data_11422 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11422 _Entry.Title ; Solution structure of the E. coli ORF135 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-01 _Entry.Accession_date 2011-01-03 _Entry.Last_release_date 2013-02-07 _Entry.Original_release_date 2013-02-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kumiko Kawasaki . . . 11422 2 Masaki Mishima . . . 11422 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID hydrolase . 11422 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11422 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 557 11422 '15N chemical shifts' 132 11422 '1H chemical shifts' 879 11422 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-02-07 2011-01-01 original author . 11422 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RRK 'BMRB Entry Tracking System' 11422 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11422 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21553121 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N NMR assignments of the Escherichia coli Orf135 protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 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 Kumiko Kawasaki . . . 11422 1 2 Momoko Yoneyama . . . 11422 1 3 Naoko Murata-Kamiya . . . 11422 1 4 Hideyoshi Harashima . . . 11422 1 5 Chojiro Kojima . . . 11422 1 6 Yutaka Ito . . . 11422 1 7 Hiroyuki Kamiya . . . 11422 1 8 Masaki Mishima . . . 11422 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11422 _Assembly.ID 1 _Assembly.Name 'CTP pyrophosphohydrolase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'ORF135 protein' 1 $entity A . yes native no no . . . 11422 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11422 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ORF135 protein' _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 ; GPLGSMKMIEVVAAIIERDG KILLAQRPAQSDQAGLWEFA GGKVEPDESQRQALVRELRE ELGIEATVGEYVASHQREVS GRIIHLHAWHVPDFHGTLQA HEHQALVWCSPEEALQYPLA PADIPLLEAFMALRAARPAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15476.681 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2RRK . "Solution Structure Of The E. Coli Orf135 Protein" . . . . . 100.00 140 100.00 100.00 5.43e-94 . . . . 11422 1 2 no DBJ BAA15549 . "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli str. K12 substr. W3110]" . . . . . 96.43 135 100.00 100.00 3.00e-90 . . . . 11422 1 3 no DBJ BAB35888 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.43 135 98.52 99.26 7.51e-89 . . . . 11422 1 4 no DBJ BAG77454 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 96.43 135 97.04 97.78 1.34e-86 . . . . 11422 1 5 no DBJ BAI25775 . "pyrimidine (deoxy) nucleoside triphosphate pyrophosphohydrolase [Escherichia coli O26:H11 str. 11368]" . . . . . 96.43 135 99.26 99.26 1.04e-89 . . . . 11422 1 6 no DBJ BAI30753 . "pyrimidine (deoxy) nucleoside triphosphate pyrophosphohydrolase [Escherichia coli O103:H2 str. 12009]" . . . . . 96.43 135 97.04 97.78 1.34e-86 . . . . 11422 1 7 no EMBL CAP76253 . "CTP pyrophosphohydrolase [Escherichia coli LF82]" . . . . . 96.43 135 98.52 99.26 4.55e-89 . . . . 11422 1 8 no EMBL CAQ32233 . "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli BL21(DE3)]" . . . . . 96.43 135 100.00 100.00 3.00e-90 . . . . 11422 1 9 no EMBL CAQ98676 . "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli IAI1]" . . . . . 96.43 135 97.78 98.52 1.50e-87 . . . . 11422 1 10 no EMBL CAR03119 . "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli S88]" . . . . . 96.43 135 97.04 98.52 1.97e-87 . . . . 11422 1 11 no EMBL CAR13244 . "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli UMN026]" . . . . . 96.43 135 98.52 98.52 2.29e-88 . . . . 11422 1 12 no GB AAC74829 . "CTP pyrophosphohydrolase; also hydrolyzes 2-hydroxy-dATP, 8-hydroxy-dGTP, 5-hydroxy-CTP, dCTP and 5-methyl-dCTP [Escherichia co" . . . . . 96.43 135 100.00 100.00 3.00e-90 . . . . 11422 1 13 no GB AAG56745 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 96.43 135 98.52 99.26 7.51e-89 . . . . 11422 1 14 no GB ABB61654 . "conserved hypothetical protein [Shigella dysenteriae Sd197]" . . . . . 96.43 135 97.04 97.78 1.40e-86 . . . . 11422 1 15 no GB ABE07431 . "CTP pyrophosphohydrolase [Escherichia coli UTI89]" . . . . . 96.43 135 97.04 98.52 1.97e-87 . . . . 11422 1 16 no GB ABG69708 . "CTP pyrophosphohydrolase [Escherichia coli 536]" . . . . . 96.43 135 98.52 99.26 4.55e-89 . . . . 11422 1 17 no REF NP_310492 . "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.43 135 98.52 99.26 7.51e-89 . . . . 11422 1 18 no REF NP_416273 . "CTP pyrophosphohydrolase; also hydrolyzes 2-hydroxy-dATP, 8-hydroxy-dGTP, 5-hydroxy-CTP, dCTP and 5-methyl-dCTP [Escherichia co" . . . . . 96.43 135 100.00 100.00 3.00e-90 . . . . 11422 1 19 no REF WP_000296338 . "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase, partial [Escherichia coli]" . . . . . 67.86 95 98.95 98.95 1.47e-59 . . . . 11422 1 20 no REF WP_000781861 . "pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Escherichia coli]" . . . . . 96.43 135 97.78 98.52 5.73e-88 . . . . 11422 1 21 no REF WP_000781866 . "MULTISPECIES: pyrimidine (deoxy)nucleoside triphosphate pyrophosphohydrolase [Enterobacteriaceae]" . . . . . 96.43 135 98.52 98.52 2.29e-88 . . . . 11422 1 22 no SP P77788 . "RecName: Full=CTP pyrophosphohydrolase" . . . . . 96.43 135 100.00 100.00 3.00e-90 . . . . 11422 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11422 1 2 . PRO . 11422 1 3 . LEU . 11422 1 4 . GLY . 11422 1 5 . SER . 11422 1 6 . MET . 11422 1 7 . LYS . 11422 1 8 . MET . 11422 1 9 . ILE . 11422 1 10 . GLU . 11422 1 11 . VAL . 11422 1 12 . VAL . 11422 1 13 . ALA . 11422 1 14 . ALA . 11422 1 15 . ILE . 11422 1 16 . ILE . 11422 1 17 . GLU . 11422 1 18 . ARG . 11422 1 19 . ASP . 11422 1 20 . GLY . 11422 1 21 . LYS . 11422 1 22 . ILE . 11422 1 23 . LEU . 11422 1 24 . LEU . 11422 1 25 . ALA . 11422 1 26 . GLN . 11422 1 27 . ARG . 11422 1 28 . PRO . 11422 1 29 . ALA . 11422 1 30 . GLN . 11422 1 31 . SER . 11422 1 32 . ASP . 11422 1 33 . GLN . 11422 1 34 . ALA . 11422 1 35 . GLY . 11422 1 36 . LEU . 11422 1 37 . TRP . 11422 1 38 . GLU . 11422 1 39 . PHE . 11422 1 40 . ALA . 11422 1 41 . GLY . 11422 1 42 . GLY . 11422 1 43 . LYS . 11422 1 44 . VAL . 11422 1 45 . GLU . 11422 1 46 . PRO . 11422 1 47 . ASP . 11422 1 48 . GLU . 11422 1 49 . SER . 11422 1 50 . GLN . 11422 1 51 . ARG . 11422 1 52 . GLN . 11422 1 53 . ALA . 11422 1 54 . LEU . 11422 1 55 . VAL . 11422 1 56 . ARG . 11422 1 57 . GLU . 11422 1 58 . LEU . 11422 1 59 . ARG . 11422 1 60 . GLU . 11422 1 61 . GLU . 11422 1 62 . LEU . 11422 1 63 . GLY . 11422 1 64 . ILE . 11422 1 65 . GLU . 11422 1 66 . ALA . 11422 1 67 . THR . 11422 1 68 . VAL . 11422 1 69 . GLY . 11422 1 70 . GLU . 11422 1 71 . TYR . 11422 1 72 . VAL . 11422 1 73 . ALA . 11422 1 74 . SER . 11422 1 75 . HIS . 11422 1 76 . GLN . 11422 1 77 . ARG . 11422 1 78 . GLU . 11422 1 79 . VAL . 11422 1 80 . SER . 11422 1 81 . GLY . 11422 1 82 . ARG . 11422 1 83 . ILE . 11422 1 84 . ILE . 11422 1 85 . HIS . 11422 1 86 . LEU . 11422 1 87 . HIS . 11422 1 88 . ALA . 11422 1 89 . TRP . 11422 1 90 . HIS . 11422 1 91 . VAL . 11422 1 92 . PRO . 11422 1 93 . ASP . 11422 1 94 . PHE . 11422 1 95 . HIS . 11422 1 96 . GLY . 11422 1 97 . THR . 11422 1 98 . LEU . 11422 1 99 . GLN . 11422 1 100 . ALA . 11422 1 101 . HIS . 11422 1 102 . GLU . 11422 1 103 . HIS . 11422 1 104 . GLN . 11422 1 105 . ALA . 11422 1 106 . LEU . 11422 1 107 . VAL . 11422 1 108 . TRP . 11422 1 109 . CYS . 11422 1 110 . SER . 11422 1 111 . PRO . 11422 1 112 . GLU . 11422 1 113 . GLU . 11422 1 114 . ALA . 11422 1 115 . LEU . 11422 1 116 . GLN . 11422 1 117 . TYR . 11422 1 118 . PRO . 11422 1 119 . LEU . 11422 1 120 . ALA . 11422 1 121 . PRO . 11422 1 122 . ALA . 11422 1 123 . ASP . 11422 1 124 . ILE . 11422 1 125 . PRO . 11422 1 126 . LEU . 11422 1 127 . LEU . 11422 1 128 . GLU . 11422 1 129 . ALA . 11422 1 130 . PHE . 11422 1 131 . MET . 11422 1 132 . ALA . 11422 1 133 . LEU . 11422 1 134 . ARG . 11422 1 135 . ALA . 11422 1 136 . ALA . 11422 1 137 . ARG . 11422 1 138 . PRO . 11422 1 139 . ALA . 11422 1 140 . ASP . 11422 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 11422 1 . PRO 2 2 11422 1 . LEU 3 3 11422 1 . GLY 4 4 11422 1 . SER 5 5 11422 1 . MET 6 6 11422 1 . LYS 7 7 11422 1 . MET 8 8 11422 1 . ILE 9 9 11422 1 . GLU 10 10 11422 1 . VAL 11 11 11422 1 . VAL 12 12 11422 1 . ALA 13 13 11422 1 . ALA 14 14 11422 1 . ILE 15 15 11422 1 . ILE 16 16 11422 1 . GLU 17 17 11422 1 . ARG 18 18 11422 1 . ASP 19 19 11422 1 . GLY 20 20 11422 1 . LYS 21 21 11422 1 . ILE 22 22 11422 1 . LEU 23 23 11422 1 . LEU 24 24 11422 1 . ALA 25 25 11422 1 . GLN 26 26 11422 1 . ARG 27 27 11422 1 . PRO 28 28 11422 1 . ALA 29 29 11422 1 . GLN 30 30 11422 1 . SER 31 31 11422 1 . ASP 32 32 11422 1 . GLN 33 33 11422 1 . ALA 34 34 11422 1 . GLY 35 35 11422 1 . LEU 36 36 11422 1 . TRP 37 37 11422 1 . GLU 38 38 11422 1 . PHE 39 39 11422 1 . ALA 40 40 11422 1 . GLY 41 41 11422 1 . GLY 42 42 11422 1 . LYS 43 43 11422 1 . VAL 44 44 11422 1 . GLU 45 45 11422 1 . PRO 46 46 11422 1 . ASP 47 47 11422 1 . GLU 48 48 11422 1 . SER 49 49 11422 1 . GLN 50 50 11422 1 . ARG 51 51 11422 1 . GLN 52 52 11422 1 . ALA 53 53 11422 1 . LEU 54 54 11422 1 . VAL 55 55 11422 1 . ARG 56 56 11422 1 . GLU 57 57 11422 1 . LEU 58 58 11422 1 . ARG 59 59 11422 1 . GLU 60 60 11422 1 . GLU 61 61 11422 1 . LEU 62 62 11422 1 . GLY 63 63 11422 1 . ILE 64 64 11422 1 . GLU 65 65 11422 1 . ALA 66 66 11422 1 . THR 67 67 11422 1 . VAL 68 68 11422 1 . GLY 69 69 11422 1 . GLU 70 70 11422 1 . TYR 71 71 11422 1 . VAL 72 72 11422 1 . ALA 73 73 11422 1 . SER 74 74 11422 1 . HIS 75 75 11422 1 . GLN 76 76 11422 1 . ARG 77 77 11422 1 . GLU 78 78 11422 1 . VAL 79 79 11422 1 . SER 80 80 11422 1 . GLY 81 81 11422 1 . ARG 82 82 11422 1 . ILE 83 83 11422 1 . ILE 84 84 11422 1 . HIS 85 85 11422 1 . LEU 86 86 11422 1 . HIS 87 87 11422 1 . ALA 88 88 11422 1 . TRP 89 89 11422 1 . HIS 90 90 11422 1 . VAL 91 91 11422 1 . PRO 92 92 11422 1 . ASP 93 93 11422 1 . PHE 94 94 11422 1 . HIS 95 95 11422 1 . GLY 96 96 11422 1 . THR 97 97 11422 1 . LEU 98 98 11422 1 . GLN 99 99 11422 1 . ALA 100 100 11422 1 . HIS 101 101 11422 1 . GLU 102 102 11422 1 . HIS 103 103 11422 1 . GLN 104 104 11422 1 . ALA 105 105 11422 1 . LEU 106 106 11422 1 . VAL 107 107 11422 1 . TRP 108 108 11422 1 . CYS 109 109 11422 1 . SER 110 110 11422 1 . PRO 111 111 11422 1 . GLU 112 112 11422 1 . GLU 113 113 11422 1 . ALA 114 114 11422 1 . LEU 115 115 11422 1 . GLN 116 116 11422 1 . TYR 117 117 11422 1 . PRO 118 118 11422 1 . LEU 119 119 11422 1 . ALA 120 120 11422 1 . PRO 121 121 11422 1 . ALA 122 122 11422 1 . ASP 123 123 11422 1 . ILE 124 124 11422 1 . PRO 125 125 11422 1 . LEU 126 126 11422 1 . LEU 127 127 11422 1 . GLU 128 128 11422 1 . ALA 129 129 11422 1 . PHE 130 130 11422 1 . MET 131 131 11422 1 . ALA 132 132 11422 1 . LEU 133 133 11422 1 . ARG 134 134 11422 1 . ALA 135 135 11422 1 . ALA 136 136 11422 1 . ARG 137 137 11422 1 . PRO 138 138 11422 1 . ALA 139 139 11422 1 . ASP 140 140 11422 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11422 _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 $entity . 83333 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K14 . . . . . . . . . . . . . . . . . . . . 11422 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 11422 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 511693 Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX6P3 . . . . . . 11422 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11422 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ORF135 protein' '[U-99% 15N]' . . 1 $entity . protein 1 . . mM . . . . 11422 1 2 'potassium phosphate' 'natural abundance' . . . . . salt 50 . . mM . . . . 11422 1 3 'potassium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 11422 1 4 DTT 'natural abundance' . . . . . buffer 1 . . mM . . . . 11422 1 5 EDTA 'natural abundance' . . . . . buffer 0.1 . . mM . . . . 11422 1 6 H2O . . . . . . solvent 93 . . % . . . . 11422 1 7 D2O . . . . . . solvent 7 . . % . . . . 11422 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11422 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ORF135 protein' '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 1 . . mM . . . . 11422 2 2 'potassium phosphate' 'natural abundance' . . . . . salt 50 . . mM . . . . 11422 2 3 'potassium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 11422 2 4 DTT 'natural abundance' . . . . . buffer 1 . . mM . . . . 11422 2 5 EDTA 'natural abundance' . . . . . buffer 0.1 . . mM . . . . 11422 2 6 H2O . . . . . . solvent 93 . . % . . . . 11422 2 7 D2O . . . . . . solvent 7 . . % . . . . 11422 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11422 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'ORF135 protein' '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 1 . . mM . . . . 11422 3 2 'potassium phosphate' 'natural abundance' . . . . . salt 50 . . mM . . . . 11422 3 3 'potassium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 11422 3 4 DTT 'natural abundance' . . . . . buffer 1 . . mM . . . . 11422 3 5 EDTA 'natural abundance' . . . . . buffer 0.1 . . mM . . . . 11422 3 6 D2O . . . . . . solvent 100 . . % . . . . 11422 3 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 11422 _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' 70 . mM 11422 1 pH 6.9 . pH 11422 1 pressure 1 . atm 11422 1 temperature 303 . K 11422 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11422 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11422 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11422 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11422 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11422 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11422 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11422 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11422 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11422 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11422 _Software.ID 4 _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' . . 11422 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11422 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11422 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11422 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11422 5 'data analysis' 11422 5 'peak picking' 11422 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11422 _Software.ID 6 _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' . . 11422 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11422 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11422 _Software.ID 7 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11422 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11422 7 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 11422 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11422 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11422 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11422 _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 . 500 . . . 11422 1 2 spectrometer_2 Bruker Avance . 600 . . . 11422 1 3 spectrometer_3 Bruker DRX . 800 . . . 11422 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 11422 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 4 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 9 '4D HC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11422 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11422 1 12 '2D 15N filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11422 1 13 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11422 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 11422 _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 external indirect 0.251449530 . . . . . . . . . 11422 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 11422 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 11422 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 11422 _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 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' 1 $sample_1 isotropic 11422 1 2 '3D HNCACB' 2 $sample_2 isotropic 11422 1 3 '3D HN(CO)CACB' 2 $sample_2 isotropic 11422 1 4 '3D HN(CA)CO' 2 $sample_2 isotropic 11422 1 5 '3D HNCO' 2 $sample_2 isotropic 11422 1 6 '3D HCCH-TOCSY' 3 $sample_3 isotropic 11422 1 7 '3D H(CCO)NH' 2 $sample_2 isotropic 11422 1 8 '3D C(CO)NH' 2 $sample_2 isotropic 11422 1 9 '4D HC(CO)NH' 2 $sample_2 isotropic 11422 1 10 '3D 1H-13C NOESY aliphatic' 3 $sample_3 isotropic 11422 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11422 1 12 '2D 15N filtered NOESY' 1 $sample_1 isotropic 11422 1 13 '3D HNHA' 1 $sample_1 isotropic 11422 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.373 0.04 . 1 . . . A 2 PRO HA . 11422 1 2 . 1 1 2 2 PRO HB2 H 1 2.211 0.04 . 2 . . . A 2 PRO HB2 . 11422 1 3 . 1 1 2 2 PRO HG2 H 1 1.887 0.04 . 2 . . . A 2 PRO HG2 . 11422 1 4 . 1 1 2 2 PRO HG3 H 1 1.887 0.04 . 2 . . . A 2 PRO HG3 . 11422 1 5 . 1 1 2 2 PRO HD2 H 1 3.468 0.04 . 2 . . . A 2 PRO HD2 . 11422 1 6 . 1 1 2 2 PRO HD3 H 1 3.468 0.04 . 2 . . . A 2 PRO HD3 . 11422 1 7 . 1 1 2 2 PRO C C 13 177.061 0.40 . 1 . . . A 2 PRO C . 11422 1 8 . 1 1 2 2 PRO CA C 13 63.121 0.40 . 1 . . . A 2 PRO CA . 11422 1 9 . 1 1 2 2 PRO CB C 13 32.296 0.40 . 1 . . . A 2 PRO CB . 11422 1 10 . 1 1 2 2 PRO CG C 13 27.024 0.40 . 1 . . . A 2 PRO CG . 11422 1 11 . 1 1 2 2 PRO CD C 13 49.640 0.40 . 1 . . . A 2 PRO CD . 11422 1 12 . 1 1 3 3 LEU H H 1 8.452 0.04 . 1 . . . A 3 LEU H . 11422 1 13 . 1 1 3 3 LEU HA H 1 4.234 0.04 . 1 . . . A 3 LEU HA . 11422 1 14 . 1 1 3 3 LEU HB2 H 1 1.546 0.04 . 2 . . . A 3 LEU HB2 . 11422 1 15 . 1 1 3 3 LEU HB3 H 1 1.547 0.04 . 2 . . . A 3 LEU HB3 . 11422 1 16 . 1 1 3 3 LEU HD11 H 1 0.812 0.04 . 2 . . . A 3 LEU HD11 . 11422 1 17 . 1 1 3 3 LEU HD12 H 1 0.812 0.04 . 2 . . . A 3 LEU HD12 . 11422 1 18 . 1 1 3 3 LEU HD13 H 1 0.812 0.04 . 2 . . . A 3 LEU HD13 . 11422 1 19 . 1 1 3 3 LEU HD21 H 1 0.786 0.04 . 2 . . . A 3 LEU HD21 . 11422 1 20 . 1 1 3 3 LEU HD22 H 1 0.786 0.04 . 2 . . . A 3 LEU HD22 . 11422 1 21 . 1 1 3 3 LEU HD23 H 1 0.786 0.04 . 2 . . . A 3 LEU HD23 . 11422 1 22 . 1 1 3 3 LEU C C 13 178.000 0.40 . 1 . . . A 3 LEU C . 11422 1 23 . 1 1 3 3 LEU CA C 13 55.498 0.40 . 1 . . . A 3 LEU CA . 11422 1 24 . 1 1 3 3 LEU CB C 13 42.264 0.40 . 1 . . . A 3 LEU CB . 11422 1 25 . 1 1 3 3 LEU CG C 13 27.001 0.40 . 1 . . . A 3 LEU CG . 11422 1 26 . 1 1 3 3 LEU CD1 C 13 24.893 0.40 . 2 . . . A 3 LEU CD1 . 11422 1 27 . 1 1 3 3 LEU CD2 C 13 23.380 0.40 . 2 . . . A 3 LEU CD2 . 11422 1 28 . 1 1 3 3 LEU N N 15 123.116 0.40 . 1 . . . A 3 LEU N . 11422 1 29 . 1 1 4 4 GLY H H 1 8.305 0.04 . 1 . . . A 4 GLY H . 11422 1 30 . 1 1 4 4 GLY HA2 H 1 3.873 0.04 . 2 . . . A 4 GLY HA2 . 11422 1 31 . 1 1 4 4 GLY HA3 H 1 3.873 0.04 . 2 . . . A 4 GLY HA3 . 11422 1 32 . 1 1 4 4 GLY C C 13 174.225 0.40 . 1 . . . A 4 GLY C . 11422 1 33 . 1 1 4 4 GLY CA C 13 45.377 0.40 . 1 . . . A 4 GLY CA . 11422 1 34 . 1 1 4 4 GLY N N 15 110.142 0.40 . 1 . . . A 4 GLY N . 11422 1 35 . 1 1 5 5 SER H H 1 8.087 0.04 . 1 . . . A 5 SER H . 11422 1 36 . 1 1 5 5 SER HA H 1 3.766 0.04 . 1 . . . A 5 SER HA . 11422 1 37 . 1 1 5 5 SER HB2 H 1 4.353 0.04 . 2 . . . A 5 SER HB2 . 11422 1 38 . 1 1 5 5 SER HB3 H 1 4.353 0.04 . 2 . . . A 5 SER HB3 . 11422 1 39 . 1 1 5 5 SER C C 13 174.519 0.40 . 1 . . . A 5 SER C . 11422 1 40 . 1 1 5 5 SER CA C 13 58.278 0.40 . 1 . . . A 5 SER CA . 11422 1 41 . 1 1 5 5 SER CB C 13 63.945 0.40 . 1 . . . A 5 SER CB . 11422 1 42 . 1 1 5 5 SER N N 15 116.034 0.40 . 1 . . . A 5 SER N . 11422 1 43 . 1 1 6 6 MET H H 1 8.189 0.04 . 1 . . . A 6 MET H . 11422 1 44 . 1 1 6 6 MET HA H 1 4.391 0.04 . 1 . . . A 6 MET HA . 11422 1 45 . 1 1 6 6 MET HB2 H 1 1.907 0.04 . 2 . . . A 6 MET HB2 . 11422 1 46 . 1 1 6 6 MET HB3 H 1 1.913 0.04 . 2 . . . A 6 MET HB3 . 11422 1 47 . 1 1 6 6 MET HG2 H 1 2.420 0.04 . 2 . . . A 6 MET HG2 . 11422 1 48 . 1 1 6 6 MET HG3 H 1 2.484 0.04 . 2 . . . A 6 MET HG3 . 11422 1 49 . 1 1 6 6 MET C C 13 175.810 0.40 . 1 . . . A 6 MET C . 11422 1 50 . 1 1 6 6 MET CA C 13 55.551 0.40 . 1 . . . A 6 MET CA . 11422 1 51 . 1 1 6 6 MET CB C 13 33.513 0.40 . 1 . . . A 6 MET CB . 11422 1 52 . 1 1 6 6 MET CG C 13 32.535 0.40 . 1 . . . A 6 MET CG . 11422 1 53 . 1 1 6 6 MET N N 15 122.688 0.40 . 1 . . . A 6 MET N . 11422 1 54 . 1 1 7 7 LYS H H 1 8.316 0.04 . 1 . . . A 7 LYS H . 11422 1 55 . 1 1 7 7 LYS HA H 1 4.217 0.04 . 1 . . . A 7 LYS HA . 11422 1 56 . 1 1 7 7 LYS HB2 H 1 1.692 0.04 . 2 . . . A 7 LYS HB2 . 11422 1 57 . 1 1 7 7 LYS HB3 H 1 1.757 0.04 . 2 . . . A 7 LYS HB3 . 11422 1 58 . 1 1 7 7 LYS HG2 H 1 1.366 0.04 . 2 . . . A 7 LYS HG2 . 11422 1 59 . 1 1 7 7 LYS HG3 H 1 1.415 0.04 . 2 . . . A 7 LYS HG3 . 11422 1 60 . 1 1 7 7 LYS HD2 H 1 1.611 0.04 . 2 . . . A 7 LYS HD2 . 11422 1 61 . 1 1 7 7 LYS HD3 H 1 1.612 0.04 . 2 . . . A 7 LYS HD3 . 11422 1 62 . 1 1 7 7 LYS HE2 H 1 2.913 0.04 . 2 . . . A 7 LYS HE2 . 11422 1 63 . 1 1 7 7 LYS HE3 H 1 2.913 0.04 . 2 . . . A 7 LYS HE3 . 11422 1 64 . 1 1 7 7 LYS C C 13 175.357 0.40 . 1 . . . A 7 LYS C . 11422 1 65 . 1 1 7 7 LYS CA C 13 56.369 0.40 . 1 . . . A 7 LYS CA . 11422 1 66 . 1 1 7 7 LYS CB C 13 33.235 0.40 . 1 . . . A 7 LYS CB . 11422 1 67 . 1 1 7 7 LYS CG C 13 24.908 0.40 . 1 . . . A 7 LYS CG . 11422 1 68 . 1 1 7 7 LYS CD C 13 29.054 0.40 . 1 . . . A 7 LYS CD . 11422 1 69 . 1 1 7 7 LYS CE C 13 42.144 0.40 . 1 . . . A 7 LYS CE . 11422 1 70 . 1 1 7 7 LYS N N 15 123.671 0.40 . 1 . . . A 7 LYS N . 11422 1 71 . 1 1 8 8 MET H H 1 8.233 0.04 . 1 . . . A 8 MET H . 11422 1 72 . 1 1 8 8 MET HA H 1 5.061 0.04 . 1 . . . A 8 MET HA . 11422 1 73 . 1 1 8 8 MET HB2 H 1 1.878 0.04 . 2 . . . A 8 MET HB2 . 11422 1 74 . 1 1 8 8 MET HB3 H 1 1.877 0.04 . 2 . . . A 8 MET HB3 . 11422 1 75 . 1 1 8 8 MET HG2 H 1 2.271 0.04 . 2 . . . A 8 MET HG2 . 11422 1 76 . 1 1 8 8 MET HG3 H 1 2.320 0.04 . 2 . . . A 8 MET HG3 . 11422 1 77 . 1 1 8 8 MET C C 13 175.471 0.40 . 1 . . . A 8 MET C . 11422 1 78 . 1 1 8 8 MET CA C 13 54.902 0.40 . 1 . . . A 8 MET CA . 11422 1 79 . 1 1 8 8 MET CB C 13 34.692 0.40 . 1 . . . A 8 MET CB . 11422 1 80 . 1 1 8 8 MET CG C 13 31.750 0.40 . 1 . . . A 8 MET CG . 11422 1 81 . 1 1 8 8 MET N N 15 122.728 0.40 . 1 . . . A 8 MET N . 11422 1 82 . 1 1 9 9 ILE H H 1 8.825 0.04 . 1 . . . A 9 ILE H . 11422 1 83 . 1 1 9 9 ILE HA H 1 4.295 0.04 . 1 . . . A 9 ILE HA . 11422 1 84 . 1 1 9 9 ILE HB H 1 1.830 0.04 . 1 . . . A 9 ILE HB . 11422 1 85 . 1 1 9 9 ILE HG12 H 1 1.377 0.04 . 2 . . . A 9 ILE HG12 . 11422 1 86 . 1 1 9 9 ILE HG13 H 1 1.061 0.04 . 2 . . . A 9 ILE HG13 . 11422 1 87 . 1 1 9 9 ILE HG21 H 1 0.816 0.04 . 1 . . . A 9 ILE HG21 . 11422 1 88 . 1 1 9 9 ILE HG22 H 1 0.816 0.04 . 1 . . . A 9 ILE HG22 . 11422 1 89 . 1 1 9 9 ILE HG23 H 1 0.816 0.04 . 1 . . . A 9 ILE HG23 . 11422 1 90 . 1 1 9 9 ILE HD11 H 1 0.707 0.04 . 1 . . . A 9 ILE HD11 . 11422 1 91 . 1 1 9 9 ILE HD12 H 1 0.707 0.04 . 1 . . . A 9 ILE HD12 . 11422 1 92 . 1 1 9 9 ILE HD13 H 1 0.707 0.04 . 1 . . . A 9 ILE HD13 . 11422 1 93 . 1 1 9 9 ILE C C 13 174.250 0.40 . 1 . . . A 9 ILE C . 11422 1 94 . 1 1 9 9 ILE CA C 13 60.218 0.40 . 1 . . . A 9 ILE CA . 11422 1 95 . 1 1 9 9 ILE CB C 13 39.862 0.40 . 1 . . . A 9 ILE CB . 11422 1 96 . 1 1 9 9 ILE CG1 C 13 27.278 0.40 . 1 . . . A 9 ILE CG1 . 11422 1 97 . 1 1 9 9 ILE CG2 C 13 17.502 0.40 . 1 . . . A 9 ILE CG2 . 11422 1 98 . 1 1 9 9 ILE CD1 C 13 12.791 0.40 . 1 . . . A 9 ILE CD1 . 11422 1 99 . 1 1 9 9 ILE N N 15 125.312 0.40 . 1 . . . A 9 ILE N . 11422 1 100 . 1 1 10 10 GLU H H 1 8.589 0.04 . 1 . . . A 10 GLU H . 11422 1 101 . 1 1 10 10 GLU HA H 1 5.161 0.04 . 1 . . . A 10 GLU HA . 11422 1 102 . 1 1 10 10 GLU HB2 H 1 2.035 0.04 . 2 . . . A 10 GLU HB2 . 11422 1 103 . 1 1 10 10 GLU HB3 H 1 2.039 0.04 . 2 . . . A 10 GLU HB3 . 11422 1 104 . 1 1 10 10 GLU HG2 H 1 2.178 0.04 . 2 . . . A 10 GLU HG2 . 11422 1 105 . 1 1 10 10 GLU HG3 H 1 2.345 0.04 . 2 . . . A 10 GLU HG3 . 11422 1 106 . 1 1 10 10 GLU C C 13 175.274 0.40 . 1 . . . A 10 GLU C . 11422 1 107 . 1 1 10 10 GLU CA C 13 55.620 0.40 . 1 . . . A 10 GLU CA . 11422 1 108 . 1 1 10 10 GLU CB C 13 31.486 0.40 . 1 . . . A 10 GLU CB . 11422 1 109 . 1 1 10 10 GLU CG C 13 36.802 0.40 . 1 . . . A 10 GLU CG . 11422 1 110 . 1 1 10 10 GLU N N 15 127.119 0.40 . 1 . . . A 10 GLU N . 11422 1 111 . 1 1 11 11 VAL H H 1 9.113 0.04 . 1 . . . A 11 VAL H . 11422 1 112 . 1 1 11 11 VAL HA H 1 4.663 0.04 . 1 . . . A 11 VAL HA . 11422 1 113 . 1 1 11 11 VAL HB H 1 1.707 0.04 . 1 . . . A 11 VAL HB . 11422 1 114 . 1 1 11 11 VAL HG11 H 1 0.769 0.04 . 2 . . . A 11 VAL HG11 . 11422 1 115 . 1 1 11 11 VAL HG12 H 1 0.769 0.04 . 2 . . . A 11 VAL HG12 . 11422 1 116 . 1 1 11 11 VAL HG13 H 1 0.769 0.04 . 2 . . . A 11 VAL HG13 . 11422 1 117 . 1 1 11 11 VAL HG21 H 1 0.720 0.04 . 2 . . . A 11 VAL HG21 . 11422 1 118 . 1 1 11 11 VAL HG22 H 1 0.720 0.04 . 2 . . . A 11 VAL HG22 . 11422 1 119 . 1 1 11 11 VAL HG23 H 1 0.720 0.04 . 2 . . . A 11 VAL HG23 . 11422 1 120 . 1 1 11 11 VAL C C 13 174.681 0.40 . 1 . . . A 11 VAL C . 11422 1 121 . 1 1 11 11 VAL CA C 13 60.489 0.40 . 1 . . . A 11 VAL CA . 11422 1 122 . 1 1 11 11 VAL CB C 13 36.113 0.40 . 1 . . . A 11 VAL CB . 11422 1 123 . 1 1 11 11 VAL CG1 C 13 22.324 0.40 . 2 . . . A 11 VAL CG1 . 11422 1 124 . 1 1 11 11 VAL CG2 C 13 21.890 0.40 . 2 . . . A 11 VAL CG2 . 11422 1 125 . 1 1 11 11 VAL N N 15 125.671 0.40 . 1 . . . A 11 VAL N . 11422 1 126 . 1 1 12 12 VAL H H 1 8.931 0.04 . 1 . . . A 12 VAL H . 11422 1 127 . 1 1 12 12 VAL HA H 1 5.694 0.04 . 1 . . . A 12 VAL HA . 11422 1 128 . 1 1 12 12 VAL HB H 1 2.037 0.04 . 1 . . . A 12 VAL HB . 11422 1 129 . 1 1 12 12 VAL HG11 H 1 1.073 0.04 . 2 . . . A 12 VAL HG11 . 11422 1 130 . 1 1 12 12 VAL HG12 H 1 1.073 0.04 . 2 . . . A 12 VAL HG12 . 11422 1 131 . 1 1 12 12 VAL HG13 H 1 1.073 0.04 . 2 . . . A 12 VAL HG13 . 11422 1 132 . 1 1 12 12 VAL HG21 H 1 0.855 0.04 . 2 . . . A 12 VAL HG21 . 11422 1 133 . 1 1 12 12 VAL HG22 H 1 0.855 0.04 . 2 . . . A 12 VAL HG22 . 11422 1 134 . 1 1 12 12 VAL HG23 H 1 0.855 0.04 . 2 . . . A 12 VAL HG23 . 11422 1 135 . 1 1 12 12 VAL C C 13 174.721 0.40 . 1 . . . A 12 VAL C . 11422 1 136 . 1 1 12 12 VAL CA C 13 58.359 0.40 . 1 . . . A 12 VAL CA . 11422 1 137 . 1 1 12 12 VAL CB C 13 35.733 0.40 . 1 . . . A 12 VAL CB . 11422 1 138 . 1 1 12 12 VAL CG1 C 13 22.242 0.40 . 2 . . . A 12 VAL CG1 . 11422 1 139 . 1 1 12 12 VAL CG2 C 13 19.029 0.40 . 2 . . . A 12 VAL CG2 . 11422 1 140 . 1 1 12 12 VAL N N 15 118.201 0.40 . 1 . . . A 12 VAL N . 11422 1 141 . 1 1 13 13 ALA H H 1 9.171 0.04 . 1 . . . A 13 ALA H . 11422 1 142 . 1 1 13 13 ALA HA H 1 4.819 0.04 . 1 . . . A 13 ALA HA . 11422 1 143 . 1 1 13 13 ALA HB1 H 1 1.153 0.04 . 1 . . . A 13 ALA HB1 . 11422 1 144 . 1 1 13 13 ALA HB2 H 1 1.153 0.04 . 1 . . . A 13 ALA HB2 . 11422 1 145 . 1 1 13 13 ALA HB3 H 1 1.153 0.04 . 1 . . . A 13 ALA HB3 . 11422 1 146 . 1 1 13 13 ALA C C 13 174.664 0.40 . 1 . . . A 13 ALA C . 11422 1 147 . 1 1 13 13 ALA CA C 13 50.347 0.40 . 1 . . . A 13 ALA CA . 11422 1 148 . 1 1 13 13 ALA CB C 13 22.858 0.40 . 1 . . . A 13 ALA CB . 11422 1 149 . 1 1 13 13 ALA N N 15 126.128 0.40 . 1 . . . A 13 ALA N . 11422 1 150 . 1 1 14 14 ALA H H 1 8.578 0.04 . 1 . . . A 14 ALA H . 11422 1 151 . 1 1 14 14 ALA HA H 1 5.012 0.04 . 1 . . . A 14 ALA HA . 11422 1 152 . 1 1 14 14 ALA HB1 H 1 1.223 0.04 . 1 . . . A 14 ALA HB1 . 11422 1 153 . 1 1 14 14 ALA HB2 H 1 1.223 0.04 . 1 . . . A 14 ALA HB2 . 11422 1 154 . 1 1 14 14 ALA HB3 H 1 1.223 0.04 . 1 . . . A 14 ALA HB3 . 11422 1 155 . 1 1 14 14 ALA C C 13 175.452 0.40 . 1 . . . A 14 ALA C . 11422 1 156 . 1 1 14 14 ALA CA C 13 49.833 0.40 . 1 . . . A 14 ALA CA . 11422 1 157 . 1 1 14 14 ALA CB C 13 23.572 0.40 . 1 . . . A 14 ALA CB . 11422 1 158 . 1 1 14 14 ALA N N 15 122.447 0.40 . 1 . . . A 14 ALA N . 11422 1 159 . 1 1 15 15 ILE H H 1 8.578 0.04 . 1 . . . A 15 ILE H . 11422 1 160 . 1 1 15 15 ILE HA H 1 3.491 0.04 . 1 . . . A 15 ILE HA . 11422 1 161 . 1 1 15 15 ILE HB H 1 1.104 0.04 . 1 . . . A 15 ILE HB . 11422 1 162 . 1 1 15 15 ILE HG12 H 1 -0.811 0.04 . 2 . . . A 15 ILE HG12 . 11422 1 163 . 1 1 15 15 ILE HG13 H 1 0.544 0.04 . 2 . . . A 15 ILE HG13 . 11422 1 164 . 1 1 15 15 ILE HG21 H 1 -0.496 0.04 . 1 . . . A 15 ILE HG21 . 11422 1 165 . 1 1 15 15 ILE HG22 H 1 -0.496 0.04 . 1 . . . A 15 ILE HG22 . 11422 1 166 . 1 1 15 15 ILE HG23 H 1 -0.496 0.04 . 1 . . . A 15 ILE HG23 . 11422 1 167 . 1 1 15 15 ILE HD11 H 1 -0.062 0.04 . 1 . . . A 15 ILE HD11 . 11422 1 168 . 1 1 15 15 ILE HD12 H 1 -0.062 0.04 . 1 . . . A 15 ILE HD12 . 11422 1 169 . 1 1 15 15 ILE HD13 H 1 -0.062 0.04 . 1 . . . A 15 ILE HD13 . 11422 1 170 . 1 1 15 15 ILE C C 13 174.167 0.40 . 1 . . . A 15 ILE C . 11422 1 171 . 1 1 15 15 ILE CA C 13 60.654 0.40 . 1 . . . A 15 ILE CA . 11422 1 172 . 1 1 15 15 ILE CB C 13 36.064 0.40 . 1 . . . A 15 ILE CB . 11422 1 173 . 1 1 15 15 ILE CG1 C 13 25.270 0.40 . 1 . . . A 15 ILE CG1 . 11422 1 174 . 1 1 15 15 ILE CG2 C 13 15.933 0.40 . 1 . . . A 15 ILE CG2 . 11422 1 175 . 1 1 15 15 ILE CD1 C 13 13.500 0.40 . 1 . . . A 15 ILE CD1 . 11422 1 176 . 1 1 15 15 ILE N N 15 124.539 0.40 . 1 . . . A 15 ILE N . 11422 1 177 . 1 1 16 16 ILE H H 1 8.919 0.04 . 1 . . . A 16 ILE H . 11422 1 178 . 1 1 16 16 ILE HA H 1 4.449 0.04 . 1 . . . A 16 ILE HA . 11422 1 179 . 1 1 16 16 ILE HB H 1 1.601 0.04 . 1 . . . A 16 ILE HB . 11422 1 180 . 1 1 16 16 ILE HG12 H 1 1.453 0.04 . 2 . . . A 16 ILE HG12 . 11422 1 181 . 1 1 16 16 ILE HG13 H 1 1.454 0.04 . 2 . . . A 16 ILE HG13 . 11422 1 182 . 1 1 16 16 ILE HG21 H 1 0.815 0.04 . 1 . . . A 16 ILE HG21 . 11422 1 183 . 1 1 16 16 ILE HG22 H 1 0.815 0.04 . 1 . . . A 16 ILE HG22 . 11422 1 184 . 1 1 16 16 ILE HG23 H 1 0.815 0.04 . 1 . . . A 16 ILE HG23 . 11422 1 185 . 1 1 16 16 ILE HD11 H 1 0.449 0.04 . 1 . . . A 16 ILE HD11 . 11422 1 186 . 1 1 16 16 ILE HD12 H 1 0.449 0.04 . 1 . . . A 16 ILE HD12 . 11422 1 187 . 1 1 16 16 ILE HD13 H 1 0.449 0.04 . 1 . . . A 16 ILE HD13 . 11422 1 188 . 1 1 16 16 ILE C C 13 174.190 0.40 . 1 . . . A 16 ILE C . 11422 1 189 . 1 1 16 16 ILE CA C 13 61.162 0.40 . 1 . . . A 16 ILE CA . 11422 1 190 . 1 1 16 16 ILE CB C 13 38.205 0.40 . 1 . . . A 16 ILE CB . 11422 1 191 . 1 1 16 16 ILE CG1 C 13 28.071 0.40 . 1 . . . A 16 ILE CG1 . 11422 1 192 . 1 1 16 16 ILE CG2 C 13 18.212 0.40 . 1 . . . A 16 ILE CG2 . 11422 1 193 . 1 1 16 16 ILE CD1 C 13 14.122 0.40 . 1 . . . A 16 ILE CD1 . 11422 1 194 . 1 1 16 16 ILE N N 15 130.136 0.40 . 1 . . . A 16 ILE N . 11422 1 195 . 1 1 17 17 GLU H H 1 7.884 0.04 . 1 . . . A 17 GLU H . 11422 1 196 . 1 1 17 17 GLU HA H 1 5.870 0.04 . 1 . . . A 17 GLU HA . 11422 1 197 . 1 1 17 17 GLU HB2 H 1 1.571 0.04 . 2 . . . A 17 GLU HB2 . 11422 1 198 . 1 1 17 17 GLU HB3 H 1 2.127 0.04 . 2 . . . A 17 GLU HB3 . 11422 1 199 . 1 1 17 17 GLU HG2 H 1 2.146 0.04 . 2 . . . A 17 GLU HG2 . 11422 1 200 . 1 1 17 17 GLU HG3 H 1 2.145 0.04 . 2 . . . A 17 GLU HG3 . 11422 1 201 . 1 1 17 17 GLU C C 13 175.058 0.40 . 1 . . . A 17 GLU C . 11422 1 202 . 1 1 17 17 GLU CA C 13 53.394 0.40 . 1 . . . A 17 GLU CA . 11422 1 203 . 1 1 17 17 GLU CB C 13 34.937 0.40 . 1 . . . A 17 GLU CB . 11422 1 204 . 1 1 17 17 GLU CG C 13 35.862 0.40 . 1 . . . A 17 GLU CG . 11422 1 205 . 1 1 17 17 GLU N N 15 128.829 0.40 . 1 . . . A 17 GLU N . 11422 1 206 . 1 1 18 18 ARG H H 1 9.094 0.04 . 1 . . . A 18 ARG H . 11422 1 207 . 1 1 18 18 ARG HA H 1 4.353 0.04 . 1 . . . A 18 ARG HA . 11422 1 208 . 1 1 18 18 ARG HB2 H 1 0.924 0.04 . 2 . . . A 18 ARG HB2 . 11422 1 209 . 1 1 18 18 ARG HB3 H 1 1.388 0.04 . 2 . . . A 18 ARG HB3 . 11422 1 210 . 1 1 18 18 ARG HG2 H 1 1.136 0.04 . 2 . . . A 18 ARG HG2 . 11422 1 211 . 1 1 18 18 ARG HG3 H 1 1.288 0.04 . 2 . . . A 18 ARG HG3 . 11422 1 212 . 1 1 18 18 ARG HD2 H 1 2.686 0.04 . 2 . . . A 18 ARG HD2 . 11422 1 213 . 1 1 18 18 ARG HD3 H 1 2.775 0.04 . 2 . . . A 18 ARG HD3 . 11422 1 214 . 1 1 18 18 ARG C C 13 175.749 0.40 . 1 . . . A 18 ARG C . 11422 1 215 . 1 1 18 18 ARG CA C 13 56.055 0.40 . 1 . . . A 18 ARG CA . 11422 1 216 . 1 1 18 18 ARG CB C 13 33.141 0.40 . 1 . . . A 18 ARG CB . 11422 1 217 . 1 1 18 18 ARG CG C 13 26.092 0.40 . 1 . . . A 18 ARG CG . 11422 1 218 . 1 1 18 18 ARG CD C 13 43.104 0.40 . 1 . . . A 18 ARG CD . 11422 1 219 . 1 1 18 18 ARG N N 15 126.992 0.40 . 1 . . . A 18 ARG N . 11422 1 220 . 1 1 19 19 ASP H H 1 9.506 0.04 . 1 . . . A 19 ASP H . 11422 1 221 . 1 1 19 19 ASP HA H 1 4.181 0.04 . 1 . . . A 19 ASP HA . 11422 1 222 . 1 1 19 19 ASP HB2 H 1 2.282 0.04 . 2 . . . A 19 ASP HB2 . 11422 1 223 . 1 1 19 19 ASP HB3 H 1 2.731 0.04 . 2 . . . A 19 ASP HB3 . 11422 1 224 . 1 1 19 19 ASP C C 13 175.701 0.40 . 1 . . . A 19 ASP C . 11422 1 225 . 1 1 19 19 ASP CA C 13 55.481 0.40 . 1 . . . A 19 ASP CA . 11422 1 226 . 1 1 19 19 ASP CB C 13 39.662 0.40 . 1 . . . A 19 ASP CB . 11422 1 227 . 1 1 19 19 ASP N N 15 129.899 0.40 . 1 . . . A 19 ASP N . 11422 1 228 . 1 1 20 20 GLY H H 1 8.762 0.04 . 1 . . . A 20 GLY H . 11422 1 229 . 1 1 20 20 GLY HA2 H 1 3.739 0.04 . 2 . . . A 20 GLY HA2 . 11422 1 230 . 1 1 20 20 GLY HA3 H 1 4.047 0.04 . 2 . . . A 20 GLY HA3 . 11422 1 231 . 1 1 20 20 GLY C C 13 174.126 0.40 . 1 . . . A 20 GLY C . 11422 1 232 . 1 1 20 20 GLY CA C 13 45.492 0.40 . 1 . . . A 20 GLY CA . 11422 1 233 . 1 1 20 20 GLY N N 15 104.046 0.40 . 1 . . . A 20 GLY N . 11422 1 234 . 1 1 21 21 LYS H H 1 7.851 0.04 . 1 . . . A 21 LYS H . 11422 1 235 . 1 1 21 21 LYS HA H 1 4.690 0.04 . 1 . . . A 21 LYS HA . 11422 1 236 . 1 1 21 21 LYS HB2 H 1 1.883 0.04 . 2 . . . A 21 LYS HB2 . 11422 1 237 . 1 1 21 21 LYS HB3 H 1 1.785 0.04 . 2 . . . A 21 LYS HB3 . 11422 1 238 . 1 1 21 21 LYS HG2 H 1 1.115 0.04 . 2 . . . A 21 LYS HG2 . 11422 1 239 . 1 1 21 21 LYS HG3 H 1 1.380 0.04 . 2 . . . A 21 LYS HG3 . 11422 1 240 . 1 1 21 21 LYS HD2 H 1 1.425 0.04 . 2 . . . A 21 LYS HD2 . 11422 1 241 . 1 1 21 21 LYS HD3 H 1 1.433 0.04 . 2 . . . A 21 LYS HD3 . 11422 1 242 . 1 1 21 21 LYS HE2 H 1 2.905 0.04 . 2 . . . A 21 LYS HE2 . 11422 1 243 . 1 1 21 21 LYS HE3 H 1 2.906 0.04 . 2 . . . A 21 LYS HE3 . 11422 1 244 . 1 1 21 21 LYS C C 13 174.427 0.40 . 1 . . . A 21 LYS C . 11422 1 245 . 1 1 21 21 LYS CA C 13 54.275 0.40 . 1 . . . A 21 LYS CA . 11422 1 246 . 1 1 21 21 LYS CB C 13 36.017 0.40 . 1 . . . A 21 LYS CB . 11422 1 247 . 1 1 21 21 LYS CG C 13 25.736 0.40 . 1 . . . A 21 LYS CG . 11422 1 248 . 1 1 21 21 LYS CD C 13 29.212 0.40 . 1 . . . A 21 LYS CD . 11422 1 249 . 1 1 21 21 LYS CE C 13 42.160 0.40 . 1 . . . A 21 LYS CE . 11422 1 250 . 1 1 21 21 LYS N N 15 121.455 0.40 . 1 . . . A 21 LYS N . 11422 1 251 . 1 1 22 22 ILE H H 1 9.404 0.04 . 1 . . . A 22 ILE H . 11422 1 252 . 1 1 22 22 ILE HA H 1 6.067 0.04 . 1 . . . A 22 ILE HA . 11422 1 253 . 1 1 22 22 ILE HB H 1 1.623 0.04 . 1 . . . A 22 ILE HB . 11422 1 254 . 1 1 22 22 ILE HG12 H 1 1.359 0.04 . 2 . . . A 22 ILE HG12 . 11422 1 255 . 1 1 22 22 ILE HG13 H 1 0.930 0.04 . 2 . . . A 22 ILE HG13 . 11422 1 256 . 1 1 22 22 ILE HG21 H 1 0.587 0.04 . 1 . . . A 22 ILE HG21 . 11422 1 257 . 1 1 22 22 ILE HG22 H 1 0.587 0.04 . 1 . . . A 22 ILE HG22 . 11422 1 258 . 1 1 22 22 ILE HG23 H 1 0.587 0.04 . 1 . . . A 22 ILE HG23 . 11422 1 259 . 1 1 22 22 ILE HD11 H 1 0.650 0.04 . 1 . . . A 22 ILE HD11 . 11422 1 260 . 1 1 22 22 ILE HD12 H 1 0.650 0.04 . 1 . . . A 22 ILE HD12 . 11422 1 261 . 1 1 22 22 ILE HD13 H 1 0.650 0.04 . 1 . . . A 22 ILE HD13 . 11422 1 262 . 1 1 22 22 ILE C C 13 175.067 0.40 . 1 . . . A 22 ILE C . 11422 1 263 . 1 1 22 22 ILE CA C 13 58.146 0.40 . 1 . . . A 22 ILE CA . 11422 1 264 . 1 1 22 22 ILE CB C 13 41.711 0.40 . 1 . . . A 22 ILE CB . 11422 1 265 . 1 1 22 22 ILE CG1 C 13 25.475 0.40 . 1 . . . A 22 ILE CG1 . 11422 1 266 . 1 1 22 22 ILE CG2 C 13 18.057 0.40 . 1 . . . A 22 ILE CG2 . 11422 1 267 . 1 1 22 22 ILE CD1 C 13 15.103 0.40 . 1 . . . A 22 ILE CD1 . 11422 1 268 . 1 1 22 22 ILE N N 15 113.560 0.40 . 1 . . . A 22 ILE N . 11422 1 269 . 1 1 23 23 LEU H H 1 7.225 0.04 . 1 . . . A 23 LEU H . 11422 1 270 . 1 1 23 23 LEU HA H 1 4.218 0.04 . 1 . . . A 23 LEU HA . 11422 1 271 . 1 1 23 23 LEU HB2 H 1 1.280 0.04 . 2 . . . A 23 LEU HB2 . 11422 1 272 . 1 1 23 23 LEU HB3 H 1 -0.240 0.04 . 2 . . . A 23 LEU HB3 . 11422 1 273 . 1 1 23 23 LEU HG H 1 0.756 0.04 . 1 . . . A 23 LEU HG . 11422 1 274 . 1 1 23 23 LEU HD11 H 1 0.267 0.04 . 2 . . . A 23 LEU HD11 . 11422 1 275 . 1 1 23 23 LEU HD12 H 1 0.267 0.04 . 2 . . . A 23 LEU HD12 . 11422 1 276 . 1 1 23 23 LEU HD13 H 1 0.267 0.04 . 2 . . . A 23 LEU HD13 . 11422 1 277 . 1 1 23 23 LEU HD21 H 1 -0.489 0.04 . 2 . . . A 23 LEU HD21 . 11422 1 278 . 1 1 23 23 LEU HD22 H 1 -0.489 0.04 . 2 . . . A 23 LEU HD22 . 11422 1 279 . 1 1 23 23 LEU HD23 H 1 -0.489 0.04 . 2 . . . A 23 LEU HD23 . 11422 1 280 . 1 1 23 23 LEU C C 13 176.955 0.40 . 1 . . . A 23 LEU C . 11422 1 281 . 1 1 23 23 LEU CA C 13 53.582 0.40 . 1 . . . A 23 LEU CA . 11422 1 282 . 1 1 23 23 LEU CB C 13 43.100 0.40 . 1 . . . A 23 LEU CB . 11422 1 283 . 1 1 23 23 LEU CG C 13 26.319 0.40 . 1 . . . A 23 LEU CG . 11422 1 284 . 1 1 23 23 LEU CD1 C 13 27.103 0.40 . 2 . . . A 23 LEU CD1 . 11422 1 285 . 1 1 23 23 LEU CD2 C 13 21.941 0.40 . 2 . . . A 23 LEU CD2 . 11422 1 286 . 1 1 23 23 LEU N N 15 122.559 0.40 . 1 . . . A 23 LEU N . 11422 1 287 . 1 1 24 24 LEU H H 1 8.987 0.04 . 1 . . . A 24 LEU H . 11422 1 288 . 1 1 24 24 LEU HA H 1 4.550 0.04 . 1 . . . A 24 LEU HA . 11422 1 289 . 1 1 24 24 LEU HB2 H 1 1.132 0.04 . 2 . . . A 24 LEU HB2 . 11422 1 290 . 1 1 24 24 LEU HB3 H 1 1.366 0.04 . 2 . . . A 24 LEU HB3 . 11422 1 291 . 1 1 24 24 LEU HG H 1 1.129 0.04 . 1 . . . A 24 LEU HG . 11422 1 292 . 1 1 24 24 LEU HD11 H 1 -0.103 0.04 . 2 . . . A 24 LEU HD11 . 11422 1 293 . 1 1 24 24 LEU HD12 H 1 -0.103 0.04 . 2 . . . A 24 LEU HD12 . 11422 1 294 . 1 1 24 24 LEU HD13 H 1 -0.103 0.04 . 2 . . . A 24 LEU HD13 . 11422 1 295 . 1 1 24 24 LEU HD21 H 1 0.249 0.04 . 2 . . . A 24 LEU HD21 . 11422 1 296 . 1 1 24 24 LEU HD22 H 1 0.249 0.04 . 2 . . . A 24 LEU HD22 . 11422 1 297 . 1 1 24 24 LEU HD23 H 1 0.249 0.04 . 2 . . . A 24 LEU HD23 . 11422 1 298 . 1 1 24 24 LEU C C 13 174.606 0.40 . 1 . . . A 24 LEU C . 11422 1 299 . 1 1 24 24 LEU CA C 13 53.194 0.40 . 1 . . . A 24 LEU CA . 11422 1 300 . 1 1 24 24 LEU CB C 13 45.903 0.40 . 1 . . . A 24 LEU CB . 11422 1 301 . 1 1 24 24 LEU CG C 13 26.763 0.40 . 1 . . . A 24 LEU CG . 11422 1 302 . 1 1 24 24 LEU CD1 C 13 25.465 0.40 . 2 . . . A 24 LEU CD1 . 11422 1 303 . 1 1 24 24 LEU CD2 C 13 23.138 0.40 . 2 . . . A 24 LEU CD2 . 11422 1 304 . 1 1 24 24 LEU N N 15 127.966 0.40 . 1 . . . A 24 LEU N . 11422 1 305 . 1 1 25 25 ALA H H 1 8.644 0.04 . 1 . . . A 25 ALA H . 11422 1 306 . 1 1 25 25 ALA HA H 1 5.153 0.04 . 1 . . . A 25 ALA HA . 11422 1 307 . 1 1 25 25 ALA HB1 H 1 0.279 0.04 . 1 . . . A 25 ALA HB1 . 11422 1 308 . 1 1 25 25 ALA HB2 H 1 0.279 0.04 . 1 . . . A 25 ALA HB2 . 11422 1 309 . 1 1 25 25 ALA HB3 H 1 0.279 0.04 . 1 . . . A 25 ALA HB3 . 11422 1 310 . 1 1 25 25 ALA C C 13 175.898 0.40 . 1 . . . A 25 ALA C . 11422 1 311 . 1 1 25 25 ALA CA C 13 49.966 0.40 . 1 . . . A 25 ALA CA . 11422 1 312 . 1 1 25 25 ALA CB C 13 20.356 0.40 . 1 . . . A 25 ALA CB . 11422 1 313 . 1 1 25 25 ALA N N 15 124.146 0.40 . 1 . . . A 25 ALA N . 11422 1 314 . 1 1 26 26 GLN H H 1 8.382 0.04 . 1 . . . A 26 GLN H . 11422 1 315 . 1 1 26 26 GLN HA H 1 3.649 0.04 . 1 . . . A 26 GLN HA . 11422 1 316 . 1 1 26 26 GLN HB2 H 1 -1.130 0.04 . 2 . . . A 26 GLN HB2 . 11422 1 317 . 1 1 26 26 GLN HB3 H 1 1.045 0.04 . 2 . . . A 26 GLN HB3 . 11422 1 318 . 1 1 26 26 GLN HG2 H 1 0.309 0.04 . 2 . . . A 26 GLN HG2 . 11422 1 319 . 1 1 26 26 GLN HG3 H 1 1.585 0.04 . 2 . . . A 26 GLN HG3 . 11422 1 320 . 1 1 26 26 GLN C C 13 176.148 0.40 . 1 . . . A 26 GLN C . 11422 1 321 . 1 1 26 26 GLN CA C 13 55.695 0.40 . 1 . . . A 26 GLN CA . 11422 1 322 . 1 1 26 26 GLN CB C 13 27.622 0.40 . 1 . . . A 26 GLN CB . 11422 1 323 . 1 1 26 26 GLN CG C 13 32.583 0.40 . 1 . . . A 26 GLN CG . 11422 1 324 . 1 1 26 26 GLN N N 15 126.798 0.40 . 1 . . . A 26 GLN N . 11422 1 325 . 1 1 27 27 ARG H H 1 9.113 0.04 . 1 . . . A 27 ARG H . 11422 1 326 . 1 1 27 27 ARG HA H 1 4.057 0.04 . 1 . . . A 27 ARG HA . 11422 1 327 . 1 1 27 27 ARG C C 13 174.401 0.40 . 1 . . . A 27 ARG C . 11422 1 328 . 1 1 27 27 ARG CA C 13 56.057 0.40 . 1 . . . A 27 ARG CA . 11422 1 329 . 1 1 27 27 ARG CB C 13 27.797 0.40 . 1 . . . A 27 ARG CB . 11422 1 330 . 1 1 27 27 ARG N N 15 130.901 0.40 . 1 . . . A 27 ARG N . 11422 1 331 . 1 1 28 28 PRO HA H 1 4.232 0.04 . 1 . . . A 28 PRO HA . 11422 1 332 . 1 1 28 28 PRO HB2 H 1 2.168 0.04 . 2 . . . A 28 PRO HB2 . 11422 1 333 . 1 1 28 28 PRO HB3 H 1 1.955 0.04 . 2 . . . A 28 PRO HB3 . 11422 1 334 . 1 1 28 28 PRO HG2 H 1 1.743 0.04 . 2 . . . A 28 PRO HG2 . 11422 1 335 . 1 1 28 28 PRO HG3 H 1 1.834 0.04 . 2 . . . A 28 PRO HG3 . 11422 1 336 . 1 1 28 28 PRO HD2 H 1 3.381 0.04 . 2 . . . A 28 PRO HD2 . 11422 1 337 . 1 1 28 28 PRO HD3 H 1 3.426 0.04 . 2 . . . A 28 PRO HD3 . 11422 1 338 . 1 1 28 28 PRO C C 13 175.854 0.40 . 1 . . . A 28 PRO C . 11422 1 339 . 1 1 28 28 PRO CA C 13 62.802 0.40 . 1 . . . A 28 PRO CA . 11422 1 340 . 1 1 28 28 PRO CB C 13 32.618 0.40 . 1 . . . A 28 PRO CB . 11422 1 341 . 1 1 28 28 PRO CG C 13 27.314 0.40 . 1 . . . A 28 PRO CG . 11422 1 342 . 1 1 28 28 PRO CD C 13 50.805 0.40 . 1 . . . A 28 PRO CD . 11422 1 343 . 1 1 29 29 ALA H H 1 8.351 0.04 . 1 . . . A 29 ALA H . 11422 1 344 . 1 1 29 29 ALA HA H 1 3.929 0.04 . 1 . . . A 29 ALA HA . 11422 1 345 . 1 1 29 29 ALA HB1 H 1 1.259 0.04 . 1 . . . A 29 ALA HB1 . 11422 1 346 . 1 1 29 29 ALA HB2 H 1 1.259 0.04 . 1 . . . A 29 ALA HB2 . 11422 1 347 . 1 1 29 29 ALA HB3 H 1 1.259 0.04 . 1 . . . A 29 ALA HB3 . 11422 1 348 . 1 1 29 29 ALA C C 13 177.799 0.40 . 1 . . . A 29 ALA C . 11422 1 349 . 1 1 29 29 ALA CA C 13 53.656 0.40 . 1 . . . A 29 ALA CA . 11422 1 350 . 1 1 29 29 ALA CB C 13 19.007 0.40 . 1 . . . A 29 ALA CB . 11422 1 351 . 1 1 29 29 ALA N N 15 122.942 0.40 . 1 . . . A 29 ALA N . 11422 1 352 . 1 1 30 30 GLN H H 1 8.190 0.04 . 1 . . . A 30 GLN H . 11422 1 353 . 1 1 30 30 GLN HA H 1 4.239 0.04 . 1 . . . A 30 GLN HA . 11422 1 354 . 1 1 30 30 GLN HB2 H 1 1.931 0.04 . 2 . . . A 30 GLN HB2 . 11422 1 355 . 1 1 30 30 GLN HB3 H 1 1.923 0.04 . 2 . . . A 30 GLN HB3 . 11422 1 356 . 1 1 30 30 GLN HG2 H 1 2.219 0.04 . 2 . . . A 30 GLN HG2 . 11422 1 357 . 1 1 30 30 GLN HG3 H 1 2.224 0.04 . 2 . . . A 30 GLN HG3 . 11422 1 358 . 1 1 30 30 GLN C C 13 175.539 0.40 . 1 . . . A 30 GLN C . 11422 1 359 . 1 1 30 30 GLN CA C 13 55.737 0.40 . 1 . . . A 30 GLN CA . 11422 1 360 . 1 1 30 30 GLN CB C 13 28.324 0.40 . 1 . . . A 30 GLN CB . 11422 1 361 . 1 1 30 30 GLN CG C 13 33.665 0.40 . 1 . . . A 30 GLN CG . 11422 1 362 . 1 1 30 30 GLN N N 15 115.534 0.40 . 1 . . . A 30 GLN N . 11422 1 363 . 1 1 31 31 SER H H 1 7.595 0.04 . 1 . . . A 31 SER H . 11422 1 364 . 1 1 31 31 SER HA H 1 4.298 0.04 . 1 . . . A 31 SER HA . 11422 1 365 . 1 1 31 31 SER HB2 H 1 3.716 0.04 . 2 . . . A 31 SER HB2 . 11422 1 366 . 1 1 31 31 SER HB3 H 1 3.719 0.04 . 2 . . . A 31 SER HB3 . 11422 1 367 . 1 1 31 31 SER C C 13 174.238 0.40 . 1 . . . A 31 SER C . 11422 1 368 . 1 1 31 31 SER CA C 13 58.174 0.40 . 1 . . . A 31 SER CA . 11422 1 369 . 1 1 31 31 SER CB C 13 64.415 0.40 . 1 . . . A 31 SER CB . 11422 1 370 . 1 1 31 31 SER N N 15 115.869 0.40 . 1 . . . A 31 SER N . 11422 1 371 . 1 1 32 32 ASP H H 1 8.384 0.04 . 1 . . . A 32 ASP H . 11422 1 372 . 1 1 32 32 ASP HA H 1 4.415 0.04 . 1 . . . A 32 ASP HA . 11422 1 373 . 1 1 32 32 ASP HB2 H 1 2.487 0.04 . 2 . . . A 32 ASP HB2 . 11422 1 374 . 1 1 32 32 ASP HB3 H 1 2.572 0.04 . 2 . . . A 32 ASP HB3 . 11422 1 375 . 1 1 32 32 ASP C C 13 176.532 0.40 . 1 . . . A 32 ASP C . 11422 1 376 . 1 1 32 32 ASP CA C 13 54.933 0.40 . 1 . . . A 32 ASP CA . 11422 1 377 . 1 1 32 32 ASP CB C 13 40.664 0.40 . 1 . . . A 32 ASP CB . 11422 1 378 . 1 1 32 32 ASP N N 15 120.563 0.40 . 1 . . . A 32 ASP N . 11422 1 379 . 1 1 33 33 GLN H H 1 8.439 0.04 . 1 . . . A 33 GLN H . 11422 1 380 . 1 1 33 33 GLN HA H 1 3.941 0.04 . 1 . . . A 33 GLN HA . 11422 1 381 . 1 1 33 33 GLN HB2 H 1 1.957 0.04 . 2 . . . A 33 GLN HB2 . 11422 1 382 . 1 1 33 33 GLN HB3 H 1 2.083 0.04 . 2 . . . A 33 GLN HB3 . 11422 1 383 . 1 1 33 33 GLN HG2 H 1 2.204 0.04 . 2 . . . A 33 GLN HG2 . 11422 1 384 . 1 1 33 33 GLN HG3 H 1 2.104 0.04 . 2 . . . A 33 GLN HG3 . 11422 1 385 . 1 1 33 33 GLN C C 13 174.351 0.40 . 1 . . . A 33 GLN C . 11422 1 386 . 1 1 33 33 GLN CA C 13 56.130 0.40 . 1 . . . A 33 GLN CA . 11422 1 387 . 1 1 33 33 GLN CB C 13 27.861 0.40 . 1 . . . A 33 GLN CB . 11422 1 388 . 1 1 33 33 GLN CG C 13 34.551 0.40 . 1 . . . A 33 GLN CG . 11422 1 389 . 1 1 33 33 GLN N N 15 119.908 0.40 . 1 . . . A 33 GLN N . 11422 1 390 . 1 1 34 34 ALA H H 1 7.397 0.04 . 1 . . . A 34 ALA H . 11422 1 391 . 1 1 34 34 ALA HA H 1 3.703 0.04 . 1 . . . A 34 ALA HA . 11422 1 392 . 1 1 34 34 ALA HB1 H 1 1.293 0.04 . 1 . . . A 34 ALA HB1 . 11422 1 393 . 1 1 34 34 ALA HB2 H 1 1.293 0.04 . 1 . . . A 34 ALA HB2 . 11422 1 394 . 1 1 34 34 ALA HB3 H 1 1.293 0.04 . 1 . . . A 34 ALA HB3 . 11422 1 395 . 1 1 34 34 ALA C C 13 179.107 0.40 . 1 . . . A 34 ALA C . 11422 1 396 . 1 1 34 34 ALA CA C 13 52.965 0.40 . 1 . . . A 34 ALA CA . 11422 1 397 . 1 1 34 34 ALA CB C 13 19.717 0.40 . 1 . . . A 34 ALA CB . 11422 1 398 . 1 1 34 34 ALA N N 15 121.400 0.40 . 1 . . . A 34 ALA N . 11422 1 399 . 1 1 35 35 GLY H H 1 7.485 0.04 . 1 . . . A 35 GLY H . 11422 1 400 . 1 1 35 35 GLY HA2 H 1 3.387 0.04 . 2 . . . A 35 GLY HA2 . 11422 1 401 . 1 1 35 35 GLY HA3 H 1 3.787 0.04 . 2 . . . A 35 GLY HA3 . 11422 1 402 . 1 1 35 35 GLY C C 13 173.819 0.40 . 1 . . . A 35 GLY C . 11422 1 403 . 1 1 35 35 GLY CA C 13 45.432 0.40 . 1 . . . A 35 GLY CA . 11422 1 404 . 1 1 35 35 GLY N N 15 108.556 0.40 . 1 . . . A 35 GLY N . 11422 1 405 . 1 1 36 36 LEU H H 1 7.478 0.04 . 1 . . . A 36 LEU H . 11422 1 406 . 1 1 36 36 LEU HA H 1 4.674 0.04 . 1 . . . A 36 LEU HA . 11422 1 407 . 1 1 36 36 LEU HB2 H 1 1.569 0.04 . 2 . . . A 36 LEU HB2 . 11422 1 408 . 1 1 36 36 LEU HB3 H 1 1.345 0.04 . 2 . . . A 36 LEU HB3 . 11422 1 409 . 1 1 36 36 LEU HG H 1 1.347 0.04 . 1 . . . A 36 LEU HG . 11422 1 410 . 1 1 36 36 LEU HD11 H 1 0.789 0.04 . 2 . . . A 36 LEU HD11 . 11422 1 411 . 1 1 36 36 LEU HD12 H 1 0.789 0.04 . 2 . . . A 36 LEU HD12 . 11422 1 412 . 1 1 36 36 LEU HD13 H 1 0.789 0.04 . 2 . . . A 36 LEU HD13 . 11422 1 413 . 1 1 36 36 LEU HD21 H 1 0.684 0.04 . 2 . . . A 36 LEU HD21 . 11422 1 414 . 1 1 36 36 LEU HD22 H 1 0.684 0.04 . 2 . . . A 36 LEU HD22 . 11422 1 415 . 1 1 36 36 LEU HD23 H 1 0.684 0.04 . 2 . . . A 36 LEU HD23 . 11422 1 416 . 1 1 36 36 LEU C C 13 175.936 0.40 . 1 . . . A 36 LEU C . 11422 1 417 . 1 1 36 36 LEU CA C 13 54.304 0.40 . 1 . . . A 36 LEU CA . 11422 1 418 . 1 1 36 36 LEU CB C 13 42.007 0.40 . 1 . . . A 36 LEU CB . 11422 1 419 . 1 1 36 36 LEU CG C 13 22.521 0.40 . 1 . . . A 36 LEU CG . 11422 1 420 . 1 1 36 36 LEU CD1 C 13 26.014 0.40 . 2 . . . A 36 LEU CD1 . 11422 1 421 . 1 1 36 36 LEU CD2 C 13 22.471 0.40 . 2 . . . A 36 LEU CD2 . 11422 1 422 . 1 1 36 36 LEU N N 15 121.540 0.40 . 1 . . . A 36 LEU N . 11422 1 423 . 1 1 37 37 TRP H H 1 8.693 0.04 . 1 . . . A 37 TRP H . 11422 1 424 . 1 1 37 37 TRP HA H 1 4.746 0.04 . 1 . . . A 37 TRP HA . 11422 1 425 . 1 1 37 37 TRP HB2 H 1 2.714 0.04 . 2 . . . A 37 TRP HB2 . 11422 1 426 . 1 1 37 37 TRP HB3 H 1 2.748 0.04 . 2 . . . A 37 TRP HB3 . 11422 1 427 . 1 1 37 37 TRP HE1 H 1 10.554 0.04 . 1 . . . A 37 TRP HE1 . 11422 1 428 . 1 1 37 37 TRP C C 13 174.843 0.40 . 1 . . . A 37 TRP C . 11422 1 429 . 1 1 37 37 TRP CA C 13 56.503 0.40 . 1 . . . A 37 TRP CA . 11422 1 430 . 1 1 37 37 TRP CB C 13 30.552 0.40 . 1 . . . A 37 TRP CB . 11422 1 431 . 1 1 37 37 TRP N N 15 122.442 0.40 . 1 . . . A 37 TRP N . 11422 1 432 . 1 1 37 37 TRP NE1 N 15 130.693 0.40 . 1 . . . . 37 TRP NE1 . 11422 1 433 . 1 1 38 38 GLU H H 1 9.295 0.04 . 1 . . . A 38 GLU H . 11422 1 434 . 1 1 38 38 GLU HA H 1 4.987 0.04 . 1 . . . A 38 GLU HA . 11422 1 435 . 1 1 38 38 GLU HB2 H 1 1.631 0.04 . 2 . . . A 38 GLU HB2 . 11422 1 436 . 1 1 38 38 GLU HB3 H 1 2.112 0.04 . 2 . . . A 38 GLU HB3 . 11422 1 437 . 1 1 38 38 GLU C C 13 175.418 0.40 . 1 . . . A 38 GLU C . 11422 1 438 . 1 1 38 38 GLU CA C 13 52.667 0.40 . 1 . . . A 38 GLU CA . 11422 1 439 . 1 1 38 38 GLU CB C 13 34.364 0.40 . 1 . . . A 38 GLU CB . 11422 1 440 . 1 1 38 38 GLU N N 15 117.910 0.40 . 1 . . . A 38 GLU N . 11422 1 441 . 1 1 39 39 PHE H H 1 7.222 0.04 . 1 . . . A 39 PHE H . 11422 1 442 . 1 1 39 39 PHE HA H 1 5.105 0.04 . 1 . . . A 39 PHE HA . 11422 1 443 . 1 1 39 39 PHE HB2 H 1 2.455 0.04 . 2 . . . A 39 PHE HB2 . 11422 1 444 . 1 1 39 39 PHE HB3 H 1 3.552 0.04 . 2 . . . A 39 PHE HB3 . 11422 1 445 . 1 1 39 39 PHE C C 13 175.874 0.40 . 1 . . . A 39 PHE C . 11422 1 446 . 1 1 39 39 PHE CA C 13 54.319 0.40 . 1 . . . A 39 PHE CA . 11422 1 447 . 1 1 39 39 PHE CB C 13 38.334 0.40 . 1 . . . A 39 PHE CB . 11422 1 448 . 1 1 39 39 PHE N N 15 118.575 0.40 . 1 . . . A 39 PHE N . 11422 1 449 . 1 1 40 40 ALA H H 1 8.681 0.04 . 1 . . . A 40 ALA H . 11422 1 450 . 1 1 40 40 ALA HA H 1 4.126 0.04 . 1 . . . A 40 ALA HA . 11422 1 451 . 1 1 40 40 ALA HB1 H 1 1.105 0.04 . 1 . . . A 40 ALA HB1 . 11422 1 452 . 1 1 40 40 ALA HB2 H 1 1.105 0.04 . 1 . . . A 40 ALA HB2 . 11422 1 453 . 1 1 40 40 ALA HB3 H 1 1.105 0.04 . 1 . . . A 40 ALA HB3 . 11422 1 454 . 1 1 40 40 ALA C C 13 174.653 0.40 . 1 . . . A 40 ALA C . 11422 1 455 . 1 1 40 40 ALA CA C 13 52.203 0.40 . 1 . . . A 40 ALA CA . 11422 1 456 . 1 1 40 40 ALA CB C 13 18.901 0.40 . 1 . . . A 40 ALA CB . 11422 1 457 . 1 1 40 40 ALA N N 15 127.996 0.40 . 1 . . . A 40 ALA N . 11422 1 458 . 1 1 41 41 GLY H H 1 7.991 0.04 . 1 . . . A 41 GLY H . 11422 1 459 . 1 1 41 41 GLY HA2 H 1 4.817 0.04 . 2 . . . A 41 GLY HA2 . 11422 1 460 . 1 1 41 41 GLY HA3 H 1 3.248 0.04 . 2 . . . A 41 GLY HA3 . 11422 1 461 . 1 1 41 41 GLY C C 13 172.371 0.40 . 1 . . . A 41 GLY C . 11422 1 462 . 1 1 41 41 GLY CA C 13 45.125 0.40 . 1 . . . A 41 GLY CA . 11422 1 463 . 1 1 41 41 GLY N N 15 106.236 0.40 . 1 . . . A 41 GLY N . 11422 1 464 . 1 1 42 42 GLY H H 1 8.083 0.04 . 1 . . . A 42 GLY H . 11422 1 465 . 1 1 42 42 GLY HA2 H 1 3.924 0.04 . 2 . . . A 42 GLY HA2 . 11422 1 466 . 1 1 42 42 GLY HA3 H 1 4.198 0.04 . 2 . . . A 42 GLY HA3 . 11422 1 467 . 1 1 42 42 GLY C C 13 171.441 0.40 . 1 . . . A 42 GLY C . 11422 1 468 . 1 1 42 42 GLY CA C 13 45.626 0.40 . 1 . . . A 42 GLY CA . 11422 1 469 . 1 1 42 42 GLY N N 15 107.028 0.40 . 1 . . . A 42 GLY N . 11422 1 470 . 1 1 43 43 LYS H H 1 8.322 0.04 . 1 . . . A 43 LYS H . 11422 1 471 . 1 1 43 43 LYS HA H 1 4.469 0.04 . 1 . . . A 43 LYS HA . 11422 1 472 . 1 1 43 43 LYS HB2 H 1 1.719 0.04 . 2 . . . A 43 LYS HB2 . 11422 1 473 . 1 1 43 43 LYS HB3 H 1 1.719 0.04 . 2 . . . A 43 LYS HB3 . 11422 1 474 . 1 1 43 43 LYS HG2 H 1 1.308 0.04 . 2 . . . A 43 LYS HG2 . 11422 1 475 . 1 1 43 43 LYS HG3 H 1 1.408 0.04 . 2 . . . A 43 LYS HG3 . 11422 1 476 . 1 1 43 43 LYS HD2 H 1 1.620 0.04 . 2 . . . A 43 LYS HD2 . 11422 1 477 . 1 1 43 43 LYS HD3 H 1 1.618 0.04 . 2 . . . A 43 LYS HD3 . 11422 1 478 . 1 1 43 43 LYS HE2 H 1 2.891 0.04 . 2 . . . A 43 LYS HE2 . 11422 1 479 . 1 1 43 43 LYS HE3 H 1 2.890 0.04 . 2 . . . A 43 LYS HE3 . 11422 1 480 . 1 1 43 43 LYS C C 13 175.278 0.40 . 1 . . . A 43 LYS C . 11422 1 481 . 1 1 43 43 LYS CA C 13 57.156 0.40 . 1 . . . A 43 LYS CA . 11422 1 482 . 1 1 43 43 LYS CB C 13 33.360 0.40 . 1 . . . A 43 LYS CB . 11422 1 483 . 1 1 43 43 LYS CG C 13 24.892 0.40 . 1 . . . A 43 LYS CG . 11422 1 484 . 1 1 43 43 LYS CD C 13 29.680 0.40 . 1 . . . A 43 LYS CD . 11422 1 485 . 1 1 43 43 LYS CE C 13 41.702 0.40 . 1 . . . A 43 LYS CE . 11422 1 486 . 1 1 43 43 LYS N N 15 120.569 0.40 . 1 . . . A 43 LYS N . 11422 1 487 . 1 1 44 44 VAL H H 1 8.023 0.04 . 1 . . . A 44 VAL H . 11422 1 488 . 1 1 44 44 VAL HA H 1 3.833 0.04 . 1 . . . A 44 VAL HA . 11422 1 489 . 1 1 44 44 VAL HB H 1 1.852 0.04 . 1 . . . A 44 VAL HB . 11422 1 490 . 1 1 44 44 VAL HG11 H 1 0.816 0.04 . 1 . . . A 44 VAL HG11 . 11422 1 491 . 1 1 44 44 VAL HG12 H 1 0.816 0.04 . 1 . . . A 44 VAL HG12 . 11422 1 492 . 1 1 44 44 VAL HG13 H 1 0.816 0.04 . 1 . . . A 44 VAL HG13 . 11422 1 493 . 1 1 44 44 VAL HG21 H 1 0.882 0.04 . 1 . . . A 44 VAL HG21 . 11422 1 494 . 1 1 44 44 VAL HG22 H 1 0.882 0.04 . 1 . . . A 44 VAL HG22 . 11422 1 495 . 1 1 44 44 VAL HG23 H 1 0.882 0.04 . 1 . . . A 44 VAL HG23 . 11422 1 496 . 1 1 44 44 VAL C C 13 177.076 0.40 . 1 . . . A 44 VAL C . 11422 1 497 . 1 1 44 44 VAL CA C 13 61.722 0.40 . 1 . . . A 44 VAL CA . 11422 1 498 . 1 1 44 44 VAL CB C 13 32.893 0.40 . 1 . . . A 44 VAL CB . 11422 1 499 . 1 1 44 44 VAL CG1 C 13 23.213 0.40 . 2 . . . A 44 VAL CG1 . 11422 1 500 . 1 1 44 44 VAL CG2 C 13 21.601 0.40 . 2 . . . A 44 VAL CG2 . 11422 1 501 . 1 1 44 44 VAL N N 15 123.300 0.40 . 1 . . . A 44 VAL N . 11422 1 502 . 1 1 45 45 GLU H H 1 9.185 0.04 . 1 . . . A 45 GLU H . 11422 1 503 . 1 1 45 45 GLU HA H 1 4.491 0.04 . 1 . . . A 45 GLU HA . 11422 1 504 . 1 1 45 45 GLU C C 13 175.265 0.40 . 1 . . . A 45 GLU C . 11422 1 505 . 1 1 45 45 GLU CA C 13 55.377 0.40 . 1 . . . A 45 GLU CA . 11422 1 506 . 1 1 45 45 GLU CB C 13 27.831 0.40 . 1 . . . A 45 GLU CB . 11422 1 507 . 1 1 45 45 GLU N N 15 131.029 0.40 . 1 . . . A 45 GLU N . 11422 1 508 . 1 1 46 46 PRO HA H 1 4.224 0.04 . 1 . . . A 46 PRO HA . 11422 1 509 . 1 1 46 46 PRO HB2 H 1 1.766 0.04 . 2 . . . A 46 PRO HB2 . 11422 1 510 . 1 1 46 46 PRO HB3 H 1 2.242 0.04 . 2 . . . A 46 PRO HB3 . 11422 1 511 . 1 1 46 46 PRO HG2 H 1 1.978 0.04 . 2 . . . A 46 PRO HG2 . 11422 1 512 . 1 1 46 46 PRO HG3 H 1 2.016 0.04 . 2 . . . A 46 PRO HG3 . 11422 1 513 . 1 1 46 46 PRO HD2 H 1 3.701 0.04 . 2 . . . A 46 PRO HD2 . 11422 1 514 . 1 1 46 46 PRO HD3 H 1 3.701 0.04 . 2 . . . A 46 PRO HD3 . 11422 1 515 . 1 1 46 46 PRO C C 13 177.031 0.40 . 1 . . . A 46 PRO C . 11422 1 516 . 1 1 46 46 PRO CA C 13 64.907 0.40 . 1 . . . A 46 PRO CA . 11422 1 517 . 1 1 46 46 PRO CB C 13 31.841 0.40 . 1 . . . A 46 PRO CB . 11422 1 518 . 1 1 46 46 PRO CG C 13 27.805 0.40 . 1 . . . A 46 PRO CG . 11422 1 519 . 1 1 46 46 PRO CD C 13 50.398 0.40 . 1 . . . A 46 PRO CD . 11422 1 520 . 1 1 47 47 ASP H H 1 8.279 0.04 . 1 . . . A 47 ASP H . 11422 1 521 . 1 1 47 47 ASP HA H 1 4.393 0.04 . 1 . . . A 47 ASP HA . 11422 1 522 . 1 1 47 47 ASP HB2 H 1 2.651 0.04 . 2 . . . A 47 ASP HB2 . 11422 1 523 . 1 1 47 47 ASP HB3 H 1 2.729 0.04 . 2 . . . A 47 ASP HB3 . 11422 1 524 . 1 1 47 47 ASP C C 13 174.906 0.40 . 1 . . . A 47 ASP C . 11422 1 525 . 1 1 47 47 ASP CA C 13 54.479 0.40 . 1 . . . A 47 ASP CA . 11422 1 526 . 1 1 47 47 ASP CB C 13 39.988 0.40 . 1 . . . A 47 ASP CB . 11422 1 527 . 1 1 47 47 ASP N N 15 115.661 0.40 . 1 . . . A 47 ASP N . 11422 1 528 . 1 1 48 48 GLU H H 1 7.660 0.04 . 1 . . . A 48 GLU H . 11422 1 529 . 1 1 48 48 GLU HA H 1 4.540 0.04 . 1 . . . A 48 GLU HA . 11422 1 530 . 1 1 48 48 GLU HB2 H 1 1.981 0.04 . 2 . . . A 48 GLU HB2 . 11422 1 531 . 1 1 48 48 GLU HB3 H 1 1.968 0.04 . 2 . . . A 48 GLU HB3 . 11422 1 532 . 1 1 48 48 GLU HG2 H 1 2.115 0.04 . 2 . . . A 48 GLU HG2 . 11422 1 533 . 1 1 48 48 GLU HG3 H 1 2.234 0.04 . 2 . . . A 48 GLU HG3 . 11422 1 534 . 1 1 48 48 GLU C C 13 175.541 0.40 . 1 . . . A 48 GLU C . 11422 1 535 . 1 1 48 48 GLU CA C 13 54.888 0.40 . 1 . . . A 48 GLU CA . 11422 1 536 . 1 1 48 48 GLU CB C 13 32.724 0.40 . 1 . . . A 48 GLU CB . 11422 1 537 . 1 1 48 48 GLU CG C 13 36.304 0.40 . 1 . . . A 48 GLU CG . 11422 1 538 . 1 1 48 48 GLU N N 15 120.180 0.40 . 1 . . . A 48 GLU N . 11422 1 539 . 1 1 49 49 SER H H 1 8.294 0.04 . 1 . . . A 49 SER H . 11422 1 540 . 1 1 49 49 SER HA H 1 4.544 0.04 . 1 . . . A 49 SER HA . 11422 1 541 . 1 1 49 49 SER HB2 H 1 3.789 0.04 . 2 . . . A 49 SER HB2 . 11422 1 542 . 1 1 49 49 SER HB3 H 1 4.245 0.04 . 2 . . . A 49 SER HB3 . 11422 1 543 . 1 1 49 49 SER C C 13 175.392 0.40 . 1 . . . A 49 SER C . 11422 1 544 . 1 1 49 49 SER CA C 13 56.202 0.40 . 1 . . . A 49 SER CA . 11422 1 545 . 1 1 49 49 SER CB C 13 65.267 0.40 . 1 . . . A 49 SER CB . 11422 1 546 . 1 1 49 49 SER N N 15 116.794 0.40 . 1 . . . A 49 SER N . 11422 1 547 . 1 1 50 50 GLN H H 1 8.767 0.04 . 1 . . . A 50 GLN H . 11422 1 548 . 1 1 50 50 GLN HA H 1 3.604 0.04 . 1 . . . A 50 GLN HA . 11422 1 549 . 1 1 50 50 GLN HB2 H 1 1.893 0.04 . 2 . . . A 50 GLN HB2 . 11422 1 550 . 1 1 50 50 GLN HB3 H 1 1.890 0.04 . 2 . . . A 50 GLN HB3 . 11422 1 551 . 1 1 50 50 GLN HG2 H 1 1.931 0.04 . 2 . . . A 50 GLN HG2 . 11422 1 552 . 1 1 50 50 GLN HG3 H 1 2.550 0.04 . 2 . . . A 50 GLN HG3 . 11422 1 553 . 1 1 50 50 GLN C C 13 177.744 0.40 . 1 . . . A 50 GLN C . 11422 1 554 . 1 1 50 50 GLN CA C 13 60.293 0.40 . 1 . . . A 50 GLN CA . 11422 1 555 . 1 1 50 50 GLN CB C 13 28.346 0.40 . 1 . . . A 50 GLN CB . 11422 1 556 . 1 1 50 50 GLN CG C 13 34.144 0.40 . 1 . . . A 50 GLN CG . 11422 1 557 . 1 1 50 50 GLN N N 15 121.154 0.40 . 1 . . . A 50 GLN N . 11422 1 558 . 1 1 51 51 ARG H H 1 7.619 0.04 . 1 . . . A 51 ARG H . 11422 1 559 . 1 1 51 51 ARG HA H 1 3.018 0.04 . 1 . . . A 51 ARG HA . 11422 1 560 . 1 1 51 51 ARG HB2 H 1 1.227 0.04 . 2 . . . A 51 ARG HB2 . 11422 1 561 . 1 1 51 51 ARG HB3 H 1 1.343 0.04 . 2 . . . A 51 ARG HB3 . 11422 1 562 . 1 1 51 51 ARG HG2 H 1 0.452 0.04 . 2 . . . A 51 ARG HG2 . 11422 1 563 . 1 1 51 51 ARG HG3 H 1 0.905 0.04 . 2 . . . A 51 ARG HG3 . 11422 1 564 . 1 1 51 51 ARG HD2 H 1 2.919 0.04 . 2 . . . A 51 ARG HD2 . 11422 1 565 . 1 1 51 51 ARG HD3 H 1 2.942 0.04 . 2 . . . A 51 ARG HD3 . 11422 1 566 . 1 1 51 51 ARG C C 13 178.019 0.40 . 1 . . . A 51 ARG C . 11422 1 567 . 1 1 51 51 ARG CA C 13 60.053 0.40 . 1 . . . A 51 ARG CA . 11422 1 568 . 1 1 51 51 ARG CB C 13 30.180 0.40 . 1 . . . A 51 ARG CB . 11422 1 569 . 1 1 51 51 ARG CG C 13 27.757 0.40 . 1 . . . A 51 ARG CG . 11422 1 570 . 1 1 51 51 ARG CD C 13 43.299 0.40 . 1 . . . A 51 ARG CD . 11422 1 571 . 1 1 51 51 ARG N N 15 115.634 0.40 . 1 . . . A 51 ARG N . 11422 1 572 . 1 1 52 52 GLN H H 1 7.315 0.04 . 1 . . . A 52 GLN H . 11422 1 573 . 1 1 52 52 GLN HA H 1 3.731 0.04 . 1 . . . A 52 GLN HA . 11422 1 574 . 1 1 52 52 GLN HB2 H 1 1.945 0.04 . 2 . . . A 52 GLN HB2 . 11422 1 575 . 1 1 52 52 GLN HB3 H 1 1.954 0.04 . 2 . . . A 52 GLN HB3 . 11422 1 576 . 1 1 52 52 GLN HG2 H 1 2.280 0.04 . 2 . . . A 52 GLN HG2 . 11422 1 577 . 1 1 52 52 GLN HG3 H 1 2.284 0.04 . 2 . . . A 52 GLN HG3 . 11422 1 578 . 1 1 52 52 GLN C C 13 179.132 0.40 . 1 . . . A 52 GLN C . 11422 1 579 . 1 1 52 52 GLN CA C 13 58.479 0.40 . 1 . . . A 52 GLN CA . 11422 1 580 . 1 1 52 52 GLN CB C 13 28.726 0.40 . 1 . . . A 52 GLN CB . 11422 1 581 . 1 1 52 52 GLN CG C 13 34.223 0.40 . 1 . . . A 52 GLN CG . 11422 1 582 . 1 1 52 52 GLN N N 15 118.222 0.40 . 1 . . . A 52 GLN N . 11422 1 583 . 1 1 53 53 ALA H H 1 8.202 0.04 . 1 . . . A 53 ALA H . 11422 1 584 . 1 1 53 53 ALA HA H 1 3.973 0.04 . 1 . . . A 53 ALA HA . 11422 1 585 . 1 1 53 53 ALA HB1 H 1 1.428 0.04 . 1 . . . A 53 ALA HB1 . 11422 1 586 . 1 1 53 53 ALA HB2 H 1 1.428 0.04 . 1 . . . A 53 ALA HB2 . 11422 1 587 . 1 1 53 53 ALA HB3 H 1 1.428 0.04 . 1 . . . A 53 ALA HB3 . 11422 1 588 . 1 1 53 53 ALA C C 13 178.752 0.40 . 1 . . . A 53 ALA C . 11422 1 589 . 1 1 53 53 ALA CA C 13 55.058 0.40 . 1 . . . A 53 ALA CA . 11422 1 590 . 1 1 53 53 ALA CB C 13 20.495 0.40 . 1 . . . A 53 ALA CB . 11422 1 591 . 1 1 53 53 ALA N N 15 123.435 0.40 . 1 . . . A 53 ALA N . 11422 1 592 . 1 1 54 54 LEU H H 1 7.788 0.04 . 1 . . . A 54 LEU H . 11422 1 593 . 1 1 54 54 LEU HA H 1 3.672 0.04 . 1 . . . A 54 LEU HA . 11422 1 594 . 1 1 54 54 LEU HB2 H 1 1.258 0.04 . 2 . . . A 54 LEU HB2 . 11422 1 595 . 1 1 54 54 LEU HB3 H 1 1.394 0.04 . 2 . . . A 54 LEU HB3 . 11422 1 596 . 1 1 54 54 LEU HG H 1 1.253 0.04 . 1 . . . A 54 LEU HG . 11422 1 597 . 1 1 54 54 LEU HD11 H 1 0.622 0.04 . 2 . . . A 54 LEU HD11 . 11422 1 598 . 1 1 54 54 LEU HD12 H 1 0.622 0.04 . 2 . . . A 54 LEU HD12 . 11422 1 599 . 1 1 54 54 LEU HD13 H 1 0.622 0.04 . 2 . . . A 54 LEU HD13 . 11422 1 600 . 1 1 54 54 LEU HD21 H 1 0.670 0.04 . 2 . . . A 54 LEU HD21 . 11422 1 601 . 1 1 54 54 LEU HD22 H 1 0.670 0.04 . 2 . . . A 54 LEU HD22 . 11422 1 602 . 1 1 54 54 LEU HD23 H 1 0.670 0.04 . 2 . . . A 54 LEU HD23 . 11422 1 603 . 1 1 54 54 LEU C C 13 178.147 0.40 . 1 . . . A 54 LEU C . 11422 1 604 . 1 1 54 54 LEU CA C 13 57.706 0.40 . 1 . . . A 54 LEU CA . 11422 1 605 . 1 1 54 54 LEU CB C 13 41.958 0.40 . 1 . . . A 54 LEU CB . 11422 1 606 . 1 1 54 54 LEU CG C 13 26.081 0.40 . 1 . . . A 54 LEU CG . 11422 1 607 . 1 1 54 54 LEU CD1 C 13 26.143 0.40 . 2 . . . A 54 LEU CD1 . 11422 1 608 . 1 1 54 54 LEU CD2 C 13 23.566 0.40 . 2 . . . A 54 LEU CD2 . 11422 1 609 . 1 1 54 54 LEU N N 15 117.463 0.40 . 1 . . . A 54 LEU N . 11422 1 610 . 1 1 55 55 VAL H H 1 7.540 0.04 . 1 . . . A 55 VAL H . 11422 1 611 . 1 1 55 55 VAL HA H 1 3.303 0.04 . 1 . . . A 55 VAL HA . 11422 1 612 . 1 1 55 55 VAL HB H 1 1.909 0.04 . 1 . . . A 55 VAL HB . 11422 1 613 . 1 1 55 55 VAL HG11 H 1 0.959 0.04 . 2 . . . A 55 VAL HG11 . 11422 1 614 . 1 1 55 55 VAL HG12 H 1 0.959 0.04 . 2 . . . A 55 VAL HG12 . 11422 1 615 . 1 1 55 55 VAL HG13 H 1 0.959 0.04 . 2 . . . A 55 VAL HG13 . 11422 1 616 . 1 1 55 55 VAL HG21 H 1 0.923 0.04 . 2 . . . A 55 VAL HG21 . 11422 1 617 . 1 1 55 55 VAL HG22 H 1 0.923 0.04 . 2 . . . A 55 VAL HG22 . 11422 1 618 . 1 1 55 55 VAL HG23 H 1 0.923 0.04 . 2 . . . A 55 VAL HG23 . 11422 1 619 . 1 1 55 55 VAL C C 13 178.969 0.40 . 1 . . . A 55 VAL C . 11422 1 620 . 1 1 55 55 VAL CA C 13 66.932 0.40 . 1 . . . A 55 VAL CA . 11422 1 621 . 1 1 55 55 VAL CB C 13 31.986 0.40 . 1 . . . A 55 VAL CB . 11422 1 622 . 1 1 55 55 VAL CG1 C 13 23.346 0.40 . 2 . . . A 55 VAL CG1 . 11422 1 623 . 1 1 55 55 VAL CG2 C 13 21.182 0.40 . 2 . . . A 55 VAL CG2 . 11422 1 624 . 1 1 55 55 VAL N N 15 117.785 0.40 . 1 . . . A 55 VAL N . 11422 1 625 . 1 1 56 56 ARG H H 1 7.670 0.04 . 1 . . . A 56 ARG H . 11422 1 626 . 1 1 56 56 ARG HA H 1 3.912 0.04 . 1 . . . A 56 ARG HA . 11422 1 627 . 1 1 56 56 ARG HB2 H 1 1.972 0.04 . 2 . . . A 56 ARG HB2 . 11422 1 628 . 1 1 56 56 ARG HB3 H 1 1.669 0.04 . 2 . . . A 56 ARG HB3 . 11422 1 629 . 1 1 56 56 ARG HG2 H 1 1.433 0.04 . 2 . . . A 56 ARG HG2 . 11422 1 630 . 1 1 56 56 ARG HG3 H 1 1.458 0.04 . 2 . . . A 56 ARG HG3 . 11422 1 631 . 1 1 56 56 ARG HD2 H 1 2.919 0.04 . 2 . . . A 56 ARG HD2 . 11422 1 632 . 1 1 56 56 ARG HD3 H 1 3.307 0.04 . 2 . . . A 56 ARG HD3 . 11422 1 633 . 1 1 56 56 ARG C C 13 178.561 0.40 . 1 . . . A 56 ARG C . 11422 1 634 . 1 1 56 56 ARG CA C 13 59.838 0.40 . 1 . . . A 56 ARG CA . 11422 1 635 . 1 1 56 56 ARG CB C 13 29.107 0.40 . 1 . . . A 56 ARG CB . 11422 1 636 . 1 1 56 56 ARG CG C 13 25.371 0.40 . 1 . . . A 56 ARG CG . 11422 1 637 . 1 1 56 56 ARG CD C 13 41.766 0.40 . 1 . . . A 56 ARG CD . 11422 1 638 . 1 1 56 56 ARG N N 15 121.067 0.40 . 1 . . . A 56 ARG N . 11422 1 639 . 1 1 57 57 GLU H H 1 8.686 0.04 . 1 . . . A 57 GLU H . 11422 1 640 . 1 1 57 57 GLU HA H 1 4.010 0.04 . 1 . . . A 57 GLU HA . 11422 1 641 . 1 1 57 57 GLU HB2 H 1 1.692 0.04 . 2 . . . A 57 GLU HB2 . 11422 1 642 . 1 1 57 57 GLU HB3 H 1 1.781 0.04 . 2 . . . A 57 GLU HB3 . 11422 1 643 . 1 1 57 57 GLU HG2 H 1 1.877 0.04 . 2 . . . A 57 GLU HG2 . 11422 1 644 . 1 1 57 57 GLU HG3 H 1 2.347 0.04 . 2 . . . A 57 GLU HG3 . 11422 1 645 . 1 1 57 57 GLU C C 13 179.323 0.40 . 1 . . . A 57 GLU C . 11422 1 646 . 1 1 57 57 GLU CA C 13 58.987 0.40 . 1 . . . A 57 GLU CA . 11422 1 647 . 1 1 57 57 GLU CB C 13 28.564 0.40 . 1 . . . A 57 GLU CB . 11422 1 648 . 1 1 57 57 GLU CG C 13 34.618 0.40 . 1 . . . A 57 GLU CG . 11422 1 649 . 1 1 57 57 GLU N N 15 118.639 0.40 . 1 . . . A 57 GLU N . 11422 1 650 . 1 1 58 58 LEU H H 1 8.454 0.04 . 1 . . . A 58 LEU H . 11422 1 651 . 1 1 58 58 LEU HA H 1 3.860 0.04 . 1 . . . A 58 LEU HA . 11422 1 652 . 1 1 58 58 LEU HB2 H 1 1.900 0.04 . 2 . . . A 58 LEU HB2 . 11422 1 653 . 1 1 58 58 LEU HB3 H 1 0.956 0.04 . 2 . . . A 58 LEU HB3 . 11422 1 654 . 1 1 58 58 LEU HG H 1 1.884 0.04 . 1 . . . A 58 LEU HG . 11422 1 655 . 1 1 58 58 LEU HD11 H 1 0.486 0.04 . 2 . . . A 58 LEU HD11 . 11422 1 656 . 1 1 58 58 LEU HD12 H 1 0.486 0.04 . 2 . . . A 58 LEU HD12 . 11422 1 657 . 1 1 58 58 LEU HD13 H 1 0.486 0.04 . 2 . . . A 58 LEU HD13 . 11422 1 658 . 1 1 58 58 LEU HD21 H 1 0.518 0.04 . 2 . . . A 58 LEU HD21 . 11422 1 659 . 1 1 58 58 LEU HD22 H 1 0.518 0.04 . 2 . . . A 58 LEU HD22 . 11422 1 660 . 1 1 58 58 LEU HD23 H 1 0.518 0.04 . 2 . . . A 58 LEU HD23 . 11422 1 661 . 1 1 58 58 LEU C C 13 179.539 0.40 . 1 . . . A 58 LEU C . 11422 1 662 . 1 1 58 58 LEU CA C 13 58.082 0.40 . 1 . . . A 58 LEU CA . 11422 1 663 . 1 1 58 58 LEU CB C 13 40.015 0.40 . 1 . . . A 58 LEU CB . 11422 1 664 . 1 1 58 58 LEU CG C 13 26.133 0.40 . 1 . . . A 58 LEU CG . 11422 1 665 . 1 1 58 58 LEU CD1 C 13 25.413 0.40 . 2 . . . A 58 LEU CD1 . 11422 1 666 . 1 1 58 58 LEU CD2 C 13 22.140 0.40 . 2 . . . A 58 LEU CD2 . 11422 1 667 . 1 1 58 58 LEU N N 15 117.934 0.40 . 1 . . . A 58 LEU N . 11422 1 668 . 1 1 59 59 ARG H H 1 7.519 0.04 . 1 . . . A 59 ARG H . 11422 1 669 . 1 1 59 59 ARG HA H 1 4.315 0.04 . 1 . . . A 59 ARG HA . 11422 1 670 . 1 1 59 59 ARG HB2 H 1 1.889 0.04 . 2 . . . A 59 ARG HB2 . 11422 1 671 . 1 1 59 59 ARG HB3 H 1 1.887 0.04 . 2 . . . A 59 ARG HB3 . 11422 1 672 . 1 1 59 59 ARG HG2 H 1 1.439 0.04 . 2 . . . A 59 ARG HG2 . 11422 1 673 . 1 1 59 59 ARG HG3 H 1 1.397 0.04 . 2 . . . A 59 ARG HG3 . 11422 1 674 . 1 1 59 59 ARG HD2 H 1 3.087 0.04 . 2 . . . A 59 ARG HD2 . 11422 1 675 . 1 1 59 59 ARG HD3 H 1 3.085 0.04 . 2 . . . A 59 ARG HD3 . 11422 1 676 . 1 1 59 59 ARG C C 13 179.796 0.40 . 1 . . . A 59 ARG C . 11422 1 677 . 1 1 59 59 ARG CA C 13 59.816 0.40 . 1 . . . A 59 ARG CA . 11422 1 678 . 1 1 59 59 ARG CB C 13 30.231 0.40 . 1 . . . A 59 ARG CB . 11422 1 679 . 1 1 59 59 ARG CG C 13 27.317 0.40 . 1 . . . A 59 ARG CG . 11422 1 680 . 1 1 59 59 ARG CD C 13 43.288 0.40 . 1 . . . A 59 ARG CD . 11422 1 681 . 1 1 59 59 ARG N N 15 122.473 0.40 . 1 . . . A 59 ARG N . 11422 1 682 . 1 1 60 60 GLU H H 1 7.926 0.04 . 1 . . . A 60 GLU H . 11422 1 683 . 1 1 60 60 GLU HA H 1 3.845 0.04 . 1 . . . A 60 GLU HA . 11422 1 684 . 1 1 60 60 GLU HB2 H 1 1.980 0.04 . 2 . . . A 60 GLU HB2 . 11422 1 685 . 1 1 60 60 GLU HB3 H 1 1.980 0.04 . 2 . . . A 60 GLU HB3 . 11422 1 686 . 1 1 60 60 GLU HG2 H 1 2.200 0.04 . 2 . . . A 60 GLU HG2 . 11422 1 687 . 1 1 60 60 GLU HG3 H 1 2.326 0.04 . 2 . . . A 60 GLU HG3 . 11422 1 688 . 1 1 60 60 GLU C C 13 178.380 0.40 . 1 . . . A 60 GLU C . 11422 1 689 . 1 1 60 60 GLU CA C 13 59.151 0.40 . 1 . . . A 60 GLU CA . 11422 1 690 . 1 1 60 60 GLU CB C 13 30.059 0.40 . 1 . . . A 60 GLU CB . 11422 1 691 . 1 1 60 60 GLU CG C 13 36.126 0.40 . 1 . . . A 60 GLU CG . 11422 1 692 . 1 1 60 60 GLU N N 15 119.493 0.40 . 1 . . . A 60 GLU N . 11422 1 693 . 1 1 61 61 GLU H H 1 8.642 0.04 . 1 . . . A 61 GLU H . 11422 1 694 . 1 1 61 61 GLU HA H 1 4.566 0.04 . 1 . . . A 61 GLU HA . 11422 1 695 . 1 1 61 61 GLU HB2 H 1 2.167 0.04 . 2 . . . A 61 GLU HB2 . 11422 1 696 . 1 1 61 61 GLU HB3 H 1 1.892 0.04 . 2 . . . A 61 GLU HB3 . 11422 1 697 . 1 1 61 61 GLU HG2 H 1 2.506 0.04 . 2 . . . A 61 GLU HG2 . 11422 1 698 . 1 1 61 61 GLU HG3 H 1 2.590 0.04 . 2 . . . A 61 GLU HG3 . 11422 1 699 . 1 1 61 61 GLU C C 13 177.676 0.40 . 1 . . . A 61 GLU C . 11422 1 700 . 1 1 61 61 GLU CA C 13 57.426 0.40 . 1 . . . A 61 GLU CA . 11422 1 701 . 1 1 61 61 GLU CB C 13 30.003 0.40 . 1 . . . A 61 GLU CB . 11422 1 702 . 1 1 61 61 GLU CG C 13 34.726 0.40 . 1 . . . A 61 GLU CG . 11422 1 703 . 1 1 61 61 GLU N N 15 115.007 0.40 . 1 . . . A 61 GLU N . 11422 1 704 . 1 1 62 62 LEU H H 1 7.665 0.04 . 1 . . . A 62 LEU H . 11422 1 705 . 1 1 62 62 LEU HA H 1 5.194 0.04 . 1 . . . A 62 LEU HA . 11422 1 706 . 1 1 62 62 LEU HB2 H 1 1.736 0.04 . 2 . . . A 62 LEU HB2 . 11422 1 707 . 1 1 62 62 LEU HB3 H 1 1.410 0.04 . 2 . . . A 62 LEU HB3 . 11422 1 708 . 1 1 62 62 LEU HG H 1 1.303 0.04 . 1 . . . A 62 LEU HG . 11422 1 709 . 1 1 62 62 LEU HD11 H 1 0.419 0.04 . 2 . . . A 62 LEU HD11 . 11422 1 710 . 1 1 62 62 LEU HD12 H 1 0.419 0.04 . 2 . . . A 62 LEU HD12 . 11422 1 711 . 1 1 62 62 LEU HD13 H 1 0.419 0.04 . 2 . . . A 62 LEU HD13 . 11422 1 712 . 1 1 62 62 LEU HD21 H 1 0.681 0.04 . 2 . . . A 62 LEU HD21 . 11422 1 713 . 1 1 62 62 LEU HD22 H 1 0.681 0.04 . 2 . . . A 62 LEU HD22 . 11422 1 714 . 1 1 62 62 LEU HD23 H 1 0.681 0.04 . 2 . . . A 62 LEU HD23 . 11422 1 715 . 1 1 62 62 LEU C C 13 177.027 0.40 . 1 . . . A 62 LEU C . 11422 1 716 . 1 1 62 62 LEU CA C 13 53.877 0.40 . 1 . . . A 62 LEU CA . 11422 1 717 . 1 1 62 62 LEU CB C 13 44.687 0.40 . 1 . . . A 62 LEU CB . 11422 1 718 . 1 1 62 62 LEU CG C 13 26.759 0.40 . 1 . . . A 62 LEU CG . 11422 1 719 . 1 1 62 62 LEU CD1 C 13 26.748 0.40 . 2 . . . A 62 LEU CD1 . 11422 1 720 . 1 1 62 62 LEU CD2 C 13 23.227 0.40 . 2 . . . A 62 LEU CD2 . 11422 1 721 . 1 1 62 62 LEU N N 15 115.566 0.40 . 1 . . . A 62 LEU N . 11422 1 722 . 1 1 63 63 GLY H H 1 7.424 0.04 . 1 . . . A 63 GLY H . 11422 1 723 . 1 1 63 63 GLY HA2 H 1 4.271 0.04 . 2 . . . A 63 GLY HA2 . 11422 1 724 . 1 1 63 63 GLY HA3 H 1 3.927 0.04 . 2 . . . A 63 GLY HA3 . 11422 1 725 . 1 1 63 63 GLY C C 13 174.595 0.40 . 1 . . . A 63 GLY C . 11422 1 726 . 1 1 63 63 GLY CA C 13 46.191 0.40 . 1 . . . A 63 GLY CA . 11422 1 727 . 1 1 63 63 GLY N N 15 106.817 0.40 . 1 . . . A 63 GLY N . 11422 1 728 . 1 1 64 64 ILE H H 1 6.596 0.04 . 1 . . . A 64 ILE H . 11422 1 729 . 1 1 64 64 ILE HA H 1 4.718 0.04 . 1 . . . A 64 ILE HA . 11422 1 730 . 1 1 64 64 ILE HB H 1 1.554 0.04 . 1 . . . A 64 ILE HB . 11422 1 731 . 1 1 64 64 ILE HG12 H 1 0.502 0.04 . 2 . . . A 64 ILE HG12 . 11422 1 732 . 1 1 64 64 ILE HG13 H 1 0.903 0.04 . 2 . . . A 64 ILE HG13 . 11422 1 733 . 1 1 64 64 ILE HG21 H 1 0.360 0.04 . 1 . . . A 64 ILE HG21 . 11422 1 734 . 1 1 64 64 ILE HG22 H 1 0.360 0.04 . 1 . . . A 64 ILE HG22 . 11422 1 735 . 1 1 64 64 ILE HG23 H 1 0.360 0.04 . 1 . . . A 64 ILE HG23 . 11422 1 736 . 1 1 64 64 ILE HD11 H 1 0.001 0.04 . 1 . . . A 64 ILE HD11 . 11422 1 737 . 1 1 64 64 ILE HD12 H 1 0.001 0.04 . 1 . . . A 64 ILE HD12 . 11422 1 738 . 1 1 64 64 ILE HD13 H 1 0.001 0.04 . 1 . . . A 64 ILE HD13 . 11422 1 739 . 1 1 64 64 ILE C C 13 174.469 0.40 . 1 . . . A 64 ILE C . 11422 1 740 . 1 1 64 64 ILE CA C 13 59.356 0.40 . 1 . . . A 64 ILE CA . 11422 1 741 . 1 1 64 64 ILE CB C 13 41.221 0.40 . 1 . . . A 64 ILE CB . 11422 1 742 . 1 1 64 64 ILE CG1 C 13 24.341 0.40 . 1 . . . A 64 ILE CG1 . 11422 1 743 . 1 1 64 64 ILE CG2 C 13 18.368 0.40 . 1 . . . A 64 ILE CG2 . 11422 1 744 . 1 1 64 64 ILE CD1 C 13 12.427 0.40 . 1 . . . A 64 ILE CD1 . 11422 1 745 . 1 1 64 64 ILE N N 15 109.379 0.40 . 1 . . . A 64 ILE N . 11422 1 746 . 1 1 65 65 GLU H H 1 8.519 0.04 . 1 . . . A 65 GLU H . 11422 1 747 . 1 1 65 65 GLU HA H 1 4.512 0.04 . 1 . . . A 65 GLU HA . 11422 1 748 . 1 1 65 65 GLU HB2 H 1 1.531 0.04 . 2 . . . A 65 GLU HB2 . 11422 1 749 . 1 1 65 65 GLU HB3 H 1 1.791 0.04 . 2 . . . A 65 GLU HB3 . 11422 1 750 . 1 1 65 65 GLU HG2 H 1 2.059 0.04 . 2 . . . A 65 GLU HG2 . 11422 1 751 . 1 1 65 65 GLU HG3 H 1 2.055 0.04 . 2 . . . A 65 GLU HG3 . 11422 1 752 . 1 1 65 65 GLU C C 13 176.338 0.40 . 1 . . . A 65 GLU C . 11422 1 753 . 1 1 65 65 GLU CA C 13 53.932 0.40 . 1 . . . A 65 GLU CA . 11422 1 754 . 1 1 65 65 GLU CB C 13 29.492 0.40 . 1 . . . A 65 GLU CB . 11422 1 755 . 1 1 65 65 GLU CG C 13 34.834 0.40 . 1 . . . A 65 GLU CG . 11422 1 756 . 1 1 65 65 GLU N N 15 121.656 0.40 . 1 . . . A 65 GLU N . 11422 1 757 . 1 1 66 66 ALA H H 1 9.163 0.04 . 1 . . . A 66 ALA H . 11422 1 758 . 1 1 66 66 ALA HA H 1 4.263 0.04 . 1 . . . A 66 ALA HA . 11422 1 759 . 1 1 66 66 ALA HB1 H 1 1.147 0.04 . 1 . . . A 66 ALA HB1 . 11422 1 760 . 1 1 66 66 ALA HB2 H 1 1.147 0.04 . 1 . . . A 66 ALA HB2 . 11422 1 761 . 1 1 66 66 ALA HB3 H 1 1.147 0.04 . 1 . . . A 66 ALA HB3 . 11422 1 762 . 1 1 66 66 ALA C C 13 176.151 0.40 . 1 . . . A 66 ALA C . 11422 1 763 . 1 1 66 66 ALA CA C 13 52.488 0.40 . 1 . . . A 66 ALA CA . 11422 1 764 . 1 1 66 66 ALA CB C 13 21.555 0.40 . 1 . . . A 66 ALA CB . 11422 1 765 . 1 1 66 66 ALA N N 15 130.265 0.40 . 1 . . . A 66 ALA N . 11422 1 766 . 1 1 67 67 THR H H 1 8.111 0.04 . 1 . . . A 67 THR H . 11422 1 767 . 1 1 67 67 THR HA H 1 4.217 0.04 . 1 . . . A 67 THR HA . 11422 1 768 . 1 1 67 67 THR HG21 H 1 1.033 0.04 . 1 . . . A 67 THR HG21 . 11422 1 769 . 1 1 67 67 THR HG22 H 1 1.033 0.04 . 1 . . . A 67 THR HG22 . 11422 1 770 . 1 1 67 67 THR HG23 H 1 1.033 0.04 . 1 . . . A 67 THR HG23 . 11422 1 771 . 1 1 67 67 THR C C 13 172.492 0.40 . 1 . . . A 67 THR C . 11422 1 772 . 1 1 67 67 THR CA C 13 62.045 0.40 . 1 . . . A 67 THR CA . 11422 1 773 . 1 1 67 67 THR CB C 13 69.540 0.40 . 1 . . . A 67 THR CB . 11422 1 774 . 1 1 67 67 THR CG2 C 13 21.244 0.40 . 1 . . . A 67 THR CG2 . 11422 1 775 . 1 1 67 67 THR N N 15 119.819 0.40 . 1 . . . A 67 THR N . 11422 1 776 . 1 1 68 68 VAL H H 1 8.407 0.04 . 1 . . . A 68 VAL H . 11422 1 777 . 1 1 68 68 VAL HA H 1 3.849 0.04 . 1 . . . A 68 VAL HA . 11422 1 778 . 1 1 68 68 VAL HB H 1 1.752 0.04 . 1 . . . A 68 VAL HB . 11422 1 779 . 1 1 68 68 VAL HG11 H 1 0.796 0.04 . 2 . . . A 68 VAL HG11 . 11422 1 780 . 1 1 68 68 VAL HG12 H 1 0.796 0.04 . 2 . . . A 68 VAL HG12 . 11422 1 781 . 1 1 68 68 VAL HG13 H 1 0.796 0.04 . 2 . . . A 68 VAL HG13 . 11422 1 782 . 1 1 68 68 VAL HG21 H 1 0.644 0.04 . 2 . . . A 68 VAL HG21 . 11422 1 783 . 1 1 68 68 VAL HG22 H 1 0.644 0.04 . 2 . . . A 68 VAL HG22 . 11422 1 784 . 1 1 68 68 VAL HG23 H 1 0.644 0.04 . 2 . . . A 68 VAL HG23 . 11422 1 785 . 1 1 68 68 VAL C C 13 176.320 0.40 . 1 . . . A 68 VAL C . 11422 1 786 . 1 1 68 68 VAL CA C 13 63.885 0.40 . 1 . . . A 68 VAL CA . 11422 1 787 . 1 1 68 68 VAL CB C 13 31.447 0.40 . 1 . . . A 68 VAL CB . 11422 1 788 . 1 1 68 68 VAL CG1 C 13 23.248 0.40 . 2 . . . A 68 VAL CG1 . 11422 1 789 . 1 1 68 68 VAL CG2 C 13 22.580 0.40 . 2 . . . A 68 VAL CG2 . 11422 1 790 . 1 1 68 68 VAL N N 15 126.359 0.40 . 1 . . . A 68 VAL N . 11422 1 791 . 1 1 69 69 GLY H H 1 9.275 0.04 . 1 . . . A 69 GLY H . 11422 1 792 . 1 1 69 69 GLY HA2 H 1 3.570 0.04 . 2 . . . A 69 GLY HA2 . 11422 1 793 . 1 1 69 69 GLY HA3 H 1 4.506 0.04 . 2 . . . A 69 GLY HA3 . 11422 1 794 . 1 1 69 69 GLY C C 13 173.503 0.40 . 1 . . . A 69 GLY C . 11422 1 795 . 1 1 69 69 GLY CA C 13 44.695 0.40 . 1 . . . A 69 GLY CA . 11422 1 796 . 1 1 69 69 GLY N N 15 120.883 0.40 . 1 . . . A 69 GLY N . 11422 1 797 . 1 1 70 70 GLU H H 1 9.146 0.04 . 1 . . . A 70 GLU H . 11422 1 798 . 1 1 70 70 GLU HA H 1 4.409 0.04 . 1 . . . A 70 GLU HA . 11422 1 799 . 1 1 70 70 GLU HB2 H 1 1.981 0.04 . 2 . . . A 70 GLU HB2 . 11422 1 800 . 1 1 70 70 GLU HB3 H 1 2.062 0.04 . 2 . . . A 70 GLU HB3 . 11422 1 801 . 1 1 70 70 GLU HG2 H 1 2.316 0.04 . 2 . . . A 70 GLU HG2 . 11422 1 802 . 1 1 70 70 GLU HG3 H 1 2.319 0.04 . 2 . . . A 70 GLU HG3 . 11422 1 803 . 1 1 70 70 GLU C C 13 175.549 0.40 . 1 . . . A 70 GLU C . 11422 1 804 . 1 1 70 70 GLU CA C 13 56.315 0.40 . 1 . . . A 70 GLU CA . 11422 1 805 . 1 1 70 70 GLU CB C 13 31.366 0.40 . 1 . . . A 70 GLU CB . 11422 1 806 . 1 1 70 70 GLU CG C 13 36.567 0.40 . 1 . . . A 70 GLU CG . 11422 1 807 . 1 1 70 70 GLU N N 15 125.306 0.40 . 1 . . . A 70 GLU N . 11422 1 808 . 1 1 71 71 TYR H H 1 8.194 0.04 . 1 . . . A 71 TYR H . 11422 1 809 . 1 1 71 71 TYR HA H 1 3.141 0.04 . 1 . . . A 71 TYR HA . 11422 1 810 . 1 1 71 71 TYR HB2 H 1 1.374 0.04 . 2 . . . A 71 TYR HB2 . 11422 1 811 . 1 1 71 71 TYR HB3 H 1 2.064 0.04 . 2 . . . A 71 TYR HB3 . 11422 1 812 . 1 1 71 71 TYR C C 13 175.028 0.40 . 1 . . . A 71 TYR C . 11422 1 813 . 1 1 71 71 TYR CA C 13 58.577 0.40 . 1 . . . A 71 TYR CA . 11422 1 814 . 1 1 71 71 TYR CB C 13 38.028 0.40 . 1 . . . A 71 TYR CB . 11422 1 815 . 1 1 71 71 TYR N N 15 125.023 0.40 . 1 . . . A 71 TYR N . 11422 1 816 . 1 1 72 72 VAL H H 1 7.923 0.04 . 1 . . . A 72 VAL H . 11422 1 817 . 1 1 72 72 VAL HA H 1 3.695 0.04 . 1 . . . A 72 VAL HA . 11422 1 818 . 1 1 72 72 VAL HB H 1 1.348 0.04 . 1 . . . A 72 VAL HB . 11422 1 819 . 1 1 72 72 VAL HG11 H 1 0.737 0.04 . 2 . . . A 72 VAL HG11 . 11422 1 820 . 1 1 72 72 VAL HG12 H 1 0.737 0.04 . 2 . . . A 72 VAL HG12 . 11422 1 821 . 1 1 72 72 VAL HG13 H 1 0.737 0.04 . 2 . . . A 72 VAL HG13 . 11422 1 822 . 1 1 72 72 VAL HG21 H 1 0.673 0.04 . 2 . . . A 72 VAL HG21 . 11422 1 823 . 1 1 72 72 VAL HG22 H 1 0.673 0.04 . 2 . . . A 72 VAL HG22 . 11422 1 824 . 1 1 72 72 VAL HG23 H 1 0.673 0.04 . 2 . . . A 72 VAL HG23 . 11422 1 825 . 1 1 72 72 VAL C C 13 174.024 0.40 . 1 . . . A 72 VAL C . 11422 1 826 . 1 1 72 72 VAL CA C 13 63.800 0.40 . 1 . . . A 72 VAL CA . 11422 1 827 . 1 1 72 72 VAL CB C 13 33.233 0.40 . 1 . . . A 72 VAL CB . 11422 1 828 . 1 1 72 72 VAL CG1 C 13 21.438 0.40 . 2 . . . A 72 VAL CG1 . 11422 1 829 . 1 1 72 72 VAL CG2 C 13 20.077 0.40 . 2 . . . A 72 VAL CG2 . 11422 1 830 . 1 1 72 72 VAL N N 15 127.340 0.40 . 1 . . . A 72 VAL N . 11422 1 831 . 1 1 73 73 ALA H H 1 6.720 0.04 . 1 . . . A 73 ALA H . 11422 1 832 . 1 1 73 73 ALA HA H 1 4.184 0.04 . 1 . . . A 73 ALA HA . 11422 1 833 . 1 1 73 73 ALA HB1 H 1 1.216 0.04 . 1 . . . A 73 ALA HB1 . 11422 1 834 . 1 1 73 73 ALA HB2 H 1 1.216 0.04 . 1 . . . A 73 ALA HB2 . 11422 1 835 . 1 1 73 73 ALA HB3 H 1 1.216 0.04 . 1 . . . A 73 ALA HB3 . 11422 1 836 . 1 1 73 73 ALA C C 13 173.980 0.40 . 1 . . . A 73 ALA C . 11422 1 837 . 1 1 73 73 ALA CA C 13 51.969 0.40 . 1 . . . A 73 ALA CA . 11422 1 838 . 1 1 73 73 ALA CB C 13 22.233 0.40 . 1 . . . A 73 ALA CB . 11422 1 839 . 1 1 73 73 ALA N N 15 116.255 0.40 . 1 . . . A 73 ALA N . 11422 1 840 . 1 1 74 74 SER H H 1 8.261 0.04 . 1 . . . A 74 SER H . 11422 1 841 . 1 1 74 74 SER HA H 1 5.764 0.04 . 1 . . . A 74 SER HA . 11422 1 842 . 1 1 74 74 SER HB2 H 1 3.939 0.04 . 2 . . . A 74 SER HB2 . 11422 1 843 . 1 1 74 74 SER HB3 H 1 3.483 0.04 . 2 . . . A 74 SER HB3 . 11422 1 844 . 1 1 74 74 SER C C 13 173.240 0.40 . 1 . . . A 74 SER C . 11422 1 845 . 1 1 74 74 SER CA C 13 57.101 0.40 . 1 . . . A 74 SER CA . 11422 1 846 . 1 1 74 74 SER CB C 13 66.054 0.40 . 1 . . . A 74 SER CB . 11422 1 847 . 1 1 74 74 SER N N 15 113.030 0.40 . 1 . . . A 74 SER N . 11422 1 848 . 1 1 75 75 HIS H H 1 9.130 0.04 . 1 . . . A 75 HIS H . 11422 1 849 . 1 1 75 75 HIS HA H 1 4.763 0.04 . 1 . . . A 75 HIS HA . 11422 1 850 . 1 1 75 75 HIS HB2 H 1 2.897 0.04 . 2 . . . A 75 HIS HB2 . 11422 1 851 . 1 1 75 75 HIS HB3 H 1 2.766 0.04 . 2 . . . A 75 HIS HB3 . 11422 1 852 . 1 1 75 75 HIS C C 13 172.930 0.40 . 1 . . . A 75 HIS C . 11422 1 853 . 1 1 75 75 HIS CA C 13 56.165 0.40 . 1 . . . A 75 HIS CA . 11422 1 854 . 1 1 75 75 HIS CB C 13 33.791 0.40 . 1 . . . A 75 HIS CB . 11422 1 855 . 1 1 75 75 HIS N N 15 121.652 0.40 . 1 . . . A 75 HIS N . 11422 1 856 . 1 1 76 76 GLN H H 1 7.795 0.04 . 1 . . . A 76 GLN H . 11422 1 857 . 1 1 76 76 GLN HA H 1 5.249 0.04 . 1 . . . A 76 GLN HA . 11422 1 858 . 1 1 76 76 GLN HB2 H 1 1.499 0.04 . 2 . . . A 76 GLN HB2 . 11422 1 859 . 1 1 76 76 GLN HB3 H 1 1.499 0.04 . 2 . . . A 76 GLN HB3 . 11422 1 860 . 1 1 76 76 GLN HG2 H 1 1.737 0.04 . 2 . . . A 76 GLN HG2 . 11422 1 861 . 1 1 76 76 GLN HG3 H 1 1.628 0.04 . 2 . . . A 76 GLN HG3 . 11422 1 862 . 1 1 76 76 GLN C C 13 173.707 0.40 . 1 . . . A 76 GLN C . 11422 1 863 . 1 1 76 76 GLN CA C 13 54.017 0.40 . 1 . . . A 76 GLN CA . 11422 1 864 . 1 1 76 76 GLN CB C 13 31.196 0.40 . 1 . . . A 76 GLN CB . 11422 1 865 . 1 1 76 76 GLN CG C 13 33.881 0.40 . 1 . . . A 76 GLN CG . 11422 1 866 . 1 1 76 76 GLN N N 15 126.367 0.40 . 1 . . . A 76 GLN N . 11422 1 867 . 1 1 77 77 ARG H H 1 8.406 0.04 . 1 . . . A 77 ARG H . 11422 1 868 . 1 1 77 77 ARG HA H 1 4.420 0.04 . 1 . . . A 77 ARG HA . 11422 1 869 . 1 1 77 77 ARG HB2 H 1 1.633 0.04 . 2 . . . A 77 ARG HB2 . 11422 1 870 . 1 1 77 77 ARG HB3 H 1 1.634 0.04 . 2 . . . A 77 ARG HB3 . 11422 1 871 . 1 1 77 77 ARG HG2 H 1 1.509 0.04 . 2 . . . A 77 ARG HG2 . 11422 1 872 . 1 1 77 77 ARG HG3 H 1 1.369 0.04 . 2 . . . A 77 ARG HG3 . 11422 1 873 . 1 1 77 77 ARG HD2 H 1 3.043 0.04 . 2 . . . A 77 ARG HD2 . 11422 1 874 . 1 1 77 77 ARG HD3 H 1 3.056 0.04 . 2 . . . A 77 ARG HD3 . 11422 1 875 . 1 1 77 77 ARG C C 13 173.050 0.40 . 1 . . . A 77 ARG C . 11422 1 876 . 1 1 77 77 ARG CA C 13 54.448 0.40 . 1 . . . A 77 ARG CA . 11422 1 877 . 1 1 77 77 ARG CB C 13 33.550 0.40 . 1 . . . A 77 ARG CB . 11422 1 878 . 1 1 77 77 ARG CG C 13 26.596 0.40 . 1 . . . A 77 ARG CG . 11422 1 879 . 1 1 77 77 ARG CD C 13 43.514 0.40 . 1 . . . A 77 ARG CD . 11422 1 880 . 1 1 77 77 ARG N N 15 121.696 0.40 . 1 . . . A 77 ARG N . 11422 1 881 . 1 1 78 78 GLU H H 1 8.516 0.04 . 1 . . . A 78 GLU H . 11422 1 882 . 1 1 78 78 GLU HA H 1 4.880 0.04 . 1 . . . A 78 GLU HA . 11422 1 883 . 1 1 78 78 GLU HB2 H 1 1.701 0.04 . 2 . . . A 78 GLU HB2 . 11422 1 884 . 1 1 78 78 GLU HB3 H 1 1.847 0.04 . 2 . . . A 78 GLU HB3 . 11422 1 885 . 1 1 78 78 GLU HG2 H 1 1.987 0.04 . 2 . . . A 78 GLU HG2 . 11422 1 886 . 1 1 78 78 GLU HG3 H 1 1.844 0.04 . 2 . . . A 78 GLU HG3 . 11422 1 887 . 1 1 78 78 GLU C C 13 175.981 0.40 . 1 . . . A 78 GLU C . 11422 1 888 . 1 1 78 78 GLU CA C 13 55.580 0.40 . 1 . . . A 78 GLU CA . 11422 1 889 . 1 1 78 78 GLU CB C 13 30.398 0.40 . 1 . . . A 78 GLU CB . 11422 1 890 . 1 1 78 78 GLU CG C 13 36.221 0.40 . 1 . . . A 78 GLU CG . 11422 1 891 . 1 1 78 78 GLU N N 15 125.213 0.40 . 1 . . . A 78 GLU N . 11422 1 892 . 1 1 79 79 VAL H H 1 8.980 0.04 . 1 . . . A 79 VAL H . 11422 1 893 . 1 1 79 79 VAL HA H 1 4.164 0.04 . 1 . . . A 79 VAL HA . 11422 1 894 . 1 1 79 79 VAL HB H 1 1.840 0.04 . 1 . . . A 79 VAL HB . 11422 1 895 . 1 1 79 79 VAL HG11 H 1 0.818 0.04 . 2 . . . A 79 VAL HG11 . 11422 1 896 . 1 1 79 79 VAL HG12 H 1 0.818 0.04 . 2 . . . A 79 VAL HG12 . 11422 1 897 . 1 1 79 79 VAL HG13 H 1 0.818 0.04 . 2 . . . A 79 VAL HG13 . 11422 1 898 . 1 1 79 79 VAL HG21 H 1 0.789 0.04 . 2 . . . A 79 VAL HG21 . 11422 1 899 . 1 1 79 79 VAL HG22 H 1 0.789 0.04 . 2 . . . A 79 VAL HG22 . 11422 1 900 . 1 1 79 79 VAL HG23 H 1 0.789 0.04 . 2 . . . A 79 VAL HG23 . 11422 1 901 . 1 1 79 79 VAL C C 13 175.703 0.40 . 1 . . . A 79 VAL C . 11422 1 902 . 1 1 79 79 VAL CA C 13 61.651 0.40 . 1 . . . A 79 VAL CA . 11422 1 903 . 1 1 79 79 VAL CB C 13 34.597 0.40 . 1 . . . A 79 VAL CB . 11422 1 904 . 1 1 79 79 VAL CG1 C 13 20.712 0.40 . 2 . . . A 79 VAL CG1 . 11422 1 905 . 1 1 79 79 VAL CG2 C 13 20.785 0.40 . 2 . . . A 79 VAL CG2 . 11422 1 906 . 1 1 79 79 VAL N N 15 127.213 0.40 . 1 . . . A 79 VAL N . 11422 1 907 . 1 1 80 80 SER H H 1 9.200 0.04 . 1 . . . A 80 SER H . 11422 1 908 . 1 1 80 80 SER HA H 1 3.913 0.04 . 1 . . . A 80 SER HA . 11422 1 909 . 1 1 80 80 SER C C 13 175.099 0.40 . 1 . . . A 80 SER C . 11422 1 910 . 1 1 80 80 SER CA C 13 58.451 0.40 . 1 . . . A 80 SER CA . 11422 1 911 . 1 1 80 80 SER CB C 13 62.262 0.40 . 1 . . . A 80 SER CB . 11422 1 912 . 1 1 80 80 SER N N 15 123.691 0.40 . 1 . . . A 80 SER N . 11422 1 913 . 1 1 81 81 GLY H H 1 8.807 0.04 . 1 . . . A 81 GLY H . 11422 1 914 . 1 1 81 81 GLY HA2 H 1 3.568 0.04 . 2 . . . A 81 GLY HA2 . 11422 1 915 . 1 1 81 81 GLY HA3 H 1 4.037 0.04 . 2 . . . A 81 GLY HA3 . 11422 1 916 . 1 1 81 81 GLY C C 13 173.586 0.40 . 1 . . . A 81 GLY C . 11422 1 917 . 1 1 81 81 GLY CA C 13 45.467 0.40 . 1 . . . A 81 GLY CA . 11422 1 918 . 1 1 81 81 GLY N N 15 106.537 0.40 . 1 . . . A 81 GLY N . 11422 1 919 . 1 1 82 82 ARG H H 1 7.768 0.04 . 1 . . . A 82 ARG H . 11422 1 920 . 1 1 82 82 ARG HA H 1 4.691 0.04 . 1 . . . A 82 ARG HA . 11422 1 921 . 1 1 82 82 ARG HB2 H 1 1.647 0.04 . 2 . . . A 82 ARG HB2 . 11422 1 922 . 1 1 82 82 ARG HB3 H 1 1.642 0.04 . 2 . . . A 82 ARG HB3 . 11422 1 923 . 1 1 82 82 ARG HG2 H 1 1.512 0.04 . 2 . . . A 82 ARG HG2 . 11422 1 924 . 1 1 82 82 ARG HG3 H 1 1.515 0.04 . 2 . . . A 82 ARG HG3 . 11422 1 925 . 1 1 82 82 ARG HD2 H 1 3.086 0.04 . 2 . . . A 82 ARG HD2 . 11422 1 926 . 1 1 82 82 ARG HD3 H 1 3.001 0.04 . 2 . . . A 82 ARG HD3 . 11422 1 927 . 1 1 82 82 ARG C C 13 173.907 0.40 . 1 . . . A 82 ARG C . 11422 1 928 . 1 1 82 82 ARG CA C 13 54.098 0.40 . 1 . . . A 82 ARG CA . 11422 1 929 . 1 1 82 82 ARG CB C 13 32.697 0.40 . 1 . . . A 82 ARG CB . 11422 1 930 . 1 1 82 82 ARG CG C 13 26.758 0.40 . 1 . . . A 82 ARG CG . 11422 1 931 . 1 1 82 82 ARG CD C 13 43.475 0.40 . 1 . . . A 82 ARG CD . 11422 1 932 . 1 1 82 82 ARG N N 15 120.091 0.40 . 1 . . . A 82 ARG N . 11422 1 933 . 1 1 83 83 ILE H H 1 8.519 0.04 . 1 . . . A 83 ILE H . 11422 1 934 . 1 1 83 83 ILE HA H 1 4.345 0.04 . 1 . . . A 83 ILE HA . 11422 1 935 . 1 1 83 83 ILE HB H 1 1.669 0.04 . 1 . . . A 83 ILE HB . 11422 1 936 . 1 1 83 83 ILE HG12 H 1 1.373 0.04 . 2 . . . A 83 ILE HG12 . 11422 1 937 . 1 1 83 83 ILE HG13 H 1 0.963 0.04 . 2 . . . A 83 ILE HG13 . 11422 1 938 . 1 1 83 83 ILE HG21 H 1 0.533 0.04 . 1 . . . A 83 ILE HG21 . 11422 1 939 . 1 1 83 83 ILE HG22 H 1 0.533 0.04 . 1 . . . A 83 ILE HG22 . 11422 1 940 . 1 1 83 83 ILE HG23 H 1 0.533 0.04 . 1 . . . A 83 ILE HG23 . 11422 1 941 . 1 1 83 83 ILE HD11 H 1 0.631 0.04 . 1 . . . A 83 ILE HD11 . 11422 1 942 . 1 1 83 83 ILE HD12 H 1 0.631 0.04 . 1 . . . A 83 ILE HD12 . 11422 1 943 . 1 1 83 83 ILE HD13 H 1 0.631 0.04 . 1 . . . A 83 ILE HD13 . 11422 1 944 . 1 1 83 83 ILE C C 13 174.644 0.40 . 1 . . . A 83 ILE C . 11422 1 945 . 1 1 83 83 ILE CA C 13 60.145 0.40 . 1 . . . A 83 ILE CA . 11422 1 946 . 1 1 83 83 ILE CB C 13 38.309 0.40 . 1 . . . A 83 ILE CB . 11422 1 947 . 1 1 83 83 ILE CG1 C 13 27.493 0.40 . 1 . . . A 83 ILE CG1 . 11422 1 948 . 1 1 83 83 ILE CG2 C 13 17.897 0.40 . 1 . . . A 83 ILE CG2 . 11422 1 949 . 1 1 83 83 ILE CD1 C 13 12.104 0.40 . 1 . . . A 83 ILE CD1 . 11422 1 950 . 1 1 83 83 ILE N N 15 122.400 0.40 . 1 . . . A 83 ILE N . 11422 1 951 . 1 1 84 84 ILE H H 1 8.856 0.04 . 1 . . . A 84 ILE H . 11422 1 952 . 1 1 84 84 ILE HA H 1 4.577 0.04 . 1 . . . A 84 ILE HA . 11422 1 953 . 1 1 84 84 ILE HB H 1 1.756 0.04 . 1 . . . A 84 ILE HB . 11422 1 954 . 1 1 84 84 ILE HG12 H 1 1.359 0.04 . 2 . . . A 84 ILE HG12 . 11422 1 955 . 1 1 84 84 ILE HG13 H 1 1.113 0.04 . 2 . . . A 84 ILE HG13 . 11422 1 956 . 1 1 84 84 ILE HG21 H 1 0.726 0.04 . 1 . . . A 84 ILE HG21 . 11422 1 957 . 1 1 84 84 ILE HG22 H 1 0.726 0.04 . 1 . . . A 84 ILE HG22 . 11422 1 958 . 1 1 84 84 ILE HG23 H 1 0.726 0.04 . 1 . . . A 84 ILE HG23 . 11422 1 959 . 1 1 84 84 ILE HD11 H 1 0.673 0.04 . 1 . . . A 84 ILE HD11 . 11422 1 960 . 1 1 84 84 ILE HD12 H 1 0.673 0.04 . 1 . . . A 84 ILE HD12 . 11422 1 961 . 1 1 84 84 ILE HD13 H 1 0.673 0.04 . 1 . . . A 84 ILE HD13 . 11422 1 962 . 1 1 84 84 ILE C C 13 174.962 0.40 . 1 . . . A 84 ILE C . 11422 1 963 . 1 1 84 84 ILE CA C 13 59.645 0.40 . 1 . . . A 84 ILE CA . 11422 1 964 . 1 1 84 84 ILE CB C 13 38.711 0.40 . 1 . . . A 84 ILE CB . 11422 1 965 . 1 1 84 84 ILE CG1 C 13 27.542 0.40 . 1 . . . A 84 ILE CG1 . 11422 1 966 . 1 1 84 84 ILE CG2 C 13 17.688 0.40 . 1 . . . A 84 ILE CG2 . 11422 1 967 . 1 1 84 84 ILE CD1 C 13 12.603 0.40 . 1 . . . A 84 ILE CD1 . 11422 1 968 . 1 1 84 84 ILE N N 15 127.758 0.40 . 1 . . . A 84 ILE N . 11422 1 969 . 1 1 85 85 HIS H H 1 9.133 0.04 . 1 . . . A 85 HIS H . 11422 1 970 . 1 1 85 85 HIS HA H 1 4.961 0.04 . 1 . . . A 85 HIS HA . 11422 1 971 . 1 1 85 85 HIS HB2 H 1 3.245 0.04 . 2 . . . A 85 HIS HB2 . 11422 1 972 . 1 1 85 85 HIS HB3 H 1 2.775 0.04 . 2 . . . A 85 HIS HB3 . 11422 1 973 . 1 1 85 85 HIS HE1 H 1 9.138 0.04 . 1 . . . A 85 HIS HE1 . 11422 1 974 . 1 1 85 85 HIS C C 13 171.832 0.40 . 1 . . . A 85 HIS C . 11422 1 975 . 1 1 85 85 HIS CA C 13 53.240 0.40 . 1 . . . A 85 HIS CA . 11422 1 976 . 1 1 85 85 HIS CB C 13 31.473 0.40 . 1 . . . A 85 HIS CB . 11422 1 977 . 1 1 85 85 HIS N N 15 130.573 0.40 . 1 . . . A 85 HIS N . 11422 1 978 . 1 1 86 86 LEU H H 1 8.746 0.04 . 1 . . . A 86 LEU H . 11422 1 979 . 1 1 86 86 LEU HA H 1 4.892 0.04 . 1 . . . A 86 LEU HA . 11422 1 980 . 1 1 86 86 LEU HB2 H 1 1.299 0.04 . 2 . . . A 86 LEU HB2 . 11422 1 981 . 1 1 86 86 LEU HB3 H 1 1.671 0.04 . 2 . . . A 86 LEU HB3 . 11422 1 982 . 1 1 86 86 LEU HG H 1 1.290 0.04 . 1 . . . A 86 LEU HG . 11422 1 983 . 1 1 86 86 LEU HD11 H 1 0.684 0.04 . 2 . . . A 86 LEU HD11 . 11422 1 984 . 1 1 86 86 LEU HD12 H 1 0.684 0.04 . 2 . . . A 86 LEU HD12 . 11422 1 985 . 1 1 86 86 LEU HD13 H 1 0.684 0.04 . 2 . . . A 86 LEU HD13 . 11422 1 986 . 1 1 86 86 LEU HD21 H 1 0.724 0.04 . 2 . . . A 86 LEU HD21 . 11422 1 987 . 1 1 86 86 LEU HD22 H 1 0.724 0.04 . 2 . . . A 86 LEU HD22 . 11422 1 988 . 1 1 86 86 LEU HD23 H 1 0.724 0.04 . 2 . . . A 86 LEU HD23 . 11422 1 989 . 1 1 86 86 LEU C C 13 175.212 0.40 . 1 . . . A 86 LEU C . 11422 1 990 . 1 1 86 86 LEU CA C 13 54.434 0.40 . 1 . . . A 86 LEU CA . 11422 1 991 . 1 1 86 86 LEU CB C 13 45.461 0.40 . 1 . . . A 86 LEU CB . 11422 1 992 . 1 1 86 86 LEU CG C 13 28.241 0.40 . 1 . . . A 86 LEU CG . 11422 1 993 . 1 1 86 86 LEU CD1 C 13 26.820 0.40 . 2 . . . A 86 LEU CD1 . 11422 1 994 . 1 1 86 86 LEU CD2 C 13 25.409 0.40 . 2 . . . A 86 LEU CD2 . 11422 1 995 . 1 1 86 86 LEU N N 15 127.259 0.40 . 1 . . . A 86 LEU N . 11422 1 996 . 1 1 87 87 HIS H H 1 8.881 0.04 . 1 . . . A 87 HIS H . 11422 1 997 . 1 1 87 87 HIS HA H 1 5.074 0.04 . 1 . . . A 87 HIS HA . 11422 1 998 . 1 1 87 87 HIS HB2 H 1 3.075 0.04 . 2 . . . A 87 HIS HB2 . 11422 1 999 . 1 1 87 87 HIS HB3 H 1 3.208 0.04 . 2 . . . A 87 HIS HB3 . 11422 1 1000 . 1 1 87 87 HIS C C 13 174.560 0.40 . 1 . . . A 87 HIS C . 11422 1 1001 . 1 1 87 87 HIS CA C 13 54.846 0.40 . 1 . . . A 87 HIS CA . 11422 1 1002 . 1 1 87 87 HIS CB C 13 34.059 0.40 . 1 . . . A 87 HIS CB . 11422 1 1003 . 1 1 87 87 HIS N N 15 124.311 0.40 . 1 . . . A 87 HIS N . 11422 1 1004 . 1 1 88 88 ALA H H 1 9.282 0.04 . 1 . . . A 88 ALA H . 11422 1 1005 . 1 1 88 88 ALA HA H 1 5.640 0.04 . 1 . . . A 88 ALA HA . 11422 1 1006 . 1 1 88 88 ALA HB1 H 1 1.058 0.04 . 1 . . . A 88 ALA HB1 . 11422 1 1007 . 1 1 88 88 ALA HB2 H 1 1.058 0.04 . 1 . . . A 88 ALA HB2 . 11422 1 1008 . 1 1 88 88 ALA HB3 H 1 1.058 0.04 . 1 . . . A 88 ALA HB3 . 11422 1 1009 . 1 1 88 88 ALA C C 13 175.275 0.40 . 1 . . . A 88 ALA C . 11422 1 1010 . 1 1 88 88 ALA CA C 13 49.786 0.40 . 1 . . . A 88 ALA CA . 11422 1 1011 . 1 1 88 88 ALA CB C 13 21.262 0.40 . 1 . . . A 88 ALA CB . 11422 1 1012 . 1 1 88 88 ALA N N 15 125.567 0.40 . 1 . . . A 88 ALA N . 11422 1 1013 . 1 1 89 89 TRP H H 1 8.597 0.04 . 1 . . . A 89 TRP H . 11422 1 1014 . 1 1 89 89 TRP HA H 1 4.628 0.04 . 1 . . . A 89 TRP HA . 11422 1 1015 . 1 1 89 89 TRP HB2 H 1 2.574 0.04 . 2 . . . A 89 TRP HB2 . 11422 1 1016 . 1 1 89 89 TRP HB3 H 1 3.019 0.04 . 2 . . . A 89 TRP HB3 . 11422 1 1017 . 1 1 89 89 TRP HE1 H 1 10.500 0.04 . 1 . . . A 89 TRP HE1 . 11422 1 1018 . 1 1 89 89 TRP C C 13 174.087 0.40 . 1 . . . A 89 TRP C . 11422 1 1019 . 1 1 89 89 TRP CA C 13 55.886 0.40 . 1 . . . A 89 TRP CA . 11422 1 1020 . 1 1 89 89 TRP CB C 13 32.375 0.40 . 1 . . . A 89 TRP CB . 11422 1 1021 . 1 1 89 89 TRP N N 15 121.706 0.40 . 1 . . . A 89 TRP N . 11422 1 1022 . 1 1 89 89 TRP NE1 N 15 129.579 0.40 . 1 . . . . 89 TRP NE1 . 11422 1 1023 . 1 1 90 90 HIS H H 1 9.189 0.04 . 1 . . . A 90 HIS H . 11422 1 1024 . 1 1 90 90 HIS HA H 1 4.820 0.04 . 1 . . . A 90 HIS HA . 11422 1 1025 . 1 1 90 90 HIS HB2 H 1 2.790 0.04 . 2 . . . A 90 HIS HB2 . 11422 1 1026 . 1 1 90 90 HIS HB3 H 1 3.477 0.04 . 2 . . . A 90 HIS HB3 . 11422 1 1027 . 1 1 90 90 HIS C C 13 174.748 0.40 . 1 . . . A 90 HIS C . 11422 1 1028 . 1 1 90 90 HIS CA C 13 54.926 0.40 . 1 . . . A 90 HIS CA . 11422 1 1029 . 1 1 90 90 HIS CB C 13 33.694 0.40 . 1 . . . A 90 HIS CB . 11422 1 1030 . 1 1 90 90 HIS N N 15 124.827 0.40 . 1 . . . A 90 HIS N . 11422 1 1031 . 1 1 91 91 VAL H H 1 8.475 0.04 . 1 . . . A 91 VAL H . 11422 1 1032 . 1 1 91 91 VAL HA H 1 4.906 0.04 . 1 . . . A 91 VAL HA . 11422 1 1033 . 1 1 91 91 VAL C C 13 173.807 0.40 . 1 . . . A 91 VAL C . 11422 1 1034 . 1 1 91 91 VAL CA C 13 58.915 0.40 . 1 . . . A 91 VAL CA . 11422 1 1035 . 1 1 91 91 VAL CB C 13 33.794 0.40 . 1 . . . A 91 VAL CB . 11422 1 1036 . 1 1 91 91 VAL N N 15 128.646 0.40 . 1 . . . A 91 VAL N . 11422 1 1037 . 1 1 92 92 PRO HA H 1 4.523 0.04 . 1 . . . A 92 PRO HA . 11422 1 1038 . 1 1 92 92 PRO HB2 H 1 2.057 0.04 . 2 . . . A 92 PRO HB2 . 11422 1 1039 . 1 1 92 92 PRO HB3 H 1 1.830 0.04 . 2 . . . A 92 PRO HB3 . 11422 1 1040 . 1 1 92 92 PRO HG2 H 1 1.658 0.04 . 2 . . . A 92 PRO HG2 . 11422 1 1041 . 1 1 92 92 PRO HG3 H 1 1.832 0.04 . 2 . . . A 92 PRO HG3 . 11422 1 1042 . 1 1 92 92 PRO HD2 H 1 4.231 0.04 . 2 . . . A 92 PRO HD2 . 11422 1 1043 . 1 1 92 92 PRO HD3 H 1 4.226 0.04 . 2 . . . A 92 PRO HD3 . 11422 1 1044 . 1 1 92 92 PRO C C 13 175.108 0.40 . 1 . . . A 92 PRO C . 11422 1 1045 . 1 1 92 92 PRO CA C 13 62.466 0.40 . 1 . . . A 92 PRO CA . 11422 1 1046 . 1 1 92 92 PRO CB C 13 32.660 0.40 . 1 . . . A 92 PRO CB . 11422 1 1047 . 1 1 92 92 PRO CG C 13 25.676 0.40 . 1 . . . A 92 PRO CG . 11422 1 1048 . 1 1 92 92 PRO CD C 13 50.375 0.40 . 1 . . . A 92 PRO CD . 11422 1 1049 . 1 1 93 93 ASP H H 1 7.263 0.04 . 1 . . . A 93 ASP H . 11422 1 1050 . 1 1 93 93 ASP HA H 1 4.811 0.04 . 1 . . . A 93 ASP HA . 11422 1 1051 . 1 1 93 93 ASP HB2 H 1 2.556 0.04 . 2 . . . A 93 ASP HB2 . 11422 1 1052 . 1 1 93 93 ASP HB3 H 1 2.264 0.04 . 2 . . . A 93 ASP HB3 . 11422 1 1053 . 1 1 93 93 ASP C C 13 173.263 0.40 . 1 . . . A 93 ASP C . 11422 1 1054 . 1 1 93 93 ASP CA C 13 53.280 0.40 . 1 . . . A 93 ASP CA . 11422 1 1055 . 1 1 93 93 ASP CB C 13 44.042 0.40 . 1 . . . A 93 ASP CB . 11422 1 1056 . 1 1 93 93 ASP N N 15 115.999 0.40 . 1 . . . A 93 ASP N . 11422 1 1057 . 1 1 94 94 PHE H H 1 7.742 0.04 . 1 . . . A 94 PHE H . 11422 1 1058 . 1 1 94 94 PHE HA H 1 5.021 0.04 . 1 . . . A 94 PHE HA . 11422 1 1059 . 1 1 94 94 PHE HB2 H 1 2.547 0.04 . 2 . . . A 94 PHE HB2 . 11422 1 1060 . 1 1 94 94 PHE HB3 H 1 2.996 0.04 . 2 . . . A 94 PHE HB3 . 11422 1 1061 . 1 1 94 94 PHE C C 13 172.389 0.40 . 1 . . . A 94 PHE C . 11422 1 1062 . 1 1 94 94 PHE CA C 13 56.644 0.40 . 1 . . . A 94 PHE CA . 11422 1 1063 . 1 1 94 94 PHE CB C 13 41.341 0.40 . 1 . . . A 94 PHE CB . 11422 1 1064 . 1 1 94 94 PHE N N 15 114.359 0.40 . 1 . . . A 94 PHE N . 11422 1 1065 . 1 1 95 95 HIS H H 1 8.407 0.04 . 1 . . . A 95 HIS H . 11422 1 1066 . 1 1 95 95 HIS HA H 1 4.914 0.04 . 1 . . . A 95 HIS HA . 11422 1 1067 . 1 1 95 95 HIS HB2 H 1 3.028 0.04 . 2 . . . A 95 HIS HB2 . 11422 1 1068 . 1 1 95 95 HIS HB3 H 1 3.164 0.04 . 2 . . . A 95 HIS HB3 . 11422 1 1069 . 1 1 95 95 HIS C C 13 174.308 0.40 . 1 . . . A 95 HIS C . 11422 1 1070 . 1 1 95 95 HIS CA C 13 54.594 0.40 . 1 . . . A 95 HIS CA . 11422 1 1071 . 1 1 95 95 HIS CB C 13 32.323 0.40 . 1 . . . A 95 HIS CB . 11422 1 1072 . 1 1 95 95 HIS N N 15 117.549 0.40 . 1 . . . A 95 HIS N . 11422 1 1073 . 1 1 96 96 GLY H H 1 8.489 0.04 . 1 . . . A 96 GLY H . 11422 1 1074 . 1 1 96 96 GLY HA2 H 1 3.766 0.04 . 2 . . . A 96 GLY HA2 . 11422 1 1075 . 1 1 96 96 GLY HA3 H 1 4.648 0.04 . 2 . . . A 96 GLY HA3 . 11422 1 1076 . 1 1 96 96 GLY C C 13 172.812 0.40 . 1 . . . A 96 GLY C . 11422 1 1077 . 1 1 96 96 GLY CA C 13 43.669 0.40 . 1 . . . A 96 GLY CA . 11422 1 1078 . 1 1 96 96 GLY N N 15 111.858 0.40 . 1 . . . A 96 GLY N . 11422 1 1079 . 1 1 97 97 THR H H 1 8.178 0.04 . 1 . . . A 97 THR H . 11422 1 1080 . 1 1 97 97 THR HA H 1 4.304 0.04 . 1 . . . A 97 THR HA . 11422 1 1081 . 1 1 97 97 THR HB H 1 3.902 0.04 . 1 . . . A 97 THR HB . 11422 1 1082 . 1 1 97 97 THR HG21 H 1 1.131 0.04 . 1 . . . A 97 THR HG21 . 11422 1 1083 . 1 1 97 97 THR HG22 H 1 1.131 0.04 . 1 . . . A 97 THR HG22 . 11422 1 1084 . 1 1 97 97 THR HG23 H 1 1.131 0.04 . 1 . . . A 97 THR HG23 . 11422 1 1085 . 1 1 97 97 THR C C 13 173.147 0.40 . 1 . . . A 97 THR C . 11422 1 1086 . 1 1 97 97 THR CA C 13 61.636 0.40 . 1 . . . A 97 THR CA . 11422 1 1087 . 1 1 97 97 THR CB C 13 70.069 0.40 . 1 . . . A 97 THR CB . 11422 1 1088 . 1 1 97 97 THR CG2 C 13 21.602 0.40 . 1 . . . A 97 THR CG2 . 11422 1 1089 . 1 1 97 97 THR N N 15 116.547 0.40 . 1 . . . A 97 THR N . 11422 1 1090 . 1 1 98 98 LEU H H 1 8.276 0.04 . 1 . . . A 98 LEU H . 11422 1 1091 . 1 1 98 98 LEU HA H 1 4.113 0.04 . 1 . . . A 98 LEU HA . 11422 1 1092 . 1 1 98 98 LEU HB2 H 1 1.325 0.04 . 2 . . . A 98 LEU HB2 . 11422 1 1093 . 1 1 98 98 LEU HB3 H 1 1.488 0.04 . 2 . . . A 98 LEU HB3 . 11422 1 1094 . 1 1 98 98 LEU HG H 1 1.446 0.04 . 1 . . . A 98 LEU HG . 11422 1 1095 . 1 1 98 98 LEU HD11 H 1 0.801 0.04 . 2 . . . A 98 LEU HD11 . 11422 1 1096 . 1 1 98 98 LEU HD12 H 1 0.801 0.04 . 2 . . . A 98 LEU HD12 . 11422 1 1097 . 1 1 98 98 LEU HD13 H 1 0.801 0.04 . 2 . . . A 98 LEU HD13 . 11422 1 1098 . 1 1 98 98 LEU HD21 H 1 0.625 0.04 . 2 . . . A 98 LEU HD21 . 11422 1 1099 . 1 1 98 98 LEU HD22 H 1 0.625 0.04 . 2 . . . A 98 LEU HD22 . 11422 1 1100 . 1 1 98 98 LEU HD23 H 1 0.625 0.04 . 2 . . . A 98 LEU HD23 . 11422 1 1101 . 1 1 98 98 LEU C C 13 176.973 0.40 . 1 . . . A 98 LEU C . 11422 1 1102 . 1 1 98 98 LEU CA C 13 55.787 0.40 . 1 . . . A 98 LEU CA . 11422 1 1103 . 1 1 98 98 LEU CB C 13 42.768 0.40 . 1 . . . A 98 LEU CB . 11422 1 1104 . 1 1 98 98 LEU CG C 13 26.538 0.40 . 1 . . . A 98 LEU CG . 11422 1 1105 . 1 1 98 98 LEU CD1 C 13 26.601 0.40 . 2 . . . A 98 LEU CD1 . 11422 1 1106 . 1 1 98 98 LEU CD2 C 13 26.375 0.40 . 2 . . . A 98 LEU CD2 . 11422 1 1107 . 1 1 98 98 LEU N N 15 127.612 0.40 . 1 . . . A 98 LEU N . 11422 1 1108 . 1 1 99 99 GLN H H 1 8.513 0.04 . 1 . . . A 99 GLN H . 11422 1 1109 . 1 1 99 99 GLN HA H 1 4.192 0.04 . 1 . . . A 99 GLN HA . 11422 1 1110 . 1 1 99 99 GLN HB2 H 1 1.606 0.04 . 2 . . . A 99 GLN HB2 . 11422 1 1111 . 1 1 99 99 GLN HB3 H 1 1.650 0.04 . 2 . . . A 99 GLN HB3 . 11422 1 1112 . 1 1 99 99 GLN HG2 H 1 2.005 0.04 . 2 . . . A 99 GLN HG2 . 11422 1 1113 . 1 1 99 99 GLN HG3 H 1 2.003 0.04 . 2 . . . A 99 GLN HG3 . 11422 1 1114 . 1 1 99 99 GLN C C 13 173.062 0.40 . 1 . . . A 99 GLN C . 11422 1 1115 . 1 1 99 99 GLN CA C 13 54.955 0.40 . 1 . . . A 99 GLN CA . 11422 1 1116 . 1 1 99 99 GLN CB C 13 31.288 0.40 . 1 . . . A 99 GLN CB . 11422 1 1117 . 1 1 99 99 GLN CG C 13 33.369 0.40 . 1 . . . A 99 GLN CG . 11422 1 1118 . 1 1 99 99 GLN N N 15 127.120 0.40 . 1 . . . A 99 GLN N . 11422 1 1119 . 1 1 100 100 ALA H H 1 8.399 0.04 . 1 . . . A 100 ALA H . 11422 1 1120 . 1 1 100 100 ALA HA H 1 4.652 0.04 . 1 . . . A 100 ALA HA . 11422 1 1121 . 1 1 100 100 ALA HB1 H 1 1.182 0.04 . 1 . . . A 100 ALA HB1 . 11422 1 1122 . 1 1 100 100 ALA HB2 H 1 1.182 0.04 . 1 . . . A 100 ALA HB2 . 11422 1 1123 . 1 1 100 100 ALA HB3 H 1 1.182 0.04 . 1 . . . A 100 ALA HB3 . 11422 1 1124 . 1 1 100 100 ALA C C 13 177.663 0.40 . 1 . . . A 100 ALA C . 11422 1 1125 . 1 1 100 100 ALA CA C 13 51.816 0.40 . 1 . . . A 100 ALA CA . 11422 1 1126 . 1 1 100 100 ALA CB C 13 18.205 0.40 . 1 . . . A 100 ALA CB . 11422 1 1127 . 1 1 100 100 ALA N N 15 126.373 0.40 . 1 . . . A 100 ALA N . 11422 1 1128 . 1 1 101 101 HIS H H 1 8.267 0.04 . 1 . . . A 101 HIS H . 11422 1 1129 . 1 1 101 101 HIS HA H 1 4.582 0.04 . 1 . . . A 101 HIS HA . 11422 1 1130 . 1 1 101 101 HIS HB2 H 1 3.286 0.04 . 2 . . . A 101 HIS HB2 . 11422 1 1131 . 1 1 101 101 HIS HB3 H 1 3.338 0.04 . 2 . . . A 101 HIS HB3 . 11422 1 1132 . 1 1 101 101 HIS C C 13 174.995 0.40 . 1 . . . A 101 HIS C . 11422 1 1133 . 1 1 101 101 HIS CA C 13 57.749 0.40 . 1 . . . A 101 HIS CA . 11422 1 1134 . 1 1 101 101 HIS CB C 13 29.523 0.40 . 1 . . . A 101 HIS CB . 11422 1 1135 . 1 1 101 101 HIS N N 15 121.601 0.40 . 1 . . . A 101 HIS N . 11422 1 1136 . 1 1 102 102 GLU HA H 1 4.246 0.04 . 1 . . . A 102 GLU HA . 11422 1 1137 . 1 1 102 102 GLU HB2 H 1 1.718 0.04 . 2 . . . A 102 GLU HB2 . 11422 1 1138 . 1 1 102 102 GLU HB3 H 1 1.776 0.04 . 2 . . . A 102 GLU HB3 . 11422 1 1139 . 1 1 102 102 GLU HG2 H 1 1.929 0.04 . 2 . . . A 102 GLU HG2 . 11422 1 1140 . 1 1 102 102 GLU HG3 H 1 1.952 0.04 . 2 . . . A 102 GLU HG3 . 11422 1 1141 . 1 1 102 102 GLU C C 13 176.839 0.40 . 1 . . . A 102 GLU C . 11422 1 1142 . 1 1 102 102 GLU CA C 13 56.866 0.40 . 1 . . . A 102 GLU CA . 11422 1 1143 . 1 1 102 102 GLU CB C 13 31.009 0.40 . 1 . . . A 102 GLU CB . 11422 1 1144 . 1 1 102 102 GLU CG C 13 35.914 0.40 . 1 . . . A 102 GLU CG . 11422 1 1145 . 1 1 103 103 HIS H H 1 7.946 0.04 . 1 . . . A 103 HIS H . 11422 1 1146 . 1 1 103 103 HIS HA H 1 4.174 0.04 . 1 . . . A 103 HIS HA . 11422 1 1147 . 1 1 103 103 HIS HB2 H 1 2.425 0.04 . 2 . . . A 103 HIS HB2 . 11422 1 1148 . 1 1 103 103 HIS HB3 H 1 3.248 0.04 . 2 . . . A 103 HIS HB3 . 11422 1 1149 . 1 1 103 103 HIS C C 13 174.164 0.40 . 1 . . . A 103 HIS C . 11422 1 1150 . 1 1 103 103 HIS CA C 13 59.192 0.40 . 1 . . . A 103 HIS CA . 11422 1 1151 . 1 1 103 103 HIS CB C 13 30.463 0.40 . 1 . . . A 103 HIS CB . 11422 1 1152 . 1 1 103 103 HIS N N 15 116.369 0.40 . 1 . . . A 103 HIS N . 11422 1 1153 . 1 1 104 104 GLN H H 1 8.225 0.04 . 1 . . . A 104 GLN H . 11422 1 1154 . 1 1 104 104 GLN HA H 1 4.200 0.04 . 1 . . . A 104 GLN HA . 11422 1 1155 . 1 1 104 104 GLN HB2 H 1 1.923 0.04 . 2 . . . A 104 GLN HB2 . 11422 1 1156 . 1 1 104 104 GLN HB3 H 1 1.873 0.04 . 2 . . . A 104 GLN HB3 . 11422 1 1157 . 1 1 104 104 GLN HG2 H 1 1.923 0.04 . 2 . . . A 104 GLN HG2 . 11422 1 1158 . 1 1 104 104 GLN HG3 H 1 1.966 0.04 . 2 . . . A 104 GLN HG3 . 11422 1 1159 . 1 1 104 104 GLN C C 13 174.711 0.40 . 1 . . . A 104 GLN C . 11422 1 1160 . 1 1 104 104 GLN CA C 13 56.285 0.40 . 1 . . . A 104 GLN CA . 11422 1 1161 . 1 1 104 104 GLN CB C 13 30.308 0.40 . 1 . . . A 104 GLN CB . 11422 1 1162 . 1 1 104 104 GLN CG C 13 33.368 0.40 . 1 . . . A 104 GLN CG . 11422 1 1163 . 1 1 104 104 GLN N N 15 117.258 0.40 . 1 . . . A 104 GLN N . 11422 1 1164 . 1 1 105 105 ALA H H 1 7.110 0.04 . 1 . . . A 105 ALA H . 11422 1 1165 . 1 1 105 105 ALA HA H 1 4.419 0.04 . 1 . . . A 105 ALA HA . 11422 1 1166 . 1 1 105 105 ALA HB1 H 1 1.375 0.04 . 1 . . . A 105 ALA HB1 . 11422 1 1167 . 1 1 105 105 ALA HB2 H 1 1.375 0.04 . 1 . . . A 105 ALA HB2 . 11422 1 1168 . 1 1 105 105 ALA HB3 H 1 1.375 0.04 . 1 . . . A 105 ALA HB3 . 11422 1 1169 . 1 1 105 105 ALA C C 13 174.609 0.40 . 1 . . . A 105 ALA C . 11422 1 1170 . 1 1 105 105 ALA CA C 13 51.845 0.40 . 1 . . . A 105 ALA CA . 11422 1 1171 . 1 1 105 105 ALA CB C 13 22.170 0.40 . 1 . . . A 105 ALA CB . 11422 1 1172 . 1 1 105 105 ALA N N 15 119.053 0.40 . 1 . . . A 105 ALA N . 11422 1 1173 . 1 1 106 106 LEU H H 1 8.259 0.04 . 1 . . . A 106 LEU H . 11422 1 1174 . 1 1 106 106 LEU HA H 1 5.354 0.04 . 1 . . . A 106 LEU HA . 11422 1 1175 . 1 1 106 106 LEU HB2 H 1 1.103 0.04 . 2 . . . A 106 LEU HB2 . 11422 1 1176 . 1 1 106 106 LEU HB3 H 1 1.578 0.04 . 2 . . . A 106 LEU HB3 . 11422 1 1177 . 1 1 106 106 LEU HG H 1 1.409 0.04 . 1 . . . A 106 LEU HG . 11422 1 1178 . 1 1 106 106 LEU HD11 H 1 0.644 0.04 . 2 . . . A 106 LEU HD11 . 11422 1 1179 . 1 1 106 106 LEU HD12 H 1 0.644 0.04 . 2 . . . A 106 LEU HD12 . 11422 1 1180 . 1 1 106 106 LEU HD13 H 1 0.644 0.04 . 2 . . . A 106 LEU HD13 . 11422 1 1181 . 1 1 106 106 LEU HD21 H 1 0.659 0.04 . 2 . . . A 106 LEU HD21 . 11422 1 1182 . 1 1 106 106 LEU HD22 H 1 0.659 0.04 . 2 . . . A 106 LEU HD22 . 11422 1 1183 . 1 1 106 106 LEU HD23 H 1 0.659 0.04 . 2 . . . A 106 LEU HD23 . 11422 1 1184 . 1 1 106 106 LEU C C 13 176.409 0.40 . 1 . . . A 106 LEU C . 11422 1 1185 . 1 1 106 106 LEU CA C 13 53.741 0.40 . 1 . . . A 106 LEU CA . 11422 1 1186 . 1 1 106 106 LEU CB C 13 45.392 0.40 . 1 . . . A 106 LEU CB . 11422 1 1187 . 1 1 106 106 LEU CG C 13 25.705 0.40 . 1 . . . A 106 LEU CG . 11422 1 1188 . 1 1 106 106 LEU CD1 C 13 26.225 0.40 . 2 . . . A 106 LEU CD1 . 11422 1 1189 . 1 1 106 106 LEU CD2 C 13 23.166 0.40 . 2 . . . A 106 LEU CD2 . 11422 1 1190 . 1 1 106 106 LEU N N 15 119.989 0.40 . 1 . . . A 106 LEU N . 11422 1 1191 . 1 1 107 107 VAL H H 1 8.743 0.04 . 1 . . . A 107 VAL H . 11422 1 1192 . 1 1 107 107 VAL HA H 1 4.350 0.04 . 1 . . . A 107 VAL HA . 11422 1 1193 . 1 1 107 107 VAL HB H 1 1.597 0.04 . 1 . . . A 107 VAL HB . 11422 1 1194 . 1 1 107 107 VAL HG11 H 1 0.630 0.04 . 2 . . . A 107 VAL HG11 . 11422 1 1195 . 1 1 107 107 VAL HG12 H 1 0.630 0.04 . 2 . . . A 107 VAL HG12 . 11422 1 1196 . 1 1 107 107 VAL HG13 H 1 0.630 0.04 . 2 . . . A 107 VAL HG13 . 11422 1 1197 . 1 1 107 107 VAL HG21 H 1 0.242 0.04 . 2 . . . A 107 VAL HG21 . 11422 1 1198 . 1 1 107 107 VAL HG22 H 1 0.242 0.04 . 2 . . . A 107 VAL HG22 . 11422 1 1199 . 1 1 107 107 VAL HG23 H 1 0.242 0.04 . 2 . . . A 107 VAL HG23 . 11422 1 1200 . 1 1 107 107 VAL C C 13 171.797 0.40 . 1 . . . A 107 VAL C . 11422 1 1201 . 1 1 107 107 VAL CA C 13 60.905 0.40 . 1 . . . A 107 VAL CA . 11422 1 1202 . 1 1 107 107 VAL CB C 13 36.181 0.40 . 1 . . . A 107 VAL CB . 11422 1 1203 . 1 1 107 107 VAL CG1 C 13 21.625 0.40 . 2 . . . A 107 VAL CG1 . 11422 1 1204 . 1 1 107 107 VAL CG2 C 13 20.646 0.40 . 2 . . . A 107 VAL CG2 . 11422 1 1205 . 1 1 107 107 VAL N N 15 121.846 0.40 . 1 . . . A 107 VAL N . 11422 1 1206 . 1 1 108 108 TRP H H 1 8.146 0.04 . 1 . . . A 108 TRP H . 11422 1 1207 . 1 1 108 108 TRP HA H 1 5.334 0.04 . 1 . . . A 108 TRP HA . 11422 1 1208 . 1 1 108 108 TRP HB2 H 1 2.789 0.04 . 2 . . . A 108 TRP HB2 . 11422 1 1209 . 1 1 108 108 TRP HB3 H 1 2.947 0.04 . 2 . . . A 108 TRP HB3 . 11422 1 1210 . 1 1 108 108 TRP HE1 H 1 9.777 0.04 . 1 . . . A 108 TRP HE1 . 11422 1 1211 . 1 1 108 108 TRP C C 13 176.834 0.40 . 1 . . . A 108 TRP C . 11422 1 1212 . 1 1 108 108 TRP CA C 13 54.845 0.40 . 1 . . . A 108 TRP CA . 11422 1 1213 . 1 1 108 108 TRP CB C 13 30.707 0.40 . 1 . . . A 108 TRP CB . 11422 1 1214 . 1 1 108 108 TRP N N 15 124.664 0.40 . 1 . . . A 108 TRP N . 11422 1 1215 . 1 1 108 108 TRP NE1 N 15 129.010 0.40 . 1 . . . . 108 TRP NE1 . 11422 1 1216 . 1 1 109 109 CYS H H 1 9.445 0.04 . 1 . . . A 109 CYS H . 11422 1 1217 . 1 1 109 109 CYS HA H 1 5.035 0.04 . 1 . . . A 109 CYS HA . 11422 1 1218 . 1 1 109 109 CYS HB2 H 1 2.784 0.04 . 2 . . . A 109 CYS HB2 . 11422 1 1219 . 1 1 109 109 CYS HB3 H 1 2.734 0.04 . 2 . . . A 109 CYS HB3 . 11422 1 1220 . 1 1 109 109 CYS C C 13 173.558 0.40 . 1 . . . A 109 CYS C . 11422 1 1221 . 1 1 109 109 CYS CA C 13 55.952 0.40 . 1 . . . A 109 CYS CA . 11422 1 1222 . 1 1 109 109 CYS CB C 13 30.894 0.40 . 1 . . . A 109 CYS CB . 11422 1 1223 . 1 1 109 109 CYS N N 15 120.093 0.40 . 1 . . . A 109 CYS N . 11422 1 1224 . 1 1 110 110 SER H H 1 9.385 0.04 . 1 . . . A 110 SER H . 11422 1 1225 . 1 1 110 110 SER HA H 1 4.872 0.04 . 1 . . . A 110 SER HA . 11422 1 1226 . 1 1 110 110 SER HB2 H 1 4.027 0.04 . 2 . . . A 110 SER HB2 . 11422 1 1227 . 1 1 110 110 SER HB3 H 1 4.309 0.04 . 2 . . . A 110 SER HB3 . 11422 1 1228 . 1 1 110 110 SER C C 13 173.446 0.40 . 1 . . . A 110 SER C . 11422 1 1229 . 1 1 110 110 SER CA C 13 57.821 0.40 . 1 . . . A 110 SER CA . 11422 1 1230 . 1 1 110 110 SER CB C 13 62.395 0.40 . 1 . . . A 110 SER CB . 11422 1 1231 . 1 1 110 110 SER N N 15 120.859 0.40 . 1 . . . A 110 SER N . 11422 1 1232 . 1 1 111 111 PRO HA H 1 4.046 0.04 . 1 . . . A 111 PRO HA . 11422 1 1233 . 1 1 111 111 PRO HB2 H 1 2.076 0.04 . 2 . . . A 111 PRO HB2 . 11422 1 1234 . 1 1 111 111 PRO HB3 H 1 2.257 0.04 . 2 . . . A 111 PRO HB3 . 11422 1 1235 . 1 1 111 111 PRO HG2 H 1 2.331 0.04 . 2 . . . A 111 PRO HG2 . 11422 1 1236 . 1 1 111 111 PRO HG3 H 1 1.886 0.04 . 2 . . . A 111 PRO HG3 . 11422 1 1237 . 1 1 111 111 PRO HD2 H 1 3.998 0.04 . 2 . . . A 111 PRO HD2 . 11422 1 1238 . 1 1 111 111 PRO HD3 H 1 4.056 0.04 . 2 . . . A 111 PRO HD3 . 11422 1 1239 . 1 1 111 111 PRO C C 13 176.108 0.40 . 1 . . . A 111 PRO C . 11422 1 1240 . 1 1 111 111 PRO CA C 13 66.791 0.40 . 1 . . . A 111 PRO CA . 11422 1 1241 . 1 1 111 111 PRO CB C 13 31.954 0.40 . 1 . . . A 111 PRO CB . 11422 1 1242 . 1 1 111 111 PRO CG C 13 28.642 0.40 . 1 . . . A 111 PRO CG . 11422 1 1243 . 1 1 111 111 PRO CD C 13 49.959 0.40 . 1 . . . A 111 PRO CD . 11422 1 1244 . 1 1 112 112 GLU H H 1 8.752 0.04 . 1 . . . A 112 GLU H . 11422 1 1245 . 1 1 112 112 GLU HA H 1 3.816 0.04 . 1 . . . A 112 GLU HA . 11422 1 1246 . 1 1 112 112 GLU HB2 H 1 1.832 0.04 . 2 . . . A 112 GLU HB2 . 11422 1 1247 . 1 1 112 112 GLU HB3 H 1 1.956 0.04 . 2 . . . A 112 GLU HB3 . 11422 1 1248 . 1 1 112 112 GLU HG2 H 1 2.125 0.04 . 2 . . . A 112 GLU HG2 . 11422 1 1249 . 1 1 112 112 GLU HG3 H 1 2.349 0.04 . 2 . . . A 112 GLU HG3 . 11422 1 1250 . 1 1 112 112 GLU C C 13 179.673 0.40 . 1 . . . A 112 GLU C . 11422 1 1251 . 1 1 112 112 GLU CA C 13 60.624 0.40 . 1 . . . A 112 GLU CA . 11422 1 1252 . 1 1 112 112 GLU CB C 13 28.596 0.40 . 1 . . . A 112 GLU CB . 11422 1 1253 . 1 1 112 112 GLU CG C 13 37.243 0.40 . 1 . . . A 112 GLU CG . 11422 1 1254 . 1 1 112 112 GLU N N 15 113.610 0.40 . 1 . . . A 112 GLU N . 11422 1 1255 . 1 1 113 113 GLU H H 1 7.721 0.04 . 1 . . . A 113 GLU H . 11422 1 1256 . 1 1 113 113 GLU HA H 1 3.955 0.04 . 1 . . . A 113 GLU HA . 11422 1 1257 . 1 1 113 113 GLU HB2 H 1 1.946 0.04 . 2 . . . A 113 GLU HB2 . 11422 1 1258 . 1 1 113 113 GLU HB3 H 1 2.242 0.04 . 2 . . . A 113 GLU HB3 . 11422 1 1259 . 1 1 113 113 GLU HG2 H 1 2.240 0.04 . 2 . . . A 113 GLU HG2 . 11422 1 1260 . 1 1 113 113 GLU HG3 H 1 2.240 0.04 . 2 . . . A 113 GLU HG3 . 11422 1 1261 . 1 1 113 113 GLU C C 13 179.419 0.40 . 1 . . . A 113 GLU C . 11422 1 1262 . 1 1 113 113 GLU CA C 13 58.326 0.40 . 1 . . . A 113 GLU CA . 11422 1 1263 . 1 1 113 113 GLU CB C 13 30.516 0.40 . 1 . . . A 113 GLU CB . 11422 1 1264 . 1 1 113 113 GLU CG C 13 37.237 0.40 . 1 . . . A 113 GLU CG . 11422 1 1265 . 1 1 113 113 GLU N N 15 120.571 0.40 . 1 . . . A 113 GLU N . 11422 1 1266 . 1 1 114 114 ALA H H 1 8.263 0.04 . 1 . . . A 114 ALA H . 11422 1 1267 . 1 1 114 114 ALA HA H 1 3.752 0.04 . 1 . . . A 114 ALA HA . 11422 1 1268 . 1 1 114 114 ALA HB1 H 1 1.292 0.04 . 1 . . . A 114 ALA HB1 . 11422 1 1269 . 1 1 114 114 ALA HB2 H 1 1.292 0.04 . 1 . . . A 114 ALA HB2 . 11422 1 1270 . 1 1 114 114 ALA HB3 H 1 1.292 0.04 . 1 . . . A 114 ALA HB3 . 11422 1 1271 . 1 1 114 114 ALA C C 13 178.049 0.40 . 1 . . . A 114 ALA C . 11422 1 1272 . 1 1 114 114 ALA CA C 13 54.991 0.40 . 1 . . . A 114 ALA CA . 11422 1 1273 . 1 1 114 114 ALA CB C 13 18.740 0.40 . 1 . . . A 114 ALA CB . 11422 1 1274 . 1 1 114 114 ALA N N 15 123.836 0.40 . 1 . . . A 114 ALA N . 11422 1 1275 . 1 1 115 115 LEU H H 1 7.060 0.04 . 1 . . . A 115 LEU H . 11422 1 1276 . 1 1 115 115 LEU HA H 1 3.969 0.04 . 1 . . . A 115 LEU HA . 11422 1 1277 . 1 1 115 115 LEU HB2 H 1 1.700 0.04 . 2 . . . A 115 LEU HB2 . 11422 1 1278 . 1 1 115 115 LEU HB3 H 1 1.522 0.04 . 2 . . . A 115 LEU HB3 . 11422 1 1279 . 1 1 115 115 LEU HG H 1 1.775 0.04 . 1 . . . A 115 LEU HG . 11422 1 1280 . 1 1 115 115 LEU HD11 H 1 0.851 0.04 . 2 . . . A 115 LEU HD11 . 11422 1 1281 . 1 1 115 115 LEU HD12 H 1 0.851 0.04 . 2 . . . A 115 LEU HD12 . 11422 1 1282 . 1 1 115 115 LEU HD13 H 1 0.851 0.04 . 2 . . . A 115 LEU HD13 . 11422 1 1283 . 1 1 115 115 LEU HD21 H 1 0.784 0.04 . 2 . . . A 115 LEU HD21 . 11422 1 1284 . 1 1 115 115 LEU HD22 H 1 0.784 0.04 . 2 . . . A 115 LEU HD22 . 11422 1 1285 . 1 1 115 115 LEU HD23 H 1 0.784 0.04 . 2 . . . A 115 LEU HD23 . 11422 1 1286 . 1 1 115 115 LEU C C 13 178.037 0.40 . 1 . . . A 115 LEU C . 11422 1 1287 . 1 1 115 115 LEU CA C 13 56.347 0.40 . 1 . . . A 115 LEU CA . 11422 1 1288 . 1 1 115 115 LEU CB C 13 42.279 0.40 . 1 . . . A 115 LEU CB . 11422 1 1289 . 1 1 115 115 LEU CG C 13 26.681 0.40 . 1 . . . A 115 LEU CG . 11422 1 1290 . 1 1 115 115 LEU CD1 C 13 25.511 0.40 . 2 . . . A 115 LEU CD1 . 11422 1 1291 . 1 1 115 115 LEU CD2 C 13 23.358 0.40 . 2 . . . A 115 LEU CD2 . 11422 1 1292 . 1 1 115 115 LEU N N 15 113.211 0.40 . 1 . . . A 115 LEU N . 11422 1 1293 . 1 1 116 116 GLN H H 1 7.583 0.04 . 1 . . . A 116 GLN H . 11422 1 1294 . 1 1 116 116 GLN HA H 1 4.189 0.04 . 1 . . . A 116 GLN HA . 11422 1 1295 . 1 1 116 116 GLN HB2 H 1 1.925 0.04 . 2 . . . A 116 GLN HB2 . 11422 1 1296 . 1 1 116 116 GLN HB3 H 1 2.117 0.04 . 2 . . . A 116 GLN HB3 . 11422 1 1297 . 1 1 116 116 GLN HG2 H 1 2.248 0.04 . 2 . . . A 116 GLN HG2 . 11422 1 1298 . 1 1 116 116 GLN HG3 H 1 2.273 0.04 . 2 . . . A 116 GLN HG3 . 11422 1 1299 . 1 1 116 116 GLN C C 13 177.053 0.40 . 1 . . . A 116 GLN C . 11422 1 1300 . 1 1 116 116 GLN CA C 13 55.205 0.40 . 1 . . . A 116 GLN CA . 11422 1 1301 . 1 1 116 116 GLN CB C 13 28.622 0.40 . 1 . . . A 116 GLN CB . 11422 1 1302 . 1 1 116 116 GLN CG C 13 33.718 0.40 . 1 . . . A 116 GLN CG . 11422 1 1303 . 1 1 116 116 GLN N N 15 114.976 0.40 . 1 . . . A 116 GLN N . 11422 1 1304 . 1 1 117 117 TYR H H 1 7.657 0.04 . 1 . . . A 117 TYR H . 11422 1 1305 . 1 1 117 117 TYR HA H 1 4.126 0.04 . 1 . . . A 117 TYR HA . 11422 1 1306 . 1 1 117 117 TYR HB2 H 1 2.913 0.04 . 2 . . . A 117 TYR HB2 . 11422 1 1307 . 1 1 117 117 TYR HB3 H 1 1.879 0.04 . 2 . . . A 117 TYR HB3 . 11422 1 1308 . 1 1 117 117 TYR HD1 H 1 6.056 0.04 . 3 . . . A 117 TYR HD1 . 11422 1 1309 . 1 1 117 117 TYR HE1 H 1 7.461 0.04 . 3 . . . A 117 TYR HE1 . 11422 1 1310 . 1 1 117 117 TYR C C 13 174.398 0.40 . 1 . . . A 117 TYR C . 11422 1 1311 . 1 1 117 117 TYR CA C 13 57.628 0.40 . 1 . . . A 117 TYR CA . 11422 1 1312 . 1 1 117 117 TYR CB C 13 38.221 0.40 . 1 . . . A 117 TYR CB . 11422 1 1313 . 1 1 117 117 TYR N N 15 123.388 0.40 . 1 . . . A 117 TYR N . 11422 1 1314 . 1 1 118 118 PRO HA H 1 4.635 0.04 . 1 . . . A 118 PRO HA . 11422 1 1315 . 1 1 118 118 PRO HB2 H 1 2.398 0.04 . 2 . . . A 118 PRO HB2 . 11422 1 1316 . 1 1 118 118 PRO HB3 H 1 2.001 0.04 . 2 . . . A 118 PRO HB3 . 11422 1 1317 . 1 1 118 118 PRO HG2 H 1 2.084 0.04 . 2 . . . A 118 PRO HG2 . 11422 1 1318 . 1 1 118 118 PRO HG3 H 1 2.487 0.04 . 2 . . . A 118 PRO HG3 . 11422 1 1319 . 1 1 118 118 PRO HD2 H 1 3.489 0.04 . 2 . . . A 118 PRO HD2 . 11422 1 1320 . 1 1 118 118 PRO HD3 H 1 3.614 0.04 . 2 . . . A 118 PRO HD3 . 11422 1 1321 . 1 1 118 118 PRO C C 13 173.952 0.40 . 1 . . . A 118 PRO C . 11422 1 1322 . 1 1 118 118 PRO CA C 13 61.802 0.40 . 1 . . . A 118 PRO CA . 11422 1 1323 . 1 1 118 118 PRO CB C 13 28.477 0.40 . 1 . . . A 118 PRO CB . 11422 1 1324 . 1 1 118 118 PRO CG C 13 28.140 0.40 . 1 . . . A 118 PRO CG . 11422 1 1325 . 1 1 118 118 PRO CD C 13 49.886 0.40 . 1 . . . A 118 PRO CD . 11422 1 1326 . 1 1 119 119 LEU H H 1 7.539 0.04 . 1 . . . A 119 LEU H . 11422 1 1327 . 1 1 119 119 LEU HA H 1 4.778 0.04 . 1 . . . A 119 LEU HA . 11422 1 1328 . 1 1 119 119 LEU HB2 H 1 1.352 0.04 . 2 . . . A 119 LEU HB2 . 11422 1 1329 . 1 1 119 119 LEU HB3 H 1 1.200 0.04 . 2 . . . A 119 LEU HB3 . 11422 1 1330 . 1 1 119 119 LEU HG H 1 1.604 0.04 . 1 . . . A 119 LEU HG . 11422 1 1331 . 1 1 119 119 LEU HD11 H 1 0.514 0.04 . 2 . . . A 119 LEU HD11 . 11422 1 1332 . 1 1 119 119 LEU HD12 H 1 0.514 0.04 . 2 . . . A 119 LEU HD12 . 11422 1 1333 . 1 1 119 119 LEU HD13 H 1 0.514 0.04 . 2 . . . A 119 LEU HD13 . 11422 1 1334 . 1 1 119 119 LEU HD21 H 1 0.382 0.04 . 2 . . . A 119 LEU HD21 . 11422 1 1335 . 1 1 119 119 LEU HD22 H 1 0.382 0.04 . 2 . . . A 119 LEU HD22 . 11422 1 1336 . 1 1 119 119 LEU HD23 H 1 0.382 0.04 . 2 . . . A 119 LEU HD23 . 11422 1 1337 . 1 1 119 119 LEU C C 13 177.407 0.40 . 1 . . . A 119 LEU C . 11422 1 1338 . 1 1 119 119 LEU CA C 13 53.718 0.40 . 1 . . . A 119 LEU CA . 11422 1 1339 . 1 1 119 119 LEU CB C 13 44.021 0.40 . 1 . . . A 119 LEU CB . 11422 1 1340 . 1 1 119 119 LEU CG C 13 26.870 0.40 . 1 . . . A 119 LEU CG . 11422 1 1341 . 1 1 119 119 LEU CD1 C 13 26.044 0.40 . 2 . . . A 119 LEU CD1 . 11422 1 1342 . 1 1 119 119 LEU CD2 C 13 24.430 0.40 . 2 . . . A 119 LEU CD2 . 11422 1 1343 . 1 1 119 119 LEU N N 15 129.205 0.40 . 1 . . . A 119 LEU N . 11422 1 1344 . 1 1 120 120 ALA H H 1 8.747 0.04 . 1 . . . A 120 ALA H . 11422 1 1345 . 1 1 120 120 ALA HA H 1 4.226 0.04 . 1 . . . A 120 ALA HA . 11422 1 1346 . 1 1 120 120 ALA HB1 H 1 1.251 0.04 . 1 . . . A 120 ALA HB1 . 11422 1 1347 . 1 1 120 120 ALA HB2 H 1 1.251 0.04 . 1 . . . A 120 ALA HB2 . 11422 1 1348 . 1 1 120 120 ALA HB3 H 1 1.251 0.04 . 1 . . . A 120 ALA HB3 . 11422 1 1349 . 1 1 120 120 ALA C C 13 177.139 0.40 . 1 . . . A 120 ALA C . 11422 1 1350 . 1 1 120 120 ALA CA C 13 50.259 0.40 . 1 . . . A 120 ALA CA . 11422 1 1351 . 1 1 120 120 ALA CB C 13 16.609 0.40 . 1 . . . A 120 ALA CB . 11422 1 1352 . 1 1 120 120 ALA N N 15 126.591 0.40 . 1 . . . A 120 ALA N . 11422 1 1353 . 1 1 121 121 PRO HA H 1 3.993 0.04 . 1 . . . A 121 PRO HA . 11422 1 1354 . 1 1 121 121 PRO HB2 H 1 2.284 0.04 . 2 . . . A 121 PRO HB2 . 11422 1 1355 . 1 1 121 121 PRO HB3 H 1 1.767 0.04 . 2 . . . A 121 PRO HB3 . 11422 1 1356 . 1 1 121 121 PRO HG2 H 1 1.995 0.04 . 2 . . . A 121 PRO HG2 . 11422 1 1357 . 1 1 121 121 PRO HG3 H 1 1.998 0.04 . 2 . . . A 121 PRO HG3 . 11422 1 1358 . 1 1 121 121 PRO C C 13 179.542 0.40 . 1 . . . A 121 PRO C . 11422 1 1359 . 1 1 121 121 PRO CA C 13 65.495 0.40 . 1 . . . A 121 PRO CA . 11422 1 1360 . 1 1 121 121 PRO CB C 13 31.783 0.40 . 1 . . . A 121 PRO CB . 11422 1 1361 . 1 1 121 121 PRO CG C 13 27.552 0.40 . 1 . . . A 121 PRO CG . 11422 1 1362 . 1 1 121 121 PRO CD C 13 50.543 0.40 . 1 . . . A 121 PRO CD . 11422 1 1363 . 1 1 122 122 ALA H H 1 8.498 0.04 . 1 . . . A 122 ALA H . 11422 1 1364 . 1 1 122 122 ALA HA H 1 3.726 0.04 . 1 . . . A 122 ALA HA . 11422 1 1365 . 1 1 122 122 ALA HB1 H 1 1.213 0.04 . 1 . . . A 122 ALA HB1 . 11422 1 1366 . 1 1 122 122 ALA HB2 H 1 1.213 0.04 . 1 . . . A 122 ALA HB2 . 11422 1 1367 . 1 1 122 122 ALA HB3 H 1 1.213 0.04 . 1 . . . A 122 ALA HB3 . 11422 1 1368 . 1 1 122 122 ALA C C 13 176.230 0.40 . 1 . . . A 122 ALA C . 11422 1 1369 . 1 1 122 122 ALA CA C 13 54.068 0.40 . 1 . . . A 122 ALA CA . 11422 1 1370 . 1 1 122 122 ALA CB C 13 19.158 0.40 . 1 . . . A 122 ALA CB . 11422 1 1371 . 1 1 122 122 ALA N N 15 118.748 0.40 . 1 . . . A 122 ALA N . 11422 1 1372 . 1 1 123 123 ASP H H 1 7.778 0.04 . 1 . . . A 123 ASP H . 11422 1 1373 . 1 1 123 123 ASP HA H 1 4.514 0.04 . 1 . . . A 123 ASP HA . 11422 1 1374 . 1 1 123 123 ASP HB2 H 1 2.630 0.04 . 2 . . . A 123 ASP HB2 . 11422 1 1375 . 1 1 123 123 ASP HB3 H 1 2.315 0.04 . 2 . . . A 123 ASP HB3 . 11422 1 1376 . 1 1 123 123 ASP C C 13 177.445 0.40 . 1 . . . A 123 ASP C . 11422 1 1377 . 1 1 123 123 ASP CA C 13 54.428 0.40 . 1 . . . A 123 ASP CA . 11422 1 1378 . 1 1 123 123 ASP CB C 13 39.368 0.40 . 1 . . . A 123 ASP CB . 11422 1 1379 . 1 1 123 123 ASP N N 15 109.918 0.40 . 1 . . . A 123 ASP N . 11422 1 1380 . 1 1 124 124 ILE H H 1 7.329 0.04 . 1 . . . A 124 ILE H . 11422 1 1381 . 1 1 124 124 ILE HA H 1 3.511 0.04 . 1 . . . A 124 ILE HA . 11422 1 1382 . 1 1 124 124 ILE HB H 1 1.901 0.04 . 1 . . . A 124 ILE HB . 11422 1 1383 . 1 1 124 124 ILE C C 13 174.908 0.40 . 1 . . . A 124 ILE C . 11422 1 1384 . 1 1 124 124 ILE CA C 13 67.945 0.40 . 1 . . . A 124 ILE CA . 11422 1 1385 . 1 1 124 124 ILE CB C 13 35.666 0.40 . 1 . . . A 124 ILE CB . 11422 1 1386 . 1 1 124 124 ILE N N 15 121.717 0.40 . 1 . . . A 124 ILE N . 11422 1 1387 . 1 1 125 125 PRO HA H 1 4.383 0.04 . 1 . . . A 125 PRO HA . 11422 1 1388 . 1 1 125 125 PRO HB2 H 1 2.125 0.04 . 2 . . . A 125 PRO HB2 . 11422 1 1389 . 1 1 125 125 PRO HB3 H 1 1.291 0.04 . 2 . . . A 125 PRO HB3 . 11422 1 1390 . 1 1 125 125 PRO HG2 H 1 1.309 0.04 . 2 . . . A 125 PRO HG2 . 11422 1 1391 . 1 1 125 125 PRO HG3 H 1 1.057 0.04 . 2 . . . A 125 PRO HG3 . 11422 1 1392 . 1 1 125 125 PRO HD2 H 1 3.500 0.04 . 2 . . . A 125 PRO HD2 . 11422 1 1393 . 1 1 125 125 PRO HD3 H 1 3.354 0.04 . 2 . . . A 125 PRO HD3 . 11422 1 1394 . 1 1 125 125 PRO C C 13 179.781 0.40 . 1 . . . A 125 PRO C . 11422 1 1395 . 1 1 125 125 PRO CA C 13 64.897 0.40 . 1 . . . A 125 PRO CA . 11422 1 1396 . 1 1 125 125 PRO CB C 13 31.060 0.40 . 1 . . . A 125 PRO CB . 11422 1 1397 . 1 1 125 125 PRO CG C 13 27.254 0.40 . 1 . . . A 125 PRO CG . 11422 1 1398 . 1 1 125 125 PRO CD C 13 49.634 0.40 . 1 . . . A 125 PRO CD . 11422 1 1399 . 1 1 126 126 LEU H H 1 6.491 0.04 . 1 . . . A 126 LEU H . 11422 1 1400 . 1 1 126 126 LEU HA H 1 3.817 0.04 . 1 . . . A 126 LEU HA . 11422 1 1401 . 1 1 126 126 LEU HB2 H 1 2.122 0.04 . 2 . . . A 126 LEU HB2 . 11422 1 1402 . 1 1 126 126 LEU HB3 H 1 1.077 0.04 . 2 . . . A 126 LEU HB3 . 11422 1 1403 . 1 1 126 126 LEU HG H 1 1.867 0.04 . 1 . . . A 126 LEU HG . 11422 1 1404 . 1 1 126 126 LEU HD11 H 1 0.893 0.04 . 2 . . . A 126 LEU HD11 . 11422 1 1405 . 1 1 126 126 LEU HD12 H 1 0.893 0.04 . 2 . . . A 126 LEU HD12 . 11422 1 1406 . 1 1 126 126 LEU HD13 H 1 0.893 0.04 . 2 . . . A 126 LEU HD13 . 11422 1 1407 . 1 1 126 126 LEU HD21 H 1 0.582 0.04 . 2 . . . A 126 LEU HD21 . 11422 1 1408 . 1 1 126 126 LEU HD22 H 1 0.582 0.04 . 2 . . . A 126 LEU HD22 . 11422 1 1409 . 1 1 126 126 LEU HD23 H 1 0.582 0.04 . 2 . . . A 126 LEU HD23 . 11422 1 1410 . 1 1 126 126 LEU C C 13 177.594 0.40 . 1 . . . A 126 LEU C . 11422 1 1411 . 1 1 126 126 LEU CA C 13 57.072 0.40 . 1 . . . A 126 LEU CA . 11422 1 1412 . 1 1 126 126 LEU CB C 13 40.450 0.40 . 1 . . . A 126 LEU CB . 11422 1 1413 . 1 1 126 126 LEU CG C 13 25.909 0.40 . 1 . . . A 126 LEU CG . 11422 1 1414 . 1 1 126 126 LEU CD1 C 13 25.914 0.40 . 2 . . . A 126 LEU CD1 . 11422 1 1415 . 1 1 126 126 LEU CD2 C 13 21.501 0.40 . 2 . . . A 126 LEU CD2 . 11422 1 1416 . 1 1 126 126 LEU N N 15 116.119 0.40 . 1 . . . A 126 LEU N . 11422 1 1417 . 1 1 127 127 LEU H H 1 8.080 0.04 . 1 . . . A 127 LEU H . 11422 1 1418 . 1 1 127 127 LEU HA H 1 4.072 0.04 . 1 . . . A 127 LEU HA . 11422 1 1419 . 1 1 127 127 LEU HB2 H 1 1.478 0.04 . 2 . . . A 127 LEU HB2 . 11422 1 1420 . 1 1 127 127 LEU HB3 H 1 2.122 0.04 . 2 . . . A 127 LEU HB3 . 11422 1 1421 . 1 1 127 127 LEU HG H 1 1.575 0.04 . 1 . . . A 127 LEU HG . 11422 1 1422 . 1 1 127 127 LEU HD11 H 1 0.854 0.04 . 2 . . . A 127 LEU HD11 . 11422 1 1423 . 1 1 127 127 LEU HD12 H 1 0.854 0.04 . 2 . . . A 127 LEU HD12 . 11422 1 1424 . 1 1 127 127 LEU HD13 H 1 0.854 0.04 . 2 . . . A 127 LEU HD13 . 11422 1 1425 . 1 1 127 127 LEU HD21 H 1 1.012 0.04 . 2 . . . A 127 LEU HD21 . 11422 1 1426 . 1 1 127 127 LEU HD22 H 1 1.012 0.04 . 2 . . . A 127 LEU HD22 . 11422 1 1427 . 1 1 127 127 LEU HD23 H 1 1.012 0.04 . 2 . . . A 127 LEU HD23 . 11422 1 1428 . 1 1 127 127 LEU C C 13 178.931 0.40 . 1 . . . A 127 LEU C . 11422 1 1429 . 1 1 127 127 LEU CA C 13 57.688 0.40 . 1 . . . A 127 LEU CA . 11422 1 1430 . 1 1 127 127 LEU CB C 13 41.046 0.40 . 1 . . . A 127 LEU CB . 11422 1 1431 . 1 1 127 127 LEU CG C 13 27.312 0.40 . 1 . . . A 127 LEU CG . 11422 1 1432 . 1 1 127 127 LEU CD1 C 13 27.202 0.40 . 2 . . . A 127 LEU CD1 . 11422 1 1433 . 1 1 127 127 LEU CD2 C 13 22.851 0.40 . 2 . . . A 127 LEU CD2 . 11422 1 1434 . 1 1 127 127 LEU N N 15 121.562 0.40 . 1 . . . A 127 LEU N . 11422 1 1435 . 1 1 128 128 GLU H H 1 8.490 0.04 . 1 . . . A 128 GLU H . 11422 1 1436 . 1 1 128 128 GLU HA H 1 3.830 0.04 . 1 . . . A 128 GLU HA . 11422 1 1437 . 1 1 128 128 GLU HB2 H 1 1.860 0.04 . 2 . . . A 128 GLU HB2 . 11422 1 1438 . 1 1 128 128 GLU HB3 H 1 1.995 0.04 . 2 . . . A 128 GLU HB3 . 11422 1 1439 . 1 1 128 128 GLU HG2 H 1 2.383 0.04 . 2 . . . A 128 GLU HG2 . 11422 1 1440 . 1 1 128 128 GLU HG3 H 1 2.002 0.04 . 2 . . . A 128 GLU HG3 . 11422 1 1441 . 1 1 128 128 GLU C C 13 179.792 0.40 . 1 . . . A 128 GLU C . 11422 1 1442 . 1 1 128 128 GLU CA C 13 60.179 0.40 . 1 . . . A 128 GLU CA . 11422 1 1443 . 1 1 128 128 GLU CB C 13 29.338 0.40 . 1 . . . A 128 GLU CB . 11422 1 1444 . 1 1 128 128 GLU CG C 13 36.929 0.40 . 1 . . . A 128 GLU CG . 11422 1 1445 . 1 1 128 128 GLU N N 15 118.859 0.40 . 1 . . . A 128 GLU N . 11422 1 1446 . 1 1 129 129 ALA H H 1 7.730 0.04 . 1 . . . A 129 ALA H . 11422 1 1447 . 1 1 129 129 ALA HA H 1 4.070 0.04 . 1 . . . A 129 ALA HA . 11422 1 1448 . 1 1 129 129 ALA HB1 H 1 1.310 0.04 . 1 . . . A 129 ALA HB1 . 11422 1 1449 . 1 1 129 129 ALA HB2 H 1 1.310 0.04 . 1 . . . A 129 ALA HB2 . 11422 1 1450 . 1 1 129 129 ALA HB3 H 1 1.310 0.04 . 1 . . . A 129 ALA HB3 . 11422 1 1451 . 1 1 129 129 ALA C C 13 180.089 0.40 . 1 . . . A 129 ALA C . 11422 1 1452 . 1 1 129 129 ALA CA C 13 54.789 0.40 . 1 . . . A 129 ALA CA . 11422 1 1453 . 1 1 129 129 ALA CB C 13 18.212 0.40 . 1 . . . A 129 ALA CB . 11422 1 1454 . 1 1 129 129 ALA N N 15 122.667 0.40 . 1 . . . A 129 ALA N . 11422 1 1455 . 1 1 130 130 PHE H H 1 8.036 0.04 . 1 . . . A 130 PHE H . 11422 1 1456 . 1 1 130 130 PHE HA H 1 3.877 0.04 . 1 . . . A 130 PHE HA . 11422 1 1457 . 1 1 130 130 PHE HB2 H 1 3.173 0.04 . 2 . . . A 130 PHE HB2 . 11422 1 1458 . 1 1 130 130 PHE HB3 H 1 2.933 0.04 . 2 . . . A 130 PHE HB3 . 11422 1 1459 . 1 1 130 130 PHE C C 13 176.705 0.40 . 1 . . . A 130 PHE C . 11422 1 1460 . 1 1 130 130 PHE CA C 13 61.392 0.40 . 1 . . . A 130 PHE CA . 11422 1 1461 . 1 1 130 130 PHE CB C 13 39.313 0.40 . 1 . . . A 130 PHE CB . 11422 1 1462 . 1 1 130 130 PHE N N 15 120.937 0.40 . 1 . . . A 130 PHE N . 11422 1 1463 . 1 1 131 131 MET H H 1 8.483 0.04 . 1 . . . A 131 MET H . 11422 1 1464 . 1 1 131 131 MET HA H 1 3.570 0.04 . 1 . . . A 131 MET HA . 11422 1 1465 . 1 1 131 131 MET HB2 H 1 2.380 0.04 . 2 . . . A 131 MET HB2 . 11422 1 1466 . 1 1 131 131 MET HB3 H 1 2.713 0.04 . 2 . . . A 131 MET HB3 . 11422 1 1467 . 1 1 131 131 MET HG2 H 1 2.080 0.04 . 2 . . . A 131 MET HG2 . 11422 1 1468 . 1 1 131 131 MET HG3 H 1 1.999 0.04 . 2 . . . A 131 MET HG3 . 11422 1 1469 . 1 1 131 131 MET C C 13 178.732 0.40 . 1 . . . A 131 MET C . 11422 1 1470 . 1 1 131 131 MET CA C 13 59.287 0.40 . 1 . . . A 131 MET CA . 11422 1 1471 . 1 1 131 131 MET CB C 13 32.896 0.40 . 1 . . . A 131 MET CB . 11422 1 1472 . 1 1 131 131 MET CG C 13 32.826 0.40 . 1 . . . A 131 MET CG . 11422 1 1473 . 1 1 131 131 MET N N 15 117.824 0.40 . 1 . . . A 131 MET N . 11422 1 1474 . 1 1 132 132 ALA H H 1 7.729 0.04 . 1 . . . A 132 ALA H . 11422 1 1475 . 1 1 132 132 ALA HA H 1 4.039 0.04 . 1 . . . A 132 ALA HA . 11422 1 1476 . 1 1 132 132 ALA HB1 H 1 1.354 0.04 . 1 . . . A 132 ALA HB1 . 11422 1 1477 . 1 1 132 132 ALA HB2 H 1 1.354 0.04 . 1 . . . A 132 ALA HB2 . 11422 1 1478 . 1 1 132 132 ALA HB3 H 1 1.354 0.04 . 1 . . . A 132 ALA HB3 . 11422 1 1479 . 1 1 132 132 ALA C C 13 180.055 0.40 . 1 . . . A 132 ALA C . 11422 1 1480 . 1 1 132 132 ALA CA C 13 54.730 0.40 . 1 . . . A 132 ALA CA . 11422 1 1481 . 1 1 132 132 ALA CB C 13 17.745 0.40 . 1 . . . A 132 ALA CB . 11422 1 1482 . 1 1 132 132 ALA N N 15 122.806 0.40 . 1 . . . A 132 ALA N . 11422 1 1483 . 1 1 133 133 LEU H H 1 7.555 0.04 . 1 . . . A 133 LEU H . 11422 1 1484 . 1 1 133 133 LEU HA H 1 3.959 0.04 . 1 . . . A 133 LEU HA . 11422 1 1485 . 1 1 133 133 LEU HB2 H 1 1.553 0.04 . 2 . . . A 133 LEU HB2 . 11422 1 1486 . 1 1 133 133 LEU HB3 H 1 1.522 0.04 . 2 . . . A 133 LEU HB3 . 11422 1 1487 . 1 1 133 133 LEU HG H 1 1.534 0.04 . 1 . . . A 133 LEU HG . 11422 1 1488 . 1 1 133 133 LEU HD11 H 1 0.800 0.04 . 2 . . . A 133 LEU HD11 . 11422 1 1489 . 1 1 133 133 LEU HD12 H 1 0.800 0.04 . 2 . . . A 133 LEU HD12 . 11422 1 1490 . 1 1 133 133 LEU HD13 H 1 0.800 0.04 . 2 . . . A 133 LEU HD13 . 11422 1 1491 . 1 1 133 133 LEU HD21 H 1 0.729 0.04 . 2 . . . A 133 LEU HD21 . 11422 1 1492 . 1 1 133 133 LEU HD22 H 1 0.729 0.04 . 2 . . . A 133 LEU HD22 . 11422 1 1493 . 1 1 133 133 LEU HD23 H 1 0.729 0.04 . 2 . . . A 133 LEU HD23 . 11422 1 1494 . 1 1 133 133 LEU C C 13 179.234 0.40 . 1 . . . A 133 LEU C . 11422 1 1495 . 1 1 133 133 LEU CA C 13 57.401 0.40 . 1 . . . A 133 LEU CA . 11422 1 1496 . 1 1 133 133 LEU CB C 13 42.033 0.40 . 1 . . . A 133 LEU CB . 11422 1 1497 . 1 1 133 133 LEU CG C 13 26.682 0.40 . 1 . . . A 133 LEU CG . 11422 1 1498 . 1 1 133 133 LEU CD1 C 13 24.915 0.40 . 2 . . . A 133 LEU CD1 . 11422 1 1499 . 1 1 133 133 LEU CD2 C 13 24.049 0.40 . 2 . . . A 133 LEU CD2 . 11422 1 1500 . 1 1 133 133 LEU N N 15 120.658 0.40 . 1 . . . A 133 LEU N . 11422 1 1501 . 1 1 134 134 ARG H H 1 7.484 0.04 . 1 . . . A 134 ARG H . 11422 1 1502 . 1 1 134 134 ARG HA H 1 3.802 0.04 . 1 . . . A 134 ARG HA . 11422 1 1503 . 1 1 134 134 ARG HB2 H 1 1.429 0.04 . 2 . . . A 134 ARG HB2 . 11422 1 1504 . 1 1 134 134 ARG HB3 H 1 1.339 0.04 . 2 . . . A 134 ARG HB3 . 11422 1 1505 . 1 1 134 134 ARG HG2 H 1 1.062 0.04 . 2 . . . A 134 ARG HG2 . 11422 1 1506 . 1 1 134 134 ARG HG3 H 1 1.064 0.04 . 2 . . . A 134 ARG HG3 . 11422 1 1507 . 1 1 134 134 ARG HD2 H 1 2.716 0.04 . 2 . . . A 134 ARG HD2 . 11422 1 1508 . 1 1 134 134 ARG HD3 H 1 2.670 0.04 . 2 . . . A 134 ARG HD3 . 11422 1 1509 . 1 1 134 134 ARG C C 13 177.268 0.40 . 1 . . . A 134 ARG C . 11422 1 1510 . 1 1 134 134 ARG CA C 13 56.795 0.40 . 1 . . . A 134 ARG CA . 11422 1 1511 . 1 1 134 134 ARG CB C 13 29.689 0.40 . 1 . . . A 134 ARG CB . 11422 1 1512 . 1 1 134 134 ARG CG C 13 26.567 0.40 . 1 . . . A 134 ARG CG . 11422 1 1513 . 1 1 134 134 ARG CD C 13 42.718 0.40 . 1 . . . A 134 ARG CD . 11422 1 1514 . 1 1 134 134 ARG N N 15 118.564 0.40 . 1 . . . A 134 ARG N . 11422 1 1515 . 1 1 135 135 ALA H H 1 7.443 0.04 . 1 . . . A 135 ALA H . 11422 1 1516 . 1 1 135 135 ALA HA H 1 4.073 0.04 . 1 . . . A 135 ALA HA . 11422 1 1517 . 1 1 135 135 ALA HB1 H 1 1.299 0.04 . 1 . . . A 135 ALA HB1 . 11422 1 1518 . 1 1 135 135 ALA HB2 H 1 1.299 0.04 . 1 . . . A 135 ALA HB2 . 11422 1 1519 . 1 1 135 135 ALA HB3 H 1 1.299 0.04 . 1 . . . A 135 ALA HB3 . 11422 1 1520 . 1 1 135 135 ALA C C 13 177.601 0.40 . 1 . . . A 135 ALA C . 11422 1 1521 . 1 1 135 135 ALA CA C 13 53.004 0.40 . 1 . . . A 135 ALA CA . 11422 1 1522 . 1 1 135 135 ALA CB C 13 18.558 0.40 . 1 . . . A 135 ALA CB . 11422 1 1523 . 1 1 135 135 ALA N N 15 122.068 0.40 . 1 . . . A 135 ALA N . 11422 1 1524 . 1 1 136 136 ALA H H 1 7.428 0.04 . 1 . . . A 136 ALA H . 11422 1 1525 . 1 1 136 136 ALA HA H 1 4.196 0.04 . 1 . . . A 136 ALA HA . 11422 1 1526 . 1 1 136 136 ALA HB1 H 1 1.304 0.04 . 1 . . . A 136 ALA HB1 . 11422 1 1527 . 1 1 136 136 ALA HB2 H 1 1.304 0.04 . 1 . . . A 136 ALA HB2 . 11422 1 1528 . 1 1 136 136 ALA HB3 H 1 1.304 0.04 . 1 . . . A 136 ALA HB3 . 11422 1 1529 . 1 1 136 136 ALA C C 13 177.318 0.40 . 1 . . . A 136 ALA C . 11422 1 1530 . 1 1 136 136 ALA CA C 13 52.227 0.40 . 1 . . . A 136 ALA CA . 11422 1 1531 . 1 1 136 136 ALA CB C 13 18.989 0.40 . 1 . . . A 136 ALA CB . 11422 1 1532 . 1 1 136 136 ALA N N 15 121.219 0.40 . 1 . . . A 136 ALA N . 11422 1 1533 . 1 1 137 137 ARG H H 1 7.719 0.04 . 1 . . . A 137 ARG H . 11422 1 1534 . 1 1 137 137 ARG HA H 1 4.500 0.04 . 1 . . . A 137 ARG HA . 11422 1 1535 . 1 1 137 137 ARG HB2 H 1 1.635 0.04 . 2 . . . A 137 ARG HB2 . 11422 1 1536 . 1 1 137 137 ARG HB3 H 1 1.739 0.04 . 2 . . . A 137 ARG HB3 . 11422 1 1537 . 1 1 137 137 ARG C C 13 173.955 0.40 . 1 . . . A 137 ARG C . 11422 1 1538 . 1 1 137 137 ARG CA C 13 54.133 0.40 . 1 . . . A 137 ARG CA . 11422 1 1539 . 1 1 137 137 ARG CB C 13 30.147 0.40 . 1 . . . A 137 ARG CB . 11422 1 1540 . 1 1 137 137 ARG N N 15 121.703 0.40 . 1 . . . A 137 ARG N . 11422 1 1541 . 1 1 138 138 PRO HA H 1 4.328 0.04 . 1 . . . A 138 PRO HA . 11422 1 1542 . 1 1 138 138 PRO HB2 H 1 1.862 0.04 . 2 . . . A 138 PRO HB2 . 11422 1 1543 . 1 1 138 138 PRO HB3 H 1 2.213 0.04 . 2 . . . A 138 PRO HB3 . 11422 1 1544 . 1 1 138 138 PRO HG2 H 1 1.942 0.04 . 2 . . . A 138 PRO HG2 . 11422 1 1545 . 1 1 138 138 PRO HG3 H 1 1.908 0.04 . 2 . . . A 138 PRO HG3 . 11422 1 1546 . 1 1 138 138 PRO HD2 H 1 3.693 0.04 . 2 . . . A 138 PRO HD2 . 11422 1 1547 . 1 1 138 138 PRO HD3 H 1 3.514 0.04 . 2 . . . A 138 PRO HD3 . 11422 1 1548 . 1 1 138 138 PRO C C 13 176.507 0.40 . 1 . . . A 138 PRO C . 11422 1 1549 . 1 1 138 138 PRO CA C 13 63.080 0.40 . 1 . . . A 138 PRO CA . 11422 1 1550 . 1 1 138 138 PRO CB C 13 32.162 0.40 . 1 . . . A 138 PRO CB . 11422 1 1551 . 1 1 138 138 PRO CG C 13 27.338 0.40 . 1 . . . A 138 PRO CG . 11422 1 1552 . 1 1 138 138 PRO CD C 13 50.539 0.40 . 1 . . . A 138 PRO CD . 11422 1 1553 . 1 1 139 139 ALA H H 1 8.305 0.04 . 1 . . . A 139 ALA H . 11422 1 1554 . 1 1 139 139 ALA HA H 1 4.213 0.04 . 1 . . . A 139 ALA HA . 11422 1 1555 . 1 1 139 139 ALA HB1 H 1 1.293 0.04 . 1 . . . A 139 ALA HB1 . 11422 1 1556 . 1 1 139 139 ALA HB2 H 1 1.293 0.04 . 1 . . . A 139 ALA HB2 . 11422 1 1557 . 1 1 139 139 ALA HB3 H 1 1.293 0.04 . 1 . . . A 139 ALA HB3 . 11422 1 1558 . 1 1 139 139 ALA C C 13 176.597 0.40 . 1 . . . A 139 ALA C . 11422 1 1559 . 1 1 139 139 ALA CA C 13 52.288 0.40 . 1 . . . A 139 ALA CA . 11422 1 1560 . 1 1 139 139 ALA CB C 13 19.303 0.40 . 1 . . . A 139 ALA CB . 11422 1 1561 . 1 1 139 139 ALA N N 15 125.624 0.40 . 1 . . . A 139 ALA N . 11422 1 1562 . 1 1 140 140 ASP H H 1 7.785 0.04 . 1 . . . A 140 ASP H . 11422 1 1563 . 1 1 140 140 ASP HA H 1 4.242 0.04 . 1 . . . A 140 ASP HA . 11422 1 1564 . 1 1 140 140 ASP HB2 H 1 2.444 0.04 . 2 . . . A 140 ASP HB2 . 11422 1 1565 . 1 1 140 140 ASP HB3 H 1 2.550 0.04 . 2 . . . A 140 ASP HB3 . 11422 1 1566 . 1 1 140 140 ASP CA C 13 55.758 0.40 . 1 . . . A 140 ASP CA . 11422 1 1567 . 1 1 140 140 ASP CB C 13 42.178 0.40 . 1 . . . A 140 ASP CB . 11422 1 1568 . 1 1 140 140 ASP N N 15 125.911 0.40 . 1 . . . A 140 ASP N . 11422 1 stop_ save_