data_17412 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17412 _Entry.Title ; GABARAPL-1 NBR1-LIR complex structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-17 _Entry.Accession_date 2011-01-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details 'NMR solution structure of the complex between a MAP1LC3 protein, GABARAPL-1, and the LIR motif of NBR1' _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 Vladimir Rogov . V. . 17412 2 Alexis Rozenknop . . . 17412 3 Natalia Rogova . Y. . 17412 4 Frank Loehr . . . 17412 5 Peter Guentert . . . 17412 6 Ivan Dikic . . . 17412 7 Volker Doetsch . . . 17412 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' . 17412 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GABARAP proteins' . 17412 'LC3 proteins' . 17412 LIR . 17412 NBR1 . 17412 'selective autophagy' . 17412 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17412 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 17412 '15N chemical shifts' 110 17412 '1H chemical shifts' 881 17412 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-07-01 2011-01-17 update BMRB 'update entry citation' 17412 1 . . 2011-06-02 2011-01-17 original author 'original release' 17412 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8J 'BMRB Entry Tracking System' 17412 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17412 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21620860 _Citation.Full_citation . _Citation.Title 'Characterization of the Interaction of GABARAPL-1 with the LIR Motif of NBR1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 410 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 477 _Citation.Page_last 487 _Citation.Year 2011 _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 Alexis Rozenknop . . . 17412 1 2 Vladimir Rogov . V. . 17412 1 3 'Natalia Yu' Rogova . . . 17412 1 4 Frank Lohr . . . 17412 1 5 Peter Guntert . . . 17412 1 6 Ivan Dikic . . . 17412 1 7 Volker Dotsch . . . 17412 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17412 _Assembly.ID 1 _Assembly.Name 'GABARAPL-1 and NBR1-LIR complex' _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 GABARAPL-1 1 $GABARAPL-1 A . yes native no no . . . 17412 1 2 NBR1-LIR 2 $NBR1-LIR B . yes native no no . . . 17412 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GABARAPL-1 _Entity.Sf_category entity _Entity.Sf_framecode GABARAPL-1 _Entity.Entry_ID 17412 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GABARAPL-1 _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 ; GSPEFKFQYKEDHPFEYRKK EGEKIRKKYPDRVPVIVEKA PKARVPDLDKRKYLVPSDLT VGQFYFLIRKRIHLRPEDAL FFFVNNTIPPTSATMGQLYE DNHEEDYFLYVAYSDESVY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native cloning artefact' _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14268.327 _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 PDB 2L8J . "Gabarapl-1 Nbr1-Lir Complex Structure" . . . . . 99.16 119 100.00 100.00 2.75e-78 . . . . 17412 1 2 no PDB 2R2Q . "Crystal Structure Of Human Gamma-Aminobutyric Acid Receptor- Associated Protein-Like 1 (Gabarap1), Isoform Cra_a" . . . . . 91.60 110 100.00 100.00 1.77e-71 . . . . 17412 1 3 no DBJ BAA95100 . "unnamed protein product [Mus musculus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 4 no DBJ BAB27950 . "unnamed protein product [Mus musculus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 5 no DBJ BAB29146 . "unnamed protein product [Mus musculus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 6 no DBJ BAB29690 . "unnamed protein product [Mus musculus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 7 no DBJ BAB31345 . "unnamed protein product [Mus musculus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 8 no EMBL CAB66611 . "hypothetical protein [Homo sapiens]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 9 no EMBL CAG38511 . "GABARAPL1 [Homo sapiens]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 10 no EMBL CAH89636 . "hypothetical protein [Pongo abelii]" . . . . . 96.64 117 98.26 98.26 5.42e-74 . . . . 17412 1 11 no EMBL CAL38063 . "hypothetical protein [synthetic construct]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 12 no EMBL CAL38067 . "hypothetical protein, partial [synthetic construct]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 13 no GB AAH04602 . "Gamma-aminobutyric acid (GABA(A)) receptor-associated protein-like 1 [Mus musculus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 14 no GB AAH09309 . "GABA(A) receptor-associated protein like 1 [Homo sapiens]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 15 no GB AAH24706 . "Gamma-aminobutyric acid (GABA(A)) receptor-associated protein-like 1 [Mus musculus]" . . . . . 96.64 117 98.26 99.13 1.28e-74 . . . . 17412 1 16 no GB AAH28315 . "GABA(A) receptor-associated protein like 1 [Homo sapiens]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 17 no GB AAH72921 . "MGC80393 protein [Xenopus laevis]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 18 no REF NP_001025652 . "gamma-aminobutyric acid receptor-associated protein-like 1 [Xenopus (Silurana) tropicalis]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 19 no REF NP_001028788 . "gamma-aminobutyric acid receptor-associated protein-like 1 [Bos taurus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 20 no REF NP_001037759 . "gamma-aminobutyric acid receptor-associated protein-like 1 [Rattus norvegicus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 21 no REF NP_001085553 . "GABA(A) receptor-associated protein like 1 [Xenopus laevis]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 22 no REF NP_001088067 . "GABA(A) receptor-associated protein like 1 [Xenopus laevis]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 23 no SP P60518 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 24 no SP Q0VGK0 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 25 no SP Q5BIZ2 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 26 no SP Q5RF21 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" . . . . . 96.64 117 98.26 98.26 5.42e-74 . . . . 17412 1 27 no SP Q6GQ27 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 1 28 no TPG DAA29267 . "TPA: gamma-aminobutyric acid receptor-associated protein-like 1 [Bos taurus]" . . . . . 96.64 117 99.13 99.13 3.25e-75 . . . . 17412 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 -3 GLY . 17412 1 2 -2 SER . 17412 1 3 -1 PRO . 17412 1 4 0 GLU . 17412 1 5 1 PHE . 17412 1 6 2 LYS . 17412 1 7 3 PHE . 17412 1 8 4 GLN . 17412 1 9 5 TYR . 17412 1 10 6 LYS . 17412 1 11 7 GLU . 17412 1 12 8 ASP . 17412 1 13 9 HIS . 17412 1 14 10 PRO . 17412 1 15 11 PHE . 17412 1 16 12 GLU . 17412 1 17 13 TYR . 17412 1 18 14 ARG . 17412 1 19 15 LYS . 17412 1 20 16 LYS . 17412 1 21 17 GLU . 17412 1 22 18 GLY . 17412 1 23 19 GLU . 17412 1 24 20 LYS . 17412 1 25 21 ILE . 17412 1 26 22 ARG . 17412 1 27 23 LYS . 17412 1 28 24 LYS . 17412 1 29 25 TYR . 17412 1 30 26 PRO . 17412 1 31 27 ASP . 17412 1 32 28 ARG . 17412 1 33 29 VAL . 17412 1 34 30 PRO . 17412 1 35 31 VAL . 17412 1 36 32 ILE . 17412 1 37 33 VAL . 17412 1 38 34 GLU . 17412 1 39 35 LYS . 17412 1 40 36 ALA . 17412 1 41 37 PRO . 17412 1 42 38 LYS . 17412 1 43 39 ALA . 17412 1 44 40 ARG . 17412 1 45 41 VAL . 17412 1 46 42 PRO . 17412 1 47 43 ASP . 17412 1 48 44 LEU . 17412 1 49 45 ASP . 17412 1 50 46 LYS . 17412 1 51 47 ARG . 17412 1 52 48 LYS . 17412 1 53 49 TYR . 17412 1 54 50 LEU . 17412 1 55 51 VAL . 17412 1 56 52 PRO . 17412 1 57 53 SER . 17412 1 58 54 ASP . 17412 1 59 55 LEU . 17412 1 60 56 THR . 17412 1 61 57 VAL . 17412 1 62 58 GLY . 17412 1 63 59 GLN . 17412 1 64 60 PHE . 17412 1 65 61 TYR . 17412 1 66 62 PHE . 17412 1 67 63 LEU . 17412 1 68 64 ILE . 17412 1 69 65 ARG . 17412 1 70 66 LYS . 17412 1 71 67 ARG . 17412 1 72 68 ILE . 17412 1 73 69 HIS . 17412 1 74 70 LEU . 17412 1 75 71 ARG . 17412 1 76 72 PRO . 17412 1 77 73 GLU . 17412 1 78 74 ASP . 17412 1 79 75 ALA . 17412 1 80 76 LEU . 17412 1 81 77 PHE . 17412 1 82 78 PHE . 17412 1 83 79 PHE . 17412 1 84 80 VAL . 17412 1 85 81 ASN . 17412 1 86 82 ASN . 17412 1 87 83 THR . 17412 1 88 84 ILE . 17412 1 89 85 PRO . 17412 1 90 86 PRO . 17412 1 91 87 THR . 17412 1 92 88 SER . 17412 1 93 89 ALA . 17412 1 94 90 THR . 17412 1 95 91 MET . 17412 1 96 92 GLY . 17412 1 97 93 GLN . 17412 1 98 94 LEU . 17412 1 99 95 TYR . 17412 1 100 96 GLU . 17412 1 101 97 ASP . 17412 1 102 98 ASN . 17412 1 103 99 HIS . 17412 1 104 100 GLU . 17412 1 105 101 GLU . 17412 1 106 102 ASP . 17412 1 107 103 TYR . 17412 1 108 104 PHE . 17412 1 109 105 LEU . 17412 1 110 106 TYR . 17412 1 111 107 VAL . 17412 1 112 108 ALA . 17412 1 113 109 TYR . 17412 1 114 110 SER . 17412 1 115 111 ASP . 17412 1 116 112 GLU . 17412 1 117 113 SER . 17412 1 118 114 VAL . 17412 1 119 115 TYR . 17412 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 17412 1 . SER 2 2 17412 1 . PRO 3 3 17412 1 . GLU 4 4 17412 1 . PHE 5 5 17412 1 . LYS 6 6 17412 1 . PHE 7 7 17412 1 . GLN 8 8 17412 1 . TYR 9 9 17412 1 . LYS 10 10 17412 1 . GLU 11 11 17412 1 . ASP 12 12 17412 1 . HIS 13 13 17412 1 . PRO 14 14 17412 1 . PHE 15 15 17412 1 . GLU 16 16 17412 1 . TYR 17 17 17412 1 . ARG 18 18 17412 1 . LYS 19 19 17412 1 . LYS 20 20 17412 1 . GLU 21 21 17412 1 . GLY 22 22 17412 1 . GLU 23 23 17412 1 . LYS 24 24 17412 1 . ILE 25 25 17412 1 . ARG 26 26 17412 1 . LYS 27 27 17412 1 . LYS 28 28 17412 1 . TYR 29 29 17412 1 . PRO 30 30 17412 1 . ASP 31 31 17412 1 . ARG 32 32 17412 1 . VAL 33 33 17412 1 . PRO 34 34 17412 1 . VAL 35 35 17412 1 . ILE 36 36 17412 1 . VAL 37 37 17412 1 . GLU 38 38 17412 1 . LYS 39 39 17412 1 . ALA 40 40 17412 1 . PRO 41 41 17412 1 . LYS 42 42 17412 1 . ALA 43 43 17412 1 . ARG 44 44 17412 1 . VAL 45 45 17412 1 . PRO 46 46 17412 1 . ASP 47 47 17412 1 . LEU 48 48 17412 1 . ASP 49 49 17412 1 . LYS 50 50 17412 1 . ARG 51 51 17412 1 . LYS 52 52 17412 1 . TYR 53 53 17412 1 . LEU 54 54 17412 1 . VAL 55 55 17412 1 . PRO 56 56 17412 1 . SER 57 57 17412 1 . ASP 58 58 17412 1 . LEU 59 59 17412 1 . THR 60 60 17412 1 . VAL 61 61 17412 1 . GLY 62 62 17412 1 . GLN 63 63 17412 1 . PHE 64 64 17412 1 . TYR 65 65 17412 1 . PHE 66 66 17412 1 . LEU 67 67 17412 1 . ILE 68 68 17412 1 . ARG 69 69 17412 1 . LYS 70 70 17412 1 . ARG 71 71 17412 1 . ILE 72 72 17412 1 . HIS 73 73 17412 1 . LEU 74 74 17412 1 . ARG 75 75 17412 1 . PRO 76 76 17412 1 . GLU 77 77 17412 1 . ASP 78 78 17412 1 . ALA 79 79 17412 1 . LEU 80 80 17412 1 . PHE 81 81 17412 1 . PHE 82 82 17412 1 . PHE 83 83 17412 1 . VAL 84 84 17412 1 . ASN 85 85 17412 1 . ASN 86 86 17412 1 . THR 87 87 17412 1 . ILE 88 88 17412 1 . PRO 89 89 17412 1 . PRO 90 90 17412 1 . THR 91 91 17412 1 . SER 92 92 17412 1 . ALA 93 93 17412 1 . THR 94 94 17412 1 . MET 95 95 17412 1 . GLY 96 96 17412 1 . GLN 97 97 17412 1 . LEU 98 98 17412 1 . TYR 99 99 17412 1 . GLU 100 100 17412 1 . ASP 101 101 17412 1 . ASN 102 102 17412 1 . HIS 103 103 17412 1 . GLU 104 104 17412 1 . GLU 105 105 17412 1 . ASP 106 106 17412 1 . TYR 107 107 17412 1 . PHE 108 108 17412 1 . LEU 109 109 17412 1 . TYR 110 110 17412 1 . VAL 111 111 17412 1 . ALA 112 112 17412 1 . TYR 113 113 17412 1 . SER 114 114 17412 1 . ASP 115 115 17412 1 . GLU 116 116 17412 1 . SER 117 117 17412 1 . VAL 118 118 17412 1 . TYR 119 119 17412 1 stop_ save_ save_NBR1-LIR _Entity.Sf_category entity _Entity.Sf_framecode NBR1-LIR _Entity.Entry_ID 17412 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NBR1-LIR _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 GAMGSASSEDYIIILPES _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 and 18 represent a non-native cloning artefact' _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1840.027 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2013-12-02 loop_ _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 no PDB 2L8J . "Gabarapl-1 Nbr1-Lir Complex Structure" . . . . . 100.00 18 100.00 100.00 3.10e-02 . . . . 17412 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 722 GLY . 17412 2 2 723 ALA . 17412 2 3 724 MET . 17412 2 4 725 GLY . 17412 2 5 726 SER . 17412 2 6 727 ALA . 17412 2 7 728 SER . 17412 2 8 729 SER . 17412 2 9 730 GLU . 17412 2 10 731 ASP . 17412 2 11 732 TYR . 17412 2 12 733 ILE . 17412 2 13 734 ILE . 17412 2 14 735 ILE . 17412 2 15 736 LEU . 17412 2 16 737 PRO . 17412 2 17 738 GLU . 17412 2 18 739 SER . 17412 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 17412 2 . ALA 2 2 17412 2 . MET 3 3 17412 2 . GLY 4 4 17412 2 . SER 5 5 17412 2 . ALA 6 6 17412 2 . SER 7 7 17412 2 . SER 8 8 17412 2 . GLU 9 9 17412 2 . ASP 10 10 17412 2 . TYR 11 11 17412 2 . ILE 12 12 17412 2 . ILE 13 13 17412 2 . ILE 14 14 17412 2 . LEU 15 15 17412 2 . PRO 16 16 17412 2 . GLU 17 17 17412 2 . SER 18 18 17412 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 17412 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GABARAPL-1 9606 . organism Man 'Homo sapiens' . . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17412 1 2 2 $NBR1-LIR 9606 . organism Man 'Homo sapiens' . . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17412 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 17412 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GABARAPL-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli NEBT7 . . . . . . . . . . . . . . . pGEX4T1 . . . . . . 17412 1 2 2 $NBR1-LIR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli NEBT7 . . . . . . . . . . . . . . . pET60m_Ub . . . . . . 17412 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17412 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 GABARAPL-1 '[U-98% 15N]' . . 1 $GABARAPL-1 . . 0.6 . . mM 0.05 . . . 17412 1 2 NBR1-LIR 'natural abundance' . . 2 $NBR1-LIR . . 0.9 . . mM 0.05 . . . 17412 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17412 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17412 1 5 'sodium azide' 'natural abundance' . . . . . . 4.6 . . mM . . . . 17412 1 6 'protease inhibitor cocktail' 'natural abundance' . . . . . . 1 . . mM . . . . 17412 1 7 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 17412 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17412 1 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17412 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17412 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 GABARAPL-1 '[U-98% 13C; U-98% 15N]' . . 1 $GABARAPL-1 . . 0.6 . . mM 0.05 . . . 17412 2 2 NBR1-LIR 'natural abundance' . . 2 $NBR1-LIR . . 0.9 . . mM 0.05 . . . 17412 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17412 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17412 2 5 'sodium azide' 'natural abundance' . . . . . . 4.6 . . mM . . . . 17412 2 6 'protease inhibitor cocktail' 'natural abundance' . . . . . . 1 . . mM . . . . 17412 2 7 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 17412 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17412 2 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17412 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17412 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 GABARAPL-1 'natural abundance' . . 1 $GABARAPL-1 . . 0.9 . . mM 0.05 . . . 17412 3 2 NBR1-LIR '[U-98% 15N]' . . 2 $NBR1-LIR . . 0.6 . . mM 0.05 . . . 17412 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17412 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17412 3 5 'sodium azide' 'natural abundance' . . . . . . 4.6 . . mM . . . . 17412 3 6 'protease inhibitor cocktail' 'natural abundance' . . . . . . 1 . . mM . . . . 17412 3 7 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 17412 3 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17412 3 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17412 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17412 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 GABARAPL-1 'natural abundance' . . 1 $GABARAPL-1 . . 0.9 . . mM 0.05 . . . 17412 4 2 NBR1-LIR '[U-98% 13C; U-98% 15N]' . . 2 $NBR1-LIR . . 0.6 . . mM 0.05 . . . 17412 4 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17412 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17412 4 5 'sodium azide' 'natural abundance' . . . . . . 4.6 . . mM . . . . 17412 4 6 'protease inhibitor cocktail' 'natural abundance' . . . . . . 1 . . mM . . . . 17412 4 7 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 17412 4 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17412 4 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17412 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17412 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17412 1 pH 7.0 . pH 17412 1 pressure 1 . atm 17412 1 temperature 298 . K 17412 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17412 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17412 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17412 1 processing 17412 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17412 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17412 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17412 2 'data analysis' 17412 2 'peak picking' 17412 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17412 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17412 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17412 3 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 17412 _Software.ID 4 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart, D. S. & Sykes, B. D.' . . 17412 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17412 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17412 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17412 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17412 5 'structure solution' 17412 5 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 17412 _Software.ID 6 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17412 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17412 6 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 17412 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 17412 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17412 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _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 17412 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17412 _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 . . . 17412 1 2 spectrometer_2 Bruker Avance . 800 . . . 17412 1 3 spectrometer_3 Bruker Avance . 700 . . . 17412 1 4 spectrometer_4 Bruker Avance . 600 . . . 17412 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 17412 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 8 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 13 TROSY-H(CCCO)NH-TOCSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 14 (H)CC(CO)NH-TOCSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 15 '3D HNCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 16 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 19 '3D H(C)CH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 20 TROSY-H(CCCO)NH-TOCSY no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 1 21 (H)CC(CO)NH-TOCSY no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17412 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 17412 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 17412 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 17412 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 17412 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17412 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17412 1 2 '2D 1H-15N HSQC' . . . 17412 1 3 '2D 1H-13C HSQC' . . . 17412 1 4 '2D 1H-13C HSQC aliphatic' . . . 17412 1 5 '2D 1H-13C HSQC aromatic' . . . 17412 1 6 '2D 1H-13C HSQC' . . . 17412 1 7 '3D HNCO' . . . 17412 1 8 '3D HN(CA)CO' . . . 17412 1 9 '3D HNCA' . . . 17412 1 10 '3D HNCACB' . . . 17412 1 11 '3D 1H-15N NOESY' . . . 17412 1 12 '3D 1H-13C NOESY' . . . 17412 1 13 TROSY-H(CCCO)NH-TOCSY . . . 17412 1 14 (H)CC(CO)NH-TOCSY . . . 17412 1 15 '3D HNCA' . . . 17412 1 16 '3D HNCACB' . . . 17412 1 17 '3D 1H-15N NOESY' . . . 17412 1 18 '3D 1H-13C NOESY' . . . 17412 1 19 '3D H(C)CH-TOCSY' . . . 17412 1 20 TROSY-H(CCCO)NH-TOCSY . . . 17412 1 21 (H)CC(CO)NH-TOCSY . . . 17412 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 3 3 PRO HA H 1 4.286 0.020 . 1 . . . A -1 PRO HA . 17412 1 2 . 1 1 3 3 PRO HB2 H 1 1.984 0.020 . 2 . . . A -1 PRO HB2 . 17412 1 3 . 1 1 3 3 PRO HB3 H 1 1.843 0.020 . 2 . . . A -1 PRO HB3 . 17412 1 4 . 1 1 3 3 PRO HG2 H 1 1.840 0.020 . 2 . . . A -1 PRO HG2 . 17412 1 5 . 1 1 3 3 PRO HG3 H 1 1.610 0.020 . 2 . . . A -1 PRO HG3 . 17412 1 6 . 1 1 3 3 PRO HD2 H 1 3.655 0.020 . 2 . . . A -1 PRO HD2 . 17412 1 7 . 1 1 3 3 PRO HD3 H 1 3.655 0.020 . 2 . . . A -1 PRO HD3 . 17412 1 8 . 1 1 3 3 PRO C C 13 176.190 0.400 . 1 . . . A -1 PRO C . 17412 1 9 . 1 1 3 3 PRO CA C 13 63.200 0.400 . 1 . . . A -1 PRO CA . 17412 1 10 . 1 1 3 3 PRO CB C 13 31.860 0.400 . 1 . . . A -1 PRO CB . 17412 1 11 . 1 1 3 3 PRO CG C 13 27.270 0.400 . 1 . . . A -1 PRO CG . 17412 1 12 . 1 1 3 3 PRO CD C 13 50.530 0.400 . 1 . . . A -1 PRO CD . 17412 1 13 . 1 1 4 4 GLU H H 1 8.245 0.020 . 1 . . . A 0 GLU H . 17412 1 14 . 1 1 4 4 GLU HA H 1 4.185 0.020 . 1 . . . A 0 GLU HA . 17412 1 15 . 1 1 4 4 GLU HB2 H 1 1.843 0.020 . 2 . . . A 0 GLU HB2 . 17412 1 16 . 1 1 4 4 GLU HB3 H 1 1.843 0.020 . 2 . . . A 0 GLU HB3 . 17412 1 17 . 1 1 4 4 GLU HG2 H 1 2.127 0.020 . 2 . . . A 0 GLU HG2 . 17412 1 18 . 1 1 4 4 GLU HG3 H 1 2.127 0.020 . 2 . . . A 0 GLU HG3 . 17412 1 19 . 1 1 4 4 GLU C C 13 175.680 0.400 . 1 . . . A 0 GLU C . 17412 1 20 . 1 1 4 4 GLU CA C 13 56.151 0.400 . 1 . . . A 0 GLU CA . 17412 1 21 . 1 1 4 4 GLU CB C 13 30.390 0.400 . 1 . . . A 0 GLU CB . 17412 1 22 . 1 1 4 4 GLU CG C 13 36.192 0.400 . 1 . . . A 0 GLU CG . 17412 1 23 . 1 1 4 4 GLU N N 15 120.766 0.400 . 1 . . . A 0 GLU N . 17412 1 24 . 1 1 5 5 PHE H H 1 8.139 0.020 . 1 . . . A 1 PHE H . 17412 1 25 . 1 1 5 5 PHE HA H 1 4.348 0.020 . 1 . . . A 1 PHE HA . 17412 1 26 . 1 1 5 5 PHE HB2 H 1 2.809 0.020 . 2 . . . A 1 PHE HB2 . 17412 1 27 . 1 1 5 5 PHE HB3 H 1 2.809 0.020 . 2 . . . A 1 PHE HB3 . 17412 1 28 . 1 1 5 5 PHE HD1 H 1 6.734 0.020 . 3 . . . A 1 PHE HD1 . 17412 1 29 . 1 1 5 5 PHE HD2 H 1 6.734 0.020 . 3 . . . A 1 PHE HD2 . 17412 1 30 . 1 1 5 5 PHE C C 13 174.612 0.400 . 1 . . . A 1 PHE C . 17412 1 31 . 1 1 5 5 PHE CA C 13 57.477 0.400 . 1 . . . A 1 PHE CA . 17412 1 32 . 1 1 5 5 PHE CB C 13 39.381 0.400 . 1 . . . A 1 PHE CB . 17412 1 33 . 1 1 5 5 PHE N N 15 122.365 0.400 . 1 . . . A 1 PHE N . 17412 1 34 . 1 1 6 6 LYS H H 1 7.923 0.020 . 1 . . . A 2 LYS H . 17412 1 35 . 1 1 6 6 LYS HA H 1 4.427 0.020 . 1 . . . A 2 LYS HA . 17412 1 36 . 1 1 6 6 LYS HB2 H 1 1.645 0.020 . 2 . . . A 2 LYS HB2 . 17412 1 37 . 1 1 6 6 LYS HB3 H 1 1.574 0.020 . 2 . . . A 2 LYS HB3 . 17412 1 38 . 1 1 6 6 LYS HG2 H 1 1.355 0.020 . 2 . . . A 2 LYS HG2 . 17412 1 39 . 1 1 6 6 LYS HG3 H 1 1.297 0.020 . 2 . . . A 2 LYS HG3 . 17412 1 40 . 1 1 6 6 LYS HD2 H 1 1.579 0.020 . 2 . . . A 2 LYS HD2 . 17412 1 41 . 1 1 6 6 LYS HD3 H 1 1.579 0.020 . 2 . . . A 2 LYS HD3 . 17412 1 42 . 1 1 6 6 LYS C C 13 175.064 0.400 . 1 . . . A 2 LYS C . 17412 1 43 . 1 1 6 6 LYS CA C 13 55.171 0.400 . 1 . . . A 2 LYS CA . 17412 1 44 . 1 1 6 6 LYS CB C 13 33.291 0.400 . 1 . . . A 2 LYS CB . 17412 1 45 . 1 1 6 6 LYS CG C 13 24.512 0.400 . 1 . . . A 2 LYS CG . 17412 1 46 . 1 1 6 6 LYS CD C 13 29.022 0.400 . 1 . . . A 2 LYS CD . 17412 1 47 . 1 1 6 6 LYS CE C 13 42.105 0.400 . 1 . . . A 2 LYS CE . 17412 1 48 . 1 1 6 6 LYS N N 15 124.903 0.400 . 1 . . . A 2 LYS N . 17412 1 49 . 1 1 7 7 PHE H H 1 8.417 0.020 . 1 . . . A 3 PHE H . 17412 1 50 . 1 1 7 7 PHE HA H 1 4.537 0.020 . 1 . . . A 3 PHE HA . 17412 1 51 . 1 1 7 7 PHE HB2 H 1 2.624 0.020 . 2 . . . A 3 PHE HB2 . 17412 1 52 . 1 1 7 7 PHE HB3 H 1 3.199 0.020 . 2 . . . A 3 PHE HB3 . 17412 1 53 . 1 1 7 7 PHE HD1 H 1 7.294 0.020 . 3 . . . A 3 PHE HD1 . 17412 1 54 . 1 1 7 7 PHE HD2 H 1 7.294 0.020 . 3 . . . A 3 PHE HD2 . 17412 1 55 . 1 1 7 7 PHE HE1 H 1 7.404 0.020 . 3 . . . A 3 PHE HE1 . 17412 1 56 . 1 1 7 7 PHE HE2 H 1 7.404 0.020 . 3 . . . A 3 PHE HE2 . 17412 1 57 . 1 1 7 7 PHE CA C 13 58.298 0.400 . 1 . . . A 3 PHE CA . 17412 1 58 . 1 1 7 7 PHE CB C 13 39.777 0.400 . 1 . . . A 3 PHE CB . 17412 1 59 . 1 1 7 7 PHE CD2 C 13 131.675 0.400 . 3 . . . A 3 PHE CD2 . 17412 1 60 . 1 1 7 7 PHE CE2 C 13 131.788 0.400 . 3 . . . A 3 PHE CE2 . 17412 1 61 . 1 1 7 7 PHE N N 15 123.201 0.400 . 1 . . . A 3 PHE N . 17412 1 62 . 1 1 9 9 TYR HB2 H 1 3.440 0.020 . 2 . . . A 5 TYR HB2 . 17412 1 63 . 1 1 9 9 TYR HB3 H 1 2.744 0.020 . 2 . . . A 5 TYR HB3 . 17412 1 64 . 1 1 9 9 TYR HD1 H 1 7.183 0.020 . 3 . . . A 5 TYR HD1 . 17412 1 65 . 1 1 9 9 TYR HE1 H 1 6.225 0.020 . 3 . . . A 5 TYR HE1 . 17412 1 66 . 1 1 9 9 TYR HE2 H 1 6.225 0.020 . 3 . . . A 5 TYR HE2 . 17412 1 67 . 1 1 9 9 TYR CD1 C 13 133.055 0.400 . 3 . . . A 5 TYR CD1 . 17412 1 68 . 1 1 9 9 TYR CE1 C 13 117.941 0.400 . 3 . . . A 5 TYR CE1 . 17412 1 69 . 1 1 13 13 HIS HD2 H 1 6.376 0.020 . 1 . . . A 9 HIS HD2 . 17412 1 70 . 1 1 13 13 HIS CD2 C 13 128.179 0.400 . 1 . . . A 9 HIS CD2 . 17412 1 71 . 1 1 15 15 PHE HA H 1 3.985 0.020 . 1 . . . A 11 PHE HA . 17412 1 72 . 1 1 15 15 PHE HB2 H 1 3.473 0.020 . 2 . . . A 11 PHE HB2 . 17412 1 73 . 1 1 15 15 PHE HB3 H 1 3.006 0.020 . 2 . . . A 11 PHE HB3 . 17412 1 74 . 1 1 15 15 PHE HD1 H 1 7.315 0.020 . 3 . . . A 11 PHE HD1 . 17412 1 75 . 1 1 15 15 PHE HD2 H 1 7.315 0.020 . 3 . . . A 11 PHE HD2 . 17412 1 76 . 1 1 15 15 PHE C C 13 175.911 0.400 . 1 . . . A 11 PHE C . 17412 1 77 . 1 1 15 15 PHE CA C 13 63.038 0.400 . 1 . . . A 11 PHE CA . 17412 1 78 . 1 1 15 15 PHE CB C 13 39.655 0.400 . 1 . . . A 11 PHE CB . 17412 1 79 . 1 1 15 15 PHE CD1 C 13 131.930 0.400 . 3 . . . A 11 PHE CD1 . 17412 1 80 . 1 1 16 16 GLU H H 1 9.514 0.020 . 1 . . . A 12 GLU H . 17412 1 81 . 1 1 16 16 GLU HA H 1 3.732 0.020 . 1 . . . A 12 GLU HA . 17412 1 82 . 1 1 16 16 GLU HB2 H 1 2.100 0.020 . 2 . . . A 12 GLU HB2 . 17412 1 83 . 1 1 16 16 GLU HB3 H 1 2.027 0.020 . 2 . . . A 12 GLU HB3 . 17412 1 84 . 1 1 16 16 GLU HG2 H 1 2.427 0.020 . 2 . . . A 12 GLU HG2 . 17412 1 85 . 1 1 16 16 GLU HG3 H 1 2.427 0.020 . 2 . . . A 12 GLU HG3 . 17412 1 86 . 1 1 16 16 GLU C C 13 178.856 0.400 . 1 . . . A 12 GLU C . 17412 1 87 . 1 1 16 16 GLU CA C 13 60.168 0.400 . 1 . . . A 12 GLU CA . 17412 1 88 . 1 1 16 16 GLU CB C 13 28.899 0.400 . 1 . . . A 12 GLU CB . 17412 1 89 . 1 1 16 16 GLU CG C 13 36.569 0.400 . 1 . . . A 12 GLU CG . 17412 1 90 . 1 1 16 16 GLU N N 15 115.891 0.400 . 1 . . . A 12 GLU N . 17412 1 91 . 1 1 17 17 TYR H H 1 6.972 0.020 . 1 . . . A 13 TYR H . 17412 1 92 . 1 1 17 17 TYR HA H 1 4.202 0.020 . 1 . . . A 13 TYR HA . 17412 1 93 . 1 1 17 17 TYR HB2 H 1 3.280 0.020 . 2 . . . A 13 TYR HB2 . 17412 1 94 . 1 1 17 17 TYR HB3 H 1 3.195 0.020 . 2 . . . A 13 TYR HB3 . 17412 1 95 . 1 1 17 17 TYR HD1 H 1 6.985 0.020 . 3 . . . A 13 TYR HD1 . 17412 1 96 . 1 1 17 17 TYR HD2 H 1 6.985 0.020 . 3 . . . A 13 TYR HD2 . 17412 1 97 . 1 1 17 17 TYR CA C 13 60.635 0.400 . 1 . . . A 13 TYR CA . 17412 1 98 . 1 1 17 17 TYR CB C 13 37.988 0.400 . 1 . . . A 13 TYR CB . 17412 1 99 . 1 1 17 17 TYR CD1 C 13 132.868 0.400 . 3 . . . A 13 TYR CD1 . 17412 1 100 . 1 1 17 17 TYR N N 15 118.519 0.400 . 1 . . . A 13 TYR N . 17412 1 101 . 1 1 18 18 ARG H H 1 8.050 0.020 . 1 . . . A 14 ARG H . 17412 1 102 . 1 1 19 19 LYS H H 1 8.840 0.020 . 1 . . . A 15 LYS H . 17412 1 103 . 1 1 19 19 LYS HA H 1 4.375 0.020 . 1 . . . A 15 LYS HA . 17412 1 104 . 1 1 19 19 LYS HB2 H 1 1.454 0.020 . 2 . . . A 15 LYS HB2 . 17412 1 105 . 1 1 19 19 LYS HB3 H 1 0.956 0.020 . 2 . . . A 15 LYS HB3 . 17412 1 106 . 1 1 19 19 LYS HG2 H 1 1.509 0.020 . 2 . . . A 15 LYS HG2 . 17412 1 107 . 1 1 19 19 LYS HG3 H 1 1.431 0.020 . 2 . . . A 15 LYS HG3 . 17412 1 108 . 1 1 19 19 LYS HD2 H 1 1.764 0.020 . 2 . . . A 15 LYS HD2 . 17412 1 109 . 1 1 19 19 LYS HD3 H 1 1.648 0.020 . 2 . . . A 15 LYS HD3 . 17412 1 110 . 1 1 19 19 LYS HE2 H 1 3.073 0.020 . 2 . . . A 15 LYS HE2 . 17412 1 111 . 1 1 19 19 LYS HE3 H 1 2.800 0.020 . 2 . . . A 15 LYS HE3 . 17412 1 112 . 1 1 19 19 LYS C C 13 178.200 0.400 . 1 . . . A 15 LYS C . 17412 1 113 . 1 1 19 19 LYS CA C 13 58.963 0.400 . 1 . . . A 15 LYS CA . 17412 1 114 . 1 1 19 19 LYS CB C 13 32.146 0.400 . 1 . . . A 15 LYS CB . 17412 1 115 . 1 1 19 19 LYS CG C 13 25.277 0.400 . 1 . . . A 15 LYS CG . 17412 1 116 . 1 1 19 19 LYS CD C 13 30.100 0.400 . 1 . . . A 15 LYS CD . 17412 1 117 . 1 1 19 19 LYS CE C 13 42.485 0.400 . 1 . . . A 15 LYS CE . 17412 1 118 . 1 1 19 19 LYS N N 15 118.047 0.400 . 1 . . . A 15 LYS N . 17412 1 119 . 1 1 20 20 LYS H H 1 7.289 0.020 . 1 . . . A 16 LYS H . 17412 1 120 . 1 1 20 20 LYS HA H 1 4.084 0.020 . 1 . . . A 16 LYS HA . 17412 1 121 . 1 1 20 20 LYS HB2 H 1 1.852 0.020 . 2 . . . A 16 LYS HB2 . 17412 1 122 . 1 1 20 20 LYS HB3 H 1 1.852 0.020 . 2 . . . A 16 LYS HB3 . 17412 1 123 . 1 1 20 20 LYS HG2 H 1 1.444 0.020 . 2 . . . A 16 LYS HG2 . 17412 1 124 . 1 1 20 20 LYS HG3 H 1 1.581 0.020 . 2 . . . A 16 LYS HG3 . 17412 1 125 . 1 1 20 20 LYS HD2 H 1 1.679 0.020 . 2 . . . A 16 LYS HD2 . 17412 1 126 . 1 1 20 20 LYS HD3 H 1 1.679 0.020 . 2 . . . A 16 LYS HD3 . 17412 1 127 . 1 1 20 20 LYS HE2 H 1 2.956 0.020 . 2 . . . A 16 LYS HE2 . 17412 1 128 . 1 1 20 20 LYS HE3 H 1 2.956 0.020 . 2 . . . A 16 LYS HE3 . 17412 1 129 . 1 1 20 20 LYS C C 13 179.543 0.400 . 1 . . . A 16 LYS C . 17412 1 130 . 1 1 20 20 LYS CA C 13 59.294 0.400 . 1 . . . A 16 LYS CA . 17412 1 131 . 1 1 20 20 LYS CB C 13 32.311 0.400 . 1 . . . A 16 LYS CB . 17412 1 132 . 1 1 20 20 LYS CG C 13 25.326 0.400 . 1 . . . A 16 LYS CG . 17412 1 133 . 1 1 20 20 LYS CD C 13 29.302 0.400 . 1 . . . A 16 LYS CD . 17412 1 134 . 1 1 20 20 LYS CE C 13 42.075 0.400 . 1 . . . A 16 LYS CE . 17412 1 135 . 1 1 20 20 LYS N N 15 117.328 0.400 . 1 . . . A 16 LYS N . 17412 1 136 . 1 1 21 21 GLU H H 1 7.743 0.020 . 1 . . . A 17 GLU H . 17412 1 137 . 1 1 21 21 GLU HA H 1 4.024 0.020 . 1 . . . A 17 GLU HA . 17412 1 138 . 1 1 21 21 GLU HB2 H 1 1.856 0.020 . 2 . . . A 17 GLU HB2 . 17412 1 139 . 1 1 21 21 GLU HB3 H 1 2.200 0.020 . 2 . . . A 17 GLU HB3 . 17412 1 140 . 1 1 21 21 GLU HG2 H 1 2.240 0.020 . 2 . . . A 17 GLU HG2 . 17412 1 141 . 1 1 21 21 GLU HG3 H 1 2.315 0.020 . 2 . . . A 17 GLU HG3 . 17412 1 142 . 1 1 21 21 GLU C C 13 178.826 0.400 . 1 . . . A 17 GLU C . 17412 1 143 . 1 1 21 21 GLU CA C 13 59.539 0.400 . 1 . . . A 17 GLU CA . 17412 1 144 . 1 1 21 21 GLU CB C 13 28.993 0.400 . 1 . . . A 17 GLU CB . 17412 1 145 . 1 1 21 21 GLU CG C 13 36.364 0.400 . 1 . . . A 17 GLU CG . 17412 1 146 . 1 1 21 21 GLU N N 15 120.014 0.400 . 1 . . . A 17 GLU N . 17412 1 147 . 1 1 22 22 GLY H H 1 9.483 0.020 . 1 . . . A 18 GLY H . 17412 1 148 . 1 1 22 22 GLY HA2 H 1 4.005 0.020 . 2 . . . A 18 GLY HA2 . 17412 1 149 . 1 1 22 22 GLY HA3 H 1 3.090 0.020 . 2 . . . A 18 GLY HA3 . 17412 1 150 . 1 1 22 22 GLY CA C 13 47.067 0.400 . 1 . . . A 18 GLY CA . 17412 1 151 . 1 1 22 22 GLY N N 15 110.613 0.400 . 1 . . . A 18 GLY N . 17412 1 152 . 1 1 23 23 GLU H H 1 8.531 0.020 . 1 . . . A 19 GLU H . 17412 1 153 . 1 1 23 23 GLU HA H 1 3.285 0.020 . 1 . . . A 19 GLU HA . 17412 1 154 . 1 1 23 23 GLU HB2 H 1 1.905 0.020 . 2 . . . A 19 GLU HB2 . 17412 1 155 . 1 1 23 23 GLU HB3 H 1 1.815 0.020 . 2 . . . A 19 GLU HB3 . 17412 1 156 . 1 1 23 23 GLU HG2 H 1 2.205 0.020 . 2 . . . A 19 GLU HG2 . 17412 1 157 . 1 1 23 23 GLU HG3 H 1 1.885 0.020 . 2 . . . A 19 GLU HG3 . 17412 1 158 . 1 1 23 23 GLU C C 13 179.404 0.400 . 1 . . . A 19 GLU C . 17412 1 159 . 1 1 23 23 GLU CA C 13 59.460 0.400 . 1 . . . A 19 GLU CA . 17412 1 160 . 1 1 23 23 GLU CB C 13 30.030 0.400 . 1 . . . A 19 GLU CB . 17412 1 161 . 1 1 23 23 GLU CG C 13 37.172 0.400 . 1 . . . A 19 GLU CG . 17412 1 162 . 1 1 23 23 GLU N N 15 119.879 0.400 . 1 . . . A 19 GLU N . 17412 1 163 . 1 1 24 24 LYS H H 1 7.505 0.020 . 1 . . . A 20 LYS H . 17412 1 164 . 1 1 24 24 LYS HA H 1 3.867 0.020 . 1 . . . A 20 LYS HA . 17412 1 165 . 1 1 24 24 LYS HB2 H 1 1.921 0.020 . 2 . . . A 20 LYS HB2 . 17412 1 166 . 1 1 24 24 LYS HB3 H 1 1.550 0.020 . 2 . . . A 20 LYS HB3 . 17412 1 167 . 1 1 24 24 LYS HG2 H 1 1.350 0.020 . 2 . . . A 20 LYS HG2 . 17412 1 168 . 1 1 24 24 LYS HG3 H 1 1.350 0.020 . 2 . . . A 20 LYS HG3 . 17412 1 169 . 1 1 24 24 LYS C C 13 179.743 0.400 . 1 . . . A 20 LYS C . 17412 1 170 . 1 1 24 24 LYS CA C 13 58.631 0.400 . 1 . . . A 20 LYS CA . 17412 1 171 . 1 1 24 24 LYS CB C 13 33.621 0.400 . 1 . . . A 20 LYS CB . 17412 1 172 . 1 1 24 24 LYS N N 15 118.556 0.400 . 1 . . . A 20 LYS N . 17412 1 173 . 1 1 25 25 ILE HA H 1 4.285 0.020 . 1 . . . A 21 ILE HA . 17412 1 174 . 1 1 25 25 ILE HB H 1 1.976 0.020 . 1 . . . A 21 ILE HB . 17412 1 175 . 1 1 25 25 ILE HG12 H 1 1.265 0.020 . 2 . . . A 21 ILE HG12 . 17412 1 176 . 1 1 25 25 ILE HG13 H 1 1.101 0.020 . 2 . . . A 21 ILE HG13 . 17412 1 177 . 1 1 25 25 ILE HG21 H 1 0.398 0.020 . 1 . . . A 21 ILE HG21 . 17412 1 178 . 1 1 25 25 ILE HG22 H 1 0.398 0.020 . 1 . . . A 21 ILE HG22 . 17412 1 179 . 1 1 25 25 ILE HG23 H 1 0.398 0.020 . 1 . . . A 21 ILE HG23 . 17412 1 180 . 1 1 25 25 ILE HD11 H 1 0.720 0.020 . 1 . . . A 21 ILE HD11 . 17412 1 181 . 1 1 25 25 ILE HD12 H 1 0.720 0.020 . 1 . . . A 21 ILE HD12 . 17412 1 182 . 1 1 25 25 ILE HD13 H 1 0.720 0.020 . 1 . . . A 21 ILE HD13 . 17412 1 183 . 1 1 25 25 ILE CA C 13 61.420 0.400 . 1 . . . A 21 ILE CA . 17412 1 184 . 1 1 25 25 ILE CB C 13 37.690 0.400 . 1 . . . A 21 ILE CB . 17412 1 185 . 1 1 25 25 ILE CG1 C 13 26.180 0.400 . 1 . . . A 21 ILE CG1 . 17412 1 186 . 1 1 25 25 ILE CG2 C 13 18.050 0.400 . 1 . . . A 21 ILE CG2 . 17412 1 187 . 1 1 25 25 ILE CD1 C 13 13.430 0.400 . 1 . . . A 21 ILE CD1 . 17412 1 188 . 1 1 26 26 ARG HA H 1 4.081 0.020 . 1 . . . A 22 ARG HA . 17412 1 189 . 1 1 26 26 ARG HB2 H 1 1.750 0.020 . 2 . . . A 22 ARG HB2 . 17412 1 190 . 1 1 26 26 ARG HB3 H 1 1.450 0.020 . 2 . . . A 22 ARG HB3 . 17412 1 191 . 1 1 26 26 ARG HG2 H 1 1.583 0.020 . 2 . . . A 22 ARG HG2 . 17412 1 192 . 1 1 26 26 ARG HG3 H 1 1.583 0.020 . 2 . . . A 22 ARG HG3 . 17412 1 193 . 1 1 26 26 ARG HD2 H 1 3.235 0.020 . 2 . . . A 22 ARG HD2 . 17412 1 194 . 1 1 26 26 ARG HD3 H 1 3.110 0.020 . 2 . . . A 22 ARG HD3 . 17412 1 195 . 1 1 26 26 ARG CA C 13 56.660 0.400 . 1 . . . A 22 ARG CA . 17412 1 196 . 1 1 26 26 ARG CB C 13 28.250 0.400 . 1 . . . A 22 ARG CB . 17412 1 197 . 1 1 26 26 ARG CG C 13 26.571 0.400 . 1 . . . A 22 ARG CG . 17412 1 198 . 1 1 26 26 ARG CD C 13 41.347 0.400 . 1 . . . A 22 ARG CD . 17412 1 199 . 1 1 27 27 LYS H H 1 7.280 0.020 . 1 . . . A 23 LYS H . 17412 1 200 . 1 1 27 27 LYS HA H 1 3.952 0.020 . 1 . . . A 23 LYS HA . 17412 1 201 . 1 1 27 27 LYS HB2 H 1 1.763 0.020 . 2 . . . A 23 LYS HB2 . 17412 1 202 . 1 1 27 27 LYS HB3 H 1 1.561 0.020 . 2 . . . A 23 LYS HB3 . 17412 1 203 . 1 1 27 27 LYS HG2 H 1 1.441 0.020 . 2 . . . A 23 LYS HG2 . 17412 1 204 . 1 1 27 27 LYS HG3 H 1 1.347 0.020 . 2 . . . A 23 LYS HG3 . 17412 1 205 . 1 1 27 27 LYS HD2 H 1 1.561 0.020 . 2 . . . A 23 LYS HD2 . 17412 1 206 . 1 1 27 27 LYS HD3 H 1 1.441 0.020 . 2 . . . A 23 LYS HD3 . 17412 1 207 . 1 1 27 27 LYS HE2 H 1 2.885 0.020 . 2 . . . A 23 LYS HE2 . 17412 1 208 . 1 1 27 27 LYS HE3 H 1 2.885 0.020 . 2 . . . A 23 LYS HE3 . 17412 1 209 . 1 1 27 27 LYS C C 13 178.065 0.400 . 1 . . . A 23 LYS C . 17412 1 210 . 1 1 27 27 LYS CA C 13 58.120 0.400 . 1 . . . A 23 LYS CA . 17412 1 211 . 1 1 27 27 LYS CB C 13 32.600 0.400 . 1 . . . A 23 LYS CB . 17412 1 212 . 1 1 27 27 LYS CG C 13 25.260 0.400 . 1 . . . A 23 LYS CG . 17412 1 213 . 1 1 27 27 LYS CD C 13 29.110 0.400 . 1 . . . A 23 LYS CD . 17412 1 214 . 1 1 27 27 LYS CE C 13 42.090 0.400 . 1 . . . A 23 LYS CE . 17412 1 215 . 1 1 27 27 LYS N N 15 117.328 0.400 . 1 . . . A 23 LYS N . 17412 1 216 . 1 1 28 28 LYS H H 1 7.632 0.020 . 1 . . . A 24 LYS H . 17412 1 217 . 1 1 28 28 LYS HA H 1 3.769 0.020 . 1 . . . A 24 LYS HA . 17412 1 218 . 1 1 28 28 LYS HB2 H 1 1.571 0.020 . 2 . . . A 24 LYS HB2 . 17412 1 219 . 1 1 28 28 LYS HB3 H 1 1.352 0.020 . 2 . . . A 24 LYS HB3 . 17412 1 220 . 1 1 28 28 LYS HG2 H 1 0.970 0.020 . 2 . . . A 24 LYS HG2 . 17412 1 221 . 1 1 28 28 LYS HG3 H 1 0.520 0.020 . 2 . . . A 24 LYS HG3 . 17412 1 222 . 1 1 28 28 LYS HD2 H 1 1.457 0.020 . 2 . . . A 24 LYS HD2 . 17412 1 223 . 1 1 28 28 LYS HD3 H 1 1.405 0.020 . 2 . . . A 24 LYS HD3 . 17412 1 224 . 1 1 28 28 LYS HE2 H 1 2.825 0.020 . 2 . . . A 24 LYS HE2 . 17412 1 225 . 1 1 28 28 LYS HE3 H 1 2.825 0.020 . 2 . . . A 24 LYS HE3 . 17412 1 226 . 1 1 28 28 LYS C C 13 176.300 0.400 . 1 . . . A 24 LYS C . 17412 1 227 . 1 1 28 28 LYS CA C 13 58.560 0.400 . 1 . . . A 24 LYS CA . 17412 1 228 . 1 1 28 28 LYS CB C 13 33.660 0.400 . 1 . . . A 24 LYS CB . 17412 1 229 . 1 1 28 28 LYS CG C 13 24.980 0.400 . 1 . . . A 24 LYS CG . 17412 1 230 . 1 1 28 28 LYS CD C 13 29.420 0.400 . 1 . . . A 24 LYS CD . 17412 1 231 . 1 1 28 28 LYS CE C 13 42.980 0.400 . 1 . . . A 24 LYS CE . 17412 1 232 . 1 1 28 28 LYS N N 15 118.808 0.400 . 1 . . . A 24 LYS N . 17412 1 233 . 1 1 29 29 TYR H H 1 7.654 0.020 . 1 . . . A 25 TYR H . 17412 1 234 . 1 1 29 29 TYR HA H 1 5.000 0.020 . 1 . . . A 25 TYR HA . 17412 1 235 . 1 1 29 29 TYR HB2 H 1 2.724 0.020 . 2 . . . A 25 TYR HB2 . 17412 1 236 . 1 1 29 29 TYR HB3 H 1 2.609 0.020 . 2 . . . A 25 TYR HB3 . 17412 1 237 . 1 1 29 29 TYR HD1 H 1 7.024 0.020 . 3 . . . A 25 TYR HD1 . 17412 1 238 . 1 1 29 29 TYR HD2 H 1 7.024 0.020 . 3 . . . A 25 TYR HD2 . 17412 1 239 . 1 1 29 29 TYR HE1 H 1 6.621 0.020 . 3 . . . A 25 TYR HE1 . 17412 1 240 . 1 1 29 29 TYR HE2 H 1 6.621 0.020 . 3 . . . A 25 TYR HE2 . 17412 1 241 . 1 1 29 29 TYR CA C 13 54.017 0.400 . 1 . . . A 25 TYR CA . 17412 1 242 . 1 1 29 29 TYR CB C 13 38.840 0.400 . 1 . . . A 25 TYR CB . 17412 1 243 . 1 1 29 29 TYR CD1 C 13 133.880 0.400 . 3 . . . A 25 TYR CD1 . 17412 1 244 . 1 1 29 29 TYR CE1 C 13 117.379 0.400 . 3 . . . A 25 TYR CE1 . 17412 1 245 . 1 1 29 29 TYR N N 15 114.470 0.400 . 1 . . . A 25 TYR N . 17412 1 246 . 1 1 30 30 PRO HA H 1 4.475 0.020 . 1 . . . A 26 PRO HA . 17412 1 247 . 1 1 30 30 PRO HB2 H 1 2.295 0.020 . 2 . . . A 26 PRO HB2 . 17412 1 248 . 1 1 30 30 PRO HB3 H 1 1.914 0.020 . 2 . . . A 26 PRO HB3 . 17412 1 249 . 1 1 30 30 PRO HG2 H 1 1.921 0.020 . 2 . . . A 26 PRO HG2 . 17412 1 250 . 1 1 30 30 PRO HG3 H 1 1.921 0.020 . 2 . . . A 26 PRO HG3 . 17412 1 251 . 1 1 30 30 PRO HD2 H 1 3.574 0.020 . 2 . . . A 26 PRO HD2 . 17412 1 252 . 1 1 30 30 PRO HD3 H 1 3.273 0.020 . 2 . . . A 26 PRO HD3 . 17412 1 253 . 1 1 30 30 PRO C C 13 177.157 0.400 . 1 . . . A 26 PRO C . 17412 1 254 . 1 1 30 30 PRO CA C 13 64.703 0.400 . 1 . . . A 26 PRO CA . 17412 1 255 . 1 1 30 30 PRO CB C 13 31.967 0.400 . 1 . . . A 26 PRO CB . 17412 1 256 . 1 1 30 30 PRO CG C 13 27.262 0.400 . 1 . . . A 26 PRO CG . 17412 1 257 . 1 1 30 30 PRO CD C 13 49.909 0.400 . 1 . . . A 26 PRO CD . 17412 1 258 . 1 1 31 31 ASP H H 1 8.555 0.020 . 1 . . . A 27 ASP H . 17412 1 259 . 1 1 31 31 ASP HA H 1 4.669 0.020 . 1 . . . A 27 ASP HA . 17412 1 260 . 1 1 31 31 ASP HB2 H 1 2.841 0.020 . 2 . . . A 27 ASP HB2 . 17412 1 261 . 1 1 31 31 ASP HB3 H 1 2.677 0.020 . 2 . . . A 27 ASP HB3 . 17412 1 262 . 1 1 31 31 ASP C C 13 175.434 0.400 . 1 . . . A 27 ASP C . 17412 1 263 . 1 1 31 31 ASP CA C 13 53.211 0.400 . 1 . . . A 27 ASP CA . 17412 1 264 . 1 1 31 31 ASP CB C 13 40.290 0.400 . 1 . . . A 27 ASP CB . 17412 1 265 . 1 1 31 31 ASP N N 15 115.244 0.400 . 1 . . . A 27 ASP N . 17412 1 266 . 1 1 32 32 ARG H H 1 7.795 0.020 . 1 . . . A 28 ARG H . 17412 1 267 . 1 1 32 32 ARG HA H 1 4.900 0.020 . 1 . . . A 28 ARG HA . 17412 1 268 . 1 1 32 32 ARG HB2 H 1 1.315 0.020 . 2 . . . A 28 ARG HB2 . 17412 1 269 . 1 1 32 32 ARG HB3 H 1 1.160 0.020 . 2 . . . A 28 ARG HB3 . 17412 1 270 . 1 1 32 32 ARG C C 13 174.316 0.400 . 1 . . . A 28 ARG C . 17412 1 271 . 1 1 32 32 ARG CA C 13 53.684 0.400 . 1 . . . A 28 ARG CA . 17412 1 272 . 1 1 32 32 ARG CB C 13 34.332 0.400 . 1 . . . A 28 ARG CB . 17412 1 273 . 1 1 32 32 ARG CG C 13 28.084 0.400 . 1 . . . A 28 ARG CG . 17412 1 274 . 1 1 32 32 ARG CD C 13 43.190 0.400 . 1 . . . A 28 ARG CD . 17412 1 275 . 1 1 32 32 ARG N N 15 119.386 0.400 . 1 . . . A 28 ARG N . 17412 1 276 . 1 1 33 33 VAL H H 1 8.945 0.020 . 1 . . . A 29 VAL H . 17412 1 277 . 1 1 33 33 VAL HA H 1 4.262 0.020 . 1 . . . A 29 VAL HA . 17412 1 278 . 1 1 33 33 VAL HB H 1 1.320 0.020 . 1 . . . A 29 VAL HB . 17412 1 279 . 1 1 33 33 VAL HG11 H 1 0.290 0.020 . 2 . . . A 29 VAL HG11 . 17412 1 280 . 1 1 33 33 VAL HG12 H 1 0.290 0.020 . 2 . . . A 29 VAL HG12 . 17412 1 281 . 1 1 33 33 VAL HG13 H 1 0.290 0.020 . 2 . . . A 29 VAL HG13 . 17412 1 282 . 1 1 33 33 VAL HG21 H 1 0.500 0.020 . 2 . . . A 29 VAL HG21 . 17412 1 283 . 1 1 33 33 VAL HG22 H 1 0.500 0.020 . 2 . . . A 29 VAL HG22 . 17412 1 284 . 1 1 33 33 VAL HG23 H 1 0.500 0.020 . 2 . . . A 29 VAL HG23 . 17412 1 285 . 1 1 33 33 VAL CA C 13 56.505 0.400 . 1 . . . A 29 VAL CA . 17412 1 286 . 1 1 33 33 VAL CB C 13 33.500 0.400 . 1 . . . A 29 VAL CB . 17412 1 287 . 1 1 33 33 VAL CG1 C 13 22.010 0.400 . 2 . . . A 29 VAL CG1 . 17412 1 288 . 1 1 33 33 VAL N N 15 114.109 0.400 . 1 . . . A 29 VAL N . 17412 1 289 . 1 1 34 34 PRO HA H 1 5.233 0.020 . 1 . . . A 30 PRO HA . 17412 1 290 . 1 1 34 34 PRO HB2 H 1 2.065 0.020 . 2 . . . A 30 PRO HB2 . 17412 1 291 . 1 1 34 34 PRO HB3 H 1 1.595 0.020 . 2 . . . A 30 PRO HB3 . 17412 1 292 . 1 1 34 34 PRO HG2 H 1 2.601 0.020 . 2 . . . A 30 PRO HG2 . 17412 1 293 . 1 1 34 34 PRO HG3 H 1 1.445 0.020 . 2 . . . A 30 PRO HG3 . 17412 1 294 . 1 1 34 34 PRO HD2 H 1 3.336 0.020 . 2 . . . A 30 PRO HD2 . 17412 1 295 . 1 1 34 34 PRO HD3 H 1 3.366 0.020 . 2 . . . A 30 PRO HD3 . 17412 1 296 . 1 1 34 34 PRO C C 13 175.054 0.400 . 1 . . . A 30 PRO C . 17412 1 297 . 1 1 34 34 PRO CA C 13 61.359 0.400 . 1 . . . A 30 PRO CA . 17412 1 298 . 1 1 34 34 PRO CB C 13 31.714 0.400 . 1 . . . A 30 PRO CB . 17412 1 299 . 1 1 34 34 PRO CG C 13 26.455 0.400 . 1 . . . A 30 PRO CG . 17412 1 300 . 1 1 34 34 PRO CD C 13 50.403 0.400 . 1 . . . A 30 PRO CD . 17412 1 301 . 1 1 35 35 VAL H H 1 9.186 0.020 . 1 . . . A 31 VAL H . 17412 1 302 . 1 1 35 35 VAL HA H 1 5.000 0.020 . 1 . . . A 31 VAL HA . 17412 1 303 . 1 1 35 35 VAL HB H 1 1.787 0.020 . 1 . . . A 31 VAL HB . 17412 1 304 . 1 1 35 35 VAL HG11 H 1 0.685 0.020 . 2 . . . A 31 VAL HG11 . 17412 1 305 . 1 1 35 35 VAL HG12 H 1 0.685 0.020 . 2 . . . A 31 VAL HG12 . 17412 1 306 . 1 1 35 35 VAL HG13 H 1 0.685 0.020 . 2 . . . A 31 VAL HG13 . 17412 1 307 . 1 1 35 35 VAL HG21 H 1 0.597 0.020 . 2 . . . A 31 VAL HG21 . 17412 1 308 . 1 1 35 35 VAL HG22 H 1 0.597 0.020 . 2 . . . A 31 VAL HG22 . 17412 1 309 . 1 1 35 35 VAL HG23 H 1 0.597 0.020 . 2 . . . A 31 VAL HG23 . 17412 1 310 . 1 1 35 35 VAL C C 13 174.155 0.400 . 1 . . . A 31 VAL C . 17412 1 311 . 1 1 35 35 VAL CA C 13 60.110 0.400 . 1 . . . A 31 VAL CA . 17412 1 312 . 1 1 35 35 VAL CB C 13 36.022 0.400 . 1 . . . A 31 VAL CB . 17412 1 313 . 1 1 35 35 VAL CG1 C 13 22.836 0.400 . 2 . . . A 31 VAL CG1 . 17412 1 314 . 1 1 35 35 VAL CG2 C 13 22.764 0.400 . 2 . . . A 31 VAL CG2 . 17412 1 315 . 1 1 35 35 VAL N N 15 123.563 0.400 . 1 . . . A 31 VAL N . 17412 1 316 . 1 1 36 36 ILE H H 1 8.905 0.020 . 1 . . . A 32 ILE H . 17412 1 317 . 1 1 36 36 ILE HA H 1 5.040 0.020 . 1 . . . A 32 ILE HA . 17412 1 318 . 1 1 36 36 ILE HB H 1 1.435 0.020 . 1 . . . A 32 ILE HB . 17412 1 319 . 1 1 36 36 ILE HG12 H 1 0.726 0.020 . 2 . . . A 32 ILE HG12 . 17412 1 320 . 1 1 36 36 ILE HG13 H 1 0.726 0.020 . 2 . . . A 32 ILE HG13 . 17412 1 321 . 1 1 36 36 ILE HG21 H 1 0.806 0.020 . 1 . . . A 32 ILE HG21 . 17412 1 322 . 1 1 36 36 ILE HG22 H 1 0.806 0.020 . 1 . . . A 32 ILE HG22 . 17412 1 323 . 1 1 36 36 ILE HG23 H 1 0.806 0.020 . 1 . . . A 32 ILE HG23 . 17412 1 324 . 1 1 36 36 ILE HD11 H 1 -0.540 0.020 . 1 . . . A 32 ILE HD11 . 17412 1 325 . 1 1 36 36 ILE HD12 H 1 -0.540 0.020 . 1 . . . A 32 ILE HD12 . 17412 1 326 . 1 1 36 36 ILE HD13 H 1 -0.540 0.020 . 1 . . . A 32 ILE HD13 . 17412 1 327 . 1 1 36 36 ILE C C 13 175.179 0.400 . 1 . . . A 32 ILE C . 17412 1 328 . 1 1 36 36 ILE CA C 13 57.074 0.400 . 1 . . . A 32 ILE CA . 17412 1 329 . 1 1 36 36 ILE CB C 13 36.840 0.400 . 1 . . . A 32 ILE CB . 17412 1 330 . 1 1 36 36 ILE CG1 C 13 26.347 0.400 . 1 . . . A 32 ILE CG1 . 17412 1 331 . 1 1 36 36 ILE CG2 C 13 17.644 0.400 . 1 . . . A 32 ILE CG2 . 17412 1 332 . 1 1 36 36 ILE CD1 C 13 8.991 0.400 . 1 . . . A 32 ILE CD1 . 17412 1 333 . 1 1 36 36 ILE N N 15 128.757 0.400 . 1 . . . A 32 ILE N . 17412 1 334 . 1 1 37 37 VAL H H 1 9.059 0.020 . 1 . . . A 33 VAL H . 17412 1 335 . 1 1 37 37 VAL HA H 1 5.684 0.020 . 1 . . . A 33 VAL HA . 17412 1 336 . 1 1 37 37 VAL HB H 1 2.050 0.020 . 1 . . . A 33 VAL HB . 17412 1 337 . 1 1 37 37 VAL HG11 H 1 0.851 0.020 . 2 . . . A 33 VAL HG11 . 17412 1 338 . 1 1 37 37 VAL HG12 H 1 0.851 0.020 . 2 . . . A 33 VAL HG12 . 17412 1 339 . 1 1 37 37 VAL HG13 H 1 0.851 0.020 . 2 . . . A 33 VAL HG13 . 17412 1 340 . 1 1 37 37 VAL HG21 H 1 0.794 0.020 . 2 . . . A 33 VAL HG21 . 17412 1 341 . 1 1 37 37 VAL HG22 H 1 0.794 0.020 . 2 . . . A 33 VAL HG22 . 17412 1 342 . 1 1 37 37 VAL HG23 H 1 0.794 0.020 . 2 . . . A 33 VAL HG23 . 17412 1 343 . 1 1 37 37 VAL C C 13 175.706 0.400 . 1 . . . A 33 VAL C . 17412 1 344 . 1 1 37 37 VAL CA C 13 60.151 0.400 . 1 . . . A 33 VAL CA . 17412 1 345 . 1 1 37 37 VAL CB C 13 33.615 0.400 . 1 . . . A 33 VAL CB . 17412 1 346 . 1 1 37 37 VAL CG1 C 13 22.489 0.400 . 2 . . . A 33 VAL CG1 . 17412 1 347 . 1 1 37 37 VAL CG2 C 13 22.489 0.400 . 2 . . . A 33 VAL CG2 . 17412 1 348 . 1 1 37 37 VAL N N 15 126.771 0.400 . 1 . . . A 33 VAL N . 17412 1 349 . 1 1 38 38 GLU H H 1 8.784 0.020 . 1 . . . A 34 GLU H . 17412 1 350 . 1 1 38 38 GLU HA H 1 4.908 0.020 . 1 . . . A 34 GLU HA . 17412 1 351 . 1 1 38 38 GLU HB2 H 1 2.297 0.020 . 2 . . . A 34 GLU HB2 . 17412 1 352 . 1 1 38 38 GLU HB3 H 1 1.922 0.020 . 2 . . . A 34 GLU HB3 . 17412 1 353 . 1 1 38 38 GLU HG2 H 1 2.584 0.020 . 2 . . . A 34 GLU HG2 . 17412 1 354 . 1 1 38 38 GLU HG3 H 1 2.584 0.020 . 2 . . . A 34 GLU HG3 . 17412 1 355 . 1 1 38 38 GLU C C 13 174.175 0.400 . 1 . . . A 34 GLU C . 17412 1 356 . 1 1 38 38 GLU CA C 13 55.058 0.400 . 1 . . . A 34 GLU CA . 17412 1 357 . 1 1 38 38 GLU CB C 13 36.188 0.400 . 1 . . . A 34 GLU CB . 17412 1 358 . 1 1 38 38 GLU CG C 13 38.443 0.400 . 1 . . . A 34 GLU CG . 17412 1 359 . 1 1 38 38 GLU N N 15 122.024 0.400 . 1 . . . A 34 GLU N . 17412 1 360 . 1 1 39 39 LYS H H 1 8.637 0.020 . 1 . . . A 35 LYS H . 17412 1 361 . 1 1 39 39 LYS HA H 1 2.965 0.020 . 1 . . . A 35 LYS HA . 17412 1 362 . 1 1 39 39 LYS HB2 H 1 1.666 0.020 . 2 . . . A 35 LYS HB2 . 17412 1 363 . 1 1 39 39 LYS HB3 H 1 1.506 0.020 . 2 . . . A 35 LYS HB3 . 17412 1 364 . 1 1 39 39 LYS HG2 H 1 1.637 0.020 . 2 . . . A 35 LYS HG2 . 17412 1 365 . 1 1 39 39 LYS HG3 H 1 1.637 0.020 . 2 . . . A 35 LYS HG3 . 17412 1 366 . 1 1 39 39 LYS HD2 H 1 1.409 0.020 . 2 . . . A 35 LYS HD2 . 17412 1 367 . 1 1 39 39 LYS HD3 H 1 0.895 0.020 . 2 . . . A 35 LYS HD3 . 17412 1 368 . 1 1 39 39 LYS HE2 H 1 2.997 0.020 . 2 . . . A 35 LYS HE2 . 17412 1 369 . 1 1 39 39 LYS HE3 H 1 3.009 0.020 . 2 . . . A 35 LYS HE3 . 17412 1 370 . 1 1 39 39 LYS C C 13 176.843 0.400 . 1 . . . A 35 LYS C . 17412 1 371 . 1 1 39 39 LYS CA C 13 55.730 0.400 . 1 . . . A 35 LYS CA . 17412 1 372 . 1 1 39 39 LYS CB C 13 33.137 0.400 . 1 . . . A 35 LYS CB . 17412 1 373 . 1 1 39 39 LYS CG C 13 23.072 0.400 . 1 . . . A 35 LYS CG . 17412 1 374 . 1 1 39 39 LYS CD C 13 29.344 0.400 . 1 . . . A 35 LYS CD . 17412 1 375 . 1 1 39 39 LYS CE C 13 41.882 0.400 . 1 . . . A 35 LYS CE . 17412 1 376 . 1 1 39 39 LYS N N 15 122.712 0.400 . 1 . . . A 35 LYS N . 17412 1 377 . 1 1 40 40 ALA H H 1 8.718 0.020 . 1 . . . A 36 ALA H . 17412 1 378 . 1 1 40 40 ALA HA H 1 4.213 0.020 . 1 . . . A 36 ALA HA . 17412 1 379 . 1 1 40 40 ALA HB1 H 1 1.227 0.020 . 1 . . . A 36 ALA HB1 . 17412 1 380 . 1 1 40 40 ALA HB2 H 1 1.227 0.020 . 1 . . . A 36 ALA HB2 . 17412 1 381 . 1 1 40 40 ALA HB3 H 1 1.227 0.020 . 1 . . . A 36 ALA HB3 . 17412 1 382 . 1 1 40 40 ALA C C 13 176.255 0.400 . 1 . . . A 36 ALA C . 17412 1 383 . 1 1 40 40 ALA CA C 13 50.538 0.400 . 1 . . . A 36 ALA CA . 17412 1 384 . 1 1 40 40 ALA CB C 13 17.615 0.400 . 1 . . . A 36 ALA CB . 17412 1 385 . 1 1 40 40 ALA N N 15 129.833 0.400 . 1 . . . A 36 ALA N . 17412 1 386 . 1 1 41 41 PRO HA H 1 4.212 0.020 . 1 . . . A 37 PRO HA . 17412 1 387 . 1 1 41 41 PRO HB2 H 1 2.313 0.020 . 2 . . . A 37 PRO HB2 . 17412 1 388 . 1 1 41 41 PRO HB3 H 1 1.835 0.020 . 2 . . . A 37 PRO HB3 . 17412 1 389 . 1 1 41 41 PRO HG2 H 1 1.885 0.020 . 2 . . . A 37 PRO HG2 . 17412 1 390 . 1 1 41 41 PRO HG3 H 1 1.950 0.020 . 2 . . . A 37 PRO HG3 . 17412 1 391 . 1 1 41 41 PRO HD2 H 1 3.515 0.020 . 2 . . . A 37 PRO HD2 . 17412 1 392 . 1 1 41 41 PRO HD3 H 1 3.316 0.020 . 2 . . . A 37 PRO HD3 . 17412 1 393 . 1 1 41 41 PRO C C 13 177.994 0.400 . 1 . . . A 37 PRO C . 17412 1 394 . 1 1 41 41 PRO CA C 13 65.312 0.400 . 1 . . . A 37 PRO CA . 17412 1 395 . 1 1 41 41 PRO CB C 13 32.118 0.400 . 1 . . . A 37 PRO CB . 17412 1 396 . 1 1 41 41 PRO CG C 13 27.665 0.400 . 1 . . . A 37 PRO CG . 17412 1 397 . 1 1 41 41 PRO CD C 13 50.046 0.400 . 1 . . . A 37 PRO CD . 17412 1 398 . 1 1 42 42 LYS H H 1 8.653 0.020 . 1 . . . A 38 LYS H . 17412 1 399 . 1 1 42 42 LYS HA H 1 4.132 0.020 . 1 . . . A 38 LYS HA . 17412 1 400 . 1 1 42 42 LYS HB2 H 1 1.948 0.020 . 2 . . . A 38 LYS HB2 . 17412 1 401 . 1 1 42 42 LYS HB3 H 1 1.867 0.020 . 2 . . . A 38 LYS HB3 . 17412 1 402 . 1 1 42 42 LYS HG2 H 1 1.374 0.020 . 2 . . . A 38 LYS HG2 . 17412 1 403 . 1 1 42 42 LYS HG3 H 1 1.374 0.020 . 2 . . . A 38 LYS HG3 . 17412 1 404 . 1 1 42 42 LYS HD2 H 1 1.629 0.020 . 2 . . . A 38 LYS HD2 . 17412 1 405 . 1 1 42 42 LYS HD3 H 1 1.629 0.020 . 2 . . . A 38 LYS HD3 . 17412 1 406 . 1 1 42 42 LYS HE2 H 1 2.934 0.020 . 2 . . . A 38 LYS HE2 . 17412 1 407 . 1 1 42 42 LYS HE3 H 1 2.934 0.020 . 2 . . . A 38 LYS HE3 . 17412 1 408 . 1 1 42 42 LYS C C 13 176.761 0.400 . 1 . . . A 38 LYS C . 17412 1 409 . 1 1 42 42 LYS CA C 13 56.765 0.400 . 1 . . . A 38 LYS CA . 17412 1 410 . 1 1 42 42 LYS CB C 13 31.463 0.400 . 1 . . . A 38 LYS CB . 17412 1 411 . 1 1 42 42 LYS CG C 13 25.330 0.400 . 1 . . . A 38 LYS CG . 17412 1 412 . 1 1 42 42 LYS CD C 13 29.022 0.400 . 1 . . . A 38 LYS CD . 17412 1 413 . 1 1 42 42 LYS CE C 13 42.055 0.400 . 1 . . . A 38 LYS CE . 17412 1 414 . 1 1 42 42 LYS N N 15 114.690 0.400 . 1 . . . A 38 LYS N . 17412 1 415 . 1 1 43 43 ALA H H 1 7.599 0.020 . 1 . . . A 39 ALA H . 17412 1 416 . 1 1 43 43 ALA HA H 1 4.545 0.020 . 1 . . . A 39 ALA HA . 17412 1 417 . 1 1 43 43 ALA HB1 H 1 1.661 0.020 . 1 . . . A 39 ALA HB1 . 17412 1 418 . 1 1 43 43 ALA HB2 H 1 1.661 0.020 . 1 . . . A 39 ALA HB2 . 17412 1 419 . 1 1 43 43 ALA HB3 H 1 1.661 0.020 . 1 . . . A 39 ALA HB3 . 17412 1 420 . 1 1 43 43 ALA C C 13 178.532 0.400 . 1 . . . A 39 ALA C . 17412 1 421 . 1 1 43 43 ALA CA C 13 52.646 0.400 . 1 . . . A 39 ALA CA . 17412 1 422 . 1 1 43 43 ALA CB C 13 21.300 0.400 . 1 . . . A 39 ALA CB . 17412 1 423 . 1 1 43 43 ALA N N 15 122.218 0.400 . 1 . . . A 39 ALA N . 17412 1 424 . 1 1 44 44 ARG H H 1 9.174 0.020 . 1 . . . A 40 ARG H . 17412 1 425 . 1 1 44 44 ARG HA H 1 4.537 0.020 . 1 . . . A 40 ARG HA . 17412 1 426 . 1 1 44 44 ARG HB2 H 1 1.995 0.020 . 2 . . . A 40 ARG HB2 . 17412 1 427 . 1 1 44 44 ARG HB3 H 1 1.880 0.020 . 2 . . . A 40 ARG HB3 . 17412 1 428 . 1 1 44 44 ARG HG2 H 1 1.822 0.020 . 2 . . . A 40 ARG HG2 . 17412 1 429 . 1 1 44 44 ARG HG3 H 1 1.656 0.020 . 2 . . . A 40 ARG HG3 . 17412 1 430 . 1 1 44 44 ARG HD2 H 1 3.278 0.020 . 2 . . . A 40 ARG HD2 . 17412 1 431 . 1 1 44 44 ARG HD3 H 1 3.244 0.020 . 2 . . . A 40 ARG HD3 . 17412 1 432 . 1 1 44 44 ARG C C 13 176.084 0.400 . 1 . . . A 40 ARG C . 17412 1 433 . 1 1 44 44 ARG CA C 13 55.619 0.400 . 1 . . . A 40 ARG CA . 17412 1 434 . 1 1 44 44 ARG CB C 13 28.976 0.400 . 1 . . . A 40 ARG CB . 17412 1 435 . 1 1 44 44 ARG CG C 13 27.358 0.400 . 1 . . . A 40 ARG CG . 17412 1 436 . 1 1 44 44 ARG CD C 13 43.432 0.400 . 1 . . . A 40 ARG CD . 17412 1 437 . 1 1 44 44 ARG N N 15 125.425 0.400 . 1 . . . A 40 ARG N . 17412 1 438 . 1 1 45 45 VAL H H 1 6.916 0.020 . 1 . . . A 41 VAL H . 17412 1 439 . 1 1 45 45 VAL HA H 1 4.775 0.020 . 1 . . . A 41 VAL HA . 17412 1 440 . 1 1 45 45 VAL HB H 1 2.308 0.020 . 1 . . . A 41 VAL HB . 17412 1 441 . 1 1 45 45 VAL HG11 H 1 1.198 0.020 . 2 . . . A 41 VAL HG11 . 17412 1 442 . 1 1 45 45 VAL HG12 H 1 1.198 0.020 . 2 . . . A 41 VAL HG12 . 17412 1 443 . 1 1 45 45 VAL HG13 H 1 1.198 0.020 . 2 . . . A 41 VAL HG13 . 17412 1 444 . 1 1 45 45 VAL HG21 H 1 1.029 0.020 . 2 . . . A 41 VAL HG21 . 17412 1 445 . 1 1 45 45 VAL HG22 H 1 1.029 0.020 . 2 . . . A 41 VAL HG22 . 17412 1 446 . 1 1 45 45 VAL HG23 H 1 1.029 0.020 . 2 . . . A 41 VAL HG23 . 17412 1 447 . 1 1 45 45 VAL C C 13 172.466 0.400 . 1 . . . A 41 VAL C . 17412 1 448 . 1 1 45 45 VAL CA C 13 58.210 0.400 . 1 . . . A 41 VAL CA . 17412 1 449 . 1 1 45 45 VAL CB C 13 33.069 0.400 . 1 . . . A 41 VAL CB . 17412 1 450 . 1 1 45 45 VAL CG2 C 13 19.960 0.400 . 2 . . . A 41 VAL CG2 . 17412 1 451 . 1 1 45 45 VAL N N 15 112.820 0.400 . 1 . . . A 41 VAL N . 17412 1 452 . 1 1 46 46 PRO HA H 1 4.502 0.020 . 1 . . . A 42 PRO HA . 17412 1 453 . 1 1 46 46 PRO HB2 H 1 2.520 0.020 . 2 . . . A 42 PRO HB2 . 17412 1 454 . 1 1 46 46 PRO HB3 H 1 1.860 0.020 . 2 . . . A 42 PRO HB3 . 17412 1 455 . 1 1 46 46 PRO HG2 H 1 2.233 0.020 . 2 . . . A 42 PRO HG2 . 17412 1 456 . 1 1 46 46 PRO HG3 H 1 1.989 0.020 . 2 . . . A 42 PRO HG3 . 17412 1 457 . 1 1 46 46 PRO HD2 H 1 4.017 0.020 . 2 . . . A 42 PRO HD2 . 17412 1 458 . 1 1 46 46 PRO HD3 H 1 3.434 0.020 . 2 . . . A 42 PRO HD3 . 17412 1 459 . 1 1 46 46 PRO C C 13 176.227 0.400 . 1 . . . A 42 PRO C . 17412 1 460 . 1 1 46 46 PRO CA C 13 63.097 0.400 . 1 . . . A 42 PRO CA . 17412 1 461 . 1 1 46 46 PRO CB C 13 32.979 0.400 . 1 . . . A 42 PRO CB . 17412 1 462 . 1 1 46 46 PRO CG C 13 27.929 0.400 . 1 . . . A 42 PRO CG . 17412 1 463 . 1 1 46 46 PRO CD C 13 51.354 0.400 . 1 . . . A 42 PRO CD . 17412 1 464 . 1 1 47 47 ASP H H 1 8.350 0.020 . 1 . . . A 43 ASP H . 17412 1 465 . 1 1 47 47 ASP HA H 1 4.688 0.020 . 1 . . . A 43 ASP HA . 17412 1 466 . 1 1 47 47 ASP HB2 H 1 2.724 0.020 . 2 . . . A 43 ASP HB2 . 17412 1 467 . 1 1 47 47 ASP HB3 H 1 2.501 0.020 . 2 . . . A 43 ASP HB3 . 17412 1 468 . 1 1 47 47 ASP C C 13 175.582 0.400 . 1 . . . A 43 ASP C . 17412 1 469 . 1 1 47 47 ASP CA C 13 54.450 0.400 . 1 . . . A 43 ASP CA . 17412 1 470 . 1 1 47 47 ASP CB C 13 42.547 0.400 . 1 . . . A 43 ASP CB . 17412 1 471 . 1 1 47 47 ASP N N 15 119.556 0.400 . 1 . . . A 43 ASP N . 17412 1 472 . 1 1 48 48 LEU H H 1 7.992 0.020 . 1 . . . A 44 LEU H . 17412 1 473 . 1 1 48 48 LEU HA H 1 4.337 0.020 . 1 . . . A 44 LEU HA . 17412 1 474 . 1 1 48 48 LEU HB2 H 1 1.887 0.020 . 2 . . . A 44 LEU HB2 . 17412 1 475 . 1 1 48 48 LEU HB3 H 1 1.836 0.020 . 2 . . . A 44 LEU HB3 . 17412 1 476 . 1 1 48 48 LEU HG H 1 0.920 0.020 . 1 . . . A 44 LEU HG . 17412 1 477 . 1 1 48 48 LEU HD11 H 1 0.940 0.020 . 2 . . . A 44 LEU HD11 . 17412 1 478 . 1 1 48 48 LEU HD12 H 1 0.940 0.020 . 2 . . . A 44 LEU HD12 . 17412 1 479 . 1 1 48 48 LEU HD13 H 1 0.940 0.020 . 2 . . . A 44 LEU HD13 . 17412 1 480 . 1 1 48 48 LEU HD21 H 1 0.750 0.020 . 2 . . . A 44 LEU HD21 . 17412 1 481 . 1 1 48 48 LEU HD22 H 1 0.750 0.020 . 2 . . . A 44 LEU HD22 . 17412 1 482 . 1 1 48 48 LEU HD23 H 1 0.750 0.020 . 2 . . . A 44 LEU HD23 . 17412 1 483 . 1 1 48 48 LEU CA C 13 54.593 0.400 . 1 . . . A 44 LEU CA . 17412 1 484 . 1 1 48 48 LEU CB C 13 44.300 0.400 . 1 . . . A 44 LEU CB . 17412 1 485 . 1 1 48 48 LEU CG C 13 26.060 0.400 . 1 . . . A 44 LEU CG . 17412 1 486 . 1 1 48 48 LEU CD1 C 13 25.544 0.400 . 2 . . . A 44 LEU CD1 . 17412 1 487 . 1 1 48 48 LEU N N 15 124.027 0.400 . 1 . . . A 44 LEU N . 17412 1 488 . 1 1 49 49 ASP H H 1 8.744 0.020 . 1 . . . A 45 ASP H . 17412 1 489 . 1 1 49 49 ASP HA H 1 4.352 0.020 . 1 . . . A 45 ASP HA . 17412 1 490 . 1 1 49 49 ASP HB2 H 1 2.880 0.020 . 2 . . . A 45 ASP HB2 . 17412 1 491 . 1 1 49 49 ASP HB3 H 1 2.744 0.020 . 2 . . . A 45 ASP HB3 . 17412 1 492 . 1 1 49 49 ASP CA C 13 56.056 0.400 . 1 . . . A 45 ASP CA . 17412 1 493 . 1 1 49 49 ASP CB C 13 39.997 0.400 . 1 . . . A 45 ASP CB . 17412 1 494 . 1 1 49 49 ASP N N 15 121.978 0.400 . 1 . . . A 45 ASP N . 17412 1 495 . 1 1 50 50 LYS H H 1 7.476 0.020 . 1 . . . A 46 LYS H . 17412 1 496 . 1 1 50 50 LYS HA H 1 4.335 0.020 . 1 . . . A 46 LYS HA . 17412 1 497 . 1 1 50 50 LYS HB2 H 1 1.810 0.020 . 2 . . . A 46 LYS HB2 . 17412 1 498 . 1 1 50 50 LYS HB3 H 1 1.800 0.020 . 2 . . . A 46 LYS HB3 . 17412 1 499 . 1 1 50 50 LYS HE2 H 1 2.827 0.020 . 2 . . . A 46 LYS HE2 . 17412 1 500 . 1 1 50 50 LYS HE3 H 1 2.827 0.020 . 2 . . . A 46 LYS HE3 . 17412 1 501 . 1 1 50 50 LYS CA C 13 54.176 0.400 . 1 . . . A 46 LYS CA . 17412 1 502 . 1 1 50 50 LYS CB C 13 34.230 0.400 . 1 . . . A 46 LYS CB . 17412 1 503 . 1 1 50 50 LYS N N 15 119.408 0.400 . 1 . . . A 46 LYS N . 17412 1 504 . 1 1 51 51 ARG H H 1 8.150 0.020 . 1 . . . A 47 ARG H . 17412 1 505 . 1 1 52 52 LYS H H 1 9.070 0.020 . 1 . . . A 48 LYS H . 17412 1 506 . 1 1 52 52 LYS HA H 1 5.082 0.020 . 1 . . . A 48 LYS HA . 17412 1 507 . 1 1 52 52 LYS HB2 H 1 1.320 0.020 . 2 . . . A 48 LYS HB2 . 17412 1 508 . 1 1 52 52 LYS HB3 H 1 1.310 0.020 . 2 . . . A 48 LYS HB3 . 17412 1 509 . 1 1 52 52 LYS CA C 13 55.400 0.400 . 1 . . . A 48 LYS CA . 17412 1 510 . 1 1 52 52 LYS CB C 13 33.941 0.400 . 1 . . . A 48 LYS CB . 17412 1 511 . 1 1 53 53 TYR H H 1 9.645 0.020 . 1 . . . A 49 TYR H . 17412 1 512 . 1 1 53 53 TYR HA H 1 5.060 0.020 . 1 . . . A 49 TYR HA . 17412 1 513 . 1 1 53 53 TYR HB2 H 1 2.822 0.020 . 2 . . . A 49 TYR HB2 . 17412 1 514 . 1 1 53 53 TYR HB3 H 1 2.723 0.020 . 2 . . . A 49 TYR HB3 . 17412 1 515 . 1 1 53 53 TYR HD1 H 1 6.960 0.020 . 3 . . . A 49 TYR HD1 . 17412 1 516 . 1 1 53 53 TYR HD2 H 1 6.960 0.020 . 3 . . . A 49 TYR HD2 . 17412 1 517 . 1 1 53 53 TYR HE1 H 1 6.585 0.020 . 3 . . . A 49 TYR HE1 . 17412 1 518 . 1 1 53 53 TYR HE2 H 1 6.585 0.020 . 3 . . . A 49 TYR HE2 . 17412 1 519 . 1 1 53 53 TYR CA C 13 57.270 0.400 . 1 . . . A 49 TYR CA . 17412 1 520 . 1 1 53 53 TYR CB C 13 42.952 0.400 . 1 . . . A 49 TYR CB . 17412 1 521 . 1 1 53 53 TYR CD1 C 13 132.665 0.400 . 3 . . . A 49 TYR CD1 . 17412 1 522 . 1 1 53 53 TYR CE1 C 13 118.050 0.400 . 3 . . . A 49 TYR CE1 . 17412 1 523 . 1 1 53 53 TYR N N 15 123.691 0.400 . 1 . . . A 49 TYR N . 17412 1 524 . 1 1 54 54 LEU H H 1 8.943 0.020 . 1 . . . A 50 LEU H . 17412 1 525 . 1 1 54 54 LEU HA H 1 4.947 0.020 . 1 . . . A 50 LEU HA . 17412 1 526 . 1 1 54 54 LEU HB2 H 1 1.130 0.020 . 2 . . . A 50 LEU HB2 . 17412 1 527 . 1 1 54 54 LEU HB3 H 1 1.110 0.020 . 2 . . . A 50 LEU HB3 . 17412 1 528 . 1 1 54 54 LEU HG H 1 0.900 0.020 . 1 . . . A 50 LEU HG . 17412 1 529 . 1 1 54 54 LEU HD11 H 1 0.070 0.020 . 2 . . . A 50 LEU HD11 . 17412 1 530 . 1 1 54 54 LEU HD12 H 1 0.070 0.020 . 2 . . . A 50 LEU HD12 . 17412 1 531 . 1 1 54 54 LEU HD13 H 1 0.070 0.020 . 2 . . . A 50 LEU HD13 . 17412 1 532 . 1 1 54 54 LEU CA C 13 53.423 0.400 . 1 . . . A 50 LEU CA . 17412 1 533 . 1 1 54 54 LEU CB C 13 44.002 0.400 . 1 . . . A 50 LEU CB . 17412 1 534 . 1 1 54 54 LEU CG C 13 26.850 0.400 . 1 . . . A 50 LEU CG . 17412 1 535 . 1 1 54 54 LEU CD1 C 13 24.321 0.400 . 2 . . . A 50 LEU CD1 . 17412 1 536 . 1 1 54 54 LEU N N 15 123.011 0.400 . 1 . . . A 50 LEU N . 17412 1 537 . 1 1 55 55 VAL H H 1 8.726 0.020 . 1 . . . A 51 VAL H . 17412 1 538 . 1 1 55 55 VAL HA H 1 4.862 0.020 . 1 . . . A 51 VAL HA . 17412 1 539 . 1 1 55 55 VAL HB H 1 1.315 0.020 . 1 . . . A 51 VAL HB . 17412 1 540 . 1 1 55 55 VAL HG11 H 1 0.285 0.020 . 2 . . . A 51 VAL HG11 . 17412 1 541 . 1 1 55 55 VAL HG12 H 1 0.285 0.020 . 2 . . . A 51 VAL HG12 . 17412 1 542 . 1 1 55 55 VAL HG13 H 1 0.285 0.020 . 2 . . . A 51 VAL HG13 . 17412 1 543 . 1 1 55 55 VAL CG1 C 13 21.960 0.400 . 2 . . . A 51 VAL CG1 . 17412 1 544 . 1 1 56 56 PRO HA H 1 4.467 0.020 . 1 . . . A 52 PRO HA . 17412 1 545 . 1 1 56 56 PRO HB2 H 1 2.610 0.020 . 2 . . . A 52 PRO HB2 . 17412 1 546 . 1 1 56 56 PRO HB3 H 1 2.030 0.020 . 2 . . . A 52 PRO HB3 . 17412 1 547 . 1 1 56 56 PRO HG2 H 1 2.120 0.020 . 2 . . . A 52 PRO HG2 . 17412 1 548 . 1 1 56 56 PRO HD2 H 1 4.100 0.020 . 2 . . . A 52 PRO HD2 . 17412 1 549 . 1 1 56 56 PRO HD3 H 1 4.100 0.020 . 2 . . . A 52 PRO HD3 . 17412 1 550 . 1 1 56 56 PRO CA C 13 63.675 0.400 . 1 . . . A 52 PRO CA . 17412 1 551 . 1 1 56 56 PRO CB C 13 32.372 0.400 . 1 . . . A 52 PRO CB . 17412 1 552 . 1 1 56 56 PRO CG C 13 28.531 0.400 . 1 . . . A 52 PRO CG . 17412 1 553 . 1 1 56 56 PRO CD C 13 51.407 0.400 . 1 . . . A 52 PRO CD . 17412 1 554 . 1 1 57 57 SER H H 1 8.395 0.020 . 1 . . . A 53 SER H . 17412 1 555 . 1 1 57 57 SER HA H 1 3.680 0.020 . 1 . . . A 53 SER HA . 17412 1 556 . 1 1 57 57 SER HB2 H 1 3.740 0.020 . 2 . . . A 53 SER HB2 . 17412 1 557 . 1 1 57 57 SER HB3 H 1 3.693 0.020 . 2 . . . A 53 SER HB3 . 17412 1 558 . 1 1 57 57 SER C C 13 174.682 0.400 . 1 . . . A 53 SER C . 17412 1 559 . 1 1 57 57 SER CA C 13 61.308 0.400 . 1 . . . A 53 SER CA . 17412 1 560 . 1 1 57 57 SER CB C 13 62.923 0.400 . 1 . . . A 53 SER CB . 17412 1 561 . 1 1 57 57 SER N N 15 118.990 0.400 . 1 . . . A 53 SER N . 17412 1 562 . 1 1 58 58 ASP H H 1 8.327 0.020 . 1 . . . A 54 ASP H . 17412 1 563 . 1 1 58 58 ASP HA H 1 4.548 0.020 . 1 . . . A 54 ASP HA . 17412 1 564 . 1 1 58 58 ASP HB2 H 1 2.778 0.020 . 2 . . . A 54 ASP HB2 . 17412 1 565 . 1 1 58 58 ASP HB3 H 1 2.665 0.020 . 2 . . . A 54 ASP HB3 . 17412 1 566 . 1 1 58 58 ASP C C 13 176.366 0.400 . 1 . . . A 54 ASP C . 17412 1 567 . 1 1 58 58 ASP CA C 13 53.520 0.400 . 1 . . . A 54 ASP CA . 17412 1 568 . 1 1 58 58 ASP CB C 13 40.191 0.400 . 1 . . . A 54 ASP CB . 17412 1 569 . 1 1 58 58 ASP N N 15 115.343 0.400 . 1 . . . A 54 ASP N . 17412 1 570 . 1 1 59 59 LEU H H 1 7.377 0.020 . 1 . . . A 55 LEU H . 17412 1 571 . 1 1 59 59 LEU HA H 1 4.290 0.020 . 1 . . . A 55 LEU HA . 17412 1 572 . 1 1 59 59 LEU HB2 H 1 1.681 0.020 . 2 . . . A 55 LEU HB2 . 17412 1 573 . 1 1 59 59 LEU HB3 H 1 1.434 0.020 . 2 . . . A 55 LEU HB3 . 17412 1 574 . 1 1 59 59 LEU HG H 1 0.849 0.020 . 1 . . . A 55 LEU HG . 17412 1 575 . 1 1 59 59 LEU HD11 H 1 0.920 0.020 . 2 . . . A 55 LEU HD11 . 17412 1 576 . 1 1 59 59 LEU HD12 H 1 0.920 0.020 . 2 . . . A 55 LEU HD12 . 17412 1 577 . 1 1 59 59 LEU HD13 H 1 0.920 0.020 . 2 . . . A 55 LEU HD13 . 17412 1 578 . 1 1 59 59 LEU HD21 H 1 0.980 0.020 . 2 . . . A 55 LEU HD21 . 17412 1 579 . 1 1 59 59 LEU HD22 H 1 0.980 0.020 . 2 . . . A 55 LEU HD22 . 17412 1 580 . 1 1 59 59 LEU HD23 H 1 0.980 0.020 . 2 . . . A 55 LEU HD23 . 17412 1 581 . 1 1 59 59 LEU C C 13 177.089 0.400 . 1 . . . A 55 LEU C . 17412 1 582 . 1 1 59 59 LEU CA C 13 55.572 0.400 . 1 . . . A 55 LEU CA . 17412 1 583 . 1 1 59 59 LEU CB C 13 43.770 0.400 . 1 . . . A 55 LEU CB . 17412 1 584 . 1 1 59 59 LEU CG C 13 26.999 0.400 . 1 . . . A 55 LEU CG . 17412 1 585 . 1 1 59 59 LEU CD1 C 13 25.514 0.400 . 2 . . . A 55 LEU CD1 . 17412 1 586 . 1 1 59 59 LEU CD2 C 13 25.800 0.400 . 2 . . . A 55 LEU CD2 . 17412 1 587 . 1 1 59 59 LEU N N 15 123.243 0.400 . 1 . . . A 55 LEU N . 17412 1 588 . 1 1 60 60 THR H H 1 8.750 0.020 . 1 . . . A 56 THR H . 17412 1 589 . 1 1 60 60 THR HA H 1 4.935 0.020 . 1 . . . A 56 THR HA . 17412 1 590 . 1 1 60 60 THR HB H 1 4.192 0.020 . 1 . . . A 56 THR HB . 17412 1 591 . 1 1 60 60 THR HG21 H 1 1.262 0.020 . 1 . . . A 56 THR HG21 . 17412 1 592 . 1 1 60 60 THR HG22 H 1 1.262 0.020 . 1 . . . A 56 THR HG22 . 17412 1 593 . 1 1 60 60 THR HG23 H 1 1.262 0.020 . 1 . . . A 56 THR HG23 . 17412 1 594 . 1 1 60 60 THR C C 13 176.342 0.400 . 1 . . . A 56 THR C . 17412 1 595 . 1 1 60 60 THR CA C 13 61.281 0.400 . 1 . . . A 56 THR CA . 17412 1 596 . 1 1 60 60 THR CB C 13 71.430 0.400 . 1 . . . A 56 THR CB . 17412 1 597 . 1 1 60 60 THR CG2 C 13 22.179 0.400 . 1 . . . A 56 THR CG2 . 17412 1 598 . 1 1 60 60 THR N N 15 116.283 0.400 . 1 . . . A 56 THR N . 17412 1 599 . 1 1 61 61 VAL H H 1 9.101 0.020 . 1 . . . A 57 VAL H . 17412 1 600 . 1 1 61 61 VAL HA H 1 3.718 0.020 . 1 . . . A 57 VAL HA . 17412 1 601 . 1 1 61 61 VAL HB H 1 2.324 0.020 . 1 . . . A 57 VAL HB . 17412 1 602 . 1 1 61 61 VAL HG11 H 1 0.983 0.020 . 2 . . . A 57 VAL HG11 . 17412 1 603 . 1 1 61 61 VAL HG12 H 1 0.983 0.020 . 2 . . . A 57 VAL HG12 . 17412 1 604 . 1 1 61 61 VAL HG13 H 1 0.983 0.020 . 2 . . . A 57 VAL HG13 . 17412 1 605 . 1 1 61 61 VAL HG21 H 1 0.831 0.020 . 2 . . . A 57 VAL HG21 . 17412 1 606 . 1 1 61 61 VAL HG22 H 1 0.831 0.020 . 2 . . . A 57 VAL HG22 . 17412 1 607 . 1 1 61 61 VAL HG23 H 1 0.831 0.020 . 2 . . . A 57 VAL HG23 . 17412 1 608 . 1 1 61 61 VAL C C 13 178.799 0.400 . 1 . . . A 57 VAL C . 17412 1 609 . 1 1 61 61 VAL CA C 13 66.509 0.400 . 1 . . . A 57 VAL CA . 17412 1 610 . 1 1 61 61 VAL CB C 13 31.611 0.400 . 1 . . . A 57 VAL CB . 17412 1 611 . 1 1 61 61 VAL CG1 C 13 24.848 0.400 . 2 . . . A 57 VAL CG1 . 17412 1 612 . 1 1 61 61 VAL CG2 C 13 22.156 0.400 . 2 . . . A 57 VAL CG2 . 17412 1 613 . 1 1 61 61 VAL N N 15 122.900 0.400 . 1 . . . A 57 VAL N . 17412 1 614 . 1 1 62 62 GLY H H 1 8.953 0.020 . 1 . . . A 58 GLY H . 17412 1 615 . 1 1 62 62 GLY HA2 H 1 4.064 0.020 . 2 . . . A 58 GLY HA2 . 17412 1 616 . 1 1 62 62 GLY HA3 H 1 3.840 0.020 . 2 . . . A 58 GLY HA3 . 17412 1 617 . 1 1 62 62 GLY C C 13 176.438 0.400 . 1 . . . A 58 GLY C . 17412 1 618 . 1 1 62 62 GLY CA C 13 47.660 0.400 . 1 . . . A 58 GLY CA . 17412 1 619 . 1 1 62 62 GLY N N 15 105.350 0.400 . 1 . . . A 58 GLY N . 17412 1 620 . 1 1 63 63 GLN H H 1 8.080 0.020 . 1 . . . A 59 GLN H . 17412 1 621 . 1 1 63 63 GLN HA H 1 4.253 0.020 . 1 . . . A 59 GLN HA . 17412 1 622 . 1 1 63 63 GLN HB2 H 1 2.480 0.020 . 2 . . . A 59 GLN HB2 . 17412 1 623 . 1 1 63 63 GLN HB3 H 1 2.056 0.020 . 2 . . . A 59 GLN HB3 . 17412 1 624 . 1 1 63 63 GLN HG2 H 1 2.490 0.020 . 2 . . . A 59 GLN HG2 . 17412 1 625 . 1 1 63 63 GLN HG3 H 1 2.490 0.020 . 2 . . . A 59 GLN HG3 . 17412 1 626 . 1 1 63 63 GLN HE21 H 1 7.622 0.020 . 2 . . . A 59 GLN HE21 . 17412 1 627 . 1 1 63 63 GLN HE22 H 1 6.877 0.020 . 2 . . . A 59 GLN HE22 . 17412 1 628 . 1 1 63 63 GLN C C 13 179.186 0.400 . 1 . . . A 59 GLN C . 17412 1 629 . 1 1 63 63 GLN CA C 13 58.957 0.400 . 1 . . . A 59 GLN CA . 17412 1 630 . 1 1 63 63 GLN CB C 13 29.022 0.400 . 1 . . . A 59 GLN CB . 17412 1 631 . 1 1 63 63 GLN CG C 13 35.105 0.400 . 1 . . . A 59 GLN CG . 17412 1 632 . 1 1 63 63 GLN N N 15 121.634 0.400 . 1 . . . A 59 GLN N . 17412 1 633 . 1 1 64 64 PHE H H 1 8.686 0.020 . 1 . . . A 60 PHE H . 17412 1 634 . 1 1 64 64 PHE HA H 1 4.432 0.020 . 1 . . . A 60 PHE HA . 17412 1 635 . 1 1 64 64 PHE HB2 H 1 3.351 0.020 . 2 . . . A 60 PHE HB2 . 17412 1 636 . 1 1 64 64 PHE HB3 H 1 3.126 0.020 . 2 . . . A 60 PHE HB3 . 17412 1 637 . 1 1 64 64 PHE HD1 H 1 6.960 0.020 . 3 . . . A 60 PHE HD1 . 17412 1 638 . 1 1 64 64 PHE HD2 H 1 6.960 0.020 . 3 . . . A 60 PHE HD2 . 17412 1 639 . 1 1 64 64 PHE HE1 H 1 6.566 0.020 . 3 . . . A 60 PHE HE1 . 17412 1 640 . 1 1 64 64 PHE HE2 H 1 6.566 0.020 . 3 . . . A 60 PHE HE2 . 17412 1 641 . 1 1 64 64 PHE HZ H 1 6.387 0.020 . 1 . . . A 60 PHE HZ . 17412 1 642 . 1 1 64 64 PHE C C 13 177.163 0.400 . 1 . . . A 60 PHE C . 17412 1 643 . 1 1 64 64 PHE CA C 13 60.956 0.400 . 1 . . . A 60 PHE CA . 17412 1 644 . 1 1 64 64 PHE CB C 13 39.405 0.400 . 1 . . . A 60 PHE CB . 17412 1 645 . 1 1 64 64 PHE CD2 C 13 131.256 0.400 . 3 . . . A 60 PHE CD2 . 17412 1 646 . 1 1 64 64 PHE CE2 C 13 130.029 0.400 . 3 . . . A 60 PHE CE2 . 17412 1 647 . 1 1 64 64 PHE CZ C 13 128.732 0.400 . 1 . . . A 60 PHE CZ . 17412 1 648 . 1 1 64 64 PHE N N 15 123.410 0.400 . 1 . . . A 60 PHE N . 17412 1 649 . 1 1 65 65 TYR H H 1 9.135 0.020 . 1 . . . A 61 TYR H . 17412 1 650 . 1 1 65 65 TYR HA H 1 3.798 0.020 . 1 . . . A 61 TYR HA . 17412 1 651 . 1 1 65 65 TYR HB2 H 1 2.935 0.020 . 2 . . . A 61 TYR HB2 . 17412 1 652 . 1 1 65 65 TYR HB3 H 1 2.816 0.020 . 2 . . . A 61 TYR HB3 . 17412 1 653 . 1 1 65 65 TYR HD1 H 1 6.119 0.020 . 3 . . . A 61 TYR HD1 . 17412 1 654 . 1 1 65 65 TYR HD2 H 1 6.119 0.020 . 3 . . . A 61 TYR HD2 . 17412 1 655 . 1 1 65 65 TYR HE1 H 1 6.125 0.020 . 3 . . . A 61 TYR HE1 . 17412 1 656 . 1 1 65 65 TYR HE2 H 1 6.125 0.020 . 3 . . . A 61 TYR HE2 . 17412 1 657 . 1 1 65 65 TYR C C 13 177.896 0.400 . 1 . . . A 61 TYR C . 17412 1 658 . 1 1 65 65 TYR CA C 13 61.135 0.400 . 1 . . . A 61 TYR CA . 17412 1 659 . 1 1 65 65 TYR CB C 13 38.045 0.400 . 1 . . . A 61 TYR CB . 17412 1 660 . 1 1 65 65 TYR CD1 C 13 131.880 0.400 . 3 . . . A 61 TYR CD1 . 17412 1 661 . 1 1 65 65 TYR CE1 C 13 118.072 0.400 . 3 . . . A 61 TYR CE1 . 17412 1 662 . 1 1 65 65 TYR N N 15 118.605 0.400 . 1 . . . A 61 TYR N . 17412 1 663 . 1 1 66 66 PHE H H 1 7.584 0.020 . 1 . . . A 62 PHE H . 17412 1 664 . 1 1 66 66 PHE HA H 1 3.960 0.020 . 1 . . . A 62 PHE HA . 17412 1 665 . 1 1 66 66 PHE HB2 H 1 3.285 0.020 . 2 . . . A 62 PHE HB2 . 17412 1 666 . 1 1 66 66 PHE HB3 H 1 3.186 0.020 . 2 . . . A 62 PHE HB3 . 17412 1 667 . 1 1 66 66 PHE HD1 H 1 7.300 0.020 . 3 . . . A 62 PHE HD1 . 17412 1 668 . 1 1 66 66 PHE HD2 H 1 7.300 0.020 . 3 . . . A 62 PHE HD2 . 17412 1 669 . 1 1 66 66 PHE HE1 H 1 7.298 0.020 . 3 . . . A 62 PHE HE1 . 17412 1 670 . 1 1 66 66 PHE HE2 H 1 7.298 0.020 . 3 . . . A 62 PHE HE2 . 17412 1 671 . 1 1 66 66 PHE C C 13 178.488 0.400 . 1 . . . A 62 PHE C . 17412 1 672 . 1 1 66 66 PHE CA C 13 61.919 0.400 . 1 . . . A 62 PHE CA . 17412 1 673 . 1 1 66 66 PHE CB C 13 38.751 0.400 . 1 . . . A 62 PHE CB . 17412 1 674 . 1 1 66 66 PHE CD2 C 13 131.920 0.400 . 3 . . . A 62 PHE CD2 . 17412 1 675 . 1 1 66 66 PHE N N 15 117.541 0.400 . 1 . . . A 62 PHE N . 17412 1 676 . 1 1 67 67 LEU H H 1 7.732 0.020 . 1 . . . A 63 LEU H . 17412 1 677 . 1 1 67 67 LEU HA H 1 3.959 0.020 . 1 . . . A 63 LEU HA . 17412 1 678 . 1 1 67 67 LEU HB2 H 1 1.945 0.020 . 2 . . . A 63 LEU HB2 . 17412 1 679 . 1 1 67 67 LEU HB3 H 1 1.510 0.020 . 2 . . . A 63 LEU HB3 . 17412 1 680 . 1 1 67 67 LEU HG H 1 1.577 0.020 . 1 . . . A 63 LEU HG . 17412 1 681 . 1 1 67 67 LEU HD11 H 1 1.000 0.020 . 2 . . . A 63 LEU HD11 . 17412 1 682 . 1 1 67 67 LEU HD12 H 1 1.000 0.020 . 2 . . . A 63 LEU HD12 . 17412 1 683 . 1 1 67 67 LEU HD13 H 1 1.000 0.020 . 2 . . . A 63 LEU HD13 . 17412 1 684 . 1 1 67 67 LEU HD21 H 1 1.200 0.020 . 2 . . . A 63 LEU HD21 . 17412 1 685 . 1 1 67 67 LEU HD22 H 1 1.200 0.020 . 2 . . . A 63 LEU HD22 . 17412 1 686 . 1 1 67 67 LEU HD23 H 1 1.200 0.020 . 2 . . . A 63 LEU HD23 . 17412 1 687 . 1 1 67 67 LEU CA C 13 58.072 0.400 . 1 . . . A 63 LEU CA . 17412 1 688 . 1 1 67 67 LEU CB C 13 41.594 0.400 . 1 . . . A 63 LEU CB . 17412 1 689 . 1 1 67 67 LEU CG C 13 26.762 0.400 . 1 . . . A 63 LEU CG . 17412 1 690 . 1 1 67 67 LEU CD1 C 13 23.597 0.400 . 2 . . . A 63 LEU CD1 . 17412 1 691 . 1 1 67 67 LEU CD2 C 13 23.597 0.400 . 2 . . . A 63 LEU CD2 . 17412 1 692 . 1 1 67 67 LEU N N 15 119.371 0.400 . 1 . . . A 63 LEU N . 17412 1 693 . 1 1 68 68 ILE H H 1 7.966 0.020 . 1 . . . A 64 ILE H . 17412 1 694 . 1 1 68 68 ILE HA H 1 3.462 0.020 . 1 . . . A 64 ILE HA . 17412 1 695 . 1 1 68 68 ILE HB H 1 1.754 0.020 . 1 . . . A 64 ILE HB . 17412 1 696 . 1 1 68 68 ILE HG12 H 1 0.661 0.020 . 2 . . . A 64 ILE HG12 . 17412 1 697 . 1 1 68 68 ILE HG13 H 1 0.252 0.020 . 2 . . . A 64 ILE HG13 . 17412 1 698 . 1 1 68 68 ILE HG21 H 1 0.322 0.020 . 1 . . . A 64 ILE HG21 . 17412 1 699 . 1 1 68 68 ILE HG22 H 1 0.322 0.020 . 1 . . . A 64 ILE HG22 . 17412 1 700 . 1 1 68 68 ILE HG23 H 1 0.322 0.020 . 1 . . . A 64 ILE HG23 . 17412 1 701 . 1 1 68 68 ILE HD11 H 1 -0.161 0.020 . 1 . . . A 64 ILE HD11 . 17412 1 702 . 1 1 68 68 ILE HD12 H 1 -0.161 0.020 . 1 . . . A 64 ILE HD12 . 17412 1 703 . 1 1 68 68 ILE HD13 H 1 -0.161 0.020 . 1 . . . A 64 ILE HD13 . 17412 1 704 . 1 1 68 68 ILE C C 13 177.690 0.400 . 1 . . . A 64 ILE C . 17412 1 705 . 1 1 68 68 ILE CA C 13 61.497 0.400 . 1 . . . A 64 ILE CA . 17412 1 706 . 1 1 68 68 ILE CB C 13 34.450 0.400 . 1 . . . A 64 ILE CB . 17412 1 707 . 1 1 68 68 ILE CG1 C 13 26.162 0.400 . 1 . . . A 64 ILE CG1 . 17412 1 708 . 1 1 68 68 ILE CG2 C 13 16.945 0.400 . 1 . . . A 64 ILE CG2 . 17412 1 709 . 1 1 68 68 ILE CD1 C 13 7.162 0.400 . 1 . . . A 64 ILE CD1 . 17412 1 710 . 1 1 68 68 ILE N N 15 120.879 0.400 . 1 . . . A 64 ILE N . 17412 1 711 . 1 1 69 69 ARG H H 1 8.316 0.020 . 1 . . . A 65 ARG H . 17412 1 712 . 1 1 69 69 ARG HA H 1 3.314 0.020 . 1 . . . A 65 ARG HA . 17412 1 713 . 1 1 69 69 ARG HB2 H 1 1.571 0.020 . 2 . . . A 65 ARG HB2 . 17412 1 714 . 1 1 69 69 ARG HB3 H 1 1.000 0.020 . 2 . . . A 65 ARG HB3 . 17412 1 715 . 1 1 69 69 ARG HG2 H 1 1.373 0.020 . 2 . . . A 65 ARG HG2 . 17412 1 716 . 1 1 69 69 ARG HG3 H 1 1.303 0.020 . 2 . . . A 65 ARG HG3 . 17412 1 717 . 1 1 69 69 ARG C C 13 178.410 0.400 . 1 . . . A 65 ARG C . 17412 1 718 . 1 1 69 69 ARG CA C 13 60.592 0.400 . 1 . . . A 65 ARG CA . 17412 1 719 . 1 1 69 69 ARG CB C 13 29.604 0.400 . 1 . . . A 65 ARG CB . 17412 1 720 . 1 1 69 69 ARG CG C 13 29.615 0.400 . 1 . . . A 65 ARG CG . 17412 1 721 . 1 1 69 69 ARG CD C 13 43.232 0.400 . 1 . . . A 65 ARG CD . 17412 1 722 . 1 1 69 69 ARG N N 15 118.159 0.400 . 1 . . . A 65 ARG N . 17412 1 723 . 1 1 70 70 LYS H H 1 7.258 0.020 . 1 . . . A 66 LYS H . 17412 1 724 . 1 1 70 70 LYS HA H 1 3.993 0.020 . 1 . . . A 66 LYS HA . 17412 1 725 . 1 1 70 70 LYS HB2 H 1 1.744 0.020 . 2 . . . A 66 LYS HB2 . 17412 1 726 . 1 1 70 70 LYS HB3 H 1 1.714 0.020 . 2 . . . A 66 LYS HB3 . 17412 1 727 . 1 1 70 70 LYS HG2 H 1 1.353 0.020 . 2 . . . A 66 LYS HG2 . 17412 1 728 . 1 1 70 70 LYS HG3 H 1 1.296 0.020 . 2 . . . A 66 LYS HG3 . 17412 1 729 . 1 1 70 70 LYS HD2 H 1 1.584 0.020 . 2 . . . A 66 LYS HD2 . 17412 1 730 . 1 1 70 70 LYS HD3 H 1 1.584 0.020 . 2 . . . A 66 LYS HD3 . 17412 1 731 . 1 1 70 70 LYS HE2 H 1 2.900 0.020 . 2 . . . A 66 LYS HE2 . 17412 1 732 . 1 1 70 70 LYS HE3 H 1 2.900 0.020 . 2 . . . A 66 LYS HE3 . 17412 1 733 . 1 1 70 70 LYS C C 13 179.651 0.400 . 1 . . . A 66 LYS C . 17412 1 734 . 1 1 70 70 LYS CA C 13 58.694 0.400 . 1 . . . A 66 LYS CA . 17412 1 735 . 1 1 70 70 LYS CB C 13 32.500 0.400 . 1 . . . A 66 LYS CB . 17412 1 736 . 1 1 70 70 LYS CG C 13 24.774 0.400 . 1 . . . A 66 LYS CG . 17412 1 737 . 1 1 70 70 LYS CD C 13 29.298 0.400 . 1 . . . A 66 LYS CD . 17412 1 738 . 1 1 70 70 LYS CE C 13 41.935 0.400 . 1 . . . A 66 LYS CE . 17412 1 739 . 1 1 70 70 LYS N N 15 115.289 0.400 . 1 . . . A 66 LYS N . 17412 1 740 . 1 1 71 71 ARG H H 1 7.515 0.020 . 1 . . . A 67 ARG H . 17412 1 741 . 1 1 71 71 ARG HA H 1 3.966 0.020 . 1 . . . A 67 ARG HA . 17412 1 742 . 1 1 71 71 ARG HB2 H 1 1.891 0.020 . 2 . . . A 67 ARG HB2 . 17412 1 743 . 1 1 71 71 ARG HB3 H 1 1.816 0.020 . 2 . . . A 67 ARG HB3 . 17412 1 744 . 1 1 71 71 ARG HG2 H 1 1.601 0.020 . 2 . . . A 67 ARG HG2 . 17412 1 745 . 1 1 71 71 ARG HG3 H 1 1.601 0.020 . 2 . . . A 67 ARG HG3 . 17412 1 746 . 1 1 71 71 ARG HD2 H 1 3.258 0.020 . 2 . . . A 67 ARG HD2 . 17412 1 747 . 1 1 71 71 ARG HD3 H 1 3.258 0.020 . 2 . . . A 67 ARG HD3 . 17412 1 748 . 1 1 71 71 ARG C C 13 177.766 0.400 . 1 . . . A 67 ARG C . 17412 1 749 . 1 1 71 71 ARG CA C 13 58.978 0.400 . 1 . . . A 67 ARG CA . 17412 1 750 . 1 1 71 71 ARG CB C 13 30.625 0.400 . 1 . . . A 67 ARG CB . 17412 1 751 . 1 1 71 71 ARG CG C 13 29.150 0.400 . 1 . . . A 67 ARG CG . 17412 1 752 . 1 1 71 71 ARG CD C 13 43.198 0.400 . 1 . . . A 67 ARG CD . 17412 1 753 . 1 1 71 71 ARG N N 15 119.363 0.400 . 1 . . . A 67 ARG N . 17412 1 754 . 1 1 72 72 ILE H H 1 7.265 0.020 . 1 . . . A 68 ILE H . 17412 1 755 . 1 1 72 72 ILE HA H 1 4.285 0.020 . 1 . . . A 68 ILE HA . 17412 1 756 . 1 1 72 72 ILE HB H 1 1.976 0.020 . 1 . . . A 68 ILE HB . 17412 1 757 . 1 1 72 72 ILE HG12 H 1 1.242 0.020 . 2 . . . A 68 ILE HG12 . 17412 1 758 . 1 1 72 72 ILE HG13 H 1 1.083 0.020 . 2 . . . A 68 ILE HG13 . 17412 1 759 . 1 1 72 72 ILE HG21 H 1 0.728 0.020 . 1 . . . A 68 ILE HG21 . 17412 1 760 . 1 1 72 72 ILE HG22 H 1 0.728 0.020 . 1 . . . A 68 ILE HG22 . 17412 1 761 . 1 1 72 72 ILE HG23 H 1 0.728 0.020 . 1 . . . A 68 ILE HG23 . 17412 1 762 . 1 1 72 72 ILE HD11 H 1 0.456 0.020 . 1 . . . A 68 ILE HD11 . 17412 1 763 . 1 1 72 72 ILE HD12 H 1 0.456 0.020 . 1 . . . A 68 ILE HD12 . 17412 1 764 . 1 1 72 72 ILE HD13 H 1 0.456 0.020 . 1 . . . A 68 ILE HD13 . 17412 1 765 . 1 1 72 72 ILE C C 13 174.078 0.400 . 1 . . . A 68 ILE C . 17412 1 766 . 1 1 72 72 ILE CA C 13 61.424 0.400 . 1 . . . A 68 ILE CA . 17412 1 767 . 1 1 72 72 ILE CB C 13 37.684 0.400 . 1 . . . A 68 ILE CB . 17412 1 768 . 1 1 72 72 ILE CG1 C 13 26.176 0.400 . 1 . . . A 68 ILE CG1 . 17412 1 769 . 1 1 72 72 ILE CG2 C 13 18.591 0.400 . 1 . . . A 68 ILE CG2 . 17412 1 770 . 1 1 72 72 ILE CD1 C 13 14.381 0.400 . 1 . . . A 68 ILE CD1 . 17412 1 771 . 1 1 72 72 ILE N N 15 110.048 0.400 . 1 . . . A 68 ILE N . 17412 1 772 . 1 1 73 73 HIS H H 1 7.328 0.020 . 1 . . . A 69 HIS H . 17412 1 773 . 1 1 73 73 HIS HA H 1 4.163 0.020 . 1 . . . A 69 HIS HA . 17412 1 774 . 1 1 73 73 HIS HB2 H 1 3.339 0.020 . 2 . . . A 69 HIS HB2 . 17412 1 775 . 1 1 73 73 HIS HB3 H 1 3.311 0.020 . 2 . . . A 69 HIS HB3 . 17412 1 776 . 1 1 73 73 HIS HD2 H 1 7.021 0.020 . 1 . . . A 69 HIS HD2 . 17412 1 777 . 1 1 73 73 HIS C C 13 175.009 0.400 . 1 . . . A 69 HIS C . 17412 1 778 . 1 1 73 73 HIS CA C 13 56.668 0.400 . 1 . . . A 69 HIS CA . 17412 1 779 . 1 1 73 73 HIS CB C 13 26.605 0.400 . 1 . . . A 69 HIS CB . 17412 1 780 . 1 1 73 73 HIS CD2 C 13 120.070 0.400 . 1 . . . A 69 HIS CD2 . 17412 1 781 . 1 1 73 73 HIS N N 15 114.711 0.400 . 1 . . . A 69 HIS N . 17412 1 782 . 1 1 74 74 LEU H H 1 7.725 0.020 . 1 . . . A 70 LEU H . 17412 1 783 . 1 1 74 74 LEU HA H 1 4.437 0.020 . 1 . . . A 70 LEU HA . 17412 1 784 . 1 1 74 74 LEU HB2 H 1 1.670 0.020 . 2 . . . A 70 LEU HB2 . 17412 1 785 . 1 1 74 74 LEU HB3 H 1 1.306 0.020 . 2 . . . A 70 LEU HB3 . 17412 1 786 . 1 1 74 74 LEU HG H 1 1.699 0.020 . 1 . . . A 70 LEU HG . 17412 1 787 . 1 1 74 74 LEU HD11 H 1 0.795 0.020 . 2 . . . A 70 LEU HD11 . 17412 1 788 . 1 1 74 74 LEU HD12 H 1 0.795 0.020 . 2 . . . A 70 LEU HD12 . 17412 1 789 . 1 1 74 74 LEU HD13 H 1 0.795 0.020 . 2 . . . A 70 LEU HD13 . 17412 1 790 . 1 1 74 74 LEU HD21 H 1 0.857 0.020 . 2 . . . A 70 LEU HD21 . 17412 1 791 . 1 1 74 74 LEU HD22 H 1 0.857 0.020 . 2 . . . A 70 LEU HD22 . 17412 1 792 . 1 1 74 74 LEU HD23 H 1 0.857 0.020 . 2 . . . A 70 LEU HD23 . 17412 1 793 . 1 1 74 74 LEU C C 13 178.168 0.400 . 1 . . . A 70 LEU C . 17412 1 794 . 1 1 74 74 LEU CA C 13 54.869 0.400 . 1 . . . A 70 LEU CA . 17412 1 795 . 1 1 74 74 LEU CB C 13 42.751 0.400 . 1 . . . A 70 LEU CB . 17412 1 796 . 1 1 74 74 LEU CG C 13 27.159 0.400 . 1 . . . A 70 LEU CG . 17412 1 797 . 1 1 74 74 LEU CD1 C 13 26.930 0.400 . 2 . . . A 70 LEU CD1 . 17412 1 798 . 1 1 74 74 LEU CD2 C 13 23.096 0.400 . 2 . . . A 70 LEU CD2 . 17412 1 799 . 1 1 74 74 LEU N N 15 118.295 0.400 . 1 . . . A 70 LEU N . 17412 1 800 . 1 1 75 75 ARG H H 1 9.171 0.020 . 1 . . . A 71 ARG H . 17412 1 801 . 1 1 75 75 ARG HA H 1 4.520 0.020 . 1 . . . A 71 ARG HA . 17412 1 802 . 1 1 75 75 ARG HB2 H 1 2.100 0.020 . 2 . . . A 71 ARG HB2 . 17412 1 803 . 1 1 75 75 ARG HB3 H 1 1.553 0.020 . 2 . . . A 71 ARG HB3 . 17412 1 804 . 1 1 75 75 ARG HD2 H 1 3.279 0.020 . 2 . . . A 71 ARG HD2 . 17412 1 805 . 1 1 75 75 ARG HD3 H 1 3.279 0.020 . 2 . . . A 71 ARG HD3 . 17412 1 806 . 1 1 75 75 ARG C C 13 176.349 0.400 . 1 . . . A 71 ARG C . 17412 1 807 . 1 1 75 75 ARG CA C 13 54.603 0.400 . 1 . . . A 71 ARG CA . 17412 1 808 . 1 1 75 75 ARG CB C 13 28.663 0.400 . 1 . . . A 71 ARG CB . 17412 1 809 . 1 1 75 75 ARG N N 15 124.098 0.400 . 1 . . . A 71 ARG N . 17412 1 810 . 1 1 76 76 PRO HA H 1 4.087 0.020 . 1 . . . A 72 PRO HA . 17412 1 811 . 1 1 76 76 PRO HB2 H 1 2.334 0.020 . 2 . . . A 72 PRO HB2 . 17412 1 812 . 1 1 76 76 PRO HB3 H 1 1.850 0.020 . 2 . . . A 72 PRO HB3 . 17412 1 813 . 1 1 76 76 PRO HG2 H 1 1.991 0.020 . 2 . . . A 72 PRO HG2 . 17412 1 814 . 1 1 76 76 PRO HG3 H 1 2.183 0.020 . 2 . . . A 72 PRO HG3 . 17412 1 815 . 1 1 76 76 PRO HD2 H 1 3.846 0.020 . 2 . . . A 72 PRO HD2 . 17412 1 816 . 1 1 76 76 PRO HD3 H 1 3.764 0.020 . 2 . . . A 72 PRO HD3 . 17412 1 817 . 1 1 76 76 PRO C C 13 177.532 0.400 . 1 . . . A 72 PRO C . 17412 1 818 . 1 1 76 76 PRO CA C 13 65.751 0.400 . 1 . . . A 72 PRO CA . 17412 1 819 . 1 1 76 76 PRO CB C 13 31.848 0.400 . 1 . . . A 72 PRO CB . 17412 1 820 . 1 1 76 76 PRO CG C 13 27.897 0.400 . 1 . . . A 72 PRO CG . 17412 1 821 . 1 1 76 76 PRO CD C 13 50.031 0.400 . 1 . . . A 72 PRO CD . 17412 1 822 . 1 1 77 77 GLU H H 1 8.945 0.020 . 1 . . . A 73 GLU H . 17412 1 823 . 1 1 77 77 GLU HA H 1 4.123 0.020 . 1 . . . A 73 GLU HA . 17412 1 824 . 1 1 77 77 GLU HB2 H 1 2.007 0.020 . 2 . . . A 73 GLU HB2 . 17412 1 825 . 1 1 77 77 GLU HB3 H 1 2.007 0.020 . 2 . . . A 73 GLU HB3 . 17412 1 826 . 1 1 77 77 GLU HG2 H 1 2.217 0.020 . 2 . . . A 73 GLU HG2 . 17412 1 827 . 1 1 77 77 GLU HG3 H 1 2.217 0.020 . 2 . . . A 73 GLU HG3 . 17412 1 828 . 1 1 77 77 GLU C C 13 176.834 0.400 . 1 . . . A 73 GLU C . 17412 1 829 . 1 1 77 77 GLU CA C 13 57.400 0.400 . 1 . . . A 73 GLU CA . 17412 1 830 . 1 1 77 77 GLU CB C 13 28.732 0.400 . 1 . . . A 73 GLU CB . 17412 1 831 . 1 1 77 77 GLU CG C 13 36.012 0.400 . 1 . . . A 73 GLU CG . 17412 1 832 . 1 1 77 77 GLU N N 15 112.238 0.400 . 1 . . . A 73 GLU N . 17412 1 833 . 1 1 78 78 ASP H H 1 7.677 0.020 . 1 . . . A 74 ASP H . 17412 1 834 . 1 1 78 78 ASP HA H 1 4.619 0.020 . 1 . . . A 74 ASP HA . 17412 1 835 . 1 1 78 78 ASP HB2 H 1 2.813 0.020 . 2 . . . A 74 ASP HB2 . 17412 1 836 . 1 1 78 78 ASP HB3 H 1 2.780 0.020 . 2 . . . A 74 ASP HB3 . 17412 1 837 . 1 1 78 78 ASP C C 13 175.547 0.400 . 1 . . . A 74 ASP C . 17412 1 838 . 1 1 78 78 ASP CA C 13 54.924 0.400 . 1 . . . A 74 ASP CA . 17412 1 839 . 1 1 78 78 ASP CB C 13 42.049 0.400 . 1 . . . A 74 ASP CB . 17412 1 840 . 1 1 78 78 ASP N N 15 122.250 0.400 . 1 . . . A 74 ASP N . 17412 1 841 . 1 1 79 79 ALA H H 1 8.528 0.020 . 1 . . . A 75 ALA H . 17412 1 842 . 1 1 79 79 ALA HA H 1 4.106 0.020 . 1 . . . A 75 ALA HA . 17412 1 843 . 1 1 79 79 ALA HB1 H 1 1.446 0.020 . 1 . . . A 75 ALA HB1 . 17412 1 844 . 1 1 79 79 ALA HB2 H 1 1.446 0.020 . 1 . . . A 75 ALA HB2 . 17412 1 845 . 1 1 79 79 ALA HB3 H 1 1.446 0.020 . 1 . . . A 75 ALA HB3 . 17412 1 846 . 1 1 79 79 ALA C C 13 175.789 0.400 . 1 . . . A 75 ALA C . 17412 1 847 . 1 1 79 79 ALA CA C 13 52.199 0.400 . 1 . . . A 75 ALA CA . 17412 1 848 . 1 1 79 79 ALA CB C 13 20.583 0.400 . 1 . . . A 75 ALA CB . 17412 1 849 . 1 1 79 79 ALA N N 15 127.475 0.400 . 1 . . . A 75 ALA N . 17412 1 850 . 1 1 80 80 LEU H H 1 7.197 0.020 . 1 . . . A 76 LEU H . 17412 1 851 . 1 1 80 80 LEU HA H 1 4.522 0.020 . 1 . . . A 76 LEU HA . 17412 1 852 . 1 1 80 80 LEU HB2 H 1 1.144 0.020 . 2 . . . A 76 LEU HB2 . 17412 1 853 . 1 1 80 80 LEU HB3 H 1 1.171 0.020 . 2 . . . A 76 LEU HB3 . 17412 1 854 . 1 1 80 80 LEU HG H 1 0.384 0.020 . 1 . . . A 76 LEU HG . 17412 1 855 . 1 1 80 80 LEU HD11 H 1 0.899 0.020 . 2 . . . A 76 LEU HD11 . 17412 1 856 . 1 1 80 80 LEU HD12 H 1 0.899 0.020 . 2 . . . A 76 LEU HD12 . 17412 1 857 . 1 1 80 80 LEU HD13 H 1 0.899 0.020 . 2 . . . A 76 LEU HD13 . 17412 1 858 . 1 1 80 80 LEU HD21 H 1 0.899 0.020 . 2 . . . A 76 LEU HD21 . 17412 1 859 . 1 1 80 80 LEU HD22 H 1 0.899 0.020 . 2 . . . A 76 LEU HD22 . 17412 1 860 . 1 1 80 80 LEU HD23 H 1 0.899 0.020 . 2 . . . A 76 LEU HD23 . 17412 1 861 . 1 1 80 80 LEU C C 13 173.675 0.400 . 1 . . . A 76 LEU C . 17412 1 862 . 1 1 80 80 LEU CA C 13 55.137 0.400 . 1 . . . A 76 LEU CA . 17412 1 863 . 1 1 80 80 LEU CB C 13 45.072 0.400 . 1 . . . A 76 LEU CB . 17412 1 864 . 1 1 80 80 LEU CG C 13 26.368 0.400 . 1 . . . A 76 LEU CG . 17412 1 865 . 1 1 80 80 LEU CD1 C 13 24.188 0.400 . 2 . . . A 76 LEU CD1 . 17412 1 866 . 1 1 80 80 LEU CD2 C 13 24.188 0.400 . 2 . . . A 76 LEU CD2 . 17412 1 867 . 1 1 80 80 LEU N N 15 116.920 0.400 . 1 . . . A 76 LEU N . 17412 1 868 . 1 1 81 81 PHE H H 1 9.311 0.020 . 1 . . . A 77 PHE H . 17412 1 869 . 1 1 81 81 PHE HA H 1 4.720 0.020 . 1 . . . A 77 PHE HA . 17412 1 870 . 1 1 81 81 PHE HB2 H 1 2.596 0.020 . 2 . . . A 77 PHE HB2 . 17412 1 871 . 1 1 81 81 PHE HB3 H 1 2.596 0.020 . 2 . . . A 77 PHE HB3 . 17412 1 872 . 1 1 81 81 PHE HD1 H 1 6.953 0.020 . 3 . . . A 77 PHE HD1 . 17412 1 873 . 1 1 81 81 PHE HD2 H 1 6.953 0.020 . 3 . . . A 77 PHE HD2 . 17412 1 874 . 1 1 81 81 PHE HE1 H 1 7.245 0.020 . 3 . . . A 77 PHE HE1 . 17412 1 875 . 1 1 81 81 PHE HE2 H 1 7.245 0.020 . 3 . . . A 77 PHE HE2 . 17412 1 876 . 1 1 81 81 PHE C C 13 174.193 0.400 . 1 . . . A 77 PHE C . 17412 1 877 . 1 1 81 81 PHE CA C 13 57.109 0.400 . 1 . . . A 77 PHE CA . 17412 1 878 . 1 1 81 81 PHE CB C 13 42.888 0.400 . 1 . . . A 77 PHE CB . 17412 1 879 . 1 1 81 81 PHE CD2 C 13 132.319 0.400 . 3 . . . A 77 PHE CD2 . 17412 1 880 . 1 1 81 81 PHE CE2 C 13 131.060 0.400 . 3 . . . A 77 PHE CE2 . 17412 1 881 . 1 1 81 81 PHE N N 15 125.025 0.400 . 1 . . . A 77 PHE N . 17412 1 882 . 1 1 83 83 PHE H H 1 9.186 0.020 . 1 . . . A 79 PHE H . 17412 1 883 . 1 1 83 83 PHE HA H 1 5.125 0.020 . 1 . . . A 79 PHE HA . 17412 1 884 . 1 1 83 83 PHE HB2 H 1 2.766 0.020 . 2 . . . A 79 PHE HB2 . 17412 1 885 . 1 1 83 83 PHE HB3 H 1 2.766 0.020 . 2 . . . A 79 PHE HB3 . 17412 1 886 . 1 1 83 83 PHE HD1 H 1 6.887 0.020 . 3 . . . A 79 PHE HD1 . 17412 1 887 . 1 1 83 83 PHE HD2 H 1 6.887 0.020 . 3 . . . A 79 PHE HD2 . 17412 1 888 . 1 1 83 83 PHE HE1 H 1 7.257 0.020 . 3 . . . A 79 PHE HE1 . 17412 1 889 . 1 1 83 83 PHE HE2 H 1 7.257 0.020 . 3 . . . A 79 PHE HE2 . 17412 1 890 . 1 1 83 83 PHE C C 13 176.419 0.400 . 1 . . . A 79 PHE C . 17412 1 891 . 1 1 83 83 PHE CA C 13 56.449 0.400 . 1 . . . A 79 PHE CA . 17412 1 892 . 1 1 83 83 PHE CB C 13 43.298 0.400 . 1 . . . A 79 PHE CB . 17412 1 893 . 1 1 83 83 PHE CD1 C 13 131.675 0.400 . 3 . . . A 79 PHE CD1 . 17412 1 894 . 1 1 83 83 PHE CE1 C 13 131.215 0.400 . 3 . . . A 79 PHE CE1 . 17412 1 895 . 1 1 83 83 PHE N N 15 113.475 0.400 . 1 . . . A 79 PHE N . 17412 1 896 . 1 1 82 82 PHE H H 1 8.163 0.020 . 1 . . . A 78 PHE H . 17412 1 897 . 1 1 82 82 PHE HA H 1 5.911 0.020 . 1 . . . A 78 PHE HA . 17412 1 898 . 1 1 82 82 PHE HB2 H 1 2.866 0.020 . 2 . . . A 78 PHE HB2 . 17412 1 899 . 1 1 82 82 PHE HB3 H 1 2.866 0.020 . 2 . . . A 78 PHE HB3 . 17412 1 900 . 1 1 82 82 PHE HD1 H 1 6.887 0.020 . 3 . . . A 78 PHE HD1 . 17412 1 901 . 1 1 82 82 PHE HD2 H 1 6.887 0.020 . 3 . . . A 78 PHE HD2 . 17412 1 902 . 1 1 82 82 PHE HE1 H 1 6.836 0.020 . 3 . . . A 78 PHE HE1 . 17412 1 903 . 1 1 82 82 PHE HE2 H 1 6.836 0.020 . 3 . . . A 78 PHE HE2 . 17412 1 904 . 1 1 82 82 PHE HZ H 1 7.262 0.020 . 1 . . . A 78 PHE HZ . 17412 1 905 . 1 1 82 82 PHE C C 13 173.902 0.400 . 1 . . . A 78 PHE C . 17412 1 906 . 1 1 82 82 PHE CA C 13 52.621 0.400 . 1 . . . A 78 PHE CA . 17412 1 907 . 1 1 82 82 PHE CB C 13 41.468 0.400 . 1 . . . A 78 PHE CB . 17412 1 908 . 1 1 82 82 PHE CD2 C 13 131.676 0.400 . 3 . . . A 78 PHE CD2 . 17412 1 909 . 1 1 82 82 PHE CE2 C 13 129.647 0.400 . 3 . . . A 78 PHE CE2 . 17412 1 910 . 1 1 82 82 PHE CZ C 13 129.472 0.400 . 1 . . . A 78 PHE CZ . 17412 1 911 . 1 1 82 82 PHE N N 15 120.095 0.400 . 1 . . . A 78 PHE N . 17412 1 912 . 1 1 84 84 VAL H H 1 9.299 0.020 . 1 . . . A 80 VAL H . 17412 1 913 . 1 1 84 84 VAL HA H 1 4.596 0.020 . 1 . . . A 80 VAL HA . 17412 1 914 . 1 1 84 84 VAL HB H 1 1.980 0.020 . 1 . . . A 80 VAL HB . 17412 1 915 . 1 1 84 84 VAL HG11 H 1 1.056 0.020 . 2 . . . A 80 VAL HG11 . 17412 1 916 . 1 1 84 84 VAL HG12 H 1 1.056 0.020 . 2 . . . A 80 VAL HG12 . 17412 1 917 . 1 1 84 84 VAL HG13 H 1 1.056 0.020 . 2 . . . A 80 VAL HG13 . 17412 1 918 . 1 1 84 84 VAL HG21 H 1 0.926 0.020 . 2 . . . A 80 VAL HG21 . 17412 1 919 . 1 1 84 84 VAL HG22 H 1 0.926 0.020 . 2 . . . A 80 VAL HG22 . 17412 1 920 . 1 1 84 84 VAL HG23 H 1 0.926 0.020 . 2 . . . A 80 VAL HG23 . 17412 1 921 . 1 1 84 84 VAL C C 13 176.298 0.400 . 1 . . . A 80 VAL C . 17412 1 922 . 1 1 84 84 VAL CA C 13 60.980 0.400 . 1 . . . A 80 VAL CA . 17412 1 923 . 1 1 84 84 VAL CB C 13 34.596 0.400 . 1 . . . A 80 VAL CB . 17412 1 924 . 1 1 84 84 VAL CG1 C 13 21.950 0.400 . 2 . . . A 80 VAL CG1 . 17412 1 925 . 1 1 84 84 VAL CG2 C 13 21.466 0.400 . 2 . . . A 80 VAL CG2 . 17412 1 926 . 1 1 84 84 VAL N N 15 122.057 0.400 . 1 . . . A 80 VAL N . 17412 1 927 . 1 1 85 85 ASN H H 1 10.194 0.020 . 1 . . . A 81 ASN H . 17412 1 928 . 1 1 85 85 ASN HA H 1 4.370 0.020 . 1 . . . A 81 ASN HA . 17412 1 929 . 1 1 85 85 ASN HB2 H 1 3.126 0.020 . 2 . . . A 81 ASN HB2 . 17412 1 930 . 1 1 85 85 ASN HB3 H 1 2.748 0.020 . 2 . . . A 81 ASN HB3 . 17412 1 931 . 1 1 85 85 ASN HD21 H 1 7.088 0.020 . 2 . . . A 81 ASN HD21 . 17412 1 932 . 1 1 85 85 ASN C C 13 175.236 0.400 . 1 . . . A 81 ASN C . 17412 1 933 . 1 1 85 85 ASN CA C 13 55.269 0.400 . 1 . . . A 81 ASN CA . 17412 1 934 . 1 1 85 85 ASN CB C 13 37.474 0.400 . 1 . . . A 81 ASN CB . 17412 1 935 . 1 1 85 85 ASN N N 15 128.569 0.400 . 1 . . . A 81 ASN N . 17412 1 936 . 1 1 86 86 ASN H H 1 9.000 0.020 . 1 . . . A 82 ASN H . 17412 1 937 . 1 1 86 86 ASN HA H 1 4.238 0.020 . 1 . . . A 82 ASN HA . 17412 1 938 . 1 1 86 86 ASN HB2 H 1 3.101 0.020 . 2 . . . A 82 ASN HB2 . 17412 1 939 . 1 1 86 86 ASN HB3 H 1 3.021 0.020 . 2 . . . A 82 ASN HB3 . 17412 1 940 . 1 1 86 86 ASN HD21 H 1 7.410 0.020 . 2 . . . A 82 ASN HD21 . 17412 1 941 . 1 1 86 86 ASN HD22 H 1 6.821 0.020 . 2 . . . A 82 ASN HD22 . 17412 1 942 . 1 1 86 86 ASN C C 13 174.024 0.400 . 1 . . . A 82 ASN C . 17412 1 943 . 1 1 86 86 ASN CA C 13 55.297 0.400 . 1 . . . A 82 ASN CA . 17412 1 944 . 1 1 86 86 ASN CB C 13 38.115 0.400 . 1 . . . A 82 ASN CB . 17412 1 945 . 1 1 86 86 ASN N N 15 109.130 0.400 . 1 . . . A 82 ASN N . 17412 1 946 . 1 1 87 87 THR H H 1 7.979 0.020 . 1 . . . A 83 THR H . 17412 1 947 . 1 1 87 87 THR HA H 1 4.843 0.020 . 1 . . . A 83 THR HA . 17412 1 948 . 1 1 87 87 THR HB H 1 4.176 0.020 . 1 . . . A 83 THR HB . 17412 1 949 . 1 1 87 87 THR HG21 H 1 1.259 0.020 . 1 . . . A 83 THR HG21 . 17412 1 950 . 1 1 87 87 THR HG22 H 1 1.259 0.020 . 1 . . . A 83 THR HG22 . 17412 1 951 . 1 1 87 87 THR HG23 H 1 1.259 0.020 . 1 . . . A 83 THR HG23 . 17412 1 952 . 1 1 87 87 THR C C 13 172.723 0.400 . 1 . . . A 83 THR C . 17412 1 953 . 1 1 87 87 THR CA C 13 61.030 0.400 . 1 . . . A 83 THR CA . 17412 1 954 . 1 1 87 87 THR CB C 13 72.137 0.400 . 1 . . . A 83 THR CB . 17412 1 955 . 1 1 87 87 THR CG2 C 13 21.313 0.400 . 1 . . . A 83 THR CG2 . 17412 1 956 . 1 1 87 87 THR N N 15 113.363 0.400 . 1 . . . A 83 THR N . 17412 1 957 . 1 1 88 88 ILE H H 1 8.622 0.020 . 1 . . . A 84 ILE H . 17412 1 958 . 1 1 88 88 ILE HA H 1 5.200 0.020 . 1 . . . A 84 ILE HA . 17412 1 959 . 1 1 88 88 ILE HB H 1 1.778 0.020 . 1 . . . A 84 ILE HB . 17412 1 960 . 1 1 88 88 ILE HG12 H 1 1.472 0.020 . 2 . . . A 84 ILE HG12 . 17412 1 961 . 1 1 88 88 ILE HG13 H 1 0.782 0.020 . 2 . . . A 84 ILE HG13 . 17412 1 962 . 1 1 88 88 ILE HG21 H 1 1.143 0.020 . 1 . . . A 84 ILE HG21 . 17412 1 963 . 1 1 88 88 ILE HG22 H 1 1.143 0.020 . 1 . . . A 84 ILE HG22 . 17412 1 964 . 1 1 88 88 ILE HG23 H 1 1.143 0.020 . 1 . . . A 84 ILE HG23 . 17412 1 965 . 1 1 88 88 ILE HD11 H 1 0.788 0.020 . 1 . . . A 84 ILE HD11 . 17412 1 966 . 1 1 88 88 ILE HD12 H 1 0.788 0.020 . 1 . . . A 84 ILE HD12 . 17412 1 967 . 1 1 88 88 ILE HD13 H 1 0.788 0.020 . 1 . . . A 84 ILE HD13 . 17412 1 968 . 1 1 88 88 ILE C C 13 175.767 0.400 . 1 . . . A 84 ILE C . 17412 1 969 . 1 1 88 88 ILE CA C 13 58.723 0.400 . 1 . . . A 84 ILE CA . 17412 1 970 . 1 1 88 88 ILE CB C 13 38.981 0.400 . 1 . . . A 84 ILE CB . 17412 1 971 . 1 1 88 88 ILE CG1 C 13 27.235 0.400 . 1 . . . A 84 ILE CG1 . 17412 1 972 . 1 1 88 88 ILE CG2 C 13 16.815 0.400 . 1 . . . A 84 ILE CG2 . 17412 1 973 . 1 1 88 88 ILE CD1 C 13 13.666 0.400 . 1 . . . A 84 ILE CD1 . 17412 1 974 . 1 1 88 88 ILE N N 15 127.615 0.400 . 1 . . . A 84 ILE N . 17412 1 975 . 1 1 89 89 PRO HD2 H 1 4.105 0.020 . 2 . . . A 85 PRO HD2 . 17412 1 976 . 1 1 89 89 PRO HD3 H 1 4.015 0.020 . 2 . . . A 85 PRO HD3 . 17412 1 977 . 1 1 89 89 PRO CD C 13 50.890 0.400 . 1 . . . A 85 PRO CD . 17412 1 978 . 1 1 90 90 PRO HA H 1 4.717 0.020 . 1 . . . A 86 PRO HA . 17412 1 979 . 1 1 90 90 PRO HB2 H 1 2.436 0.020 . 2 . . . A 86 PRO HB2 . 17412 1 980 . 1 1 90 90 PRO HB3 H 1 2.027 0.020 . 2 . . . A 86 PRO HB3 . 17412 1 981 . 1 1 90 90 PRO HG2 H 1 2.157 0.020 . 2 . . . A 86 PRO HG2 . 17412 1 982 . 1 1 90 90 PRO HG3 H 1 2.157 0.020 . 2 . . . A 86 PRO HG3 . 17412 1 983 . 1 1 90 90 PRO HD2 H 1 3.950 0.020 . 2 . . . A 86 PRO HD2 . 17412 1 984 . 1 1 90 90 PRO HD3 H 1 3.572 0.020 . 2 . . . A 86 PRO HD3 . 17412 1 985 . 1 1 90 90 PRO C C 13 178.296 0.400 . 1 . . . A 86 PRO C . 17412 1 986 . 1 1 90 90 PRO CA C 13 62.233 0.400 . 1 . . . A 86 PRO CA . 17412 1 987 . 1 1 90 90 PRO CB C 13 31.997 0.400 . 1 . . . A 86 PRO CB . 17412 1 988 . 1 1 90 90 PRO CG C 13 27.549 0.400 . 1 . . . A 86 PRO CG . 17412 1 989 . 1 1 90 90 PRO CD C 13 50.419 0.400 . 1 . . . A 86 PRO CD . 17412 1 990 . 1 1 91 91 THR H H 1 8.519 0.020 . 1 . . . A 87 THR H . 17412 1 991 . 1 1 91 91 THR HA H 1 3.823 0.020 . 1 . . . A 87 THR HA . 17412 1 992 . 1 1 91 91 THR HB H 1 4.224 0.020 . 1 . . . A 87 THR HB . 17412 1 993 . 1 1 91 91 THR HG21 H 1 1.331 0.020 . 1 . . . A 87 THR HG21 . 17412 1 994 . 1 1 91 91 THR HG22 H 1 1.331 0.020 . 1 . . . A 87 THR HG22 . 17412 1 995 . 1 1 91 91 THR HG23 H 1 1.331 0.020 . 1 . . . A 87 THR HG23 . 17412 1 996 . 1 1 91 91 THR C C 13 175.746 0.400 . 1 . . . A 87 THR C . 17412 1 997 . 1 1 91 91 THR CA C 13 64.947 0.400 . 1 . . . A 87 THR CA . 17412 1 998 . 1 1 91 91 THR CB C 13 68.879 0.400 . 1 . . . A 87 THR CB . 17412 1 999 . 1 1 91 91 THR CG2 C 13 22.831 0.400 . 1 . . . A 87 THR CG2 . 17412 1 1000 . 1 1 91 91 THR N N 15 113.155 0.400 . 1 . . . A 87 THR N . 17412 1 1001 . 1 1 92 92 SER H H 1 7.784 0.020 . 1 . . . A 88 SER H . 17412 1 1002 . 1 1 92 92 SER HA H 1 4.418 0.020 . 1 . . . A 88 SER HA . 17412 1 1003 . 1 1 92 92 SER HB2 H 1 4.086 0.020 . 2 . . . A 88 SER HB2 . 17412 1 1004 . 1 1 92 92 SER HB3 H 1 3.901 0.020 . 2 . . . A 88 SER HB3 . 17412 1 1005 . 1 1 92 92 SER C C 13 175.181 0.400 . 1 . . . A 88 SER C . 17412 1 1006 . 1 1 92 92 SER CA C 13 57.936 0.400 . 1 . . . A 88 SER CA . 17412 1 1007 . 1 1 92 92 SER CB C 13 63.717 0.400 . 1 . . . A 88 SER CB . 17412 1 1008 . 1 1 92 92 SER N N 15 111.260 0.400 . 1 . . . A 88 SER N . 17412 1 1009 . 1 1 93 93 ALA H H 1 7.217 0.020 . 1 . . . A 89 ALA H . 17412 1 1010 . 1 1 93 93 ALA HA H 1 4.476 0.020 . 1 . . . A 89 ALA HA . 17412 1 1011 . 1 1 93 93 ALA HB1 H 1 1.483 0.020 . 1 . . . A 89 ALA HB1 . 17412 1 1012 . 1 1 93 93 ALA HB2 H 1 1.483 0.020 . 1 . . . A 89 ALA HB2 . 17412 1 1013 . 1 1 93 93 ALA HB3 H 1 1.483 0.020 . 1 . . . A 89 ALA HB3 . 17412 1 1014 . 1 1 93 93 ALA C C 13 177.094 0.400 . 1 . . . A 89 ALA C . 17412 1 1015 . 1 1 93 93 ALA CA C 13 52.513 0.400 . 1 . . . A 89 ALA CA . 17412 1 1016 . 1 1 93 93 ALA CB C 13 18.891 0.400 . 1 . . . A 89 ALA CB . 17412 1 1017 . 1 1 93 93 ALA N N 15 124.778 0.400 . 1 . . . A 89 ALA N . 17412 1 1018 . 1 1 94 94 THR H H 1 8.297 0.020 . 1 . . . A 90 THR H . 17412 1 1019 . 1 1 94 94 THR HA H 1 4.540 0.020 . 1 . . . A 90 THR HA . 17412 1 1020 . 1 1 94 94 THR HB H 1 4.854 0.020 . 1 . . . A 90 THR HB . 17412 1 1021 . 1 1 94 94 THR HG21 H 1 1.249 0.020 . 1 . . . A 90 THR HG21 . 17412 1 1022 . 1 1 94 94 THR HG22 H 1 1.249 0.020 . 1 . . . A 90 THR HG22 . 17412 1 1023 . 1 1 94 94 THR HG23 H 1 1.249 0.020 . 1 . . . A 90 THR HG23 . 17412 1 1024 . 1 1 94 94 THR C C 13 176.185 0.400 . 1 . . . A 90 THR C . 17412 1 1025 . 1 1 94 94 THR CA C 13 60.380 0.400 . 1 . . . A 90 THR CA . 17412 1 1026 . 1 1 94 94 THR CB C 13 70.445 0.400 . 1 . . . A 90 THR CB . 17412 1 1027 . 1 1 94 94 THR CG2 C 13 22.168 0.400 . 1 . . . A 90 THR CG2 . 17412 1 1028 . 1 1 94 94 THR N N 15 109.010 0.400 . 1 . . . A 90 THR N . 17412 1 1029 . 1 1 95 95 MET H H 1 9.380 0.020 . 1 . . . A 91 MET H . 17412 1 1030 . 1 1 95 95 MET HA H 1 4.362 0.020 . 1 . . . A 91 MET HA . 17412 1 1031 . 1 1 95 95 MET HB2 H 1 1.980 0.020 . 2 . . . A 91 MET HB2 . 17412 1 1032 . 1 1 95 95 MET HB3 H 1 1.385 0.020 . 2 . . . A 91 MET HB3 . 17412 1 1033 . 1 1 95 95 MET HG2 H 1 2.325 0.020 . 2 . . . A 91 MET HG2 . 17412 1 1034 . 1 1 95 95 MET HG3 H 1 2.143 0.020 . 2 . . . A 91 MET HG3 . 17412 1 1035 . 1 1 95 95 MET HE1 H 1 1.052 0.020 . 1 . . . A 91 MET HE1 . 17412 1 1036 . 1 1 95 95 MET HE2 H 1 1.052 0.020 . 1 . . . A 91 MET HE2 . 17412 1 1037 . 1 1 95 95 MET HE3 H 1 1.052 0.020 . 1 . . . A 91 MET HE3 . 17412 1 1038 . 1 1 95 95 MET C C 13 179.571 0.400 . 1 . . . A 91 MET C . 17412 1 1039 . 1 1 95 95 MET CA C 13 55.758 0.400 . 1 . . . A 91 MET CA . 17412 1 1040 . 1 1 95 95 MET CB C 13 28.259 0.400 . 1 . . . A 91 MET CB . 17412 1 1041 . 1 1 95 95 MET CG C 13 31.960 0.400 . 1 . . . A 91 MET CG . 17412 1 1042 . 1 1 95 95 MET CE C 13 14.946 0.400 . 1 . . . A 91 MET CE . 17412 1 1043 . 1 1 95 95 MET N N 15 119.935 0.400 . 1 . . . A 91 MET N . 17412 1 1044 . 1 1 96 96 GLY H H 1 9.395 0.020 . 1 . . . A 92 GLY H . 17412 1 1045 . 1 1 96 96 GLY HA2 H 1 4.036 0.020 . 2 . . . A 92 GLY HA2 . 17412 1 1046 . 1 1 96 96 GLY HA3 H 1 3.691 0.020 . 2 . . . A 92 GLY HA3 . 17412 1 1047 . 1 1 96 96 GLY C C 13 176.109 0.400 . 1 . . . A 92 GLY C . 17412 1 1048 . 1 1 96 96 GLY CA C 13 47.278 0.400 . 1 . . . A 92 GLY CA . 17412 1 1049 . 1 1 96 96 GLY N N 15 107.890 0.400 . 1 . . . A 92 GLY N . 17412 1 1050 . 1 1 97 97 GLN H H 1 7.943 0.020 . 1 . . . A 93 GLN H . 17412 1 1051 . 1 1 97 97 GLN HA H 1 4.098 0.020 . 1 . . . A 93 GLN HA . 17412 1 1052 . 1 1 97 97 GLN HB2 H 1 2.250 0.020 . 2 . . . A 93 GLN HB2 . 17412 1 1053 . 1 1 97 97 GLN HB3 H 1 2.143 0.020 . 2 . . . A 93 GLN HB3 . 17412 1 1054 . 1 1 97 97 GLN HG2 H 1 2.447 0.020 . 2 . . . A 93 GLN HG2 . 17412 1 1055 . 1 1 97 97 GLN HG3 H 1 2.447 0.020 . 2 . . . A 93 GLN HG3 . 17412 1 1056 . 1 1 97 97 GLN HE21 H 1 7.840 0.020 . 2 . . . A 93 GLN HE21 . 17412 1 1057 . 1 1 97 97 GLN HE22 H 1 6.880 0.020 . 2 . . . A 93 GLN HE22 . 17412 1 1058 . 1 1 97 97 GLN C C 13 178.288 0.400 . 1 . . . A 93 GLN C . 17412 1 1059 . 1 1 97 97 GLN CA C 13 58.690 0.400 . 1 . . . A 93 GLN CA . 17412 1 1060 . 1 1 97 97 GLN CB C 13 28.437 0.400 . 1 . . . A 93 GLN CB . 17412 1 1061 . 1 1 97 97 GLN CG C 13 33.746 0.400 . 1 . . . A 93 GLN CG . 17412 1 1062 . 1 1 97 97 GLN N N 15 124.585 0.400 . 1 . . . A 93 GLN N . 17412 1 1063 . 1 1 98 98 LEU H H 1 8.460 0.020 . 1 . . . A 94 LEU H . 17412 1 1064 . 1 1 98 98 LEU HA H 1 4.112 0.020 . 1 . . . A 94 LEU HA . 17412 1 1065 . 1 1 98 98 LEU HB2 H 1 1.717 0.020 . 2 . . . A 94 LEU HB2 . 17412 1 1066 . 1 1 98 98 LEU HB3 H 1 1.673 0.020 . 2 . . . A 94 LEU HB3 . 17412 1 1067 . 1 1 98 98 LEU HG H 1 1.662 0.020 . 1 . . . A 94 LEU HG . 17412 1 1068 . 1 1 98 98 LEU HD11 H 1 0.896 0.020 . 2 . . . A 94 LEU HD11 . 17412 1 1069 . 1 1 98 98 LEU HD12 H 1 0.896 0.020 . 2 . . . A 94 LEU HD12 . 17412 1 1070 . 1 1 98 98 LEU HD13 H 1 0.896 0.020 . 2 . . . A 94 LEU HD13 . 17412 1 1071 . 1 1 98 98 LEU HD21 H 1 0.896 0.020 . 2 . . . A 94 LEU HD21 . 17412 1 1072 . 1 1 98 98 LEU HD22 H 1 0.896 0.020 . 2 . . . A 94 LEU HD22 . 17412 1 1073 . 1 1 98 98 LEU HD23 H 1 0.896 0.020 . 2 . . . A 94 LEU HD23 . 17412 1 1074 . 1 1 98 98 LEU C C 13 180.513 0.400 . 1 . . . A 94 LEU C . 17412 1 1075 . 1 1 98 98 LEU CA C 13 57.809 0.400 . 1 . . . A 94 LEU CA . 17412 1 1076 . 1 1 98 98 LEU CB C 13 42.733 0.400 . 1 . . . A 94 LEU CB . 17412 1 1077 . 1 1 98 98 LEU CG C 13 26.686 0.400 . 1 . . . A 94 LEU CG . 17412 1 1078 . 1 1 98 98 LEU CD1 C 13 25.020 0.400 . 2 . . . A 94 LEU CD1 . 17412 1 1079 . 1 1 98 98 LEU CD2 C 13 25.020 0.400 . 2 . . . A 94 LEU CD2 . 17412 1 1080 . 1 1 98 98 LEU N N 15 119.681 0.400 . 1 . . . A 94 LEU N . 17412 1 1081 . 1 1 99 99 TYR H H 1 8.984 0.020 . 1 . . . A 95 TYR H . 17412 1 1082 . 1 1 99 99 TYR HA H 1 3.895 0.020 . 1 . . . A 95 TYR HA . 17412 1 1083 . 1 1 99 99 TYR HB2 H 1 3.400 0.020 . 2 . . . A 95 TYR HB2 . 17412 1 1084 . 1 1 99 99 TYR HB3 H 1 2.995 0.020 . 2 . . . A 95 TYR HB3 . 17412 1 1085 . 1 1 99 99 TYR HD1 H 1 6.995 0.020 . 3 . . . A 95 TYR HD1 . 17412 1 1086 . 1 1 99 99 TYR HD2 H 1 6.995 0.020 . 3 . . . A 95 TYR HD2 . 17412 1 1087 . 1 1 99 99 TYR C C 13 177.733 0.400 . 1 . . . A 95 TYR C . 17412 1 1088 . 1 1 99 99 TYR CA C 13 63.050 0.400 . 1 . . . A 95 TYR CA . 17412 1 1089 . 1 1 99 99 TYR CB C 13 39.611 0.400 . 1 . . . A 95 TYR CB . 17412 1 1090 . 1 1 99 99 TYR N N 15 118.980 0.400 . 1 . . . A 95 TYR N . 17412 1 1091 . 1 1 100 100 GLU H H 1 8.580 0.020 . 1 . . . A 96 GLU H . 17412 1 1092 . 1 1 100 100 GLU HA H 1 4.082 0.020 . 1 . . . A 96 GLU HA . 17412 1 1093 . 1 1 100 100 GLU HB2 H 1 2.269 0.020 . 2 . . . A 96 GLU HB2 . 17412 1 1094 . 1 1 100 100 GLU HB3 H 1 2.203 0.020 . 2 . . . A 96 GLU HB3 . 17412 1 1095 . 1 1 100 100 GLU HG2 H 1 2.477 0.020 . 2 . . . A 96 GLU HG2 . 17412 1 1096 . 1 1 100 100 GLU HG3 H 1 2.477 0.020 . 2 . . . A 96 GLU HG3 . 17412 1 1097 . 1 1 100 100 GLU C C 13 178.172 0.400 . 1 . . . A 96 GLU C . 17412 1 1098 . 1 1 100 100 GLU CA C 13 60.189 0.400 . 1 . . . A 96 GLU CA . 17412 1 1099 . 1 1 100 100 GLU CB C 13 29.363 0.400 . 1 . . . A 96 GLU CB . 17412 1 1100 . 1 1 100 100 GLU CG C 13 35.952 0.400 . 1 . . . A 96 GLU CG . 17412 1 1101 . 1 1 100 100 GLU N N 15 122.219 0.400 . 1 . . . A 96 GLU N . 17412 1 1102 . 1 1 101 101 ASP H H 1 7.721 0.020 . 1 . . . A 97 ASP H . 17412 1 1103 . 1 1 101 101 ASP HA H 1 4.654 0.020 . 1 . . . A 97 ASP HA . 17412 1 1104 . 1 1 101 101 ASP HB2 H 1 2.696 0.020 . 2 . . . A 97 ASP HB2 . 17412 1 1105 . 1 1 101 101 ASP HB3 H 1 2.571 0.020 . 2 . . . A 97 ASP HB3 . 17412 1 1106 . 1 1 101 101 ASP C C 13 177.736 0.400 . 1 . . . A 97 ASP C . 17412 1 1107 . 1 1 101 101 ASP CA C 13 55.804 0.400 . 1 . . . A 97 ASP CA . 17412 1 1108 . 1 1 101 101 ASP CB C 13 42.379 0.400 . 1 . . . A 97 ASP CB . 17412 1 1109 . 1 1 101 101 ASP N N 15 113.359 0.400 . 1 . . . A 97 ASP N . 17412 1 1110 . 1 1 102 102 ASN H H 1 7.700 0.020 . 1 . . . A 98 ASN H . 17412 1 1111 . 1 1 102 102 ASN HA H 1 4.949 0.020 . 1 . . . A 98 ASN HA . 17412 1 1112 . 1 1 102 102 ASN HB2 H 1 2.530 0.020 . 2 . . . A 98 ASN HB2 . 17412 1 1113 . 1 1 102 102 ASN HB3 H 1 2.530 0.020 . 2 . . . A 98 ASN HB3 . 17412 1 1114 . 1 1 102 102 ASN HD21 H 1 8.080 0.020 . 2 . . . A 98 ASN HD21 . 17412 1 1115 . 1 1 102 102 ASN C C 13 175.705 0.400 . 1 . . . A 98 ASN C . 17412 1 1116 . 1 1 102 102 ASN CA C 13 53.454 0.400 . 1 . . . A 98 ASN CA . 17412 1 1117 . 1 1 102 102 ASN CB C 13 42.579 0.400 . 1 . . . A 98 ASN CB . 17412 1 1118 . 1 1 102 102 ASN N N 15 112.519 0.400 . 1 . . . A 98 ASN N . 17412 1 1119 . 1 1 103 103 HIS H H 1 8.590 0.020 . 1 . . . A 99 HIS H . 17412 1 1120 . 1 1 103 103 HIS HA H 1 4.267 0.020 . 1 . . . A 99 HIS HA . 17412 1 1121 . 1 1 103 103 HIS HB2 H 1 2.291 0.020 . 2 . . . A 99 HIS HB2 . 17412 1 1122 . 1 1 103 103 HIS HB3 H 1 1.975 0.020 . 2 . . . A 99 HIS HB3 . 17412 1 1123 . 1 1 103 103 HIS HD2 H 1 6.876 0.020 . 1 . . . A 99 HIS HD2 . 17412 1 1124 . 1 1 103 103 HIS C C 13 174.371 0.400 . 1 . . . A 99 HIS C . 17412 1 1125 . 1 1 103 103 HIS CA C 13 57.130 0.400 . 1 . . . A 99 HIS CA . 17412 1 1126 . 1 1 103 103 HIS CB C 13 26.738 0.400 . 1 . . . A 99 HIS CB . 17412 1 1127 . 1 1 103 103 HIS CD2 C 13 126.443 0.400 . 1 . . . A 99 HIS CD2 . 17412 1 1128 . 1 1 103 103 HIS N N 15 120.401 0.400 . 1 . . . A 99 HIS N . 17412 1 1129 . 1 1 104 104 GLU H H 1 8.805 0.020 . 1 . . . A 100 GLU H . 17412 1 1130 . 1 1 104 104 GLU HA H 1 4.635 0.020 . 1 . . . A 100 GLU HA . 17412 1 1131 . 1 1 104 104 GLU HB2 H 1 2.745 0.020 . 2 . . . A 100 GLU HB2 . 17412 1 1132 . 1 1 104 104 GLU HB3 H 1 2.745 0.020 . 2 . . . A 100 GLU HB3 . 17412 1 1133 . 1 1 104 104 GLU HG2 H 1 3.091 0.020 . 2 . . . A 100 GLU HG2 . 17412 1 1134 . 1 1 104 104 GLU HG3 H 1 2.442 0.020 . 2 . . . A 100 GLU HG3 . 17412 1 1135 . 1 1 104 104 GLU C C 13 179.491 0.400 . 1 . . . A 100 GLU C . 17412 1 1136 . 1 1 104 104 GLU CA C 13 56.784 0.400 . 1 . . . A 100 GLU CA . 17412 1 1137 . 1 1 104 104 GLU CB C 13 30.801 0.400 . 1 . . . A 100 GLU CB . 17412 1 1138 . 1 1 104 104 GLU CG C 13 37.827 0.400 . 1 . . . A 100 GLU CG . 17412 1 1139 . 1 1 104 104 GLU N N 15 120.810 0.400 . 1 . . . A 100 GLU N . 17412 1 1140 . 1 1 105 105 GLU H H 1 7.270 0.020 . 1 . . . A 101 GLU H . 17412 1 1141 . 1 1 105 105 GLU HA H 1 4.080 0.020 . 1 . . . A 101 GLU HA . 17412 1 1142 . 1 1 105 105 GLU HB2 H 1 2.405 0.020 . 2 . . . A 101 GLU HB2 . 17412 1 1143 . 1 1 105 105 GLU HB3 H 1 2.212 0.020 . 2 . . . A 101 GLU HB3 . 17412 1 1144 . 1 1 105 105 GLU HG2 H 1 2.449 0.020 . 2 . . . A 101 GLU HG2 . 17412 1 1145 . 1 1 105 105 GLU HG3 H 1 2.449 0.020 . 2 . . . A 101 GLU HG3 . 17412 1 1146 . 1 1 105 105 GLU CA C 13 59.250 0.400 . 1 . . . A 101 GLU CA . 17412 1 1147 . 1 1 105 105 GLU CB C 13 29.421 0.400 . 1 . . . A 101 GLU CB . 17412 1 1148 . 1 1 105 105 GLU CG C 13 37.420 0.400 . 1 . . . A 101 GLU CG . 17412 1 1149 . 1 1 106 106 ASP H H 1 7.775 0.020 . 1 . . . A 102 ASP H . 17412 1 1150 . 1 1 106 106 ASP HA H 1 4.095 0.020 . 1 . . . A 102 ASP HA . 17412 1 1151 . 1 1 106 106 ASP HB2 H 1 3.122 0.020 . 2 . . . A 102 ASP HB2 . 17412 1 1152 . 1 1 106 106 ASP HB3 H 1 2.412 0.020 . 2 . . . A 102 ASP HB3 . 17412 1 1153 . 1 1 106 106 ASP C C 13 173.656 0.400 . 1 . . . A 102 ASP C . 17412 1 1154 . 1 1 106 106 ASP CA C 13 53.307 0.400 . 1 . . . A 102 ASP CA . 17412 1 1155 . 1 1 106 106 ASP CB C 13 40.736 0.400 . 1 . . . A 102 ASP CB . 17412 1 1156 . 1 1 106 106 ASP N N 15 114.446 0.400 . 1 . . . A 102 ASP N . 17412 1 1157 . 1 1 107 107 TYR H H 1 7.820 0.020 . 1 . . . A 103 TYR H . 17412 1 1158 . 1 1 107 107 TYR HA H 1 3.457 0.020 . 1 . . . A 103 TYR HA . 17412 1 1159 . 1 1 107 107 TYR HB2 H 1 3.342 0.020 . 2 . . . A 103 TYR HB2 . 17412 1 1160 . 1 1 107 107 TYR HB3 H 1 2.804 0.020 . 2 . . . A 103 TYR HB3 . 17412 1 1161 . 1 1 107 107 TYR HD1 H 1 6.916 0.020 . 3 . . . A 103 TYR HD1 . 17412 1 1162 . 1 1 107 107 TYR HD2 H 1 6.916 0.020 . 3 . . . A 103 TYR HD2 . 17412 1 1163 . 1 1 107 107 TYR HE1 H 1 6.808 0.020 . 3 . . . A 103 TYR HE1 . 17412 1 1164 . 1 1 107 107 TYR HE2 H 1 6.808 0.020 . 3 . . . A 103 TYR HE2 . 17412 1 1165 . 1 1 107 107 TYR C C 13 175.426 0.400 . 1 . . . A 103 TYR C . 17412 1 1166 . 1 1 107 107 TYR CA C 13 61.488 0.400 . 1 . . . A 103 TYR CA . 17412 1 1167 . 1 1 107 107 TYR CB C 13 34.035 0.400 . 1 . . . A 103 TYR CB . 17412 1 1168 . 1 1 107 107 TYR CD1 C 13 132.388 0.400 . 3 . . . A 103 TYR CD1 . 17412 1 1169 . 1 1 107 107 TYR CE1 C 13 118.261 0.400 . 3 . . . A 103 TYR CE1 . 17412 1 1170 . 1 1 107 107 TYR N N 15 102.492 0.400 . 1 . . . A 103 TYR N . 17412 1 1171 . 1 1 108 108 PHE H H 1 8.660 0.020 . 1 . . . A 104 PHE H . 17412 1 1172 . 1 1 108 108 PHE HA H 1 4.773 0.020 . 1 . . . A 104 PHE HA . 17412 1 1173 . 1 1 108 108 PHE HB2 H 1 3.119 0.020 . 2 . . . A 104 PHE HB2 . 17412 1 1174 . 1 1 108 108 PHE HB3 H 1 2.030 0.020 . 2 . . . A 104 PHE HB3 . 17412 1 1175 . 1 1 108 108 PHE HD1 H 1 6.902 0.020 . 3 . . . A 104 PHE HD1 . 17412 1 1176 . 1 1 108 108 PHE HD2 H 1 6.902 0.020 . 3 . . . A 104 PHE HD2 . 17412 1 1177 . 1 1 108 108 PHE CA C 13 59.725 0.400 . 1 . . . A 104 PHE CA . 17412 1 1178 . 1 1 108 108 PHE CB C 13 40.930 0.400 . 1 . . . A 104 PHE CB . 17412 1 1179 . 1 1 108 108 PHE N N 15 119.000 0.400 . 1 . . . A 104 PHE N . 17412 1 1180 . 1 1 109 109 LEU H H 1 7.705 0.020 . 1 . . . A 105 LEU H . 17412 1 1181 . 1 1 109 109 LEU HA H 1 4.710 0.020 . 1 . . . A 105 LEU HA . 17412 1 1182 . 1 1 109 109 LEU HB2 H 1 2.123 0.020 . 2 . . . A 105 LEU HB2 . 17412 1 1183 . 1 1 109 109 LEU HB3 H 1 1.422 0.020 . 2 . . . A 105 LEU HB3 . 17412 1 1184 . 1 1 109 109 LEU HG H 1 0.726 0.020 . 1 . . . A 105 LEU HG . 17412 1 1185 . 1 1 109 109 LEU HD11 H 1 0.907 0.020 . 2 . . . A 105 LEU HD11 . 17412 1 1186 . 1 1 109 109 LEU HD12 H 1 0.907 0.020 . 2 . . . A 105 LEU HD12 . 17412 1 1187 . 1 1 109 109 LEU HD13 H 1 0.907 0.020 . 2 . . . A 105 LEU HD13 . 17412 1 1188 . 1 1 109 109 LEU HD21 H 1 0.866 0.020 . 2 . . . A 105 LEU HD21 . 17412 1 1189 . 1 1 109 109 LEU HD22 H 1 0.866 0.020 . 2 . . . A 105 LEU HD22 . 17412 1 1190 . 1 1 109 109 LEU HD23 H 1 0.866 0.020 . 2 . . . A 105 LEU HD23 . 17412 1 1191 . 1 1 109 109 LEU C C 13 173.039 0.400 . 1 . . . A 105 LEU C . 17412 1 1192 . 1 1 109 109 LEU CA C 13 53.208 0.400 . 1 . . . A 105 LEU CA . 17412 1 1193 . 1 1 109 109 LEU CB C 13 45.895 0.400 . 1 . . . A 105 LEU CB . 17412 1 1194 . 1 1 109 109 LEU CG C 13 26.258 0.400 . 1 . . . A 105 LEU CG . 17412 1 1195 . 1 1 109 109 LEU CD1 C 13 25.014 0.400 . 2 . . . A 105 LEU CD1 . 17412 1 1196 . 1 1 109 109 LEU CD2 C 13 25.000 0.400 . 2 . . . A 105 LEU CD2 . 17412 1 1197 . 1 1 109 109 LEU N N 15 121.191 0.400 . 1 . . . A 105 LEU N . 17412 1 1198 . 1 1 110 110 TYR H H 1 8.888 0.020 . 1 . . . A 106 TYR H . 17412 1 1199 . 1 1 110 110 TYR HA H 1 4.656 0.020 . 1 . . . A 106 TYR HA . 17412 1 1200 . 1 1 110 110 TYR HB2 H 1 2.220 0.020 . 2 . . . A 106 TYR HB2 . 17412 1 1201 . 1 1 110 110 TYR HB3 H 1 2.220 0.020 . 2 . . . A 106 TYR HB3 . 17412 1 1202 . 1 1 110 110 TYR HD1 H 1 6.446 0.020 . 3 . . . A 106 TYR HD1 . 17412 1 1203 . 1 1 110 110 TYR HD2 H 1 6.446 0.020 . 3 . . . A 106 TYR HD2 . 17412 1 1204 . 1 1 110 110 TYR HE1 H 1 6.950 0.020 . 3 . . . A 106 TYR HE1 . 17412 1 1205 . 1 1 110 110 TYR HE2 H 1 6.950 0.020 . 3 . . . A 106 TYR HE2 . 17412 1 1206 . 1 1 110 110 TYR C C 13 175.077 0.400 . 1 . . . A 106 TYR C . 17412 1 1207 . 1 1 110 110 TYR CA C 13 58.154 0.400 . 1 . . . A 106 TYR CA . 17412 1 1208 . 1 1 110 110 TYR CB C 13 38.453 0.400 . 1 . . . A 106 TYR CB . 17412 1 1209 . 1 1 110 110 TYR CD2 C 13 132.586 0.400 . 3 . . . A 106 TYR CD2 . 17412 1 1210 . 1 1 110 110 TYR CE2 C 13 117.757 0.400 . 3 . . . A 106 TYR CE2 . 17412 1 1211 . 1 1 110 110 TYR N N 15 126.990 0.400 . 1 . . . A 106 TYR N . 17412 1 1212 . 1 1 111 111 VAL H H 1 9.471 0.020 . 1 . . . A 107 VAL H . 17412 1 1213 . 1 1 111 111 VAL HA H 1 4.709 0.020 . 1 . . . A 107 VAL HA . 17412 1 1214 . 1 1 111 111 VAL HB H 1 1.934 0.020 . 1 . . . A 107 VAL HB . 17412 1 1215 . 1 1 111 111 VAL HG11 H 1 0.572 0.020 . 2 . . . A 107 VAL HG11 . 17412 1 1216 . 1 1 111 111 VAL HG12 H 1 0.572 0.020 . 2 . . . A 107 VAL HG12 . 17412 1 1217 . 1 1 111 111 VAL HG13 H 1 0.572 0.020 . 2 . . . A 107 VAL HG13 . 17412 1 1218 . 1 1 111 111 VAL HG21 H 1 0.460 0.020 . 2 . . . A 107 VAL HG21 . 17412 1 1219 . 1 1 111 111 VAL HG22 H 1 0.460 0.020 . 2 . . . A 107 VAL HG22 . 17412 1 1220 . 1 1 111 111 VAL HG23 H 1 0.460 0.020 . 2 . . . A 107 VAL HG23 . 17412 1 1221 . 1 1 111 111 VAL C C 13 174.336 0.400 . 1 . . . A 107 VAL C . 17412 1 1222 . 1 1 111 111 VAL CA C 13 60.964 0.400 . 1 . . . A 107 VAL CA . 17412 1 1223 . 1 1 111 111 VAL CB C 13 34.999 0.400 . 1 . . . A 107 VAL CB . 17412 1 1224 . 1 1 111 111 VAL CG1 C 13 20.920 0.400 . 2 . . . A 107 VAL CG1 . 17412 1 1225 . 1 1 111 111 VAL CG2 C 13 20.943 0.400 . 2 . . . A 107 VAL CG2 . 17412 1 1226 . 1 1 111 111 VAL N N 15 125.077 0.400 . 1 . . . A 107 VAL N . 17412 1 1227 . 1 1 112 112 ALA H H 1 8.925 0.020 . 1 . . . A 108 ALA H . 17412 1 1228 . 1 1 112 112 ALA HA H 1 6.301 0.020 . 1 . . . A 108 ALA HA . 17412 1 1229 . 1 1 112 112 ALA HB1 H 1 1.184 0.020 . 1 . . . A 108 ALA HB1 . 17412 1 1230 . 1 1 112 112 ALA HB2 H 1 1.184 0.020 . 1 . . . A 108 ALA HB2 . 17412 1 1231 . 1 1 112 112 ALA HB3 H 1 1.184 0.020 . 1 . . . A 108 ALA HB3 . 17412 1 1232 . 1 1 112 112 ALA C C 13 177.898 0.400 . 1 . . . A 108 ALA C . 17412 1 1233 . 1 1 112 112 ALA CA C 13 49.060 0.400 . 1 . . . A 108 ALA CA . 17412 1 1234 . 1 1 112 112 ALA CB C 13 21.869 0.400 . 1 . . . A 108 ALA CB . 17412 1 1235 . 1 1 112 112 ALA N N 15 128.400 0.400 . 1 . . . A 108 ALA N . 17412 1 1236 . 1 1 113 113 TYR H H 1 8.291 0.020 . 1 . . . A 109 TYR H . 17412 1 1237 . 1 1 113 113 TYR HA H 1 6.570 0.020 . 1 . . . A 109 TYR HA . 17412 1 1238 . 1 1 113 113 TYR HB2 H 1 3.067 0.020 . 2 . . . A 109 TYR HB2 . 17412 1 1239 . 1 1 113 113 TYR HB3 H 1 2.799 0.020 . 2 . . . A 109 TYR HB3 . 17412 1 1240 . 1 1 113 113 TYR HD1 H 1 6.681 0.020 . 3 . . . A 109 TYR HD1 . 17412 1 1241 . 1 1 113 113 TYR HD2 H 1 6.681 0.020 . 3 . . . A 109 TYR HD2 . 17412 1 1242 . 1 1 113 113 TYR HE1 H 1 6.572 0.020 . 3 . . . A 109 TYR HE1 . 17412 1 1243 . 1 1 113 113 TYR HE2 H 1 6.572 0.020 . 3 . . . A 109 TYR HE2 . 17412 1 1244 . 1 1 113 113 TYR C C 13 173.828 0.400 . 1 . . . A 109 TYR C . 17412 1 1245 . 1 1 113 113 TYR CA C 13 55.136 0.400 . 1 . . . A 109 TYR CA . 17412 1 1246 . 1 1 113 113 TYR CB C 13 42.550 0.400 . 1 . . . A 109 TYR CB . 17412 1 1247 . 1 1 113 113 TYR CD2 C 13 132.926 0.400 . 3 . . . A 109 TYR CD2 . 17412 1 1248 . 1 1 113 113 TYR CE2 C 13 117.294 0.400 . 3 . . . A 109 TYR CE2 . 17412 1 1249 . 1 1 113 113 TYR N N 15 114.884 0.400 . 1 . . . A 109 TYR N . 17412 1 1250 . 1 1 114 114 SER H H 1 9.215 0.020 . 1 . . . A 110 SER H . 17412 1 1251 . 1 1 114 114 SER HA H 1 4.670 0.020 . 1 . . . A 110 SER HA . 17412 1 1252 . 1 1 114 114 SER HB2 H 1 4.237 0.020 . 2 . . . A 110 SER HB2 . 17412 1 1253 . 1 1 114 114 SER HB3 H 1 3.920 0.020 . 2 . . . A 110 SER HB3 . 17412 1 1254 . 1 1 114 114 SER C C 13 172.603 0.400 . 1 . . . A 110 SER C . 17412 1 1255 . 1 1 114 114 SER CA C 13 55.760 0.400 . 1 . . . A 110 SER CA . 17412 1 1256 . 1 1 114 114 SER CB C 13 65.203 0.400 . 1 . . . A 110 SER CB . 17412 1 1257 . 1 1 114 114 SER N N 15 111.800 0.400 . 1 . . . A 110 SER N . 17412 1 1258 . 1 1 115 115 ASP H H 1 9.425 0.020 . 1 . . . A 111 ASP H . 17412 1 1259 . 1 1 115 115 ASP HA H 1 4.782 0.020 . 1 . . . A 111 ASP HA . 17412 1 1260 . 1 1 115 115 ASP HB2 H 1 3.080 0.020 . 2 . . . A 111 ASP HB2 . 17412 1 1261 . 1 1 115 115 ASP HB3 H 1 2.677 0.020 . 2 . . . A 111 ASP HB3 . 17412 1 1262 . 1 1 115 115 ASP C C 13 174.694 0.400 . 1 . . . A 111 ASP C . 17412 1 1263 . 1 1 115 115 ASP CA C 13 54.202 0.400 . 1 . . . A 111 ASP CA . 17412 1 1264 . 1 1 115 115 ASP CB C 13 40.664 0.400 . 1 . . . A 111 ASP CB . 17412 1 1265 . 1 1 115 115 ASP N N 15 120.931 0.400 . 1 . . . A 111 ASP N . 17412 1 1266 . 1 1 116 116 GLU H H 1 8.439 0.020 . 1 . . . A 112 GLU H . 17412 1 1267 . 1 1 116 116 GLU HA H 1 4.644 0.020 . 1 . . . A 112 GLU HA . 17412 1 1268 . 1 1 116 116 GLU HB2 H 1 2.049 0.020 . 2 . . . A 112 GLU HB2 . 17412 1 1269 . 1 1 116 116 GLU HB3 H 1 1.870 0.020 . 2 . . . A 112 GLU HB3 . 17412 1 1270 . 1 1 116 116 GLU HG2 H 1 2.263 0.020 . 2 . . . A 112 GLU HG2 . 17412 1 1271 . 1 1 116 116 GLU HG3 H 1 2.191 0.020 . 2 . . . A 112 GLU HG3 . 17412 1 1272 . 1 1 116 116 GLU C C 13 174.851 0.400 . 1 . . . A 112 GLU C . 17412 1 1273 . 1 1 116 116 GLU CA C 13 55.228 0.400 . 1 . . . A 112 GLU CA . 17412 1 1274 . 1 1 116 116 GLU CB C 13 33.223 0.400 . 1 . . . A 112 GLU CB . 17412 1 1275 . 1 1 116 116 GLU CG C 13 36.256 0.400 . 1 . . . A 112 GLU CG . 17412 1 1276 . 1 1 116 116 GLU N N 15 118.982 0.400 . 1 . . . A 112 GLU N . 17412 1 1277 . 1 1 117 117 SER H H 1 8.028 0.020 . 1 . . . A 113 SER H . 17412 1 1278 . 1 1 117 117 SER HA H 1 3.727 0.020 . 1 . . . A 113 SER HA . 17412 1 1279 . 1 1 117 117 SER HB2 H 1 3.391 0.020 . 2 . . . A 113 SER HB2 . 17412 1 1280 . 1 1 117 117 SER HB3 H 1 2.384 0.020 . 2 . . . A 113 SER HB3 . 17412 1 1281 . 1 1 117 117 SER C C 13 173.677 0.400 . 1 . . . A 113 SER C . 17412 1 1282 . 1 1 117 117 SER CA C 13 57.985 0.400 . 1 . . . A 113 SER CA . 17412 1 1283 . 1 1 117 117 SER CB C 13 62.994 0.400 . 1 . . . A 113 SER CB . 17412 1 1284 . 1 1 117 117 SER N N 15 113.014 0.400 . 1 . . . A 113 SER N . 17412 1 1285 . 1 1 118 118 VAL H H 1 7.195 0.020 . 1 . . . A 114 VAL H . 17412 1 1286 . 1 1 118 118 VAL HA H 1 4.136 0.020 . 1 . . . A 114 VAL HA . 17412 1 1287 . 1 1 118 118 VAL HB H 1 1.871 0.020 . 1 . . . A 114 VAL HB . 17412 1 1288 . 1 1 118 118 VAL HG11 H 1 0.752 0.020 . 2 . . . A 114 VAL HG11 . 17412 1 1289 . 1 1 118 118 VAL HG12 H 1 0.752 0.020 . 2 . . . A 114 VAL HG12 . 17412 1 1290 . 1 1 118 118 VAL HG13 H 1 0.752 0.020 . 2 . . . A 114 VAL HG13 . 17412 1 1291 . 1 1 118 118 VAL HG21 H 1 0.710 0.020 . 2 . . . A 114 VAL HG21 . 17412 1 1292 . 1 1 118 118 VAL HG22 H 1 0.710 0.020 . 2 . . . A 114 VAL HG22 . 17412 1 1293 . 1 1 118 118 VAL HG23 H 1 0.710 0.020 . 2 . . . A 114 VAL HG23 . 17412 1 1294 . 1 1 118 118 VAL C C 13 173.923 0.400 . 1 . . . A 114 VAL C . 17412 1 1295 . 1 1 118 118 VAL CA C 13 61.513 0.400 . 1 . . . A 114 VAL CA . 17412 1 1296 . 1 1 118 118 VAL CB C 13 33.845 0.400 . 1 . . . A 114 VAL CB . 17412 1 1297 . 1 1 118 118 VAL CG1 C 13 21.076 0.400 . 2 . . . A 114 VAL CG1 . 17412 1 1298 . 1 1 118 118 VAL CG2 C 13 20.098 0.400 . 2 . . . A 114 VAL CG2 . 17412 1 1299 . 1 1 118 118 VAL N N 15 119.245 0.400 . 1 . . . A 114 VAL N . 17412 1 1300 . 1 1 119 119 TYR H H 1 7.604 0.020 . 1 . . . A 115 TYR H . 17412 1 1301 . 1 1 119 119 TYR HA H 1 4.109 0.020 . 1 . . . A 115 TYR HA . 17412 1 1302 . 1 1 119 119 TYR HB2 H 1 2.643 0.020 . 2 . . . A 115 TYR HB2 . 17412 1 1303 . 1 1 119 119 TYR HB3 H 1 2.479 0.020 . 2 . . . A 115 TYR HB3 . 17412 1 1304 . 1 1 119 119 TYR HD1 H 1 6.673 0.020 . 3 . . . A 115 TYR HD1 . 17412 1 1305 . 1 1 119 119 TYR HD2 H 1 6.673 0.020 . 3 . . . A 115 TYR HD2 . 17412 1 1306 . 1 1 119 119 TYR HE1 H 1 6.546 0.020 . 3 . . . A 115 TYR HE1 . 17412 1 1307 . 1 1 119 119 TYR HE2 H 1 6.546 0.020 . 3 . . . A 115 TYR HE2 . 17412 1 1308 . 1 1 119 119 TYR C C 13 180.066 0.400 . 1 . . . A 115 TYR C . 17412 1 1309 . 1 1 119 119 TYR CA C 13 59.235 0.400 . 1 . . . A 115 TYR CA . 17412 1 1310 . 1 1 119 119 TYR CB C 13 39.659 0.400 . 1 . . . A 115 TYR CB . 17412 1 1311 . 1 1 119 119 TYR CD1 C 13 132.960 0.400 . 3 . . . A 115 TYR CD1 . 17412 1 1312 . 1 1 119 119 TYR CE1 C 13 117.825 0.400 . 3 . . . A 115 TYR CE1 . 17412 1 1313 . 1 1 119 119 TYR N N 15 128.921 0.400 . 1 . . . A 115 TYR N . 17412 1 1314 . 2 2 1 1 GLY HA2 H 1 3.865 0.020 . 2 . . . B 722 GLY HA2 . 17412 1 1315 . 2 2 1 1 GLY HA3 H 1 3.865 0.020 . 2 . . . B 722 GLY HA3 . 17412 1 1316 . 2 2 1 1 GLY H H 1 8.151 0.020 . 1 . . . B 722 GLY H1 . 17412 1 1317 . 2 2 1 1 GLY CA C 13 43.380 0.400 . 1 . . . B 722 GLY CA . 17412 1 1318 . 2 2 1 1 GLY N N 15 110.746 0.400 . 1 . . . B 722 GLY N . 17412 1 1319 . 2 2 2 2 ALA H H 1 8.480 0.020 . 1 . . . B 723 ALA H . 17412 1 1320 . 2 2 2 2 ALA HA H 1 4.360 0.020 . 1 . . . B 723 ALA HA . 17412 1 1321 . 2 2 2 2 ALA HB1 H 1 1.420 0.020 . 1 . . . B 723 ALA HB1 . 17412 1 1322 . 2 2 2 2 ALA HB2 H 1 1.420 0.020 . 1 . . . B 723 ALA HB2 . 17412 1 1323 . 2 2 2 2 ALA HB3 H 1 1.420 0.020 . 1 . . . B 723 ALA HB3 . 17412 1 1324 . 2 2 2 2 ALA CA C 13 52.630 0.400 . 1 . . . B 723 ALA CA . 17412 1 1325 . 2 2 2 2 ALA CB C 13 19.370 0.400 . 1 . . . B 723 ALA CB . 17412 1 1326 . 2 2 2 2 ALA N N 15 123.780 0.400 . 1 . . . B 723 ALA N . 17412 1 1327 . 2 2 3 3 MET H H 1 8.582 0.020 . 1 . . . B 724 MET H . 17412 1 1328 . 2 2 3 3 MET HA H 1 4.500 0.020 . 1 . . . B 724 MET HA . 17412 1 1329 . 2 2 3 3 MET HB2 H 1 2.122 0.020 . 2 . . . B 724 MET HB2 . 17412 1 1330 . 2 2 3 3 MET HB3 H 1 2.048 0.020 . 2 . . . B 724 MET HB3 . 17412 1 1331 . 2 2 3 3 MET HG2 H 1 2.644 0.020 . 2 . . . B 724 MET HG2 . 17412 1 1332 . 2 2 3 3 MET HG3 H 1 2.571 0.020 . 2 . . . B 724 MET HG3 . 17412 1 1333 . 2 2 3 3 MET HE1 H 1 2.100 0.020 . 1 . . . B 724 MET HE1 . 17412 1 1334 . 2 2 3 3 MET HE2 H 1 2.100 0.020 . 1 . . . B 724 MET HE2 . 17412 1 1335 . 2 2 3 3 MET HE3 H 1 2.100 0.020 . 1 . . . B 724 MET HE3 . 17412 1 1336 . 2 2 3 3 MET CA C 13 55.715 0.400 . 1 . . . B 724 MET CA . 17412 1 1337 . 2 2 3 3 MET CB C 13 32.792 0.400 . 1 . . . B 724 MET CB . 17412 1 1338 . 2 2 3 3 MET CG C 13 32.104 0.400 . 1 . . . B 724 MET CG . 17412 1 1339 . 2 2 3 3 MET CE C 13 16.957 0.400 . 1 . . . B 724 MET CE . 17412 1 1340 . 2 2 3 3 MET N N 15 119.958 0.400 . 1 . . . B 724 MET N . 17412 1 1341 . 2 2 4 4 GLY H H 1 8.467 0.020 . 1 . . . B 725 GLY H . 17412 1 1342 . 2 2 4 4 GLY HA2 H 1 4.010 0.020 . 2 . . . B 725 GLY HA2 . 17412 1 1343 . 2 2 4 4 GLY HA3 H 1 4.010 0.020 . 2 . . . B 725 GLY HA3 . 17412 1 1344 . 2 2 4 4 GLY CA C 13 45.434 0.400 . 1 . . . B 725 GLY CA . 17412 1 1345 . 2 2 4 4 GLY N N 15 110.569 0.400 . 1 . . . B 725 GLY N . 17412 1 1346 . 2 2 5 5 SER H H 1 8.262 0.020 . 1 . . . B 726 SER H . 17412 1 1347 . 2 2 5 5 SER HA H 1 4.494 0.020 . 1 . . . B 726 SER HA . 17412 1 1348 . 2 2 5 5 SER HB2 H 1 3.890 0.020 . 2 . . . B 726 SER HB2 . 17412 1 1349 . 2 2 5 5 SER HB3 H 1 3.890 0.020 . 2 . . . B 726 SER HB3 . 17412 1 1350 . 2 2 5 5 SER CA C 13 55.726 0.400 . 1 . . . B 726 SER CA . 17412 1 1351 . 2 2 5 5 SER CB C 13 64.050 0.400 . 1 . . . B 726 SER CB . 17412 1 1352 . 2 2 5 5 SER N N 15 115.844 0.400 . 1 . . . B 726 SER N . 17412 1 1353 . 2 2 6 6 ALA H H 1 8.455 0.020 . 1 . . . B 727 ALA H . 17412 1 1354 . 2 2 6 6 ALA HA H 1 4.409 0.020 . 1 . . . B 727 ALA HA . 17412 1 1355 . 2 2 6 6 ALA HB1 H 1 1.420 0.020 . 1 . . . B 727 ALA HB1 . 17412 1 1356 . 2 2 6 6 ALA HB2 H 1 1.420 0.020 . 1 . . . B 727 ALA HB2 . 17412 1 1357 . 2 2 6 6 ALA HB3 H 1 1.420 0.020 . 1 . . . B 727 ALA HB3 . 17412 1 1358 . 2 2 6 6 ALA CA C 13 52.738 0.400 . 1 . . . B 727 ALA CA . 17412 1 1359 . 2 2 6 6 ALA CB C 13 19.392 0.400 . 1 . . . B 727 ALA CB . 17412 1 1360 . 2 2 6 6 ALA N N 15 125.990 0.400 . 1 . . . B 727 ALA N . 17412 1 1361 . 2 2 7 7 SER H H 1 8.343 0.020 . 1 . . . B 728 SER H . 17412 1 1362 . 2 2 7 7 SER HA H 1 4.525 0.020 . 1 . . . B 728 SER HA . 17412 1 1363 . 2 2 7 7 SER HB2 H 1 3.903 0.020 . 2 . . . B 728 SER HB2 . 17412 1 1364 . 2 2 7 7 SER HB3 H 1 3.903 0.020 . 2 . . . B 728 SER HB3 . 17412 1 1365 . 2 2 7 7 SER CA C 13 58.515 0.400 . 1 . . . B 728 SER CA . 17412 1 1366 . 2 2 7 7 SER CB C 13 64.068 0.400 . 1 . . . B 728 SER CB . 17412 1 1367 . 2 2 7 7 SER N N 15 115.135 0.400 . 1 . . . B 728 SER N . 17412 1 1368 . 2 2 8 8 SER H H 1 8.381 0.020 . 1 . . . B 729 SER H . 17412 1 1369 . 2 2 8 8 SER HA H 1 4.517 0.020 . 1 . . . B 729 SER HA . 17412 1 1370 . 2 2 8 8 SER HB2 H 1 3.956 0.020 . 2 . . . B 729 SER HB2 . 17412 1 1371 . 2 2 8 8 SER HB3 H 1 3.880 0.020 . 2 . . . B 729 SER HB3 . 17412 1 1372 . 2 2 8 8 SER CA C 13 58.515 0.400 . 1 . . . B 729 SER CA . 17412 1 1373 . 2 2 8 8 SER CB C 13 63.965 0.400 . 1 . . . B 729 SER CB . 17412 1 1374 . 2 2 8 8 SER N N 15 117.803 0.400 . 1 . . . B 729 SER N . 17412 1 1375 . 2 2 9 9 GLU H H 1 8.464 0.020 . 1 . . . B 730 GLU H . 17412 1 1376 . 2 2 9 9 GLU HA H 1 4.385 0.020 . 1 . . . B 730 GLU HA . 17412 1 1377 . 2 2 9 9 GLU HB2 H 1 2.135 0.020 . 2 . . . B 730 GLU HB2 . 17412 1 1378 . 2 2 9 9 GLU HB3 H 1 1.950 0.020 . 2 . . . B 730 GLU HB3 . 17412 1 1379 . 2 2 9 9 GLU HG2 H 1 2.313 0.020 . 2 . . . B 730 GLU HG2 . 17412 1 1380 . 2 2 9 9 GLU HG3 H 1 2.313 0.020 . 2 . . . B 730 GLU HG3 . 17412 1 1381 . 2 2 9 9 GLU CA C 13 56.303 0.400 . 1 . . . B 730 GLU CA . 17412 1 1382 . 2 2 9 9 GLU CB C 13 30.400 0.400 . 1 . . . B 730 GLU CB . 17412 1 1383 . 2 2 9 9 GLU CG C 13 36.377 0.400 . 1 . . . B 730 GLU CG . 17412 1 1384 . 2 2 9 9 GLU N N 15 122.487 0.400 . 1 . . . B 730 GLU N . 17412 1 1385 . 2 2 10 10 ASP H H 1 8.323 0.020 . 1 . . . B 731 ASP H . 17412 1 1386 . 2 2 10 10 ASP HA H 1 4.568 0.020 . 1 . . . B 731 ASP HA . 17412 1 1387 . 2 2 10 10 ASP HB2 H 1 2.585 0.020 . 2 . . . B 731 ASP HB2 . 17412 1 1388 . 2 2 10 10 ASP HB3 H 1 2.585 0.020 . 2 . . . B 731 ASP HB3 . 17412 1 1389 . 2 2 10 10 ASP CA C 13 54.292 0.400 . 1 . . . B 731 ASP CA . 17412 1 1390 . 2 2 10 10 ASP CB C 13 42.870 0.400 . 1 . . . B 731 ASP CB . 17412 1 1391 . 2 2 10 10 ASP N N 15 121.881 0.400 . 1 . . . B 731 ASP N . 17412 1 1392 . 2 2 11 11 TYR H H 1 7.950 0.020 . 1 . . . B 732 TYR H . 17412 1 1393 . 2 2 11 11 TYR HA H 1 4.175 0.020 . 1 . . . B 732 TYR HA . 17412 1 1394 . 2 2 11 11 TYR HB2 H 1 2.633 0.020 . 2 . . . B 732 TYR HB2 . 17412 1 1395 . 2 2 11 11 TYR HB3 H 1 2.575 0.020 . 2 . . . B 732 TYR HB3 . 17412 1 1396 . 2 2 11 11 TYR HD1 H 1 6.850 0.020 . 3 . . . B 732 TYR HD1 . 17412 1 1397 . 2 2 11 11 TYR HD2 H 1 6.850 0.020 . 3 . . . B 732 TYR HD2 . 17412 1 1398 . 2 2 11 11 TYR HE1 H 1 6.750 0.020 . 3 . . . B 732 TYR HE1 . 17412 1 1399 . 2 2 11 11 TYR HE2 H 1 6.750 0.020 . 3 . . . B 732 TYR HE2 . 17412 1 1400 . 2 2 11 11 TYR CA C 13 57.643 0.400 . 1 . . . B 732 TYR CA . 17412 1 1401 . 2 2 11 11 TYR CB C 13 41.077 0.400 . 1 . . . B 732 TYR CB . 17412 1 1402 . 2 2 11 11 TYR CD2 C 13 133.500 0.400 . 3 . . . B 732 TYR CD2 . 17412 1 1403 . 2 2 11 11 TYR CE2 C 13 118.330 0.400 . 3 . . . B 732 TYR CE2 . 17412 1 1404 . 2 2 11 11 TYR N N 15 116.705 0.400 . 1 . . . B 732 TYR N . 17412 1 1405 . 2 2 12 12 ILE H H 1 8.320 0.020 . 1 . . . B 733 ILE H . 17412 1 1406 . 2 2 12 12 ILE HA H 1 4.164 0.020 . 1 . . . B 733 ILE HA . 17412 1 1407 . 2 2 12 12 ILE HB H 1 1.626 0.020 . 1 . . . B 733 ILE HB . 17412 1 1408 . 2 2 12 12 ILE HG12 H 1 1.140 0.020 . 2 . . . B 733 ILE HG12 . 17412 1 1409 . 2 2 12 12 ILE HG13 H 1 1.140 0.020 . 2 . . . B 733 ILE HG13 . 17412 1 1410 . 2 2 12 12 ILE HG21 H 1 0.836 0.020 . 1 . . . B 733 ILE HG21 . 17412 1 1411 . 2 2 12 12 ILE HG22 H 1 0.836 0.020 . 1 . . . B 733 ILE HG22 . 17412 1 1412 . 2 2 12 12 ILE HG23 H 1 0.836 0.020 . 1 . . . B 733 ILE HG23 . 17412 1 1413 . 2 2 12 12 ILE HD11 H 1 0.682 0.020 . 1 . . . B 733 ILE HD11 . 17412 1 1414 . 2 2 12 12 ILE HD12 H 1 0.682 0.020 . 1 . . . B 733 ILE HD12 . 17412 1 1415 . 2 2 12 12 ILE HD13 H 1 0.682 0.020 . 1 . . . B 733 ILE HD13 . 17412 1 1416 . 2 2 12 12 ILE CA C 13 59.191 0.400 . 1 . . . B 733 ILE CA . 17412 1 1417 . 2 2 12 12 ILE CB C 13 42.458 0.400 . 1 . . . B 733 ILE CB . 17412 1 1418 . 2 2 12 12 ILE CG1 C 13 26.327 0.400 . 1 . . . B 733 ILE CG1 . 17412 1 1419 . 2 2 12 12 ILE CG2 C 13 17.245 0.400 . 1 . . . B 733 ILE CG2 . 17412 1 1420 . 2 2 12 12 ILE CD1 C 13 10.344 0.400 . 1 . . . B 733 ILE CD1 . 17412 1 1421 . 2 2 12 12 ILE N N 15 121.881 0.400 . 1 . . . B 733 ILE N . 17412 1 1422 . 2 2 13 13 ILE H H 1 8.730 0.020 . 1 . . . B 734 ILE H . 17412 1 1423 . 2 2 13 13 ILE HA H 1 4.196 0.020 . 1 . . . B 734 ILE HA . 17412 1 1424 . 2 2 13 13 ILE HB H 1 1.850 0.020 . 1 . . . B 734 ILE HB . 17412 1 1425 . 2 2 13 13 ILE HG12 H 1 1.508 0.020 . 2 . . . B 734 ILE HG12 . 17412 1 1426 . 2 2 13 13 ILE HG13 H 1 0.865 0.020 . 2 . . . B 734 ILE HG13 . 17412 1 1427 . 2 2 13 13 ILE HG21 H 1 0.658 0.020 . 1 . . . B 734 ILE HG21 . 17412 1 1428 . 2 2 13 13 ILE HG22 H 1 0.658 0.020 . 1 . . . B 734 ILE HG22 . 17412 1 1429 . 2 2 13 13 ILE HG23 H 1 0.658 0.020 . 1 . . . B 734 ILE HG23 . 17412 1 1430 . 2 2 13 13 ILE HD11 H 1 0.691 0.020 . 1 . . . B 734 ILE HD11 . 17412 1 1431 . 2 2 13 13 ILE HD12 H 1 0.691 0.020 . 1 . . . B 734 ILE HD12 . 17412 1 1432 . 2 2 13 13 ILE HD13 H 1 0.691 0.020 . 1 . . . B 734 ILE HD13 . 17412 1 1433 . 2 2 13 13 ILE CA C 13 61.036 0.400 . 1 . . . B 734 ILE CA . 17412 1 1434 . 2 2 13 13 ILE CB C 13 37.064 0.400 . 1 . . . B 734 ILE CB . 17412 1 1435 . 2 2 13 13 ILE CG1 C 13 27.882 0.400 . 1 . . . B 734 ILE CG1 . 17412 1 1436 . 2 2 13 13 ILE CG2 C 13 17.215 0.400 . 1 . . . B 734 ILE CG2 . 17412 1 1437 . 2 2 13 13 ILE CD1 C 13 12.591 0.400 . 1 . . . B 734 ILE CD1 . 17412 1 1438 . 2 2 13 13 ILE N N 15 129.590 0.400 . 1 . . . B 734 ILE N . 17412 1 1439 . 2 2 14 14 ILE H H 1 7.830 0.020 . 1 . . . B 735 ILE H . 17412 1 1440 . 2 2 14 14 ILE HA H 1 4.299 0.020 . 1 . . . B 735 ILE HA . 17412 1 1441 . 2 2 14 14 ILE HB H 1 2.143 0.020 . 1 . . . B 735 ILE HB . 17412 1 1442 . 2 2 14 14 ILE HG12 H 1 1.796 0.020 . 2 . . . B 735 ILE HG12 . 17412 1 1443 . 2 2 14 14 ILE HG13 H 1 1.603 0.020 . 2 . . . B 735 ILE HG13 . 17412 1 1444 . 2 2 14 14 ILE HG21 H 1 1.000 0.020 . 1 . . . B 735 ILE HG21 . 17412 1 1445 . 2 2 14 14 ILE HG22 H 1 1.000 0.020 . 1 . . . B 735 ILE HG22 . 17412 1 1446 . 2 2 14 14 ILE HG23 H 1 1.000 0.020 . 1 . . . B 735 ILE HG23 . 17412 1 1447 . 2 2 14 14 ILE HD11 H 1 1.031 0.020 . 1 . . . B 735 ILE HD11 . 17412 1 1448 . 2 2 14 14 ILE HD12 H 1 1.031 0.020 . 1 . . . B 735 ILE HD12 . 17412 1 1449 . 2 2 14 14 ILE HD13 H 1 1.031 0.020 . 1 . . . B 735 ILE HD13 . 17412 1 1450 . 2 2 14 14 ILE CA C 13 58.985 0.400 . 1 . . . B 735 ILE CA . 17412 1 1451 . 2 2 14 14 ILE CB C 13 37.686 0.400 . 1 . . . B 735 ILE CB . 17412 1 1452 . 2 2 14 14 ILE CG1 C 13 27.728 0.400 . 1 . . . B 735 ILE CG1 . 17412 1 1453 . 2 2 14 14 ILE CG2 C 13 18.134 0.400 . 1 . . . B 735 ILE CG2 . 17412 1 1454 . 2 2 14 14 ILE CD1 C 13 11.186 0.400 . 1 . . . B 735 ILE CD1 . 17412 1 1455 . 2 2 14 14 ILE N N 15 128.605 0.400 . 1 . . . B 735 ILE N . 17412 1 1456 . 2 2 15 15 LEU H H 1 8.871 0.020 . 1 . . . B 736 LEU H . 17412 1 1457 . 2 2 15 15 LEU HA H 1 4.610 0.020 . 1 . . . B 736 LEU HA . 17412 1 1458 . 2 2 15 15 LEU HB2 H 1 1.741 0.020 . 2 . . . B 736 LEU HB2 . 17412 1 1459 . 2 2 15 15 LEU HB3 H 1 1.571 0.020 . 2 . . . B 736 LEU HB3 . 17412 1 1460 . 2 2 15 15 LEU HG H 1 1.660 0.020 . 1 . . . B 736 LEU HG . 17412 1 1461 . 2 2 15 15 LEU HD11 H 1 0.911 0.020 . 2 . . . B 736 LEU HD11 . 17412 1 1462 . 2 2 15 15 LEU HD12 H 1 0.911 0.020 . 2 . . . B 736 LEU HD12 . 17412 1 1463 . 2 2 15 15 LEU HD13 H 1 0.911 0.020 . 2 . . . B 736 LEU HD13 . 17412 1 1464 . 2 2 15 15 LEU HD21 H 1 0.954 0.020 . 2 . . . B 736 LEU HD21 . 17412 1 1465 . 2 2 15 15 LEU HD22 H 1 0.954 0.020 . 2 . . . B 736 LEU HD22 . 17412 1 1466 . 2 2 15 15 LEU HD23 H 1 0.954 0.020 . 2 . . . B 736 LEU HD23 . 17412 1 1467 . 2 2 15 15 LEU CA C 13 53.260 0.400 . 1 . . . B 736 LEU CA . 17412 1 1468 . 2 2 15 15 LEU CB C 13 41.550 0.400 . 1 . . . B 736 LEU CB . 17412 1 1469 . 2 2 15 15 LEU CG C 13 27.078 0.400 . 1 . . . B 736 LEU CG . 17412 1 1470 . 2 2 15 15 LEU CD1 C 13 23.192 0.400 . 2 . . . B 736 LEU CD1 . 17412 1 1471 . 2 2 15 15 LEU CD2 C 13 25.678 0.400 . 2 . . . B 736 LEU CD2 . 17412 1 1472 . 2 2 15 15 LEU N N 15 128.733 0.400 . 1 . . . B 736 LEU N . 17412 1 1473 . 2 2 16 16 PRO HA H 1 4.352 0.020 . 1 . . . B 737 PRO HA . 17412 1 1474 . 2 2 16 16 PRO HB2 H 1 2.251 0.020 . 2 . . . B 737 PRO HB2 . 17412 1 1475 . 2 2 16 16 PRO HB3 H 1 2.017 0.020 . 2 . . . B 737 PRO HB3 . 17412 1 1476 . 2 2 16 16 PRO HD2 H 1 3.735 0.020 . 2 . . . B 737 PRO HD2 . 17412 1 1477 . 2 2 16 16 PRO HD3 H 1 3.735 0.020 . 2 . . . B 737 PRO HD3 . 17412 1 1478 . 2 2 16 16 PRO CA C 13 63.289 0.400 . 1 . . . B 737 PRO CA . 17412 1 1479 . 2 2 16 16 PRO CB C 13 32.228 0.400 . 1 . . . B 737 PRO CB . 17412 1 1480 . 2 2 16 16 PRO CD C 13 50.545 0.400 . 1 . . . B 737 PRO CD . 17412 1 1481 . 2 2 17 17 GLU H H 1 8.622 0.020 . 1 . . . B 738 GLU H . 17412 1 1482 . 2 2 17 17 GLU HA H 1 4.349 0.020 . 1 . . . B 738 GLU HA . 17412 1 1483 . 2 2 17 17 GLU HB2 H 1 2.090 0.020 . 2 . . . B 738 GLU HB2 . 17412 1 1484 . 2 2 17 17 GLU HB3 H 1 1.996 0.020 . 2 . . . B 738 GLU HB3 . 17412 1 1485 . 2 2 17 17 GLU HG2 H 1 2.314 0.020 . 2 . . . B 738 GLU HG2 . 17412 1 1486 . 2 2 17 17 GLU HG3 H 1 2.314 0.020 . 2 . . . B 738 GLU HG3 . 17412 1 1487 . 2 2 17 17 GLU CA C 13 56.634 0.400 . 1 . . . B 738 GLU CA . 17412 1 1488 . 2 2 17 17 GLU CB C 13 27.450 0.400 . 1 . . . B 738 GLU CB . 17412 1 1489 . 2 2 17 17 GLU CG C 13 36.377 0.400 . 1 . . . B 738 GLU CG . 17412 1 1490 . 2 2 17 17 GLU N N 15 121.020 0.400 . 1 . . . B 738 GLU N . 17412 1 1491 . 2 2 18 18 SER H H 1 7.943 0.020 . 1 . . . B 739 SER H . 17412 1 1492 . 2 2 18 18 SER HA H 1 4.250 0.020 . 1 . . . B 739 SER HA . 17412 1 1493 . 2 2 18 18 SER HB2 H 1 3.850 0.020 . 2 . . . B 739 SER HB2 . 17412 1 1494 . 2 2 18 18 SER HB3 H 1 3.850 0.020 . 2 . . . B 739 SER HB3 . 17412 1 1495 . 2 2 18 18 SER CA C 13 60.046 0.400 . 1 . . . B 739 SER CA . 17412 1 1496 . 2 2 18 18 SER CB C 13 64.900 0.400 . 1 . . . B 739 SER CB . 17412 1 1497 . 2 2 18 18 SER N N 15 122.100 0.400 . 1 . . . B 739 SER N . 17412 1 stop_ save_