HN . 25443 1 702 . 1 1 60 60 GLU HA H 1 3.839 0.004 . 1 . . . . 60 GLU HA . 25443 1 703 . 1 1 60 60 GLU HB2 H 1 2.064 0.001 . 2 . . . . 60 GLU HB2 . 25443 1 704 . 1 1 60 60 GLU HB3 H 1 2.002 0.002 . 2 . . . . 60 GLU HB3 . 25443 1 705 . 1 1 60 60 GLU HG2 H 1 2.186 0.005 . 2 . . . . 60 GLU HG2 . 25443 1 706 . 1 1 60 60 GLU HG3 H 1 2.186 0.005 . 2 . . . . 60 GLU HG3 . 25443 1 707 . 1 1 60 60 GLU C C 13 175.346 0.000 . 1 . . . . 60 GLU C . 25443 1 708 . 1 1 60 60 GLU CA C 13 59.057 0.062 . 1 . . . . 60 GLU CA . 25443 1 709 . 1 1 60 60 GLU CB C 13 30.653 0.047 . 1 . . . . 60 GLU CB . 25443 1 710 . 1 1 60 60 GLU CG C 13 36.243 0.055 . 1 . . . . 60 GLU CG . 25443 1 711 . 1 1 60 60 GLU N N 15 120.342 0.046 . 1 . . . . 60 GLU N . 25443 1 712 . 1 1 61 61 ASP H H 1 7.922 0.010 . 1 . . . . 61 ASP HN . 25443 1 713 . 1 1 61 61 ASP HA H 1 4.915 0.003 . 1 . . . . 61 ASP HA . 25443 1 714 . 1 1 61 61 ASP HB2 H 1 2.927 0.007 . 2 . . . . 61 ASP HB2 . 25443 1 715 . 1 1 61 61 ASP HB3 H 1 2.526 0.007 . 2 . . . . 61 ASP HB3 . 25443 1 716 . 1 1 61 61 ASP C C 13 176.659 0.000 . 1 . . . . 61 ASP C . 25443 1 717 . 1 1 61 61 ASP CA C 13 51.856 0.048 . 1 . . . . 61 ASP CA . 25443 1 718 . 1 1 61 61 ASP CB C 13 43.726 0.064 . 1 . . . . 61 ASP CB . 25443 1 719 . 1 1 61 61 ASP N N 15 116.193 0.042 . 1 . . . . 61 ASP N . 25443 1 720 . 1 1 62 62 GLN H H 1 8.964 0.020 . 1 . . . . 62 GLN HN . 25443 1 721 . 1 1 62 62 GLN HA H 1 4.221 0.005 . 1 . . . . 62 GLN HA . 25443 1 722 . 1 1 62 62 GLN HB2 H 1 2.138 0.003 . 2 . . . . 62 GLN HB2 . 25443 1 723 . 1 1 62 62 GLN HB3 H 1 2.138 0.003 . 2 . . . . 62 GLN HB3 . 25443 1 724 . 1 1 62 62 GLN HG2 H 1 2.477 0.003 . 2 . . . . 62 GLN HG2 . 25443 1 725 . 1 1 62 62 GLN HG3 H 1 2.477 0.003 . 2 . . . . 62 GLN HG3 . 25443 1 726 . 1 1 62 62 GLN HE21 H 1 7.541 0.000 . 2 . . . . 62 GLN HE21 . 25443 1 727 . 1 1 62 62 GLN HE22 H 1 6.868 0.000 . 2 . . . . 62 GLN HE22 . 25443 1 728 . 1 1 62 62 GLN C C 13 178.430 0.000 . 1 . . . . 62 GLN C . 25443 1 729 . 1 1 62 62 GLN CA C 13 58.449 0.063 . 1 . . . . 62 GLN CA . 25443 1 730 . 1 1 62 62 GLN CB C 13 28.076 0.023 . 1 . . . . 62 GLN CB . 25443 1 731 . 1 1 62 62 GLN CG C 13 33.489 0.028 . 1 . . . . 62 GLN CG . 25443 1 732 . 1 1 62 62 GLN N N 15 125.812 0.049 . 1 . . . . 62 GLN N . 25443 1 733 . 1 1 62 62 GLN NE2 N 15 111.731 0.000 . 1 . . . . 62 GLN NE2 . 25443 1 734 . 1 1 63 63 ARG H H 1 8.965 0.017 . 1 . . . . 63 ARG HN . 25443 1 735 . 1 1 63 63 ARG HA H 1 3.979 0.003 . 1 . . . . 63 ARG HA . 25443 1 736 . 1 1 63 63 ARG HB2 H 1 1.780 0.000 . 2 . . . . 63 ARG HB2 . 25443 1 737 . 1 1 63 63 ARG HB3 H 1 1.829 0.001 . 2 . . . . 63 ARG HB3 . 25443 1 738 . 1 1 63 63 ARG HG2 H 1 1.637 0.000 . 2 . . . . 63 ARG HG2 . 25443 1 739 . 1 1 63 63 ARG HG3 H 1 1.694 0.000 . 2 . . . . 63 ARG HG3 . 25443 1 740 . 1 1 63 63 ARG HD2 H 1 3.200 0.007 . 2 . . . . 63 ARG HD2 . 25443 1 741 . 1 1 63 63 ARG HD3 H 1 2.507 0.005 . 2 . . . . 63 ARG HD3 . 25443 1 742 . 1 1 63 63 ARG C C 13 179.350 0.000 . 1 . . . . 63 ARG C . 25443 1 743 . 1 1 63 63 ARG CA C 13 59.398 0.041 . 1 . . . . 63 ARG CA . 25443 1 744 . 1 1 63 63 ARG CB C 13 29.466 0.067 . 1 . . . . 63 ARG CB . 25443 1 745 . 1 1 63 63 ARG CG C 13 27.302 0.001 . 1 . . . . 63 ARG CG . 25443 1 746 . 1 1 63 63 ARG CD C 13 41.712 0.070 . 1 . . . . 63 ARG CD . 25443 1 747 . 1 1 63 63 ARG N N 15 120.943 0.047 . 1 . . . . 63 ARG N . 25443 1 748 . 1 1 64 64 SER H H 1 8.065 0.016 . 1 . . . . 64 SER HN . 25443 1 749 . 1 1 64 64 SER HA H 1 3.898 0.005 . 1 . . . . 64 SER HA . 25443 1 750 . 1 1 64 64 SER HB2 H 1 3.221 0.008 . 2 . . . . 64 SER HB2 . 25443 1 751 . 1 1 64 64 SER HB3 H 1 2.381 0.006 . 2 . . . . 64 SER HB3 . 25443 1 752 . 1 1 64 64 SER C C 13 174.444 0.000 . 1 . . . . 64 SER C . 25443 1 753 . 1 1 64 64 SER CA C 13 62.459 0.058 . 1 . . . . 64 SER CA . 25443 1 754 . 1 1 64 64 SER CB C 13 62.040 0.040 . 1 . . . . 64 SER CB . 25443 1 755 . 1 1 64 64 SER N N 15 115.358 0.030 . 1 . . . . 64 SER N . 25443 1 756 . 1 1 65 65 THR H H 1 7.484 0.015 . 1 . . . . 65 THR HN . 25443 1 757 . 1 1 65 65 THR HA H 1 3.751 0.004 . 1 . . . . 65 THR HA . 25443 1 758 . 1 1 65 65 THR HB H 1 4.256 0.014 . 1 . . . . 65 THR HB . 25443 1 759 . 1 1 65 65 THR HG21 H 1 1.438 0.003 . 2 . . . . 65 THR QG2 . 25443 1 760 . 1 1 65 65 THR HG22 H 1 1.438 0.003 . 2 . . . . 65 THR QG2 . 25443 1 761 . 1 1 65 65 THR HG23 H 1 1.438 0.003 . 2 . . . . 65 THR QG2 . 25443 1 762 . 1 1 65 65 THR C C 13 175.357 0.000 . 1 . . . . 65 THR C . 25443 1 763 . 1 1 65 65 THR CA C 13 66.292 0.062 . 1 . . . . 65 THR CA . 25443 1 764 . 1 1 65 65 THR CB C 13 68.457 0.047 . 1 . . . . 65 THR CB . 25443 1 765 . 1 1 65 65 THR CG2 C 13 23.496 0.056 . 1 . . . . 65 THR CG2 . 25443 1 766 . 1 1 65 65 THR N N 15 113.614 0.122 . 1 . . . . 65 THR N . 25443 1 767 . 1 1 66 66 ILE H H 1 6.976 0.007 . 1 . . . . 66 ILE HN . 25443 1 768 . 1 1 66 66 ILE HA H 1 3.653 0.005 . 1 . . . . 66 ILE HA . 25443 1 769 . 1 1 66 66 ILE HG12 H 1 1.258 0.004 . 2 . . . . 66 ILE HG12 . 25443 1 770 . 1 1 66 66 ILE HG13 H 1 1.624 0.004 . 2 . . . . 66 ILE HG13 . 25443 1 771 . 1 1 66 66 ILE HG21 H 1 0.907 0.001 . 2 . . . . 66 ILE QG2 . 25443 1 772 . 1 1 66 66 ILE HG22 H 1 0.907 0.001 . 2 . . . . 66 ILE QG2 . 25443 1 773 . 1 1 66 66 ILE HG23 H 1 0.907 0.001 . 2 . . . . 66 ILE QG2 . 25443 1 774 . 1 1 66 66 ILE HD11 H 1 0.872 0.002 . 2 . . . . 66 ILE QD1 . 25443 1 775 . 1 1 66 66 ILE HD12 H 1 0.872 0.002 . 2 . . . . 66 ILE QD1 . 25443 1 776 . 1 1 66 66 ILE HD13 H 1 0.872 0.002 . 2 . . . . 66 ILE QD1 . 25443 1 777 . 1 1 66 66 ILE C C 13 177.518 0.000 . 1 . . . . 66 ILE C . 25443 1 778 . 1 1 66 66 ILE CA C 13 64.014 0.051 . 1 . . . . 66 ILE CA . 25443 1 779 . 1 1 66 66 ILE CB C 13 42.194 0.000 . 1 . . . . 66 ILE CB . 25443 1 780 . 1 1 66 66 ILE CG1 C 13 28.613 0.027 . 1 . . . . 66 ILE CG1 . 25443 1 781 . 1 1 66 66 ILE CG2 C 13 17.252 0.037 . 1 . . . . 66 ILE CG2 . 25443 1 782 . 1 1 66 66 ILE CD1 C 13 12.849 0.039 . 1 . . . . 66 ILE CD1 . 25443 1 783 . 1 1 66 66 ILE N N 15 120.736 0.054 . 1 . . . . 66 ILE N . 25443 1 784 . 1 1 67 67 LEU H H 1 7.006 0.010 . 1 . . . . 67 LEU HN . 25443 1 785 . 1 1 67 67 LEU HA H 1 3.921 0.007 . 1 . . . . 67 LEU HA . 25443 1 786 . 1 1 67 67 LEU HB2 H 1 1.882 0.004 . 2 . . . . 67 LEU HB2 . 25443 1 787 . 1 1 67 67 LEU HB3 H 1 1.338 0.005 . 2 . . . . 67 LEU HB3 . 25443 1 788 . 1 1 67 67 LEU HG H 1 1.675 0.010 . 1 . . . . 67 LEU HG . 25443 1 789 . 1 1 67 67 LEU HD11 H 1 0.884 0.006 . 2 . . . . 67 LEU QD1 . 25443 1 790 . 1 1 67 67 LEU HD12 H 1 0.884 0.006 . 2 . . . . 67 LEU QD1 . 25443 1 791 . 1 1 67 67 LEU HD13 H 1 0.884 0.006 . 2 . . . . 67 LEU QD1 . 25443 1 792 . 1 1 67 67 LEU HD21 H 1 0.969 0.002 . 2 . . . . 67 LEU QD2 . 25443 1 793 . 1 1 67 67 LEU HD22 H 1 0.969 0.002 . 2 . . . . 67 LEU QD2 . 25443 1 794 . 1 1 67 67 LEU HD23 H 1 0.969 0.002 . 2 . . . . 67 LEU QD2 . 25443 1 795 . 1 1 67 67 LEU C C 13 179.650 0.000 . 1 . . . . 67 LEU C . 25443 1 796 . 1 1 67 67 LEU CA C 13 57.452 0.046 . 1 . . . . 67 LEU CA . 25443 1 797 . 1 1 67 67 LEU CB C 13 42.172 0.024 . 1 . . . . 67 LEU CB . 25443 1 798 . 1 1 67 67 LEU CG C 13 26.927 0.000 . 1 . . . . 67 LEU CG . 25443 1 799 . 1 1 67 67 LEU CD1 C 13 23.057 0.022 . 2 . . . . 67 LEU CD1 . 25443 1 800 . 1 1 67 67 LEU CD2 C 13 25.359 0.078 . 2 . . . . 67 LEU CD2 . 25443 1 801 . 1 1 67 67 LEU N N 15 117.584 0.098 . 1 . . . . 67 LEU N . 25443 1 802 . 1 1 68 68 ALA H H 1 8.121 0.007 . 1 . . . . 68 ALA HN . 25443 1 803 . 1 1 68 68 ALA HA H 1 3.285 0.004 . 1 . . . . 68 ALA HA . 25443 1 804 . 1 1 68 68 ALA HB1 H 1 1.663 0.003 . 2 . . . . 68 ALA QB . 25443 1 805 . 1 1 68 68 ALA HB2 H 1 1.663 0.003 . 2 . . . . 68 ALA QB . 25443 1 806 . 1 1 68 68 ALA HB3 H 1 1.663 0.003 . 2 . . . . 68 ALA QB . 25443 1 807 . 1 1 68 68 ALA C C 13 179.216 0.000 . 1 . . . . 68 ALA C . 25443 1 808 . 1 1 68 68 ALA CA C 13 55.564 0.076 . 1 . . . . 68 ALA CA . 25443 1 809 . 1 1 68 68 ALA CB C 13 18.852 0.027 . 1 . . . . 68 ALA CB . 25443 1 810 . 1 1 68 68 ALA N N 15 121.025 0.103 . 1 . . . . 68 ALA N . 25443 1 811 . 1 1 69 69 VAL H H 1 8.012 0.010 . 1 . . . . 69 VAL HN . 25443 1 812 . 1 1 69 69 VAL HA H 1 3.243 0.003 . 1 . . . . 69 VAL HA . 25443 1 813 . 1 1 69 69 VAL HB H 1 2.078 0.008 . 1 . . . . 69 VAL HB . 25443 1 814 . 1 1 69 69 VAL HG11 H 1 0.681 0.004 . 2 . . . . 69 VAL QG1 . 25443 1 815 . 1 1 69 69 VAL HG12 H 1 0.681 0.004 . 2 . . . . 69 VAL QG1 . 25443 1 816 . 1 1 69 69 VAL HG13 H 1 0.681 0.004 . 2 . . . . 69 VAL QG1 . 25443 1 817 . 1 1 69 69 VAL HG21 H 1 0.880 0.002 . 2 . . . . 69 VAL QG2 . 25443 1 818 . 1 1 69 69 VAL HG22 H 1 0.880 0.002 . 2 . . . . 69 VAL QG2 . 25443 1 819 . 1 1 69 69 VAL HG23 H 1 0.880 0.002 . 2 . . . . 69 VAL QG2 . 25443 1 820 . 1 1 69 69 VAL C C 13 178.541 0.000 . 1 . . . . 69 VAL C . 25443 1 821 . 1 1 69 69 VAL CA C 13 67.237 0.066 . 1 . . . . 69 VAL CA . 25443 1 822 . 1 1 69 69 VAL CB C 13 31.679 0.054 . 1 . . . . 69 VAL CB . 25443 1 823 . 1 1 69 69 VAL CG1 C 13 22.670 0.009 . 2 . . . . 69 VAL CG1 . 25443 1 824 . 1 1 69 69 VAL CG2 C 13 21.405 0.081 . 2 . . . . 69 VAL CG2 . 25443 1 825 . 1 1 69 69 VAL N N 15 117.799 0.070 . 1 . . . . 69 VAL N . 25443 1 826 . 1 1 70 70 ASP H H 1 8.216 0.011 . 1 . . . . 70 ASP HN . 25443 1 827 . 1 1 70 70 ASP HA H 1 4.339 0.002 . 1 . . . . 70 ASP HA . 25443 1 828 . 1 1 70 70 ASP HB2 H 1 2.616 0.003 . 2 . . . . 70 ASP HB2 . 25443 1 829 . 1 1 70 70 ASP HB3 H 1 2.454 0.002 . 2 . . . . 70 ASP HB3 . 25443 1 830 . 1 1 70 70 ASP C C 13 178.330 0.000 . 1 . . . . 70 ASP C . 25443 1 831 . 1 1 70 70 ASP CA C 13 57.131 0.033 . 1 . . . . 70 ASP CA . 25443 1 832 . 1 1 70 70 ASP CB C 13 40.465 0.024 . 1 . . . . 70 ASP CB . 25443 1 833 . 1 1 70 70 ASP N N 15 117.013 0.071 . 1 . . . . 70 ASP N . 25443 1 834 . 1 1 71 71 ASN H H 1 7.582 0.006 . 1 . . . . 71 ASN HN . 25443 1 835 . 1 1 71 71 ASN HA H 1 4.587 0.003 . 1 . . . . 71 ASN HA . 25443 1 836 . 1 1 71 71 ASN HB2 H 1 2.331 0.006 . 2 . . . . 71 ASN HB2 . 25443 1 837 . 1 1 71 71 ASN HB3 H 1 2.036 0.012 . 2 . . . . 71 ASN HB3 . 25443 1 838 . 1 1 71 71 ASN HD21 H 1 7.367 0.000 . 2 . . . . 71 ASN HD21 . 25443 1 839 . 1 1 71 71 ASN HD22 H 1 7.497 0.000 . 2 . . . . 71 ASN HD22 . 25443 1 840 . 1 1 71 71 ASN C C 13 176.314 0.000 . 1 . . . . 71 ASN C . 25443 1 841 . 1 1 71 71 ASN CA C 13 55.474 0.042 . 1 . . . . 71 ASN CA . 25443 1 842 . 1 1 71 71 ASN CB C 13 40.592 0.058 . 1 . . . . 71 ASN CB . 25443 1 843 . 1 1 71 71 ASN N N 15 112.777 0.070 . 1 . . . . 71 ASN N . 25443 1 844 . 1 1 71 71 ASN ND2 N 15 115.414 0.003 . 1 . . . . 71 ASN ND2 . 25443 1 845 . 1 1 72 72 LEU H H 1 8.201 0.009 . 1 . . . . 72 LEU HN . 25443 1 846 . 1 1 72 72 LEU HA H 1 4.494 0.007 . 1 . . . . 72 LEU HA . 25443 1 847 . 1 1 72 72 LEU HB2 H 1 1.161 0.012 . 2 . . . . 72 LEU HB2 . 25443 1 848 . 1 1 72 72 LEU HB3 H 1 1.741 0.008 . 2 . . . . 72 LEU HB3 . 25443 1 849 . 1 1 72 72 LEU HG H 1 0.961 0.007 . 1 . . . . 72 LEU HG . 25443 1 850 . 1 1 72 72 LEU HD11 H 1 -0.041 0.002 . 2 . . . . 72 LEU QD1 . 25443 1 851 . 1 1 72 72 LEU HD12 H 1 -0.041 0.002 . 2 . . . . 72 LEU QD1 . 25443 1 852 . 1 1 72 72 LEU HD13 H 1 -0.041 0.002 . 2 . . . . 72 LEU QD1 . 25443 1 853 . 1 1 72 72 LEU HD21 H 1 0.208 0.002 . 2 . . . . 72 LEU QD2 . 25443 1 854 . 1 1 72 72 LEU HD22 H 1 0.208 0.002 . 2 . . . . 72 LEU QD2 . 25443 1 855 . 1 1 72 72 LEU HD23 H 1 0.208 0.002 . 2 . . . . 72 LEU QD2 . 25443 1 856 . 1 1 72 72 LEU C C 13 177.500 0.000 . 1 . . . . 72 LEU C . 25443 1 857 . 1 1 72 72 LEU CA C 13 54.590 0.060 . 1 . . . . 72 LEU CA . 25443 1 858 . 1 1 72 72 LEU CB C 13 42.862 0.048 . 1 . . . . 72 LEU CB . 25443 1 859 . 1 1 72 72 LEU CG C 13 26.527 0.023 . 1 . . . . 72 LEU CG . 25443 1 860 . 1 1 72 72 LEU CD1 C 13 26.446 0.054 . 2 . . . . 72 LEU CD1 . 25443 1 861 . 1 1 72 72 LEU CD2 C 13 22.606 0.036 . 2 . . . . 72 LEU CD2 . 25443 1 862 . 1 1 72 72 LEU N N 15 116.551 0.066 . 1 . . . . 72 LEU N . 25443 1 863 . 1 1 73 73 ASN H H 1 7.406 0.008 . 1 . . . . 73 ASN HN . 25443 1 864 . 1 1 73 73 ASN HA H 1 4.392 0.003 . 1 . . . . 73 ASN HA . 25443 1 865 . 1 1 73 73 ASN HB2 H 1 2.928 0.003 . 2 . . . . 73 ASN HB2 . 25443 1 866 . 1 1 73 73 ASN HB3 H 1 2.928 0.003 . 2 . . . . 73 ASN HB3 . 25443 1 867 . 1 1 73 73 ASN HD21 H 1 7.992 0.003 . 2 . . . . 73 ASN HD21 . 25443 1 868 . 1 1 73 73 ASN HD22 H 1 7.207 0.004 . 2 . . . . 73 ASN HD22 . 25443 1 869 . 1 1 73 73 ASN C C 13 177.151 0.000 . 1 . . . . 73 ASN C . 25443 1 870 . 1 1 73 73 ASN CA C 13 56.276 0.037 . 1 . . . . 73 ASN CA . 25443 1 871 . 1 1 73 73 ASN CB C 13 38.853 0.043 . 1 . . . . 73 ASN CB . 25443 1 872 . 1 1 73 73 ASN N N 15 118.974 0.051 . 1 . . . . 73 ASN N . 25443 1 873 . 1 1 73 73 ASN ND2 N 15 114.885 0.013 . 1 . . . . 73 ASN ND2 . 25443 1 874 . 1 1 74 74 GLY H H 1 9.106 0.012 . 1 . . . . 74 GLY HN . 25443 1 875 . 1 1 74 74 GLY HA2 H 1 3.577 0.006 . 2 . . . . 74 GLY HA2 . 25443 1 876 . 1 1 74 74 GLY HA3 H 1 4.304 0.007 . 2 . . . . 74 GLY HA3 . 25443 1 877 . 1 1 74 74 GLY C C 13 172.756 0.000 . 1 . . . . 74 GLY C . 25443 1 878 . 1 1 74 74 GLY CA C 13 45.662 0.041 . 1 . . . . 74 GLY CA . 25443 1 879 . 1 1 74 74 GLY N N 15 116.478 0.060 . 1 . . . . 74 GLY N . 25443 1 880 . 1 1 75 75 PHE H H 1 8.074 0.007 . 1 . . . . 75 PHE HN . 25443 1 881 . 1 1 75 75 PHE HA H 1 4.328 0.002 . 1 . . . . 75 PHE HA . 25443 1 882 . 1 1 75 75 PHE HB2 H 1 3.070 0.007 . 2 . . . . 75 PHE HB2 . 25443 1 883 . 1 1 75 75 PHE HB3 H 1 3.070 0.007 . 2 . . . . 75 PHE HB3 . 25443 1 884 . 1 1 75 75 PHE HD1 H 1 7.058 0.004 . 3 . . . . 75 PHE QD . 25443 1 885 . 1 1 75 75 PHE HD2 H 1 7.058 0.004 . 3 . . . . 75 PHE QD . 25443 1 886 . 1 1 75 75 PHE HE1 H 1 7.217 0.002 . 3 . . . . 75 PHE QE . 25443 1 887 . 1 1 75 75 PHE HE2 H 1 7.217 0.002 . 3 . . . . 75 PHE QE . 25443 1 888 . 1 1 75 75 PHE HZ H 1 7.246 0.001 . 1 . . . . 75 PHE HZ . 25443 1 889 . 1 1 75 75 PHE C C 13 175.065 0.000 . 1 . . . . 75 PHE C . 25443 1 890 . 1 1 75 75 PHE CA C 13 58.371 0.053 . 1 . . . . 75 PHE CA . 25443 1 891 . 1 1 75 75 PHE CB C 13 40.947 0.045 . 1 . . . . 75 PHE CB . 25443 1 892 . 1 1 75 75 PHE CD1 C 13 131.744 0.021 . 3 . . . . 75 PHE CD1 . 25443 1 893 . 1 1 75 75 PHE CD2 C 13 131.744 0.021 . 3 . . . . 75 PHE CD2 . 25443 1 894 . 1 1 75 75 PHE CE1 C 13 131.204 0.022 . 3 . . . . 75 PHE CE1 . 25443 1 895 . 1 1 75 75 PHE CE2 C 13 131.204 0.022 . 3 . . . . 75 PHE CE2 . 25443 1 896 . 1 1 75 75 PHE CZ C 13 129.743 0.034 . 1 . . . . 75 PHE CZ . 25443 1 897 . 1 1 75 75 PHE N N 15 123.853 0.054 . 1 . . . . 75 PHE N . 25443 1 898 . 1 1 76 76 LYS H H 1 7.766 0.012 . 1 . . . . 76 LYS HN . 25443 1 899 . 1 1 76 76 LYS HA H 1 4.536 0.005 . 1 . . . . 76 LYS HA . 25443 1 900 . 1 1 76 76 LYS HB2 H 1 1.183 0.003 . 2 . . . . 76 LYS HB2 . 25443 1 901 . 1 1 76 76 LYS HB3 H 1 1.436 0.005 . 2 . . . . 76 LYS HB3 . 25443 1 902 . 1 1 76 76 LYS HG2 H 1 1.284 0.005 . 2 . . . . 76 LYS HG2 . 25443 1 903 . 1 1 76 76 LYS HG3 H 1 0.827 0.009 . 2 . . . . 76 LYS HG3 . 25443 1 904 . 1 1 76 76 LYS HD2 H 1 1.459 0.012 . 2 . . . . 76 LYS HD2 . 25443 1 905 . 1 1 76 76 LYS HD3 H 1 1.459 0.012 . 2 . . . . 76 LYS HD3 . 25443 1 906 . 1 1 76 76 LYS HE2 H 1 2.810 0.012 . 2 . . . . 76 LYS HE2 . 25443 1 907 . 1 1 76 76 LYS HE3 H 1 2.810 0.012 . 2 . . . . 76 LYS HE3 . 25443 1 908 . 1 1 76 76 LYS C C 13 175.395 0.000 . 1 . . . . 76 LYS C . 25443 1 909 . 1 1 76 76 LYS CA C 13 56.227 0.021 . 1 . . . . 76 LYS CA . 25443 1 910 . 1 1 76 76 LYS CB C 13 32.969 0.039 . 1 . . . . 76 LYS CB . 25443 1 911 . 1 1 76 76 LYS CG C 13 25.454 0.051 . 1 . . . . 76 LYS CG . 25443 1 912 . 1 1 76 76 LYS CD C 13 29.403 0.037 . 1 . . . . 76 LYS CD . 25443 1 913 . 1 1 76 76 LYS CE C 13 41.737 0.025 . 1 . . . . 76 LYS CE . 25443 1 914 . 1 1 76 76 LYS N N 15 126.700 0.055 . 1 . . . . 76 LYS N . 25443 1 915 . 1 1 77 77 ILE H H 1 8.005 0.007 . 1 . . . . 77 ILE HN . 25443 1 916 . 1 1 77 77 ILE HA H 1 4.231 0.003 . 1 . . . . 77 ILE HA . 25443 1 917 . 1 1 77 77 ILE HB H 1 1.727 0.003 . 1 . . . . 77 ILE HB . 25443 1 918 . 1 1 77 77 ILE HG12 H 1 1.543 0.003 . 2 . . . . 77 ILE HG12 . 25443 1 919 . 1 1 77 77 ILE HG13 H 1 1.128 0.005 . 2 . . . . 77 ILE HG13 . 25443 1 920 . 1 1 77 77 ILE HG21 H 1 0.828 0.006 . 2 . . . . 77 ILE QG2 . 25443 1 921 . 1 1 77 77 ILE HG22 H 1 0.828 0.006 . 2 . . . . 77 ILE QG2 . 25443 1 922 . 1 1 77 77 ILE HG23 H 1 0.828 0.006 . 2 . . . . 77 ILE QG2 . 25443 1 923 . 1 1 77 77 ILE HD11 H 1 0.920 0.003 . 2 . . . . 77 ILE QD1 . 25443 1 924 . 1 1 77 77 ILE HD12 H 1 0.920 0.003 . 2 . . . . 77 ILE QD1 . 25443 1 925 . 1 1 77 77 ILE HD13 H 1 0.920 0.003 . 2 . . . . 77 ILE QD1 . 25443 1 926 . 1 1 77 77 ILE C C 13 177.605 0.000 . 1 . . . . 77 ILE C . 25443 1 927 . 1 1 77 77 ILE CA C 13 59.981 0.084 . 1 . . . . 77 ILE CA . 25443 1 928 . 1 1 77 77 ILE CB C 13 40.409 0.056 . 1 . . . . 77 ILE CB . 25443 1 929 . 1 1 77 77 ILE CG1 C 13 26.804 0.086 . 1 . . . . 77 ILE CG1 . 25443 1 930 . 1 1 77 77 ILE CG2 C 13 18.215 0.049 . 1 . . . . 77 ILE CG2 . 25443 1 931 . 1 1 77 77 ILE CD1 C 13 13.991 0.086 . 1 . . . . 77 ILE CD1 . 25443 1 932 . 1 1 77 77 ILE N N 15 120.686 0.077 . 1 . . . . 77 ILE N . 25443 1 933 . 1 1 78 78 GLY H H 1 9.800 0.012 . 1 . . . . 78 GLY HN . 25443 1 934 . 1 1 78 78 GLY HA2 H 1 3.552 0.004 . 2 . . . . 78 GLY HA2 . 25443 1 935 . 1 1 78 78 GLY HA3 H 1 3.960 0.006 . 2 . . . . 78 GLY HA3 . 25443 1 936 . 1 1 78 78 GLY C C 13 175.639 0.000 . 1 . . . . 78 GLY C . 25443 1 937 . 1 1 78 78 GLY CA C 13 47.227 0.029 . 1 . . . . 78 GLY CA . 25443 1 938 . 1 1 78 78 GLY N N 15 118.352 0.045 . 1 . . . . 78 GLY N . 25443 1 939 . 1 1 79 79 GLY H H 1 8.795 0.013 . 1 . . . . 79 GLY HN . 25443 1 940 . 1 1 79 79 GLY HA2 H 1 3.531 0.008 . 2 . . . . 79 GLY HA2 . 25443 1 941 . 1 1 79 79 GLY HA3 H 1 4.114 0.003 . 2 . . . . 79 GLY HA3 . 25443 1 942 . 1 1 79 79 GLY C C 13 173.371 0.000 . 1 . . . . 79 GLY C . 25443 1 943 . 1 1 79 79 GLY CA C 13 45.037 0.065 . 1 . . . . 79 GLY CA . 25443 1 944 . 1 1 79 79 GLY N N 15 104.167 0.055 . 1 . . . . 79 GLY N . 25443 1 945 . 1 1 80 80 ARG H H 1 7.281 0.006 . 1 . . . . 80 ARG HN . 25443 1 946 . 1 1 80 80 ARG HA H 1 4.590 0.004 . 1 . . . . 80 ARG HA . 25443 1 947 . 1 1 80 80 ARG HB2 H 1 1.978 0.004 . 2 . . . . 80 ARG HB2 . 25443 1 948 . 1 1 80 80 ARG HB3 H 1 1.758 0.005 . 2 . . . . 80 ARG HB3 . 25443 1 949 . 1 1 80 80 ARG HG2 H 1 1.507 0.002 . 2 . . . . 80 ARG HG2 . 25443 1 950 . 1 1 80 80 ARG HG3 H 1 1.488 0.004 . 2 . . . . 80 ARG HG3 . 25443 1 951 . 1 1 80 80 ARG HD2 H 1 3.015 0.006 . 2 . . . . 80 ARG HD2 . 25443 1 952 . 1 1 80 80 ARG HD3 H 1 2.841 0.005 . 2 . . . . 80 ARG HD3 . 25443 1 953 . 1 1 80 80 ARG C C 13 174.563 0.000 . 1 . . . . 80 ARG C . 25443 1 954 . 1 1 80 80 ARG CA C 13 54.615 0.069 . 1 . . . . 80 ARG CA . 25443 1 955 . 1 1 80 80 ARG CB C 13 33.487 0.042 . 1 . . . . 80 ARG CB . 25443 1 956 . 1 1 80 80 ARG CG C 13 27.403 0.025 . 1 . . . . 80 ARG CG . 25443 1 957 . 1 1 80 80 ARG CD C 13 43.005 0.036 . 1 . . . . 80 ARG CD . 25443 1 958 . 1 1 80 80 ARG N N 15 119.090 0.055 . 1 . . . . 80 ARG N . 25443 1 959 . 1 1 81 81 ALA H H 1 8.651 0.013 . 1 . . . . 81 ALA HN . 25443 1 960 . 1 1 81 81 ALA HA H 1 4.216 0.003 . 1 . . . . 81 ALA HA . 25443 1 961 . 1 1 81 81 ALA HB1 H 1 1.135 0.001 . 2 . . . . 81 ALA QB . 25443 1 962 . 1 1 81 81 ALA HB2 H 1 1.135 0.001 . 2 . . . . 81 ALA QB . 25443 1 963 . 1 1 81 81 ALA HB3 H 1 1.135 0.001 . 2 . . . . 81 ALA QB . 25443 1 964 . 1 1 81 81 ALA C C 13 177.149 0.000 . 1 . . . . 81 ALA C . 25443 1 965 . 1 1 81 81 ALA CA C 13 51.081 0.053 . 1 . . . . 81 ALA CA . 25443 1 966 . 1 1 81 81 ALA CB C 13 19.226 0.048 . 1 . . . . 81 ALA CB . 25443 1 967 . 1 1 81 81 ALA N N 15 126.039 0.052 . 1 . . . . 81 ALA N . 25443 1 968 . 1 1 82 82 LEU H H 1 8.805 0.009 . 1 . . . . 82 LEU HN . 25443 1 969 . 1 1 82 82 LEU HA H 1 4.390 0.008 . 1 . . . . 82 LEU HA . 25443 1 970 . 1 1 82 82 LEU HB2 H 1 2.376 0.006 . 2 . . . . 82 LEU HB2 . 25443 1 971 . 1 1 82 82 LEU HB3 H 1 1.256 0.007 . 2 . . . . 82 LEU HB3 . 25443 1 972 . 1 1 82 82 LEU HG H 1 2.242 0.004 . 1 . . . . 82 LEU HG . 25443 1 973 . 1 1 82 82 LEU HD11 H 1 1.054 0.002 . 2 . . . . 82 LEU QD1 . 25443 1 974 . 1 1 82 82 LEU HD12 H 1 1.054 0.002 . 2 . . . . 82 LEU QD1 . 25443 1 975 . 1 1 82 82 LEU HD13 H 1 1.054 0.002 . 2 . . . . 82 LEU QD1 . 25443 1 976 . 1 1 82 82 LEU HD21 H 1 0.846 0.003 . 2 . . . . 82 LEU QD2 . 25443 1 977 . 1 1 82 82 LEU HD22 H 1 0.846 0.003 . 2 . . . . 82 LEU QD2 . 25443 1 978 . 1 1 82 82 LEU HD23 H 1 0.846 0.003 . 2 . . . . 82 LEU QD2 . 25443 1 979 . 1 1 82 82 LEU C C 13 177.498 0.000 . 1 . . . . 82 LEU C . 25443 1 980 . 1 1 82 82 LEU CA C 13 56.065 0.075 . 1 . . . . 82 LEU CA . 25443 1 981 . 1 1 82 82 LEU CB C 13 43.267 0.021 . 1 . . . . 82 LEU CB . 25443 1 982 . 1 1 82 82 LEU CG C 13 26.931 0.011 . 1 . . . . 82 LEU CG . 25443 1 983 . 1 1 82 82 LEU CD1 C 13 26.271 0.045 . 2 . . . . 82 LEU CD1 . 25443 1 984 . 1 1 82 82 LEU CD2 C 13 23.783 0.044 . 2 . . . . 82 LEU CD2 . 25443 1 985 . 1 1 82 82 LEU N N 15 125.451 0.041 . 1 . . . . 82 LEU N . 25443 1 986 . 1 1 83 83 LYS H H 1 7.768 0.009 . 1 . . . . 83 LYS HN . 25443 1 987 . 1 1 83 83 LYS C C 13 174.892 0.000 . 1 . . . . 83 LYS C . 25443 1 988 . 1 1 83 83 LYS CA C 13 54.892 0.009 . 1 . . . . 83 LYS CA . 25443 1 989 . 1 1 83 83 LYS N N 15 123.253 0.075 . 1 . . . . 83 LYS N . 25443 1 990 . 1 1 84 84 ILE H H 1 8.616 0.011 . 1 . . . . 84 ILE HN . 25443 1 991 . 1 1 84 84 ILE HA H 1 5.581 0.003 . 1 . . . . 84 ILE HA . 25443 1 992 . 1 1 84 84 ILE HB H 1 1.589 0.006 . 1 . . . . 84 ILE HB . 25443 1 993 . 1 1 84 84 ILE HG12 H 1 1.131 0.003 . 2 . . . . 84 ILE HG12 . 25443 1 994 . 1 1 84 84 ILE HG13 H 1 1.518 0.003 . 2 . . . . 84 ILE HG13 . 25443 1 995 . 1 1 84 84 ILE HG21 H 1 0.851 0.003 . 2 . . . . 84 ILE QG2 . 25443 1 996 . 1 1 84 84 ILE HG22 H 1 0.851 0.003 . 2 . . . . 84 ILE QG2 . 25443 1 997 . 1 1 84 84 ILE HG23 H 1 0.851 0.003 . 2 . . . . 84 ILE QG2 . 25443 1 998 . 1 1 84 84 ILE HD11 H 1 0.925 0.002 . 2 . . . . 84 ILE QD1 . 25443 1 999 . 1 1 84 84 ILE HD12 H 1 0.925 0.002 . 2 . . . . 84 ILE QD1 . 25443 1 1000 . 1 1 84 84 ILE HD13 H 1 0.925 0.002 . 2 . . . . 84 ILE QD1 . 25443 1 1001 . 1 1 84 84 ILE C C 13 174.901 0.000 . 1 . . . . 84 ILE C . 25443 1 1002 . 1 1 84 84 ILE CA C 13 58.803 0.060 . 1 . . . . 84 ILE CA . 25443 1 1003 . 1 1 84 84 ILE CB C 13 40.306 0.014 . 1 . . . . 84 ILE CB . 25443 1 1004 . 1 1 84 84 ILE CG1 C 13 27.782 0.041 . 1 . . . . 84 ILE CG1 . 25443 1 1005 . 1 1 84 84 ILE CG2 C 13 19.605 0.059 . 1 . . . . 84 ILE CG2 . 25443 1 1006 . 1 1 84 84 ILE CD1 C 13 14.459 0.041 . 1 . . . . 84 ILE CD1 . 25443 1 1007 . 1 1 84 84 ILE N N 15 125.577 0.052 . 1 . . . . 84 ILE N . 25443 1 1008 . 1 1 85 85 ASP H H 1 8.907 0.009 . 1 . . . . 85 ASP HN . 25443 1 1009 . 1 1 85 85 ASP HA H 1 4.909 0.006 . 1 . . . . 85 ASP HA . 25443 1 1010 . 1 1 85 85 ASP HB2 H 1 2.458 0.004 . 2 . . . . 85 ASP HB2 . 25443 1 1011 . 1 1 85 85 ASP HB3 H 1 2.672 0.006 . 2 . . . . 85 ASP HB3 . 25443 1 1012 . 1 1 85 85 ASP C C 13 174.826 0.000 . 1 . . . . 85 ASP C . 25443 1 1013 . 1 1 85 85 ASP CA C 13 52.372 0.049 . 1 . . . . 85 ASP CA . 25443 1 1014 . 1 1 85 85 ASP CB C 13 45.290 0.053 . 1 . . . . 85 ASP CB . 25443 1 1015 . 1 1 85 85 ASP N N 15 125.373 0.092 . 1 . . . . 85 ASP N . 25443 1 1016 . 1 1 86 86 HIS H H 1 8.970 0.012 . 1 . . . . 86 HIS HN . 25443 1 1017 . 1 1 86 86 HIS HB2 H 1 3.214 0.006 . 2 . . . . 86 HIS HB2 . 25443 1 1018 . 1 1 86 86 HIS HB3 H 1 2.961 0.007 . 2 . . . . 86 HIS HB3 . 25443 1 1019 . 1 1 86 86 HIS HD2 H 1 7.065 0.001 . 1 . . . . 86 HIS HD2 . 25443 1 1020 . 1 1 86 86 HIS HE1 H 1 7.468 0.002 . 1 . . . . 86 HIS HE1 . 25443 1 1021 . 1 1 86 86 HIS CA C 13 57.540 0.008 . 1 . . . . 86 HIS CA . 25443 1 1022 . 1 1 86 86 HIS CB C 13 30.985 0.115 . 1 . . . . 86 HIS CB . 25443 1 1023 . 1 1 86 86 HIS CD2 C 13 121.014 0.042 . 1 . . . . 86 HIS CD2 . 25443 1 1024 . 1 1 86 86 HIS CE1 C 13 137.353 0.037 . 1 . . . . 86 HIS CE1 . 25443 1 1025 . 1 1 86 86 HIS N N 15 121.396 0.078 . 1 . . . . 86 HIS N . 25443 1 1026 . 1 1 87 87 THR H H 1 8.557 0.013 . 1 . . . . 87 THR HN . 25443 1 1027 . 1 1 87 87 THR HA H 1 4.652 0.001 . 1 . . . . 87 THR HA . 25443 1 1028 . 1 1 87 87 THR HB H 1 4.001 0.004 . 1 . . . . 87 THR HB . 25443 1 1029 . 1 1 87 87 THR HG21 H 1 1.131 0.003 . 2 . . . . 87 THR QG2 . 25443 1 1030 . 1 1 87 87 THR HG22 H 1 1.131 0.003 . 2 . . . . 87 THR QG2 . 25443 1 1031 . 1 1 87 87 THR HG23 H 1 1.131 0.003 . 2 . . . . 87 THR QG2 . 25443 1 1032 . 1 1 87 87 THR C C 13 171.272 0.000 . 1 . . . . 87 THR C . 25443 1 1033 . 1 1 87 87 THR CA C 13 60.710 0.043 . 1 . . . . 87 THR CA . 25443 1 1034 . 1 1 87 87 THR CB C 13 69.764 0.026 . 1 . . . . 87 THR CB . 25443 1 1035 . 1 1 87 87 THR CG2 C 13 20.283 0.062 . 1 . . . . 87 THR CG2 . 25443 1 1036 . 1 1 87 87 THR N N 15 116.761 0.051 . 1 . . . . 87 THR N . 25443 1 1037 . 1 1 88 88 PHE H H 1 8.114 0.013 . 1 . . . . 88 PHE HN . 25443 1 1038 . 1 1 88 88 PHE HA H 1 5.273 0.010 . 1 . . . . 88 PHE HA . 25443 1 1039 . 1 1 88 88 PHE HB2 H 1 2.825 0.008 . 2 . . . . 88 PHE HB2 . 25443 1 1040 . 1 1 88 88 PHE HB3 H 1 3.016 0.004 . 2 . . . . 88 PHE HB3 . 25443 1 1041 . 1 1 88 88 PHE HD1 H 1 7.092 0.005 . 3 . . . . 88 PHE QD . 25443 1 1042 . 1 1 88 88 PHE HD2 H 1 7.092 0.005 . 3 . . . . 88 PHE QD . 25443 1 1043 . 1 1 88 88 PHE HE1 H 1 7.234 0.008 . 3 . . . . 88 PHE QE . 25443 1 1044 . 1 1 88 88 PHE HE2 H 1 7.234 0.008 . 3 . . . . 88 PHE QE . 25443 1 1045 . 1 1 88 88 PHE HZ H 1 7.223 0.004 . 1 . . . . 88 PHE HZ . 25443 1 1046 . 1 1 88 88 PHE C C 13 174.288 0.000 . 1 . . . . 88 PHE C . 25443 1 1047 . 1 1 88 88 PHE CA C 13 55.959 0.084 . 1 . . . . 88 PHE CA . 25443 1 1048 . 1 1 88 88 PHE CB C 13 41.079 0.074 . 1 . . . . 88 PHE CB . 25443 1 1049 . 1 1 88 88 PHE CD1 C 13 131.824 0.019 . 3 . . . . 88 PHE CD1 . 25443 1 1050 . 1 1 88 88 PHE CD2 C 13 131.824 0.019 . 3 . . . . 88 PHE CD2 . 25443 1 1051 . 1 1 88 88 PHE CE1 C 13 131.205 0.045 . 3 . . . . 88 PHE CE1 . 25443 1 1052 . 1 1 88 88 PHE CE2 C 13 131.205 0.045 . 3 . . . . 88 PHE CE2 . 25443 1 1053 . 1 1 88 88 PHE CZ C 13 129.731 0.030 . 1 . . . . 88 PHE CZ . 25443 1 1054 . 1 1 88 88 PHE N N 15 120.343 0.085 . 1 . . . . 88 PHE N . 25443 1 1055 . 1 1 89 89 TYR H H 1 8.176 0.014 . 1 . . . . 89 TYR HN . 25443 1 1056 . 1 1 89 89 TYR HA H 1 4.026 0.004 . 1 . . . . 89 TYR HA . 25443 1 1057 . 1 1 89 89 TYR HB2 H 1 1.445 0.003 . 2 . . . . 89 TYR HB2 . 25443 1 1058 . 1 1 89 89 TYR HB3 H 1 1.280 0.000 . 2 . . . . 89 TYR HB3 . 25443 1 1059 . 1 1 89 89 TYR HD1 H 1 5.578 0.004 . 3 . . . . 89 TYR QD . 25443 1 1060 . 1 1 89 89 TYR HD2 H 1 5.578 0.004 . 3 . . . . 89 TYR QD . 25443 1 1061 . 1 1 89 89 TYR HE1 H 1 6.190 0.003 . 3 . . . . 89 TYR QE . 25443 1 1062 . 1 1 89 89 TYR HE2 H 1 6.190 0.003 . 3 . . . . 89 TYR QE . 25443 1 1063 . 1 1 89 89 TYR C C 13 173.155 0.000 . 1 . . . . 89 TYR C . 25443 1 1064 . 1 1 89 89 TYR CA C 13 57.493 0.076 . 1 . . . . 89 TYR CA . 25443 1 1065 . 1 1 89 89 TYR CB C 13 39.829 0.010 . 1 . . . . 89 TYR CB . 25443 1 1066 . 1 1 89 89 TYR CD1 C 13 131.747 0.071 . 3 . . . . 89 TYR CD1 . 25443 1 1067 . 1 1 89 89 TYR CD2 C 13 131.747 0.071 . 3 . . . . 89 TYR CD2 . 25443 1 1068 . 1 1 89 89 TYR CE1 C 13 117.118 0.040 . 3 . . . . 89 TYR CE1 . 25443 1 1069 . 1 1 89 89 TYR CE2 C 13 117.118 0.040 . 3 . . . . 89 TYR CE2 . 25443 1 1070 . 1 1 89 89 TYR N N 15 123.043 0.063 . 1 . . . . 89 TYR N . 25443 1 1071 . 1 1 90 90 ARG H H 1 7.078 0.016 . 1 . . . . 90 ARG HN . 25443 1 1072 . 1 1 90 90 ARG HA H 1 4.398 0.004 . 1 . . . . 90 ARG HA . 25443 1 1073 . 1 1 90 90 ARG HB2 H 1 1.348 0.017 . 2 . . . . 90 ARG HB2 . 25443 1 1074 . 1 1 90 90 ARG HB3 H 1 1.451 0.003 . 2 . . . . 90 ARG HB3 . 25443 1 1075 . 1 1 90 90 ARG HG2 H 1 1.344 0.002 . 2 . . . . 90 ARG HG2 . 25443 1 1076 . 1 1 90 90 ARG HG3 H 1 1.392 0.002 . 2 . . . . 90 ARG HG3 . 25443 1 1077 . 1 1 90 90 ARG HD2 H 1 3.012 0.003 . 2 . . . . 90 ARG HD2 . 25443 1 1078 . 1 1 90 90 ARG HD3 H 1 3.012 0.003 . 2 . . . . 90 ARG HD3 . 25443 1 1079 . 1 1 90 90 ARG CA C 13 51.548 0.022 . 1 . . . . 90 ARG CA . 25443 1 1080 . 1 1 90 90 ARG CB C 13 30.882 0.037 . 1 . . . . 90 ARG CB . 25443 1 1081 . 1 1 90 90 ARG CG C 13 26.872 0.075 . 1 . . . . 90 ARG CG . 25443 1 1082 . 1 1 90 90 ARG CD C 13 43.257 0.060 . 1 . . . . 90 ARG CD . 25443 1 1083 . 1 1 90 90 ARG N N 15 129.004 0.053 . 1 . . . . 90 ARG N . 25443 1 1084 . 1 1 91 91 PRO HA H 1 4.155 0.004 . 1 . . . . 91 PRO HA . 25443 1 1085 . 1 1 91 91 PRO HB2 H 1 2.072 0.006 . 2 . . . . 91 PRO HB2 . 25443 1 1086 . 1 1 91 91 PRO HB3 H 1 1.749 0.003 . 2 . . . . 91 PRO HB3 . 25443 1 1087 . 1 1 91 91 PRO HG2 H 1 1.749 0.002 . 2 . . . . 91 PRO HG2 . 25443 1 1088 . 1 1 91 91 PRO HG3 H 1 1.749 0.002 . 2 . . . . 91 PRO HG3 . 25443 1 1089 . 1 1 91 91 PRO HD2 H 1 3.477 0.007 . 2 . . . . 91 PRO HD2 . 25443 1 1090 . 1 1 91 91 PRO HD3 H 1 3.382 0.004 . 2 . . . . 91 PRO HD3 . 25443 1 1091 . 1 1 91 91 PRO C C 13 176.340 0.000 . 1 . . . . 91 PRO C . 25443 1 1092 . 1 1 91 91 PRO CA C 13 62.454 0.049 . 1 . . . . 91 PRO CA . 25443 1 1093 . 1 1 91 91 PRO CB C 13 33.072 0.037 . 1 . . . . 91 PRO CB . 25443 1 1094 . 1 1 91 91 PRO CG C 13 26.935 0.018 . 1 . . . . 91 PRO CG . 25443 1 1095 . 1 1 91 91 PRO CD C 13 50.770 0.036 . 1 . . . . 91 PRO CD . 25443 1 1096 . 1 1 92 92 LYS H H 1 8.644 0.012 . 1 . . . . 92 LYS HN . 25443 1 1097 . 1 1 92 92 LYS CA C 13 54.711 0.000 . 1 . . . . 92 LYS CA . 25443 1 1098 . 1 1 92 92 LYS N N 15 119.682 0.096 . 1 . . . . 92 LYS N . 25443 1 1099 . 1 1 93 93 ARG C C 13 178.899 0.000 . 1 . . . . 93 ARG C . 25443 1 1100 . 1 1 93 93 ARG CA C 13 59.125 0.000 . 1 . . . . 93 ARG CA . 25443 1 1101 . 1 1 94 94 SER H H 1 8.299 0.013 . 1 . . . . 94 SER HN . 25443 1 1102 . 1 1 94 94 SER HA H 1 4.176 0.005 . 1 . . . . 94 SER HA . 25443 1 1103 . 1 1 94 94 SER HB2 H 1 3.948 0.005 . 2 . . . . 94 SER HB2 . 25443 1 1104 . 1 1 94 94 SER HB3 H 1 3.805 0.002 . 2 . . . . 94 SER HB3 . 25443 1 1105 . 1 1 94 94 SER C C 13 175.776 0.000 . 1 . . . . 94 SER C . 25443 1 1106 . 1 1 94 94 SER CA C 13 60.031 0.043 . 1 . . . . 94 SER CA . 25443 1 1107 . 1 1 94 94 SER CB C 13 62.152 0.033 . 1 . . . . 94 SER CB . 25443 1 1108 . 1 1 94 94 SER N N 15 112.166 0.053 . 1 . . . . 94 SER N . 25443 1 1109 . 1 1 95 95 LEU H H 1 7.159 0.006 . 1 . . . . 95 LEU HN . 25443 1 1110 . 1 1 95 95 LEU HA H 1 4.651 0.004 . 1 . . . . 95 LEU HA . 25443 1 1111 . 1 1 95 95 LEU HB2 H 1 1.405 0.004 . 2 . . . . 95 LEU HB2 . 25443 1 1112 . 1 1 95 95 LEU HB3 H 1 1.002 0.007 . 2 . . . . 95 LEU HB3 . 25443 1 1113 . 1 1 95 95 LEU HG H 1 1.304 0.004 . 1 . . . . 95 LEU HG . 25443 1 1114 . 1 1 95 95 LEU HD11 H 1 0.716 0.003 . 2 . . . . 95 LEU QD1 . 25443 1 1115 . 1 1 95 95 LEU HD12 H 1 0.716 0.003 . 2 . . . . 95 LEU QD1 . 25443 1 1116 . 1 1 95 95 LEU HD13 H 1 0.716 0.003 . 2 . . . . 95 LEU QD1 . 25443 1 1117 . 1 1 95 95 LEU HD21 H 1 0.457 0.003 . 2 . . . . 95 LEU QD2 . 25443 1 1118 . 1 1 95 95 LEU HD22 H 1 0.457 0.003 . 2 . . . . 95 LEU QD2 . 25443 1 1119 . 1 1 95 95 LEU HD23 H 1 0.457 0.003 . 2 . . . . 95 LEU QD2 . 25443 1 1120 . 1 1 95 95 LEU C C 13 175.381 0.000 . 1 . . . . 95 LEU C . 25443 1 1121 . 1 1 95 95 LEU CA C 13 53.934 0.044 . 1 . . . . 95 LEU CA . 25443 1 1122 . 1 1 95 95 LEU CB C 13 41.861 0.029 . 1 . . . . 95 LEU CB . 25443 1 1123 . 1 1 95 95 LEU CG C 13 26.699 0.040 . 1 . . . . 95 LEU CG . 25443 1 1124 . 1 1 95 95 LEU CD1 C 13 25.666 0.036 . 2 . . . . 95 LEU CD1 . 25443 1 1125 . 1 1 95 95 LEU CD2 C 13 22.550 0.050 . 2 . . . . 95 LEU CD2 . 25443 1 1126 . 1 1 95 95 LEU N N 15 122.179 0.049 . 1 . . . . 95 LEU N . 25443 1 1127 . 1 1 96 96 GLN H H 1 7.329 0.005 . 1 . . . . 96 GLN HN . 25443 1 1128 . 1 1 96 96 GLN HA H 1 4.030 0.003 . 1 . . . . 96 GLN HA . 25443 1 1129 . 1 1 96 96 GLN HB2 H 1 2.397 0.013 . 2 . . . . 96 GLN HB2 . 25443 1 1130 . 1 1 96 96 GLN HB3 H 1 1.993 0.003 . 2 . . . . 96 GLN HB3 . 25443 1 1131 . 1 1 96 96 GLN HG2 H 1 2.424 0.013 . 2 . . . . 96 GLN HG2 . 25443 1 1132 . 1 1 96 96 GLN HG3 H 1 2.516 0.004 . 2 . . . . 96 GLN HG3 . 25443 1 1133 . 1 1 96 96 GLN HE21 H 1 7.858 0.000 . 2 . . . . 96 GLN HE21 . 25443 1 1134 . 1 1 96 96 GLN HE22 H 1 6.902 0.000 . 2 . . . . 96 GLN HE22 . 25443 1 1135 . 1 1 96 96 GLN C C 13 177.751 0.000 . 1 . . . . 96 GLN C . 25443 1 1136 . 1 1 96 96 GLN CA C 13 60.705 0.044 . 1 . . . . 96 GLN CA . 25443 1 1137 . 1 1 96 96 GLN CB C 13 28.822 0.033 . 1 . . . . 96 GLN CB . 25443 1 1138 . 1 1 96 96 GLN CG C 13 33.193 0.041 . 1 . . . . 96 GLN CG . 25443 1 1139 . 1 1 96 96 GLN N N 15 118.834 0.059 . 1 . . . . 96 GLN N . 25443 1 1140 . 1 1 96 96 GLN NE2 N 15 112.368 0.001 . 1 . . . . 96 GLN NE2 . 25443 1 1141 . 1 1 97 97 LYS H H 1 8.614 0.009 . 1 . . . . 97 LYS HN . 25443 1 1142 . 1 1 97 97 LYS HA H 1 4.060 0.004 . 1 . . . . 97 LYS HA . 25443 1 1143 . 1 1 97 97 LYS HB2 H 1 1.823 0.003 . 2 . . . . 97 LYS HB2 . 25443 1 1144 . 1 1 97 97 LYS HB3 H 1 1.884 0.003 . 2 . . . . 97 LYS HB3 . 25443 1 1145 . 1 1 97 97 LYS HG2 H 1 1.406 0.004 . 2 . . . . 97 LYS HG2 . 25443 1 1146 . 1 1 97 97 LYS HG3 H 1 1.513 0.005 . 2 . . . . 97 LYS HG3 . 25443 1 1147 . 1 1 97 97 LYS HD2 H 1 1.653 0.000 . 2 . . . . 97 LYS HD2 . 25443 1 1148 . 1 1 97 97 LYS HD3 H 1 1.616 0.002 . 2 . . . . 97 LYS HD3 . 25443 1 1149 . 1 1 97 97 LYS HE2 H 1 2.934 0.009 . 2 . . . . 97 LYS HE2 . 25443 1 1150 . 1 1 97 97 LYS HE3 H 1 2.925 0.005 . 2 . . . . 97 LYS HE3 . 25443 1 1151 . 1 1 97 97 LYS C C 13 179.164 0.000 . 1 . . . . 97 LYS C . 25443 1 1152 . 1 1 97 97 LYS CA C 13 59.430 0.041 . 1 . . . . 97 LYS CA . 25443 1 1153 . 1 1 97 97 LYS CB C 13 31.511 0.029 . 1 . . . . 97 LYS CB . 25443 1 1154 . 1 1 97 97 LYS CG C 13 25.404 0.016 . 1 . . . . 97 LYS CG . 25443 1 1155 . 1 1 97 97 LYS CD C 13 28.814 0.000 . 1 . . . . 97 LYS CD . 25443 1 1156 . 1 1 97 97 LYS CE C 13 42.117 0.062 . 1 . . . . 97 LYS CE . 25443 1 1157 . 1 1 97 97 LYS N N 15 116.469 0.043 . 1 . . . . 97 LYS N . 25443 1 1158 . 1 1 98 98 TYR H H 1 7.585 0.010 . 1 . . . . 98 TYR HN . 25443 1 1159 . 1 1 98 98 TYR HA H 1 4.079 0.003 . 1 . . . . 98 TYR HA . 25443 1 1160 . 1 1 98 98 TYR HB2 H 1 3.091 0.002 . 2 . . . . 98 TYR HB2 . 25443 1 1161 . 1 1 98 98 TYR HB3 H 1 3.160 0.007 . 2 . . . . 98 TYR HB3 . 25443 1 1162 . 1 1 98 98 TYR HD1 H 1 6.874 0.005 . 3 . . . . 98 TYR QD . 25443 1 1163 . 1 1 98 98 TYR HD2 H 1 6.874 0.005 . 3 . . . . 98 TYR QD . 25443 1 1164 . 1 1 98 98 TYR C C 13 177.316 0.000 . 1 . . . . 98 TYR C . 25443 1 1165 . 1 1 98 98 TYR CA C 13 62.205 0.073 . 1 . . . . 98 TYR CA . 25443 1 1166 . 1 1 98 98 TYR CB C 13 37.162 0.008 . 1 . . . . 98 TYR CB . 25443 1 1167 . 1 1 98 98 TYR CD1 C 13 133.265 0.044 . 3 . . . . 98 TYR CD1 . 25443 1 1168 . 1 1 98 98 TYR CD2 C 13 133.265 0.044 . 3 . . . . 98 TYR CD2 . 25443 1 1169 . 1 1 98 98 TYR N N 15 124.165 0.029 . 1 . . . . 98 TYR N . 25443 1 1170 . 1 1 99 99 TYR H H 1 8.660 0.015 . 1 . . . . 99 TYR HN . 25443 1 1171 . 1 1 99 99 TYR HA H 1 5.078 0.004 . 1 . . . . 99 TYR HA . 25443 1 1172 . 1 1 99 99 TYR HB2 H 1 3.198 0.016 . 2 . . . . 99 TYR HB2 . 25443 1 1173 . 1 1 99 99 TYR HB3 H 1 3.418 0.002 . 2 . . . . 99 TYR HB3 . 25443 1 1174 . 1 1 99 99 TYR HD1 H 1 7.590 0.005 . 3 . . . . 99 TYR QD . 25443 1 1175 . 1 1 99 99 TYR HD2 H 1 7.590 0.005 . 3 . . . . 99 TYR QD . 25443 1 1176 . 1 1 99 99 TYR HE1 H 1 6.947 0.007 . 3 . . . . 99 TYR QE . 25443 1 1177 . 1 1 99 99 TYR HE2 H 1 6.947 0.007 . 3 . . . . 99 TYR QE . 25443 1 1178 . 1 1 99 99 TYR C C 13 180.957 0.000 . 1 . . . . 99 TYR C . 25443 1 1179 . 1 1 99 99 TYR CA C 13 57.741 0.086 . 1 . . . . 99 TYR CA . 25443 1 1180 . 1 1 99 99 TYR CB C 13 37.083 0.135 . 1 . . . . 99 TYR CB . 25443 1 1181 . 1 1 99 99 TYR CD1 C 13 132.704 0.049 . 3 . . . . 99 TYR CD1 . 25443 1 1182 . 1 1 99 99 TYR CD2 C 13 132.704 0.049 . 3 . . . . 99 TYR CD2 . 25443 1 1183 . 1 1 99 99 TYR CE1 C 13 118.222 0.046 . 3 . . . . 99 TYR CE1 . 25443 1 1184 . 1 1 99 99 TYR CE2 C 13 118.222 0.046 . 3 . . . . 99 TYR CE2 . 25443 1 1185 . 1 1 99 99 TYR N N 15 117.955 0.062 . 1 . . . . 99 TYR N . 25443 1 1186 . 1 1 100 100 GLU H H 1 8.263 0.007 . 1 . . . . 100 GLU HN . 25443 1 1187 . 1 1 100 100 GLU HA H 1 4.024 0.005 . 1 . . . . 100 GLU HA . 25443 1 1188 . 1 1 100 100 GLU HB2 H 1 2.102 0.005 . 2 . . . . 100 GLU HB2 . 25443 1 1189 . 1 1 100 100 GLU HB3 H 1 2.168 0.002 . 2 . . . . 100 GLU HB3 . 25443 1 1190 . 1 1 100 100 GLU HG2 H 1 2.331 0.004 . 2 . . . . 100 GLU HG2 . 25443 1 1191 . 1 1 100 100 GLU HG3 H 1 2.623 0.005 . 2 . . . . 100 GLU HG3 . 25443 1 1192 . 1 1 100 100 GLU C C 13 178.571 0.000 . 1 . . . . 100 GLU C . 25443 1 1193 . 1 1 100 100 GLU CA C 13 59.400 0.072 . 1 . . . . 100 GLU CA . 25443 1 1194 . 1 1 100 100 GLU CB C 13 29.660 0.039 . 1 . . . . 100 GLU CB . 25443 1 1195 . 1 1 100 100 GLU CG C 13 36.634 0.052 . 1 . . . . 100 GLU CG . 25443 1 1196 . 1 1 100 100 GLU N N 15 118.796 0.049 . 1 . . . . 100 GLU N . 25443 1 1197 . 1 1 101 101 ALA H H 1 7.966 0.009 . 1 . . . . 101 ALA HN . 25443 1 1198 . 1 1 101 101 ALA HA H 1 4.244 0.005 . 1 . . . . 101 ALA HA . 25443 1 1199 . 1 1 101 101 ALA HB1 H 1 1.511 0.005 . 2 . . . . 101 ALA QB . 25443 1 1200 . 1 1 101 101 ALA HB2 H 1 1.511 0.005 . 2 . . . . 101 ALA QB . 25443 1 1201 . 1 1 101 101 ALA HB3 H 1 1.511 0.005 . 2 . . . . 101 ALA QB . 25443 1 1202 . 1 1 101 101 ALA C C 13 181.331 0.000 . 1 . . . . 101 ALA C . 25443 1 1203 . 1 1 101 101 ALA CA C 13 54.851 0.045 . 1 . . . . 101 ALA CA . 25443 1 1204 . 1 1 101 101 ALA CB C 13 18.559 0.029 . 1 . . . . 101 ALA CB . 25443 1 1205 . 1 1 101 101 ALA N N 15 123.346 0.048 . 1 . . . . 101 ALA N . 25443 1 1206 . 1 1 102 102 VAL H H 1 8.331 0.011 . 1 . . . . 102 VAL HN . 25443 1 1207 . 1 1 102 102 VAL HA H 1 3.713 0.005 . 1 . . . . 102 VAL HA . 25443 1 1208 . 1 1 102 102 VAL HB H 1 2.520 0.007 . 1 . . . . 102 VAL HB . 25443 1 1209 . 1 1 102 102 VAL HG11 H 1 0.910 0.005 . 2 . . . . 102 VAL QG1 . 25443 1 1210 . 1 1 102 102 VAL HG12 H 1 0.910 0.005 . 2 . . . . 102 VAL QG1 . 25443 1 1211 . 1 1 102 102 VAL HG13 H 1 0.910 0.005 . 2 . . . . 102 VAL QG1 . 25443 1 1212 . 1 1 102 102 VAL HG21 H 1 1.230 0.002 . 2 . . . . 102 VAL QG2 . 25443 1 1213 . 1 1 102 102 VAL HG22 H 1 1.230 0.002 . 2 . . . . 102 VAL QG2 . 25443 1 1214 . 1 1 102 102 VAL HG23 H 1 1.230 0.002 . 2 . . . . 102 VAL QG2 . 25443 1 1215 . 1 1 102 102 VAL C C 13 176.967 0.000 . 1 . . . . 102 VAL C . 25443 1 1216 . 1 1 102 102 VAL CA C 13 67.433 0.059 . 1 . . . . 102 VAL CA . 25443 1 1217 . 1 1 102 102 VAL CB C 13 31.721 0.046 . 1 . . . . 102 VAL CB . 25443 1 1218 . 1 1 102 102 VAL CG1 C 13 23.008 0.048 . 2 . . . . 102 VAL CG1 . 25443 1 1219 . 1 1 102 102 VAL CG2 C 13 22.335 0.042 . 2 . . . . 102 VAL CG2 . 25443 1 1220 . 1 1 102 102 VAL N N 15 120.241 0.050 . 1 . . . . 102 VAL N . 25443 1 1221 . 1 1 103 103 LYS H H 1 8.201 0.010 . 1 . . . . 103 LYS HN . 25443 1 1222 . 1 1 103 103 LYS HA H 1 3.859 0.002 . 1 . . . . 103 LYS HA . 25443 1 1223 . 1 1 103 103 LYS HB2 H 1 1.906 0.002 . 2 . . . . 103 LYS HB2 . 25443 1 1224 . 1 1 103 103 LYS HB3 H 1 1.906 0.002 . 2 . . . . 103 LYS HB3 . 25443 1 1225 . 1 1 103 103 LYS HG2 H 1 1.508 0.003 . 2 . . . . 103 LYS HG2 . 25443 1 1226 . 1 1 103 103 LYS HG3 H 1 1.407 0.004 . 2 . . . . 103 LYS HG3 . 25443 1 1227 . 1 1 103 103 LYS HD2 H 1 1.669 0.004 . 2 . . . . 103 LYS HD2 . 25443 1 1228 . 1 1 103 103 LYS HD3 H 1 1.669 0.004 . 2 . . . . 103 LYS HD3 . 25443 1 1229 . 1 1 103 103 LYS HE2 H 1 2.954 0.008 . 2 . . . . 103 LYS HE2 . 25443 1 1230 . 1 1 103 103 LYS HE3 H 1 2.954 0.008 . 2 . . . . 103 LYS HE3 . 25443 1 1231 . 1 1 103 103 LYS C C 13 178.500 0.000 . 1 . . . . 103 LYS C . 25443 1 1232 . 1 1 103 103 LYS CA C 13 59.652 0.086 . 1 . . . . 103 LYS CA . 25443 1 1233 . 1 1 103 103 LYS CB C 13 32.040 0.021 . 1 . . . . 103 LYS CB . 25443 1 1234 . 1 1 103 103 LYS CG C 13 24.605 0.020 . 1 . . . . 103 LYS CG . 25443 1 1235 . 1 1 103 103 LYS CD C 13 29.000 0.001 . 1 . . . . 103 LYS CD . 25443 1 1236 . 1 1 103 103 LYS N N 15 120.001 0.040 . 1 . . . . 103 LYS N . 25443 1 1237 . 1 1 104 104 GLU H H 1 7.909 0.012 . 1 . . . . 104 GLU HN . 25443 1 1238 . 1 1 104 104 GLU HA H 1 3.928 0.002 . 1 . . . . 104 GLU HA . 25443 1 1239 . 1 1 104 104 GLU HB2 H 1 1.994 0.000 . 2 . . . . 104 GLU HB2 . 25443 1 1240 . 1 1 104 104 GLU HB3 H 1 2.072 0.003 . 2 . . . . 104 GLU HB3 . 25443 1 1241 . 1 1 104 104 GLU HG2 H 1 2.362 0.003 . 2 . . . . 104 GLU HG2 . 25443 1 1242 . 1 1 104 104 GLU HG3 H 1 2.194 0.000 . 2 . . . . 104 GLU HG3 . 25443 1 1243 . 1 1 104 104 GLU C C 13 178.645 0.000 . 1 . . . . 104 GLU C . 25443 1 1244 . 1 1 104 104 GLU CA C 13 59.110 0.070 . 1 . . . . 104 GLU CA . 25443 1 1245 . 1 1 104 104 GLU CB C 13 29.607 0.022 . 1 . . . . 104 GLU CB . 25443 1 1246 . 1 1 104 104 GLU CG C 13 36.333 0.011 . 1 . . . . 104 GLU CG . 25443 1 1247 . 1 1 104 104 GLU N N 15 116.335 0.079 . 1 . . . . 104 GLU N . 25443 1 1248 . 1 1 105 105 GLU H H 1 7.257 0.009 . 1 . . . . 105 GLU HN . 25443 1 1249 . 1 1 105 105 GLU HA H 1 3.844 0.005 . 1 . . . . 105 GLU HA . 25443 1 1250 . 1 1 105 105 GLU HB2 H 1 1.257 0.000 . 2 . . . . 105 GLU HB2 . 25443 1 1251 . 1 1 105 105 GLU HB3 H 1 1.391 0.008 . 2 . . . . 105 GLU HB3 . 25443 1 1252 . 1 1 105 105 GLU HG2 H 1 0.377 0.006 . 2 . . . . 105 GLU HG2 . 25443 1 1253 . 1 1 105 105 GLU HG3 H 1 1.259 0.007 . 2 . . . . 105 GLU HG3 . 25443 1 1254 . 1 1 105 105 GLU C C 13 178.613 0.000 . 1 . . . . 105 GLU C . 25443 1 1255 . 1 1 105 105 GLU CA C 13 58.162 0.065 . 1 . . . . 105 GLU CA . 25443 1 1256 . 1 1 105 105 GLU CB C 13 29.754 0.017 . 1 . . . . 105 GLU CB . 25443 1 1257 . 1 1 105 105 GLU CG C 13 32.491 0.063 . 1 . . . . 105 GLU CG . 25443 1 1258 . 1 1 105 105 GLU N N 15 119.210 0.033 . 1 . . . . 105 GLU N . 25443 1 1259 . 1 1 106 106 LEU H H 1 8.169 0.013 . 1 . . . . 106 LEU HN . 25443 1 1260 . 1 1 106 106 LEU HA H 1 3.976 0.006 . 1 . . . . 106 LEU HA . 25443 1 1261 . 1 1 106 106 LEU HB2 H 1 1.421 0.006 . 2 . . . . 106 LEU HB2 . 25443 1 1262 . 1 1 106 106 LEU HB3 H 1 1.678 0.008 . 2 . . . . 106 LEU HB3 . 25443 1 1263 . 1 1 106 106 LEU HG H 1 1.760 0.003 . 1 . . . . 106 LEU HG . 25443 1 1264 . 1 1 106 106 LEU HD11 H 1 0.636 0.002 . 2 . . . . 106 LEU QD1 . 25443 1 1265 . 1 1 106 106 LEU HD12 H 1 0.636 0.002 . 2 . . . . 106 LEU QD1 . 25443 1 1266 . 1 1 106 106 LEU HD13 H 1 0.636 0.002 . 2 . . . . 106 LEU QD1 . 25443 1 1267 . 1 1 106 106 LEU HD21 H 1 0.540 0.001 . 2 . . . . 106 LEU QD2 . 25443 1 1268 . 1 1 106 106 LEU HD22 H 1 0.540 0.001 . 2 . . . . 106 LEU QD2 . 25443 1 1269 . 1 1 106 106 LEU HD23 H 1 0.540 0.001 . 2 . . . . 106 LEU QD2 . 25443 1 1270 . 1 1 106 106 LEU C C 13 178.646 0.000 . 1 . . . . 106 LEU C . 25443 1 1271 . 1 1 106 106 LEU CA C 13 56.699 0.062 . 1 . . . . 106 LEU CA . 25443 1 1272 . 1 1 106 106 LEU CB C 13 40.455 0.080 . 1 . . . . 106 LEU CB . 25443 1 1273 . 1 1 106 106 LEU CG C 13 26.568 0.043 . 1 . . . . 106 LEU CG . 25443 1 1274 . 1 1 106 106 LEU CD1 C 13 22.564 0.045 . 2 . . . . 106 LEU CD1 . 25443 1 1275 . 1 1 106 106 LEU CD2 C 13 25.462 0.065 . 2 . . . . 106 LEU CD2 . 25443 1 1276 . 1 1 106 106 LEU N N 15 117.408 0.044 . 1 . . . . 106 LEU N . 25443 1 1277 . 1 1 107 107 ASP H H 1 8.003 0.013 . 1 . . . . 107 ASP HN . 25443 1 1278 . 1 1 107 107 ASP HA H 1 4.521 0.001 . 1 . . . . 107 ASP HA . 25443 1 1279 . 1 1 107 107 ASP HB2 H 1 2.663 0.007 . 2 . . . . 107 ASP HB2 . 25443 1 1280 . 1 1 107 107 ASP HB3 H 1 2.663 0.007 . 2 . . . . 107 ASP HB3 . 25443 1 1281 . 1 1 107 107 ASP C C 13 177.069 0.000 . 1 . . . . 107 ASP C . 25443 1 1282 . 1 1 107 107 ASP CA C 13 55.099 0.042 . 1 . . . . 107 ASP CA . 25443 1 1283 . 1 1 107 107 ASP CB C 13 40.670 0.109 . 1 . . . . 107 ASP CB . 25443 1 1284 . 1 1 107 107 ASP N N 15 119.073 0.073 . 1 . . . . 107 ASP N . 25443 1 1285 . 1 1 108 108 ARG H H 1 7.603 0.006 . 1 . . . . 108 ARG HN . 25443 1 1286 . 1 1 108 108 ARG HA H 1 4.067 0.003 . 1 . . . . 108 ARG HA . 25443 1 1287 . 1 1 108 108 ARG HB2 H 1 1.782 0.005 . 2 . . . . 108 ARG HB2 . 25443 1 1288 . 1 1 108 108 ARG HB3 H 1 1.782 0.005 . 2 . . . . 108 ARG HB3 . 25443 1 1289 . 1 1 108 108 ARG HG2 H 1 1.668 0.005 . 2 . . . . 108 ARG HG2 . 25443 1 1290 . 1 1 108 108 ARG HG3 H 1 1.540 0.003 . 2 . . . . 108 ARG HG3 . 25443 1 1291 . 1 1 108 108 ARG HD2 H 1 3.107 0.003 . 2 . . . . 108 ARG HD2 . 25443 1 1292 . 1 1 108 108 ARG HD3 H 1 3.107 0.003 . 2 . . . . 108 ARG HD3 . 25443 1 1293 . 1 1 108 108 ARG HE H 1 7.158 0.000 . 1 . . . . 108 ARG HE . 25443 1 1294 . 1 1 108 108 ARG C C 13 176.990 0.000 . 1 . . . . 108 ARG C . 25443 1 1295 . 1 1 108 108 ARG CA C 13 57.517 0.042 . 1 . . . . 108 ARG CA . 25443 1 1296 . 1 1 108 108 ARG CB C 13 30.407 0.044 . 1 . . . . 108 ARG CB . 25443 1 1297 . 1 1 108 108 ARG CG C 13 27.032 0.066 . 1 . . . . 108 ARG CG . 25443 1 1298 . 1 1 108 108 ARG CD C 13 43.255 0.048 . 1 . . . . 108 ARG CD . 25443 1 1299 . 1 1 108 108 ARG N N 15 120.705 0.071 . 1 . . . . 108 ARG N . 25443 1 1300 . 1 1 109 109 ASP H H 1 8.226 0.010 . 1 . . . . 109 ASP HN . 25443 1 1301 . 1 1 109 109 ASP HA H 1 4.521 0.001 . 1 . . . . 109 ASP HA . 25443 1 1302 . 1 1 109 109 ASP HB2 H 1 2.675 0.002 . 2 . . . . 109 ASP HB2 . 25443 1 1303 . 1 1 109 109 ASP HB3 H 1 2.559 0.004 . 2 . . . . 109 ASP HB3 . 25443 1 1304 . 1 1 109 109 ASP C C 13 176.630 0.000 . 1 . . . . 109 ASP C . 25443 1 1305 . 1 1 109 109 ASP CA C 13 55.028 0.048 . 1 . . . . 109 ASP CA . 25443 1 1306 . 1 1 109 109 ASP CB C 13 40.936 0.018 . 1 . . . . 109 ASP CB . 25443 1 1307 . 1 1 109 109 ASP N N 15 120.246 0.085 . 1 . . . . 109 ASP N . 25443 1 1308 . 1 1 110 110 ILE H H 1 7.863 0.008 . 1 . . . . 110 ILE HN . 25443 1 1309 . 1 1 110 110 ILE HA H 1 3.987 0.002 . 1 . . . . 110 ILE HA . 25443 1 1310 . 1 1 110 110 ILE HB H 1 1.870 0.003 . 1 . . . . 110 ILE HB . 25443 1 1311 . 1 1 110 110 ILE HG12 H 1 1.459 0.004 . 2 . . . . 110 ILE HG12 . 25443 1 1312 . 1 1 110 110 ILE HG13 H 1 1.132 0.002 . 2 . . . . 110 ILE HG13 . 25443 1 1313 . 1 1 110 110 ILE HG21 H 1 0.840 0.001 . 2 . . . . 110 ILE QG2 . 25443 1 1314 . 1 1 110 110 ILE HG22 H 1 0.840 0.001 . 2 . . . . 110 ILE QG2 . 25443 1 1315 . 1 1 110 110 ILE HG23 H 1 0.840 0.001 . 2 . . . . 110 ILE QG2 . 25443 1 1316 . 1 1 110 110 ILE HD11 H 1 0.811 0.002 . 2 . . . . 110 ILE QD1 . 25443 1 1317 . 1 1 110 110 ILE HD12 H 1 0.811 0.002 . 2 . . . . 110 ILE QD1 . 25443 1 1318 . 1 1 110 110 ILE HD13 H 1 0.811 0.002 . 2 . . . . 110 ILE QD1 . 25443 1 1319 . 1 1 110 110 ILE C C 13 176.996 0.000 . 1 . . . . 110 ILE C . 25443 1 1320 . 1 1 110 110 ILE CA C 13 62.241 0.042 . 1 . . . . 110 ILE CA . 25443 1 1321 . 1 1 110 110 ILE CB C 13 38.359 0.051 . 1 . . . . 110 ILE CB . 25443 1 1322 . 1 1 110 110 ILE CG1 C 13 27.715 0.045 . 1 . . . . 110 ILE CG1 . 25443 1 1323 . 1 1 110 110 ILE CG2 C 13 17.560 0.016 . 1 . . . . 110 ILE CG2 . 25443 1 1324 . 1 1 110 110 ILE CD1 C 13 13.098 0.017 . 1 . . . . 110 ILE CD1 . 25443 1 1325 . 1 1 110 110 ILE N N 15 120.386 0.027 . 1 . . . . 110 ILE N . 25443 1 1326 . 1 1 111 111 VAL H H 1 8.016 0.011 . 1 . . . . 111 VAL HN . 25443 1 1327 . 1 1 111 111 VAL HA H 1 3.946 0.008 . 1 . . . . 111 VAL HA . 25443 1 1328 . 1 1 111 111 VAL HB H 1 2.042 0.002 . 1 . . . . 111 VAL HB . 25443 1 1329 . 1 1 111 111 VAL HG11 H 1 0.922 0.000 . 2 . . . . 111 VAL QG1 . 25443 1 1330 . 1 1 111 111 VAL HG12 H 1 0.922 0.000 . 2 . . . . 111 VAL QG1 . 25443 1 1331 . 1 1 111 111 VAL HG13 H 1 0.922 0.000 . 2 . . . . 111 VAL QG1 . 25443 1 1332 . 1 1 111 111 VAL HG21 H 1 0.882 0.001 . 2 . . . . 111 VAL QG2 . 25443 1 1333 . 1 1 111 111 VAL HG22 H 1 0.882 0.001 . 2 . . . . 111 VAL QG2 . 25443 1 1334 . 1 1 111 111 VAL HG23 H 1 0.882 0.001 . 2 . . . . 111 VAL QG2 . 25443 1 1335 . 1 1 111 111 VAL C C 13 176.938 0.000 . 1 . . . . 111 VAL C . 25443 1 1336 . 1 1 111 111 VAL CA C 13 63.499 0.028 . 1 . . . . 111 VAL CA . 25443 1 1337 . 1 1 111 111 VAL CB C 13 32.223 0.017 . 1 . . . . 111 VAL CB . 25443 1 1338 . 1 1 111 111 VAL CG1 C 13 21.241 0.018 . 2 . . . . 111 VAL CG1 . 25443 1 1339 . 1 1 111 111 VAL CG2 C 13 21.247 0.081 . 2 . . . . 111 VAL CG2 . 25443 1 1340 . 1 1 111 111 VAL N N 15 122.548 0.053 . 1 . . . . 111 VAL N . 25443 1 1341 . 1 1 112 112 SER H H 1 8.187 0.015 . 1 . . . . 112 SER HN . 25443 1 1342 . 1 1 112 112 SER HA H 1 4.317 0.001 . 1 . . . . 112 SER HA . 25443 1 1343 . 1 1 112 112 SER HB2 H 1 3.828 0.010 . 2 . . . . 112 SER HB2 . 25443 1 1344 . 1 1 112 112 SER HB3 H 1 3.847 0.000 . 2 . . . . 112 SER HB3 . 25443 1 1345 . 1 1 112 112 SER C C 13 175.154 0.000 . 1 . . . . 112 SER C . 25443 1 1346 . 1 1 112 112 SER CA C 13 59.025 0.017 . 1 . . . . 112 SER CA . 25443 1 1347 . 1 1 112 112 SER CB C 13 63.419 0.044 . 1 . . . . 112 SER CB . 25443 1 1348 . 1 1 112 112 SER N N 15 117.984 0.073 . 1 . . . . 112 SER N . 25443 1 1349 . 1 1 113 113 LYS H H 1 8.152 0.013 . 1 . . . . 113 LYS HN . 25443 1 1350 . 1 1 113 113 LYS HA H 1 4.209 0.004 . 1 . . . . 113 LYS HA . 25443 1 1351 . 1 1 113 113 LYS HB2 H 1 1.802 0.009 . 2 . . . . 113 LYS HB2 . 25443 1 1352 . 1 1 113 113 LYS HB3 H 1 1.726 0.004 . 2 . . . . 113 LYS HB3 . 25443 1 1353 . 1 1 113 113 LYS HG2 H 1 1.408 0.002 . 2 . . . . 113 LYS HG2 . 25443 1 1354 . 1 1 113 113 LYS HG3 H 1 1.344 0.002 . 2 . . . . 113 LYS HG3 . 25443 1 1355 . 1 1 113 113 LYS HD2 H 1 1.599 0.001 . 2 . . . . 113 LYS HD2 . 25443 1 1356 . 1 1 113 113 LYS HD3 H 1 1.599 0.001 . 2 . . . . 113 LYS HD3 . 25443 1 1357 . 1 1 113 113 LYS HE2 H 1 2.923 0.001 . 2 . . . . 113 LYS HE2 . 25443 1 1358 . 1 1 113 113 LYS HE3 H 1 2.923 0.001 . 2 . . . . 113 LYS HE3 . 25443 1 1359 . 1 1 113 113 LYS C C 13 176.713 0.000 . 1 . . . . 113 LYS C . 25443 1 1360 . 1 1 113 113 LYS CA C 13 56.844 0.086 . 1 . . . . 113 LYS CA . 25443 1 1361 . 1 1 113 113 LYS CB C 13 32.794 0.013 . 1 . . . . 113 LYS CB . 25443 1 1362 . 1 1 113 113 LYS CG C 13 24.735 0.024 . 1 . . . . 113 LYS CG . 25443 1 1363 . 1 1 113 113 LYS CD C 13 29.026 0.016 . 1 . . . . 113 LYS CD . 25443 1 1364 . 1 1 113 113 LYS N N 15 122.727 0.046 . 1 . . . . 113 LYS N . 25443 1 1365 . 1 1 114 114 ASN H H 1 8.261 0.012 . 1 . . . . 114 ASN HN . 25443 1 1366 . 1 1 114 114 ASN C C 13 175.227 0.000 . 1 . . . . 114 ASN C . 25443 1 1367 . 1 1 114 114 ASN CA C 13 53.549 0.000 . 1 . . . . 114 ASN CA . 25443 1 1368 . 1 1 114 114 ASN N N 15 118.886 0.039 . 1 . . . . 114 ASN N . 25443 1 1369 . 1 1 115 115 ASN H H 1 8.257 0.014 . 1 . . . . 115 ASN HN . 25443 1 1370 . 1 1 115 115 ASN C C 13 174.896 0.000 . 1 . . . . 115 ASN C . 25443 1 1371 . 1 1 115 115 ASN CA C 13 53.476 0.016 . 1 . . . . 115 ASN CA . 25443 1 1372 . 1 1 115 115 ASN N N 15 119.345 0.049 . 1 . . . . 115 ASN N . 25443 1 1373 . 1 1 116 116 ALA H H 1 8.094 0.013 . 1 . . . . 116 ALA HN . 25443 1 1374 . 1 1 116 116 ALA HA H 1 4.254 0.005 . 1 . . . . 116 ALA HA . 25443 1 1375 . 1 1 116 116 ALA HB1 H 1 1.357 0.003 . 2 . . . . 116 ALA QB . 25443 1 1376 . 1 1 116 116 ALA HB2 H 1 1.357 0.003 . 2 . . . . 116 ALA QB . 25443 1 1377 . 1 1 116 116 ALA HB3 H 1 1.357 0.003 . 2 . . . . 116 ALA QB . 25443 1 1378 . 1 1 116 116 ALA C C 13 177.567 0.000 . 1 . . . . 116 ALA C . 25443 1 1379 . 1 1 116 116 ALA CA C 13 52.678 0.044 . 1 . . . . 116 ALA CA . 25443 1 1380 . 1 1 116 116 ALA CB C 13 19.243 0.008 . 1 . . . . 116 ALA CB . 25443 1 1381 . 1 1 116 116 ALA N N 15 123.669 0.052 . 1 . . . . 116 ALA N . 25443 1 1382 . 1 1 117 117 GLU H H 1 8.221 0.015 . 1 . . . . 117 GLU HN . 25443 1 1383 . 1 1 117 117 GLU C C 13 175.564 0.000 . 1 . . . . 117 GLU C . 25443 1 1384 . 1 1 117 117 GLU CA C 13 56.602 0.000 . 1 . . . . 117 GLU CA . 25443 1 1385 . 1 1 117 117 GLU N N 15 120.083 0.060 . 1 . . . . 117 GLU N . 25443 1 1386 . 1 1 118 118 LYS H H 1 7.836 0.021 . 1 . . . . 118 LYS HN . 25443 1 1387 . 1 1 118 118 LYS HA H 1 4.081 0.002 . 1 . . . . 118 LYS HA . 25443 1 1388 . 1 1 118 118 LYS HB2 H 1 1.766 0.001 . 2 . . . . 118 LYS HB2 . 25443 1 1389 . 1 1 118 118 LYS HB3 H 1 1.655 0.003 . 2 . . . . 118 LYS HB3 . 25443 1 1390 . 1 1 118 118 LYS HG2 H 1 1.333 0.000 . 2 . . . . 118 LYS HG2 . 25443 1 1391 . 1 1 118 118 LYS HG3 H 1 1.333 0.000 . 2 . . . . 118 LYS HG3 . 25443 1 1392 . 1 1 118 118 LYS HD2 H 1 1.605 0.005 . 2 . . . . 118 LYS HD2 . 25443 1 1393 . 1 1 118 118 LYS HD3 H 1 1.605 0.005 . 2 . . . . 118 LYS HD3 . 25443 1 1394 . 1 1 118 118 LYS HE2 H 1 2.937 0.001 . 2 . . . . 118 LYS HE2 . 25443 1 1395 . 1 1 118 118 LYS HE3 H 1 2.937 0.001 . 2 . . . . 118 LYS HE3 . 25443 1 1396 . 1 1 118 118 LYS CA C 13 57.629 0.033 . 1 . . . . 118 LYS CA . 25443 1 1397 . 1 1 118 118 LYS CB C 13 33.617 0.049 . 1 . . . . 118 LYS CB . 25443 1 1398 . 1 1 118 118 LYS CG C 13 24.645 0.000 . 1 . . . . 118 LYS CG . 25443 1 1399 . 1 1 118 118 LYS CD C 13 29.077 0.030 . 1 . . . . 118 LYS CD . 25443 1 1400 . 1 1 118 118 LYS CE C 13 42.178 0.000 . 1 . . . . 118 LYS CE . 25443 1 1401 . 1 1 118 118 LYS N N 15 127.115 0.032 . 1 . . . . 118 LYS N . 25443 1 1402 . 2 2 1 1 GLY HA2 H 1 3.816 0.001 . 2 . . . . 200 GLY HA2 . 25443 1 1403 . 2 2 1 1 GLY HA3 H 1 3.816 0.001 . 2 . . . . 200 GLY HA3 . 25443 1 1404 . 2 2 1 1 GLY CA C 13 43.563 0.000 . 1 . . . . 200 GLY CA . 25443 1 1405 . 2 2 3 3 LYS H H 1 8.310 0.001 . 1 . . . . 202 LYS HN . 25443 1 1406 . 2 2 3 3 LYS HA H 1 4.326 0.001 . 1 . . . . 202 LYS HA . 25443 1 1407 . 2 2 3 3 LYS HB2 H 1 1.821 0.003 . 2 . . . . 202 LYS HB2 . 25443 1 1408 . 2 2 3 3 LYS HB3 H 1 1.719 0.003 . 2 . . . . 202 LYS HB3 . 25443 1 1409 . 2 2 3 3 LYS HG2 H 1 1.422 0.003 . 2 . . . . 202 LYS HG2 . 25443 1 1410 . 2 2 3 3 LYS HG3 H 1 1.381 0.000 . 2 . . . . 202 LYS HG3 . 25443 1 1411 . 2 2 3 3 LYS HD2 H 1 1.629 0.000 . 2 . . . . 202 LYS HD2 . 25443 1 1412 . 2 2 3 3 LYS HD3 H 1 1.629 0.000 . 2 . . . . 202 LYS HD3 . 25443 1 1413 . 2 2 3 3 LYS HE2 H 1 2.940 0.004 . 2 . . . . 202 LYS HE2 . 25443 1 1414 . 2 2 3 3 LYS HE3 H 1 2.876 0.000 . 2 . . . . 202 LYS HE3 . 25443 1 1415 . 2 2 3 3 LYS CA C 13 56.361 0.028 . 1 . . . . 202 LYS CA . 25443 1 1416 . 2 2 3 3 LYS CB C 13 32.837 0.057 . 1 . . . . 202 LYS CB . 25443 1 1417 . 2 2 3 3 LYS CG C 13 24.569 0.000 . 1 . . . . 202 LYS CG . 25443 1 1418 . 2 2 3 3 LYS CD C 13 28.924 0.000 . 1 . . . . 202 LYS CD . 25443 1 1419 . 2 2 3 3 LYS CE C 13 42.093 0.002 . 1 . . . . 202 LYS CE . 25443 1 1420 . 2 2 3 3 LYS N N 15 117.071 0.000 . 1 . . . . 202 LYS N . 25443 1 1421 . 2 2 5 5 GLN HA H 1 4.220 0.005 . 1 . . . . 204 GLN HA . 25443 1 1422 . 2 2 5 5 GLN HB2 H 1 1.902 0.003 . 2 . . . . 204 GLN HB2 . 25443 1 1423 . 2 2 5 5 GLN HB3 H 1 1.820 0.002 . 2 . . . . 204 GLN HB3 . 25443 1 1424 . 2 2 5 5 GLN HG2 H 1 2.123 0.009 . 2 . . . . 204 GLN HG2 . 25443 1 1425 . 2 2 5 5 GLN HG3 H 1 2.123 0.009 . 2 . . . . 204 GLN HG3 . 25443 1 1426 . 2 2 5 5 GLN HE21 H 1 6.816 0.000 . 2 . . . . 204 GLN HE21 . 25443 1 1427 . 2 2 5 5 GLN HE22 H 1 7.440 0.000 . 2 . . . . 204 GLN HE22 . 25443 1 1428 . 2 2 5 5 GLN CA C 13 55.837 0.041 . 1 . . . . 204 GLN CA . 25443 1 1429 . 2 2 5 5 GLN CB C 13 29.491 0.058 . 1 . . . . 204 GLN CB . 25443 1 1430 . 2 2 5 5 GLN CG C 13 33.477 0.000 . 1 . . . . 204 GLN CG . 25443 1 1431 . 2 2 5 5 GLN NE2 N 15 112.391 0.001 . 1 . . . . 204 GLN NE2 . 25443 1 1432 . 2 2 6 6 TYR H H 1 8.100 0.001 . 1 . . . . 205 TYR HN . 25443 1 1433 . 2 2 6 6 TYR HA H 1 4.632 0.002 . 1 . . . . 205 TYR HA . 25443 1 1434 . 2 2 6 6 TYR HB2 H 1 3.060 0.003 . 2 . . . . 205 TYR HB2 . 25443 1 1435 . 2 2 6 6 TYR HB3 H 1 2.838 0.002 . 2 . . . . 205 TYR HB3 . 25443 1 1436 . 2 2 6 6 TYR HD1 H 1 7.054 0.004 . 3 . . . . 205 TYR QD . 25443 1 1437 . 2 2 6 6 TYR HD2 H 1 7.054 0.004 . 3 . . . . 205 TYR QD . 25443 1 1438 . 2 2 6 6 TYR HE1 H 1 6.774 0.002 . 3 . . . . 205 TYR QE . 25443 1 1439 . 2 2 6 6 TYR HE2 H 1 6.774 0.002 . 3 . . . . 205 TYR QE . 25443 1 1440 . 2 2 6 6 TYR CA C 13 57.670 0.000 . 1 . . . . 205 TYR CA . 25443 1 1441 . 2 2 6 6 TYR CB C 13 38.954 0.046 . 1 . . . . 205 TYR CB . 25443 1 1442 . 2 2 6 6 TYR CD1 C 13 133.115 0.044 . 3 . . . . 205 TYR CD1 . 25443 1 1443 . 2 2 6 6 TYR CD2 C 13 133.115 0.044 . 3 . . . . 205 TYR CD2 . 25443 1 1444 . 2 2 6 6 TYR CE1 C 13 118.210 0.000 . 3 . . . . 205 TYR CE1 . 25443 1 1445 . 2 2 6 6 TYR CE2 C 13 118.210 0.000 . 3 . . . . 205 TYR CE2 . 25443 1 1446 . 2 2 6 6 TYR N N 15 120.928 0.024 . 1 . . . . 205 TYR N . 25443 1 1447 . 2 2 7 7 ILE H H 1 7.997 0.001 . 1 . . . . 206 ILE HN . 25443 1 1448 . 2 2 7 7 ILE HA H 1 4.147 0.001 . 1 . . . . 206 ILE HA . 25443 1 1449 . 2 2 7 7 ILE HB H 1 1.725 0.003 . 1 . . . . 206 ILE HB . 25443 1 1450 . 2 2 7 7 ILE HG12 H 1 1.067 0.005 . 2 . . . . 206 ILE HG12 . 25443 1 1451 . 2 2 7 7 ILE HG13 H 1 1.272 0.005 . 2 . . . . 206 ILE HG13 . 25443 1 1452 . 2 2 7 7 ILE HG21 H 1 0.748 0.002 . 2 . . . . 206 ILE QG2 . 25443 1 1453 . 2 2 7 7 ILE HG22 H 1 0.748 0.002 . 2 . . . . 206 ILE QG2 . 25443 1 1454 . 2 2 7 7 ILE HG23 H 1 0.748 0.002 . 2 . . . . 206 ILE QG2 . 25443 1 1455 . 2 2 7 7 ILE HD11 H 1 0.671 0.002 . 2 . . . . 206 ILE QD1 . 25443 1 1456 . 2 2 7 7 ILE HD12 H 1 0.671 0.002 . 2 . . . . 206 ILE QD1 . 25443 1 1457 . 2 2 7 7 ILE HD13 H 1 0.671 0.002 . 2 . . . . 206 ILE QD1 . 25443 1 1458 . 2 2 7 7 ILE CA C 13 60.176 0.050 . 1 . . . . 206 ILE CA . 25443 1 1459 . 2 2 7 7 ILE CB C 13 39.182 0.028 . 1 . . . . 206 ILE CB . 25443 1 1460 . 2 2 7 7 ILE CG1 C 13 26.856 0.050 . 1 . . . . 206 ILE CG1 . 25443 1 1461 . 2 2 7 7 ILE CG2 C 13 17.330 0.019 . 1 . . . . 206 ILE CG2 . 25443 1 1462 . 2 2 7 7 ILE CD1 C 13 12.796 0.036 . 1 . . . . 206 ILE CD1 . 25443 1 1463 . 2 2 7 7 ILE N N 15 121.814 0.022 . 1 . . . . 206 ILE N . 25443 1 1464 . 2 2 8 8 ASP H H 1 8.288 0.003 . 1 . . . . 207 ASP HN . 25443 1 1465 . 2 2 8 8 ASP HA H 1 4.658 0.004 . 1 . . . . 207 ASP HA . 25443 1 1466 . 2 2 8 8 ASP HB2 H 1 2.527 0.004 . 2 . . . . 207 ASP HB2 . 25443 1 1467 . 2 2 8 8 ASP HB3 H 1 2.447 0.001 . 2 . . . . 207 ASP HB3 . 25443 1 1468 . 2 2 8 8 ASP CB C 13 41.302 0.084 . 1 . . . . 207 ASP CB . 25443 1 1469 . 2 2 8 8 ASP N N 15 124.479 0.012 . 1 . . . . 207 ASP N . 25443 1 1470 . 2 2 9 9 ILE H H 1 8.011 0.009 . 1 . . . . 208 ILE HN . 25443 1 1471 . 2 2 9 9 ILE HA H 1 3.981 0.001 . 1 . . . . 208 ILE HA . 25443 1 1472 . 2 2 9 9 ILE HB H 1 1.715 0.003 . 1 . . . . 208 ILE HB . 25443 1 1473 . 2 2 9 9 ILE HG12 H 1 1.389 0.004 . 2 . . . . 208 ILE HG12 . 25443 1 1474 . 2 2 9 9 ILE HG13 H 1 1.098 0.003 . 2 . . . . 208 ILE HG13 . 25443 1 1475 . 2 2 9 9 ILE HG21 H 1 0.648 0.002 . 2 . . . . 208 ILE QG2 . 25443 1 1476 . 2 2 9 9 ILE HG22 H 1 0.648 0.002 . 2 . . . . 208 ILE QG2 . 25443 1 1477 . 2 2 9 9 ILE HG23 H 1 0.648 0.002 . 2 . . . . 208 ILE QG2 . 25443 1 1478 . 2 2 9 9 ILE HD11 H 1 0.606 0.002 . 2 . . . . 208 ILE QD1 . 25443 1 1479 . 2 2 9 9 ILE HD12 H 1 0.606 0.002 . 2 . . . . 208 ILE QD1 . 25443 1 1480 . 2 2 9 9 ILE HD13 H 1 0.606 0.002 . 2 . . . . 208 ILE QD1 . 25443 1 1481 . 2 2 9 9 ILE CA C 13 60.883 0.066 . 1 . . . . 208 ILE CA . 25443 1 1482 . 2 2 9 9 ILE CB C 13 37.023 0.045 . 1 . . . . 208 ILE CB . 25443 1 1483 . 2 2 9 9 ILE CG1 C 13 27.298 0.046 . 1 . . . . 208 ILE CG1 . 25443 1 1484 . 2 2 9 9 ILE CG2 C 13 18.578 0.048 . 1 . . . . 208 ILE CG2 . 25443 1 1485 . 2 2 9 9 ILE CD1 C 13 12.201 0.027 . 1 . . . . 208 ILE CD1 . 25443 1 1486 . 2 2 9 9 ILE N N 15 124.855 0.033 . 1 . . . . 208 ILE N . 25443 1 1487 . 2 2 10 10 MET H H 1 8.066 0.002 . 1 . . . . 209 MET HN . 25443 1 1488 . 2 2 10 10 MET HA H 1 5.200 0.002 . 1 . . . . 209 MET HA . 25443 1 1489 . 2 2 10 10 MET HB2 H 1 1.756 0.014 . 2 . . . . 209 MET HB2 . 25443 1 1490 . 2 2 10 10 MET HB3 H 1 1.939 0.008 . 2 . . . . 209 MET HB3 . 25443 1 1491 . 2 2 10 10 MET HG2 H 1 2.603 0.004 . 2 . . . . 209 MET HG2 . 25443 1 1492 . 2 2 10 10 MET HG3 H 1 2.278 0.005 . 2 . . . . 209 MET HG3 . 25443 1 1493 . 2 2 10 10 MET HE1 H 1 2.049 0.004 . 2 . . . . 209 MET QE . 25443 1 1494 . 2 2 10 10 MET HE2 H 1 2.049 0.004 . 2 . . . . 209 MET QE . 25443 1 1495 . 2 2 10 10 MET HE3 H 1 2.049 0.004 . 2 . . . . 209 MET QE . 25443 1 1496 . 2 2 10 10 MET CA C 13 51.402 0.030 . 1 . . . . 209 MET CA . 25443 1 1497 . 2 2 10 10 MET CB C 13 35.387 0.070 . 1 . . . . 209 MET CB . 25443 1 1498 . 2 2 10 10 MET CG C 13 33.235 0.022 . 1 . . . . 209 MET CG . 25443 1 1499 . 2 2 10 10 MET CE C 13 18.301 0.021 . 1 . . . . 209 MET CE . 25443 1 1500 . 2 2 10 10 MET N N 15 124.698 0.037 . 1 . . . . 209 MET N . 25443 1 1501 . 2 2 11 11 PRO HB2 H 1 1.155 0.015 . 2 . . . . 210 PRO HB2 . 25443 1 1502 . 2 2 11 11 PRO HB3 H 1 0.622 0.010 . 2 . . . . 210 PRO HB3 . 25443 1 1503 . 2 2 11 11 PRO HG2 H 1 1.659 0.000 . 2 . . . . 210 PRO HG2 . 25443 1 1504 . 2 2 11 11 PRO HG3 H 1 1.915 0.005 . 2 . . . . 210 PRO HG3 . 25443 1 1505 . 2 2 11 11 PRO HD2 H 1 2.992 0.008 . 2 . . . . 210 PRO HD2 . 25443 1 1506 . 2 2 11 11 PRO HD3 H 1 3.581 0.011 . 2 . . . . 210 PRO HD3 . 25443 1 1507 . 2 2 11 11 PRO CB C 13 31.835 0.050 . 1 . . . . 210 PRO CB . 25443 1 1508 . 2 2 11 11 PRO CG C 13 27.215 0.070 . 1 . . . . 210 PRO CG . 25443 1 1509 . 2 2 11 11 PRO CD C 13 49.251 0.055 . 1 . . . . 210 PRO CD . 25443 1 1510 . 2 2 12 12 ASP H H 1 8.032 0.004 . 1 . . . . 211 ASP HN . 25443 1 1511 . 2 2 12 12 ASP HB2 H 1 2.439 0.015 . 2 . . . . 211 ASP HB2 . 25443 1 1512 . 2 2 12 12 ASP HB3 H 1 2.730 0.004 . 2 . . . . 211 ASP HB3 . 25443 1 1513 . 2 2 12 12 ASP CB C 13 42.076 0.053 . 1 . . . . 211 ASP CB . 25443 1 1514 . 2 2 12 12 ASP N N 15 119.932 0.039 . 1 . . . . 211 ASP N . 25443 1 1515 . 2 2 13 13 PHE H H 1 8.854 0.003 . 1 . . . . 212 PHE HN . 25443 1 1516 . 2 2 13 13 PHE HA H 1 4.244 0.000 . 1 . . . . 212 PHE HA . 25443 1 1517 . 2 2 13 13 PHE HB2 H 1 3.401 0.006 . 2 . . . . 212 PHE HB2 . 25443 1 1518 . 2 2 13 13 PHE HB3 H 1 2.595 0.008 . 2 . . . . 212 PHE HB3 . 25443 1 1519 . 2 2 13 13 PHE HD1 H 1 7.047 0.005 . 3 . . . . 212 PHE QD . 25443 1 1520 . 2 2 13 13 PHE HD2 H 1 7.047 0.005 . 3 . . . . 212 PHE QD . 25443 1 1521 . 2 2 13 13 PHE HE1 H 1 6.909 0.003 . 3 . . . . 212 PHE QE . 25443 1 1522 . 2 2 13 13 PHE HE2 H 1 6.909 0.003 . 3 . . . . 212 PHE QE . 25443 1 1523 . 2 2 13 13 PHE HZ H 1 6.912 0.001 . 1 . . . . 212 PHE HZ . 25443 1 1524 . 2 2 13 13 PHE CA C 13 58.632 0.000 . 1 . . . . 212 PHE CA . 25443 1 1525 . 2 2 13 13 PHE CB C 13 37.946 0.042 . 1 . . . . 212 PHE CB . 25443 1 1526 . 2 2 13 13 PHE CD1 C 13 131.602 0.083 . 3 . . . . 212 PHE CD1 . 25443 1 1527 . 2 2 13 13 PHE CD2 C 13 131.602 0.083 . 3 . . . . 212 PHE CD2 . 25443 1 1528 . 2 2 13 13 PHE CE1 C 13 130.342 0.049 . 3 . . . . 212 PHE CE1 . 25443 1 1529 . 2 2 13 13 PHE CE2 C 13 130.342 0.049 . 3 . . . . 212 PHE CE2 . 25443 1 1530 . 2 2 13 13 PHE CZ C 13 128.183 0.066 . 1 . . . . 212 PHE CZ . 25443 1 1531 . 2 2 13 13 PHE N N 15 121.190 0.048 . 1 . . . . 212 PHE N . 25443 1 1532 . 2 2 14 14 SER H H 1 8.750 0.002 . 1 . . . . 213 SER HN . 25443 1 1533 . 2 2 14 14 SER HA H 1 4.654 0.005 . 1 . . . . 213 SER HA . 25443 1 1534 . 2 2 14 14 SER HB2 H 1 4.013 0.001 . 2 . . . . 213 SER HB2 . 25443 1 1535 . 2 2 14 14 SER HB3 H 1 3.884 0.006 . 2 . . . . 213 SER HB3 . 25443 1 1536 . 2 2 14 14 SER CB C 13 62.580 0.021 . 1 . . . . 213 SER CB . 25443 1 1537 . 2 2 14 14 SER N N 15 121.698 0.032 . 1 . . . . 213 SER N . 25443 1 1538 . 2 2 15 15 PRO HB2 H 1 2.344 0.009 . 2 . . . . 214 PRO HB2 . 25443 1 1539 . 2 2 15 15 PRO HB3 H 1 1.817 0.002 . 2 . . . . 214 PRO HB3 . 25443 1 1540 . 2 2 15 15 PRO HG2 H 1 2.090 0.004 . 2 . . . . 214 PRO HG2 . 25443 1 1541 . 2 2 15 15 PRO HG3 H 1 2.013 0.003 . 2 . . . . 214 PRO HG3 . 25443 1 1542 . 2 2 15 15 PRO HD2 H 1 3.833 0.005 . 2 . . . . 214 PRO HD2 . 25443 1 1543 . 2 2 15 15 PRO HD3 H 1 3.678 0.005 . 2 . . . . 214 PRO HD3 . 25443 1 1544 . 2 2 15 15 PRO CB C 13 31.888 0.075 . 1 . . . . 214 PRO CB . 25443 1 1545 . 2 2 15 15 PRO CG C 13 27.249 0.039 . 1 . . . . 214 PRO CG . 25443 1 1546 . 2 2 15 15 PRO CD C 13 50.294 0.029 . 1 . . . . 214 PRO CD . 25443 1 1547 . 2 2 16 16 SER H H 1 9.173 0.004 . 1 . . . . 215 SER HN . 25443 1 1548 . 2 2 16 16 SER HA H 1 4.198 0.004 . 1 . . . . 215 SER HA . 25443 1 1549 . 2 2 16 16 SER HB2 H 1 4.482 0.000 . 2 . . . . 215 SER HB2 . 25443 1 1550 . 2 2 16 16 SER HB3 H 1 3.725 0.004 . 2 . . . . 215 SER HB3 . 25443 1 1551 . 2 2 16 16 SER HG H 1 6.973 0.000 . 1 . . . . 215 SER HG . 25443 1 1552 . 2 2 16 16 SER CA C 13 60.593 0.018 . 1 . . . . 215 SER CA . 25443 1 1553 . 2 2 16 16 SER CB C 13 64.482 0.045 . 1 . . . . 215 SER CB . 25443 1 1554 . 2 2 16 16 SER N N 15 119.486 0.036 . 1 . . . . 215 SER N . 25443 1 1555 . 2 2 17 17 GLY H H 1 9.086 0.003 . 1 . . . . 216 GLY HN . 25443 1 1556 . 2 2 17 17 GLY HA2 H 1 3.615 0.006 . 2 . . . . 216 GLY HA2 . 25443 1 1557 . 2 2 17 17 GLY HA3 H 1 4.447 0.000 . 2 . . . . 216 GLY HA3 . 25443 1 1558 . 2 2 17 17 GLY CA C 13 44.760 0.000 . 1 . . . . 216 GLY CA . 25443 1 1559 . 2 2 17 17 GLY N N 15 111.369 0.026 . 1 . . . . 216 GLY N . 25443 1 1560 . 2 2 18 18 LEU H H 1 8.554 0.004 . 1 . . . . 217 LEU HN . 25443 1 1561 . 2 2 18 18 LEU HA H 1 4.035 0.002 . 1 . . . . 217 LEU HA . 25443 1 1562 . 2 2 18 18 LEU HB2 H 1 1.206 0.004 . 2 . . . . 217 LEU HB2 . 25443 1 1563 . 2 2 18 18 LEU HB3 H 1 1.527 0.003 . 2 . . . . 217 LEU HB3 . 25443 1 1564 . 2 2 18 18 LEU HG H 1 1.531 0.003 . 1 . . . . 217 LEU HG . 25443 1 1565 . 2 2 18 18 LEU HD11 H 1 0.691 0.004 . 2 . . . . 217 LEU QD1 . 25443 1 1566 . 2 2 18 18 LEU HD12 H 1 0.691 0.004 . 2 . . . . 217 LEU QD1 . 25443 1 1567 . 2 2 18 18 LEU HD13 H 1 0.691 0.004 . 2 . . . . 217 LEU QD1 . 25443 1 1568 . 2 2 18 18 LEU HD21 H 1 0.721 0.004 . 2 . . . . 217 LEU QD2 . 25443 1 1569 . 2 2 18 18 LEU HD22 H 1 0.721 0.004 . 2 . . . . 217 LEU QD2 . 25443 1 1570 . 2 2 18 18 LEU HD23 H 1 0.721 0.004 . 2 . . . . 217 LEU QD2 . 25443 1 1571 . 2 2 18 18 LEU CA C 13 57.098 0.071 . 1 . . . . 217 LEU CA . 25443 1 1572 . 2 2 18 18 LEU CB C 13 42.341 0.047 . 1 . . . . 217 LEU CB . 25443 1 1573 . 2 2 18 18 LEU CG C 13 28.047 0.081 . 1 . . . . 217 LEU CG . 25443 1 1574 . 2 2 18 18 LEU CD1 C 13 25.317 0.037 . 2 . . . . 217 LEU CD1 . 25443 1 1575 . 2 2 18 18 LEU CD2 C 13 23.756 0.031 . 2 . . . . 217 LEU CD2 . 25443 1 1576 . 2 2 18 18 LEU N N 15 121.901 0.039 . 1 . . . . 217 LEU N . 25443 1 1577 . 2 2 19 19 LEU H H 1 8.191 0.002 . 1 . . . . 218 LEU HN . 25443 1 1578 . 2 2 19 19 LEU HA H 1 4.143 0.004 . 1 . . . . 218 LEU HA . 25443 1 1579 . 2 2 19 19 LEU HB2 H 1 1.754 0.016 . 2 . . . . 218 LEU HB2 . 25443 1 1580 . 2 2 19 19 LEU HB3 H 1 1.479 0.010 . 2 . . . . 218 LEU HB3 . 25443 1 1581 . 2 2 19 19 LEU HG H 1 1.542 0.004 . 1 . . . . 218 LEU HG . 25443 1 1582 . 2 2 19 19 LEU HD11 H 1 0.772 0.002 . 2 . . . . 218 LEU QD1 . 25443 1 1583 . 2 2 19 19 LEU HD12 H 1 0.772 0.002 . 2 . . . . 218 LEU QD1 . 25443 1 1584 . 2 2 19 19 LEU HD13 H 1 0.772 0.002 . 2 . . . . 218 LEU QD1 . 25443 1 1585 . 2 2 19 19 LEU HD21 H 1 1.029 0.002 . 2 . . . . 218 LEU QD2 . 25443 1 1586 . 2 2 19 19 LEU HD22 H 1 1.029 0.002 . 2 . . . . 218 LEU QD2 . 25443 1 1587 . 2 2 19 19 LEU HD23 H 1 1.029 0.002 . 2 . . . . 218 LEU QD2 . 25443 1 1588 . 2 2 19 19 LEU CA C 13 55.928 0.026 . 1 . . . . 218 LEU CA . 25443 1 1589 . 2 2 19 19 LEU CB C 13 40.323 0.062 . 1 . . . . 218 LEU CB . 25443 1 1590 . 2 2 19 19 LEU CG C 13 26.908 0.057 . 1 . . . . 218 LEU CG . 25443 1 1591 . 2 2 19 19 LEU CD1 C 13 22.547 0.041 . 2 . . . . 218 LEU CD1 . 25443 1 1592 . 2 2 19 19 LEU CD2 C 13 26.004 0.048 . 2 . . . . 218 LEU CD2 . 25443 1 1593 . 2 2 19 19 LEU N N 15 115.873 0.042 . 1 . . . . 218 LEU N . 25443 1 1594 . 2 2 20 20 GLU H H 1 7.832 0.003 . 1 . . . . 219 GLU HN . 25443 1 1595 . 2 2 20 20 GLU HA H 1 4.204 0.002 . 1 . . . . 219 GLU HA . 25443 1 1596 . 2 2 20 20 GLU HB2 H 1 2.054 0.001 . 2 . . . . 219 GLU HB2 . 25443 1 1597 . 2 2 20 20 GLU HB3 H 1 1.880 0.004 . 2 . . . . 219 GLU HB3 . 25443 1 1598 . 2 2 20 20 GLU HG2 H 1 2.194 0.004 . 2 . . . . 219 GLU HG2 . 25443 1 1599 . 2 2 20 20 GLU HG3 H 1 2.194 0.004 . 2 . . . . 219 GLU HG3 . 25443 1 1600 . 2 2 20 20 GLU CA C 13 56.477 0.025 . 1 . . . . 219 GLU CA . 25443 1 1601 . 2 2 20 20 GLU CB C 13 29.736 0.032 . 1 . . . . 219 GLU CB . 25443 1 1602 . 2 2 20 20 GLU CG C 13 36.453 0.014 . 1 . . . . 219 GLU CG . 25443 1 1603 . 2 2 20 20 GLU N N 15 118.855 0.021 . 1 . . . . 219 GLU N . 25443 1 1604 . 2 2 21 21 LEU H H 1 7.635 0.001 . 1 . . . . 220 LEU HN . 25443 1 1605 . 2 2 21 21 LEU HA H 1 4.301 0.004 . 1 . . . . 220 LEU HA . 25443 1 1606 . 2 2 21 21 LEU HB2 H 1 1.651 0.004 . 2 . . . . 220 LEU HB2 . 25443 1 1607 . 2 2 21 21 LEU HB3 H 1 1.549 0.002 . 2 . . . . 220 LEU HB3 . 25443 1 1608 . 2 2 21 21 LEU HG H 1 1.630 0.005 . 1 . . . . 220 LEU HG . 25443 1 1609 . 2 2 21 21 LEU HD11 H 1 0.876 0.004 . 2 . . . . 220 LEU QD1 . 25443 1 1610 . 2 2 21 21 LEU HD12 H 1 0.876 0.004 . 2 . . . . 220 LEU QD1 . 25443 1 1611 . 2 2 21 21 LEU HD13 H 1 0.876 0.004 . 2 . . . . 220 LEU QD1 . 25443 1 1612 . 2 2 21 21 LEU HD21 H 1 0.817 0.002 . 2 . . . . 220 LEU QD2 . 25443 1 1613 . 2 2 21 21 LEU HD22 H 1 0.817 0.002 . 2 . . . . 220 LEU QD2 . 25443 1 1614 . 2 2 21 21 LEU HD23 H 1 0.817 0.002 . 2 . . . . 220 LEU QD2 . 25443 1 1615 . 2 2 21 21 LEU CA C 13 54.968 0.056 . 1 . . . . 220 LEU CA . 25443 1 1616 . 2 2 21 21 LEU CB C 13 42.512 0.047 . 1 . . . . 220 LEU CB . 25443 1 1617 . 2 2 21 21 LEU CG C 13 26.751 0.036 . 1 . . . . 220 LEU CG . 25443 1 1618 . 2 2 21 21 LEU CD1 C 13 25.049 0.036 . 2 . . . . 220 LEU CD1 . 25443 1 1619 . 2 2 21 21 LEU CD2 C 13 23.175 0.063 . 2 . . . . 220 LEU CD2 . 25443 1 1620 . 2 2 21 21 LEU N N 15 121.422 0.025 . 1 . . . . 220 LEU N . 25443 1 1621 . 2 2 22 22 GLU H H 1 8.256 0.003 . 1 . . . . 221 GLU HN . 25443 1 1622 . 2 2 22 22 GLU HA H 1 4.286 0.003 . 1 . . . . 221 GLU HA . 25443 1 1623 . 2 2 22 22 GLU HB2 H 1 2.063 0.004 . 2 . . . . 221 GLU HB2 . 25443 1 1624 . 2 2 22 22 GLU HB3 H 1 1.894 0.004 . 2 . . . . 221 GLU HB3 . 25443 1 1625 . 2 2 22 22 GLU HG2 H 1 2.255 0.003 . 2 . . . . 221 GLU HG2 . 25443 1 1626 . 2 2 22 22 GLU HG3 H 1 2.219 0.006 . 2 . . . . 221 GLU HG3 . 25443 1 1627 . 2 2 22 22 GLU CA C 13 56.389 0.037 . 1 . . . . 221 GLU CA . 25443 1 1628 . 2 2 22 22 GLU CB C 13 30.241 0.056 . 1 . . . . 221 GLU CB . 25443 1 1629 . 2 2 22 22 GLU CG C 13 36.279 0.055 . 1 . . . . 221 GLU CG . 25443 1 1630 . 2 2 22 22 GLU N N 15 121.608 0.012 . 1 . . . . 221 GLU N . 25443 1 1631 . 2 2 23 23 SER H H 1 7.909 0.003 . 1 . . . . 222 SER HN . 25443 1 1632 . 2 2 23 23 SER HA H 1 4.198 0.001 . 1 . . . . 222 SER HA . 25443 1 1633 . 2 2 23 23 SER HB2 H 1 3.774 0.002 . 2 . . . . 222 SER HB2 . 25443 1 1634 . 2 2 23 23 SER HB3 H 1 3.774 0.002 . 2 . . . . 222 SER HB3 . 25443 1 1635 . 2 2 23 23 SER CA C 13 59.813 0.040 . 1 . . . . 222 SER CA . 25443 1 1636 . 2 2 23 23 SER CB C 13 64.841 0.000 . 1 . . . . 222 SER CB . 25443 1 1637 . 2 2 23 23 SER N N 15 122.429 0.032 . 1 . . . . 222 SER N . 25443 1 stop_ save_