data_6344 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6344 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for human protein HSPCO34 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-10-08 _Entry.Accession_date 2004-10-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Northeast Structural Genomics Target HR1958.' _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 Theresa Ramelot . A. . 6344 2 Guy Montelione . T. . 6344 3 Thomas Acton . B. . 6344 4 Michael Kennedy . A. . 6344 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6344 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1013 6344 '13C chemical shifts' 645 6344 '15N chemical shifts' 145 6344 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 . . 2010-08-25 . update author 'add peaklists' 6344 2 . . 2004-11-08 . original author 'original release' 6344 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6344 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of Human protein HSPCO34. Northeast Structural Genomics Target HR1958. ; _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _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 2004 _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 Theresa Ramelot . A. . 6344 1 2 Michael Kennedy . A. . 6344 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_HR1958 _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_HR1958 _Assembly.Entry_ID 6344 _Assembly.ID 1 _Assembly.Name HR1958 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass 16300 _Assembly.Enzyme_commission_number . _Assembly.Details 'protein monomer' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6344 1 stop_ 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 HR1958 1 $HR1958 . . . native . . . . . 6344 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1XPW . . . . . . 6344 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID HR1958 system 6344 1 HR1958 abbreviation 6344 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR1958 _Entity.Sf_category entity _Entity.Sf_framecode HR1958 _Entity.Entry_ID 6344 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR1958 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSHMRKIDLCLSS EGSEVILATSSDEKHPPENI IDGNPETFWTTTGMFPQEFI ICFHKHVRIERLVIQSYFVQ TLKIEKSTSKEPVDFEQWIE KDLVHTEGQLQNEEIVAHGS ATYLRFIIVSAFDHFASVHS VSAEGTVVSNLSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1TVG . "X-Ray Structure Of Human Pp25 Gene Product, Hspc034. Northeast Structural Genomics Target Hr1958." . . . . . 100.00 153 100.00 100.00 7.34e-107 . . . . 6344 1 2 no PDB 1XPW . "Solution Nmr Structure Of Human Protein Hspco34. Northeast Structural Genomics Target Hr1958" . . . . . 100.00 153 100.00 100.00 7.34e-107 . . . . 6344 1 3 no GB AAH05245 . "Heat shock protein family B (small), member 11 [Homo sapiens]" . . . . . 94.12 144 99.31 99.31 4.33e-97 . . . . 6344 1 4 no GB AAQ03618 . "placental protein 25 [Homo sapiens]" . . . . . 94.12 144 99.31 99.31 4.33e-97 . . . . 6344 1 5 no GB AAQ03994 . "placental protein 25 variant [Homo sapiens]" . . . . . 94.12 144 99.31 99.31 4.33e-97 . . . . 6344 1 6 no GB ADQ32445 . "chromosome 1 open reading frame 41 [synthetic construct]" . . . . . 94.12 144 99.31 99.31 4.33e-97 . . . . 6344 1 7 no GB AIC56497 . "HSPB11, partial [synthetic construct]" . . . . . 94.12 144 98.61 98.61 1.19e-95 . . . . 6344 1 8 no REF NP_001244683 . "heat shock protein beta-11 [Macaca mulatta]" . . . . . 94.12 144 97.92 98.61 6.79e-96 . . . . 6344 1 9 no REF NP_057210 . "intraflagellar transport protein 25 homolog [Homo sapiens]" . . . . . 94.12 144 99.31 99.31 4.33e-97 . . . . 6344 1 10 no REF XP_001149402 . "PREDICTED: intraflagellar transport protein 25 homolog [Pan troglodytes]" . . . . . 94.12 144 98.61 99.31 1.10e-96 . . . . 6344 1 11 no REF XP_002810844 . "PREDICTED: intraflagellar transport protein 25 homolog [Pongo abelii]" . . . . . 94.12 144 97.22 97.92 4.64e-95 . . . . 6344 1 12 no REF XP_002810845 . "PREDICTED: intraflagellar transport protein 25 homolog [Pongo abelii]" . . . . . 94.12 144 97.22 97.92 4.64e-95 . . . . 6344 1 13 no SP Q9Y547 . "RecName: Full=Intraflagellar transport protein 25 homolog; AltName: Full=Heat shock protein beta-11; Short=Hspb11; AltName: Ful" . . . . . 94.12 144 99.31 99.31 4.33e-97 . . . . 6344 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HR1958 common 6344 1 PP25 variant 6344 1 PP25 abbreviation 6344 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 -9 MET . 6344 1 2 -8 GLY . 6344 1 3 -7 HIS . 6344 1 4 -6 HIS . 6344 1 5 -5 HIS . 6344 1 6 -4 HIS . 6344 1 7 -3 HIS . 6344 1 8 -2 HIS . 6344 1 9 -1 SER . 6344 1 10 0 HIS . 6344 1 11 1 MET . 6344 1 12 2 ARG . 6344 1 13 3 LYS . 6344 1 14 4 ILE . 6344 1 15 5 ASP . 6344 1 16 6 LEU . 6344 1 17 7 CYS . 6344 1 18 8 LEU . 6344 1 19 9 SER . 6344 1 20 10 SER . 6344 1 21 11 GLU . 6344 1 22 12 GLY . 6344 1 23 13 SER . 6344 1 24 14 GLU . 6344 1 25 15 VAL . 6344 1 26 16 ILE . 6344 1 27 17 LEU . 6344 1 28 18 ALA . 6344 1 29 19 THR . 6344 1 30 20 SER . 6344 1 31 21 SER . 6344 1 32 22 ASP . 6344 1 33 23 GLU . 6344 1 34 24 LYS . 6344 1 35 25 HIS . 6344 1 36 26 PRO . 6344 1 37 27 PRO . 6344 1 38 28 GLU . 6344 1 39 29 ASN . 6344 1 40 30 ILE . 6344 1 41 31 ILE . 6344 1 42 32 ASP . 6344 1 43 33 GLY . 6344 1 44 34 ASN . 6344 1 45 35 PRO . 6344 1 46 36 GLU . 6344 1 47 37 THR . 6344 1 48 38 PHE . 6344 1 49 39 TRP . 6344 1 50 40 THR . 6344 1 51 41 THR . 6344 1 52 42 THR . 6344 1 53 43 GLY . 6344 1 54 44 MET . 6344 1 55 45 PHE . 6344 1 56 46 PRO . 6344 1 57 47 GLN . 6344 1 58 48 GLU . 6344 1 59 49 PHE . 6344 1 60 50 ILE . 6344 1 61 51 ILE . 6344 1 62 52 CYS . 6344 1 63 53 PHE . 6344 1 64 54 HIS . 6344 1 65 55 LYS . 6344 1 66 56 HIS . 6344 1 67 57 VAL . 6344 1 68 58 ARG . 6344 1 69 59 ILE . 6344 1 70 60 GLU . 6344 1 71 61 ARG . 6344 1 72 62 LEU . 6344 1 73 63 VAL . 6344 1 74 64 ILE . 6344 1 75 65 GLN . 6344 1 76 66 SER . 6344 1 77 67 TYR . 6344 1 78 68 PHE . 6344 1 79 69 VAL . 6344 1 80 70 GLN . 6344 1 81 71 THR . 6344 1 82 72 LEU . 6344 1 83 73 LYS . 6344 1 84 74 ILE . 6344 1 85 75 GLU . 6344 1 86 76 LYS . 6344 1 87 77 SER . 6344 1 88 78 THR . 6344 1 89 79 SER . 6344 1 90 80 LYS . 6344 1 91 81 GLU . 6344 1 92 82 PRO . 6344 1 93 83 VAL . 6344 1 94 84 ASP . 6344 1 95 85 PHE . 6344 1 96 86 GLU . 6344 1 97 87 GLN . 6344 1 98 88 TRP . 6344 1 99 89 ILE . 6344 1 100 90 GLU . 6344 1 101 91 LYS . 6344 1 102 92 ASP . 6344 1 103 93 LEU . 6344 1 104 94 VAL . 6344 1 105 95 HIS . 6344 1 106 96 THR . 6344 1 107 97 GLU . 6344 1 108 98 GLY . 6344 1 109 99 GLN . 6344 1 110 100 LEU . 6344 1 111 101 GLN . 6344 1 112 102 ASN . 6344 1 113 103 GLU . 6344 1 114 104 GLU . 6344 1 115 105 ILE . 6344 1 116 106 VAL . 6344 1 117 107 ALA . 6344 1 118 108 HIS . 6344 1 119 109 GLY . 6344 1 120 110 SER . 6344 1 121 111 ALA . 6344 1 122 112 THR . 6344 1 123 113 TYR . 6344 1 124 114 LEU . 6344 1 125 115 ARG . 6344 1 126 116 PHE . 6344 1 127 117 ILE . 6344 1 128 118 ILE . 6344 1 129 119 VAL . 6344 1 130 120 SER . 6344 1 131 121 ALA . 6344 1 132 122 PHE . 6344 1 133 123 ASP . 6344 1 134 124 HIS . 6344 1 135 125 PHE . 6344 1 136 126 ALA . 6344 1 137 127 SER . 6344 1 138 128 VAL . 6344 1 139 129 HIS . 6344 1 140 130 SER . 6344 1 141 131 VAL . 6344 1 142 132 SER . 6344 1 143 133 ALA . 6344 1 144 134 GLU . 6344 1 145 135 GLY . 6344 1 146 136 THR . 6344 1 147 137 VAL . 6344 1 148 138 VAL . 6344 1 149 139 SER . 6344 1 150 140 ASN . 6344 1 151 141 LEU . 6344 1 152 142 SER . 6344 1 153 143 SER . 6344 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 . MET 1 1 6344 1 . GLY 2 2 6344 1 . HIS 3 3 6344 1 . HIS 4 4 6344 1 . HIS 5 5 6344 1 . HIS 6 6 6344 1 . HIS 7 7 6344 1 . HIS 8 8 6344 1 . SER 9 9 6344 1 . HIS 10 10 6344 1 . MET 11 11 6344 1 . ARG 12 12 6344 1 . LYS 13 13 6344 1 . ILE 14 14 6344 1 . ASP 15 15 6344 1 . LEU 16 16 6344 1 . CYS 17 17 6344 1 . LEU 18 18 6344 1 . SER 19 19 6344 1 . SER 20 20 6344 1 . GLU 21 21 6344 1 . GLY 22 22 6344 1 . SER 23 23 6344 1 . GLU 24 24 6344 1 . VAL 25 25 6344 1 . ILE 26 26 6344 1 . LEU 27 27 6344 1 . ALA 28 28 6344 1 . THR 29 29 6344 1 . SER 30 30 6344 1 . SER 31 31 6344 1 . ASP 32 32 6344 1 . GLU 33 33 6344 1 . LYS 34 34 6344 1 . HIS 35 35 6344 1 . PRO 36 36 6344 1 . PRO 37 37 6344 1 . GLU 38 38 6344 1 . ASN 39 39 6344 1 . ILE 40 40 6344 1 . ILE 41 41 6344 1 . ASP 42 42 6344 1 . GLY 43 43 6344 1 . ASN 44 44 6344 1 . PRO 45 45 6344 1 . GLU 46 46 6344 1 . THR 47 47 6344 1 . PHE 48 48 6344 1 . TRP 49 49 6344 1 . THR 50 50 6344 1 . THR 51 51 6344 1 . THR 52 52 6344 1 . GLY 53 53 6344 1 . MET 54 54 6344 1 . PHE 55 55 6344 1 . PRO 56 56 6344 1 . GLN 57 57 6344 1 . GLU 58 58 6344 1 . PHE 59 59 6344 1 . ILE 60 60 6344 1 . ILE 61 61 6344 1 . CYS 62 62 6344 1 . PHE 63 63 6344 1 . HIS 64 64 6344 1 . LYS 65 65 6344 1 . HIS 66 66 6344 1 . VAL 67 67 6344 1 . ARG 68 68 6344 1 . ILE 69 69 6344 1 . GLU 70 70 6344 1 . ARG 71 71 6344 1 . LEU 72 72 6344 1 . VAL 73 73 6344 1 . ILE 74 74 6344 1 . GLN 75 75 6344 1 . SER 76 76 6344 1 . TYR 77 77 6344 1 . PHE 78 78 6344 1 . VAL 79 79 6344 1 . GLN 80 80 6344 1 . THR 81 81 6344 1 . LEU 82 82 6344 1 . LYS 83 83 6344 1 . ILE 84 84 6344 1 . GLU 85 85 6344 1 . LYS 86 86 6344 1 . SER 87 87 6344 1 . THR 88 88 6344 1 . SER 89 89 6344 1 . LYS 90 90 6344 1 . GLU 91 91 6344 1 . PRO 92 92 6344 1 . VAL 93 93 6344 1 . ASP 94 94 6344 1 . PHE 95 95 6344 1 . GLU 96 96 6344 1 . GLN 97 97 6344 1 . TRP 98 98 6344 1 . ILE 99 99 6344 1 . GLU 100 100 6344 1 . LYS 101 101 6344 1 . ASP 102 102 6344 1 . LEU 103 103 6344 1 . VAL 104 104 6344 1 . HIS 105 105 6344 1 . THR 106 106 6344 1 . GLU 107 107 6344 1 . GLY 108 108 6344 1 . GLN 109 109 6344 1 . LEU 110 110 6344 1 . GLN 111 111 6344 1 . ASN 112 112 6344 1 . GLU 113 113 6344 1 . GLU 114 114 6344 1 . ILE 115 115 6344 1 . VAL 116 116 6344 1 . ALA 117 117 6344 1 . HIS 118 118 6344 1 . GLY 119 119 6344 1 . SER 120 120 6344 1 . ALA 121 121 6344 1 . THR 122 122 6344 1 . TYR 123 123 6344 1 . LEU 124 124 6344 1 . ARG 125 125 6344 1 . PHE 126 126 6344 1 . ILE 127 127 6344 1 . ILE 128 128 6344 1 . VAL 129 129 6344 1 . SER 130 130 6344 1 . ALA 131 131 6344 1 . PHE 132 132 6344 1 . ASP 133 133 6344 1 . HIS 134 134 6344 1 . PHE 135 135 6344 1 . ALA 136 136 6344 1 . SER 137 137 6344 1 . VAL 138 138 6344 1 . HIS 139 139 6344 1 . SER 140 140 6344 1 . VAL 141 141 6344 1 . SER 142 142 6344 1 . ALA 143 143 6344 1 . GLU 144 144 6344 1 . GLY 145 145 6344 1 . THR 146 146 6344 1 . VAL 147 147 6344 1 . VAL 148 148 6344 1 . SER 149 149 6344 1 . ASN 150 150 6344 1 . LEU 151 151 6344 1 . SER 152 152 6344 1 . SER 153 153 6344 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 6344 _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 $HR1958 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6344 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 6344 _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 $HR1958 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (lamda DE3) pMGK' . . . . . . . . . . . . . . . 'plasmid PET 14' . . . . . . 6344 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6344 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 HR1958 '[U-15N; U-13C]' . . 1 $HR1958 . . 1 . . mM . . . . 6344 1 2 Mes . . . . . . . 20 . . mM . . . . 6344 1 3 NaCl . . . . . . . 100 . . mM . . . . 6344 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 6344 1 5 DTT . . . . . . . 10 . . mM . . . . 6344 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 6344 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6344 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6344 1 temperature 298 1 K 6344 1 'ionic strength' 0.1 1 M 6344 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6344 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6344 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6344 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6344 _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 NMR_spectrometer_1 Varian Inova . 600 . . . 6344 1 2 NMR_spectrometer_2 Varian Inova . 750 . . . 6344 1 3 NMR_spectrometer_3 Varian Inova . 800 . . . 6344 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 6344 _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 'Data collected on 600mHz Varian Inova spectrometer.' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 2 '[U-15N, U-13C]-HR1958' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 3 '2D 1H-15N HSQC - regular and NH2only' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 4 '2D 1H-13C HSQC -aliph, alpha, arom' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 5 '3D HNCO' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 6 '3D HNCACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 8 '3D HCCH-COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 9 '3D HCCH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 10 '3D H(CC)(CO)NH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 11 '3D (H)CC(CO)NH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 12 '[U-15N, 5%-13C]-HR1958' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 13 '1H-13C HSQC to get stereospecific assignements for Leu, Val isopropyl groups.' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 14 'Data collected on 750mHz Varian Inova spectrometer.' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 15 '2D 1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 16 '3D HNHA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 17 '3D 15N-edited NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 18 '3D 13C-edited NOESY-HSQC -aliph, arom' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 19 '4D CC-NOESY (2H2O)' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6344 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6344 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6344 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6344 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6344 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6344 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6344 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 11 11 MET H H 1 8.24 0.02 . 1 . . . . 1 . . . 6344 1 2 . 1 1 11 11 MET HA H 1 4.45 0.02 . 1 . . . . 2 . . . 6344 1 3 . 1 1 11 11 MET HB2 H 1 1.97 0.02 . 2 . . . . 3 . . . 6344 1 4 . 1 1 11 11 MET HB3 H 1 2.09 0.02 . 2 . . . . 4 . . . 6344 1 5 . 1 1 11 11 MET HG2 H 1 2.45 0.02 . 2 . . . . 5 . . . 6344 1 6 . 1 1 11 11 MET HG3 H 1 2.52 0.02 . 2 . . . . 6 . . . 6344 1 7 . 1 1 11 11 MET HE1 H 1 2.07 0.02 . 1 . . . . 7 . . . 6344 1 8 . 1 1 11 11 MET HE2 H 1 2.07 0.02 . 1 . . . . 7 . . . 6344 1 9 . 1 1 11 11 MET HE3 H 1 2.07 0.02 . 1 . . . . 7 . . . 6344 1 10 . 1 1 11 11 MET C C 13 175.6 0.2 . 1 . . . . 8 . . . 6344 1 11 . 1 1 11 11 MET CA C 13 55.1 0.2 . 1 . . . . 9 . . . 6344 1 12 . 1 1 11 11 MET CB C 13 32.9 0.2 . 1 . . . . 10 . . . 6344 1 13 . 1 1 11 11 MET CG C 13 31.9 0.2 . 1 . . . . 11 . . . 6344 1 14 . 1 1 11 11 MET CE C 13 17.0 0.2 . 1 . . . . 12 . . . 6344 1 15 . 1 1 11 11 MET N N 15 121.1 0.2 . 1 . . . . 13 . . . 6344 1 16 . 1 1 12 12 ARG H H 1 8.35 0.02 . 1 . . . . 14 . . . 6344 1 17 . 1 1 12 12 ARG HA H 1 4.36 0.02 . 1 . . . . 15 . . . 6344 1 18 . 1 1 12 12 ARG HB2 H 1 1.79 0.02 . 2 . . . . 16 . . . 6344 1 19 . 1 1 12 12 ARG HB3 H 1 1.84 0.02 . 2 . . . . 17 . . . 6344 1 20 . 1 1 12 12 ARG HG2 H 1 1.61 0.02 . 1 . . . . 18 . . . 6344 1 21 . 1 1 12 12 ARG HG3 H 1 1.61 0.02 . 1 . . . . 19 . . . 6344 1 22 . 1 1 12 12 ARG HD2 H 1 3.21 0.02 . 1 . . . . 20 . . . 6344 1 23 . 1 1 12 12 ARG HD3 H 1 3.21 0.02 . 1 . . . . 21 . . . 6344 1 24 . 1 1 12 12 ARG C C 13 175.8 0.2 . 1 . . . . 22 . . . 6344 1 25 . 1 1 12 12 ARG CA C 13 56.3 0.2 . 1 . . . . 23 . . . 6344 1 26 . 1 1 12 12 ARG CB C 13 31.1 0.2 . 1 . . . . 24 . . . 6344 1 27 . 1 1 12 12 ARG CG C 13 27.3 0.2 . 1 . . . . 25 . . . 6344 1 28 . 1 1 12 12 ARG CD C 13 43.4 0.2 . 1 . . . . 26 . . . 6344 1 29 . 1 1 12 12 ARG N N 15 122.8 0.2 . 1 . . . . 27 . . . 6344 1 30 . 1 1 13 13 LYS H H 1 8.47 0.02 . 1 . . . . 28 . . . 6344 1 31 . 1 1 13 13 LYS HA H 1 4.50 0.02 . 1 . . . . 29 . . . 6344 1 32 . 1 1 13 13 LYS HB2 H 1 1.71 0.02 . 2 . . . . 30 . . . 6344 1 33 . 1 1 13 13 LYS HB3 H 1 1.85 0.02 . 2 . . . . 31 . . . 6344 1 34 . 1 1 13 13 LYS HG2 H 1 1.40 0.02 . 2 . . . . 32 . . . 6344 1 35 . 1 1 13 13 LYS HG3 H 1 1.49 0.02 . 2 . . . . 33 . . . 6344 1 36 . 1 1 13 13 LYS HD2 H 1 1.69 0.02 . 1 . . . . 34 . . . 6344 1 37 . 1 1 13 13 LYS HD3 H 1 1.69 0.02 . 1 . . . . 35 . . . 6344 1 38 . 1 1 13 13 LYS HE2 H 1 2.99 0.02 . 1 . . . . 36 . . . 6344 1 39 . 1 1 13 13 LYS HE3 H 1 2.99 0.02 . 1 . . . . 37 . . . 6344 1 40 . 1 1 13 13 LYS C C 13 176.0 0.2 . 1 . . . . 38 . . . 6344 1 41 . 1 1 13 13 LYS CA C 13 55.7 0.2 . 1 . . . . 39 . . . 6344 1 42 . 1 1 13 13 LYS CB C 13 33.3 0.2 . 1 . . . . 40 . . . 6344 1 43 . 1 1 13 13 LYS CG C 13 25.0 0.2 . 1 . . . . 41 . . . 6344 1 44 . 1 1 13 13 LYS CD C 13 29.1 0.2 . 1 . . . . 42 . . . 6344 1 45 . 1 1 13 13 LYS CE C 13 42.0 0.2 . 1 . . . . 43 . . . 6344 1 46 . 1 1 13 13 LYS N N 15 123.6 0.2 . 1 . . . . 44 . . . 6344 1 47 . 1 1 14 14 ILE H H 1 8.30 0.02 . 1 . . . . 45 . . . 6344 1 48 . 1 1 14 14 ILE HA H 1 4.18 0.02 . 1 . . . . 46 . . . 6344 1 49 . 1 1 14 14 ILE HB H 1 1.86 0.02 . 1 . . . . 47 . . . 6344 1 50 . 1 1 14 14 ILE HG12 H 1 1.24 0.02 . 2 . . . . 48 . . . 6344 1 51 . 1 1 14 14 ILE HG13 H 1 1.49 0.02 . 2 . . . . 49 . . . 6344 1 52 . 1 1 14 14 ILE HG21 H 1 0.89 0.02 . 1 . . . . 50 . . . 6344 1 53 . 1 1 14 14 ILE HG22 H 1 0.89 0.02 . 1 . . . . 50 . . . 6344 1 54 . 1 1 14 14 ILE HG23 H 1 0.89 0.02 . 1 . . . . 50 . . . 6344 1 55 . 1 1 14 14 ILE HD11 H 1 0.89 0.02 . 1 . . . . 51 . . . 6344 1 56 . 1 1 14 14 ILE HD12 H 1 0.89 0.02 . 1 . . . . 51 . . . 6344 1 57 . 1 1 14 14 ILE HD13 H 1 0.89 0.02 . 1 . . . . 51 . . . 6344 1 58 . 1 1 14 14 ILE C C 13 175.1 0.2 . 1 . . . . 52 . . . 6344 1 59 . 1 1 14 14 ILE CA C 13 60.8 0.2 . 1 . . . . 53 . . . 6344 1 60 . 1 1 14 14 ILE CB C 13 39.5 0.2 . 1 . . . . 54 . . . 6344 1 61 . 1 1 14 14 ILE CG1 C 13 27.8 0.2 . 1 . . . . 55 . . . 6344 1 62 . 1 1 14 14 ILE CG2 C 13 17.3 0.2 . 1 . . . . 56 . . . 6344 1 63 . 1 1 14 14 ILE CD1 C 13 13.1 0.2 . 1 . . . . 57 . . . 6344 1 64 . 1 1 14 14 ILE N N 15 123.2 0.2 . 1 . . . . 58 . . . 6344 1 65 . 1 1 15 15 ASP H H 1 8.04 0.02 . 1 . . . . 59 . . . 6344 1 66 . 1 1 15 15 ASP HA H 1 5.11 0.02 . 1 . . . . 60 . . . 6344 1 67 . 1 1 15 15 ASP HB2 H 1 2.72 0.02 . 2 . . . . 61 . . . 6344 1 68 . 1 1 15 15 ASP HB3 H 1 2.98 0.02 . 2 . . . . 62 . . . 6344 1 69 . 1 1 15 15 ASP C C 13 176.8 0.2 . 1 . . . . 63 . . . 6344 1 70 . 1 1 15 15 ASP CA C 13 52.5 0.2 . 1 . . . . 64 . . . 6344 1 71 . 1 1 15 15 ASP CB C 13 40.5 0.2 . 1 . . . . 65 . . . 6344 1 72 . 1 1 15 15 ASP N N 15 122.4 0.2 . 1 . . . . 66 . . . 6344 1 73 . 1 1 16 16 LEU H H 1 9.13 0.02 . 1 . . . . 67 . . . 6344 1 74 . 1 1 16 16 LEU HA H 1 3.98 0.02 . 1 . . . . 68 . . . 6344 1 75 . 1 1 16 16 LEU HB2 H 1 1.53 0.02 . 2 . . . . 69 . . . 6344 1 76 . 1 1 16 16 LEU HB3 H 1 1.64 0.02 . 2 . . . . 70 . . . 6344 1 77 . 1 1 16 16 LEU HG H 1 1.82 0.02 . 1 . . . . 71 . . . 6344 1 78 . 1 1 16 16 LEU HD11 H 1 0.46 0.02 . 1 . . . . 72 . . . 6344 1 79 . 1 1 16 16 LEU HD12 H 1 0.46 0.02 . 1 . . . . 72 . . . 6344 1 80 . 1 1 16 16 LEU HD13 H 1 0.46 0.02 . 1 . . . . 72 . . . 6344 1 81 . 1 1 16 16 LEU HD21 H 1 0.70 0.02 . 1 . . . . 73 . . . 6344 1 82 . 1 1 16 16 LEU HD22 H 1 0.70 0.02 . 1 . . . . 73 . . . 6344 1 83 . 1 1 16 16 LEU HD23 H 1 0.70 0.02 . 1 . . . . 73 . . . 6344 1 84 . 1 1 16 16 LEU C C 13 179.4 0.2 . 1 . . . . 74 . . . 6344 1 85 . 1 1 16 16 LEU CA C 13 56.2 0.2 . 1 . . . . 75 . . . 6344 1 86 . 1 1 16 16 LEU CB C 13 44.3 0.2 . 1 . . . . 76 . . . 6344 1 87 . 1 1 16 16 LEU CG C 13 26.5 0.2 . 1 . . . . 77 . . . 6344 1 88 . 1 1 16 16 LEU CD1 C 13 25.8 0.2 . 1 . . . . 78 . . . 6344 1 89 . 1 1 16 16 LEU CD2 C 13 22.1 0.2 . 1 . . . . 79 . . . 6344 1 90 . 1 1 16 16 LEU N N 15 123.4 0.2 . 1 . . . . 80 . . . 6344 1 91 . 1 1 17 17 CYS H H 1 8.83 0.02 . 1 . . . . 81 . . . 6344 1 92 . 1 1 17 17 CYS HA H 1 4.03 0.02 . 1 . . . . 82 . . . 6344 1 93 . 1 1 17 17 CYS HB2 H 1 3.11 0.02 . 2 . . . . 83 . . . 6344 1 94 . 1 1 17 17 CYS HB3 H 1 3.65 0.02 . 2 . . . . 84 . . . 6344 1 95 . 1 1 17 17 CYS C C 13 171.9 0.2 . 1 . . . . 85 . . . 6344 1 96 . 1 1 17 17 CYS CA C 13 61.2 0.2 . 1 . . . . 86 . . . 6344 1 97 . 1 1 17 17 CYS CB C 13 29.4 0.2 . 1 . . . . 87 . . . 6344 1 98 . 1 1 17 17 CYS N N 15 113.2 0.2 . 1 . . . . 88 . . . 6344 1 99 . 1 1 18 18 LEU H H 1 6.73 0.02 . 1 . . . . 89 . . . 6344 1 100 . 1 1 18 18 LEU HA H 1 4.35 0.02 . 1 . . . . 90 . . . 6344 1 101 . 1 1 18 18 LEU HB2 H 1 1.67 0.02 . 2 . . . . 91 . . . 6344 1 102 . 1 1 18 18 LEU HB3 H 1 1.82 0.02 . 2 . . . . 92 . . . 6344 1 103 . 1 1 18 18 LEU HG H 1 1.81 0.02 . 1 . . . . 93 . . . 6344 1 104 . 1 1 18 18 LEU HD11 H 1 1.15 0.02 . 1 . . . . 94 . . . 6344 1 105 . 1 1 18 18 LEU HD12 H 1 1.15 0.02 . 1 . . . . 94 . . . 6344 1 106 . 1 1 18 18 LEU HD13 H 1 1.15 0.02 . 1 . . . . 94 . . . 6344 1 107 . 1 1 18 18 LEU HD21 H 1 0.86 0.02 . 1 . . . . 95 . . . 6344 1 108 . 1 1 18 18 LEU HD22 H 1 0.86 0.02 . 1 . . . . 95 . . . 6344 1 109 . 1 1 18 18 LEU HD23 H 1 0.86 0.02 . 1 . . . . 95 . . . 6344 1 110 . 1 1 18 18 LEU C C 13 181.1 0.2 . 1 . . . . 96 . . . 6344 1 111 . 1 1 18 18 LEU CA C 13 55.6 0.2 . 1 . . . . 97 . . . 6344 1 112 . 1 1 18 18 LEU CB C 13 42.8 0.2 . 1 . . . . 98 . . . 6344 1 113 . 1 1 18 18 LEU CG C 13 27.2 0.2 . 1 . . . . 99 . . . 6344 1 114 . 1 1 18 18 LEU CD1 C 13 26.4 0.2 . 1 . . . . 100 . . . 6344 1 115 . 1 1 18 18 LEU CD2 C 13 23.0 0.2 . 1 . . . . 101 . . . 6344 1 116 . 1 1 18 18 LEU N N 15 114.3 0.2 . 1 . . . . 102 . . . 6344 1 117 . 1 1 19 19 SER H H 1 8.91 0.02 . 1 . . . . 103 . . . 6344 1 118 . 1 1 19 19 SER HA H 1 4.81 0.02 . 1 . . . . 104 . . . 6344 1 119 . 1 1 19 19 SER HB2 H 1 3.95 0.02 . 2 . . . . 105 . . . 6344 1 120 . 1 1 19 19 SER HB3 H 1 4.07 0.02 . 2 . . . . 106 . . . 6344 1 121 . 1 1 19 19 SER C C 13 175.1 0.2 . 1 . . . . 107 . . . 6344 1 122 . 1 1 19 19 SER CA C 13 60.5 0.2 . 1 . . . . 108 . . . 6344 1 123 . 1 1 19 19 SER CB C 13 62.5 0.2 . 1 . . . . 109 . . . 6344 1 124 . 1 1 19 19 SER N N 15 118.5 0.2 . 1 . . . . 110 . . . 6344 1 125 . 1 1 20 20 SER H H 1 8.42 0.02 . 1 . . . . 111 . . . 6344 1 126 . 1 1 20 20 SER HA H 1 4.33 0.02 . 1 . . . . 112 . . . 6344 1 127 . 1 1 20 20 SER HB2 H 1 3.91 0.02 . 2 . . . . 113 . . . 6344 1 128 . 1 1 20 20 SER HB3 H 1 4.15 0.02 . 2 . . . . 114 . . . 6344 1 129 . 1 1 20 20 SER C C 13 175.9 0.2 . 1 . . . . 115 . . . 6344 1 130 . 1 1 20 20 SER CA C 13 60.8 0.2 . 1 . . . . 116 . . . 6344 1 131 . 1 1 20 20 SER CB C 13 62.2 0.2 . 1 . . . . 117 . . . 6344 1 132 . 1 1 20 20 SER N N 15 117.0 0.2 . 1 . . . . 118 . . . 6344 1 133 . 1 1 21 21 GLU H H 1 7.54 0.02 . 1 . . . . 119 . . . 6344 1 134 . 1 1 21 21 GLU HA H 1 4.45 0.02 . 1 . . . . 120 . . . 6344 1 135 . 1 1 21 21 GLU HB2 H 1 2.19 0.02 . 2 . . . . 121 . . . 6344 1 136 . 1 1 21 21 GLU HB3 H 1 2.56 0.02 . 2 . . . . 122 . . . 6344 1 137 . 1 1 21 21 GLU HG2 H 1 2.21 0.02 . 2 . . . . 123 . . . 6344 1 138 . 1 1 21 21 GLU HG3 H 1 2.71 0.02 . 2 . . . . 124 . . . 6344 1 139 . 1 1 21 21 GLU C C 13 176.7 0.2 . 1 . . . . 125 . . . 6344 1 140 . 1 1 21 21 GLU CA C 13 55.9 0.2 . 1 . . . . 126 . . . 6344 1 141 . 1 1 21 21 GLU CB C 13 29.4 0.2 . 1 . . . . 127 . . . 6344 1 142 . 1 1 21 21 GLU CG C 13 36.3 0.2 . 1 . . . . 128 . . . 6344 1 143 . 1 1 21 21 GLU N N 15 119.9 0.2 . 1 . . . . 129 . . . 6344 1 144 . 1 1 22 22 GLY H H 1 8.10 0.02 . 1 . . . . 130 . . . 6344 1 145 . 1 1 22 22 GLY HA2 H 1 3.74 0.02 . 2 . . . . 131 . . . 6344 1 146 . 1 1 22 22 GLY HA3 H 1 4.52 0.02 . 2 . . . . 132 . . . 6344 1 147 . 1 1 22 22 GLY C C 13 174.3 0.2 . 1 . . . . 133 . . . 6344 1 148 . 1 1 22 22 GLY CA C 13 44.9 0.2 . 1 . . . . 134 . . . 6344 1 149 . 1 1 22 22 GLY N N 15 107.5 0.2 . 1 . . . . 135 . . . 6344 1 150 . 1 1 23 23 SER H H 1 7.10 0.02 . 1 . . . . 136 . . . 6344 1 151 . 1 1 23 23 SER HA H 1 4.96 0.02 . 1 . . . . 137 . . . 6344 1 152 . 1 1 23 23 SER HB2 H 1 3.37 0.02 . 2 . . . . 138 . . . 6344 1 153 . 1 1 23 23 SER HB3 H 1 3.71 0.02 . 2 . . . . 139 . . . 6344 1 154 . 1 1 23 23 SER C C 13 172.3 0.2 . 1 . . . . 140 . . . 6344 1 155 . 1 1 23 23 SER CA C 13 59.0 0.2 . 1 . . . . 141 . . . 6344 1 156 . 1 1 23 23 SER CB C 13 63.7 0.2 . 1 . . . . 142 . . . 6344 1 157 . 1 1 23 23 SER N N 15 117.1 0.2 . 1 . . . . 143 . . . 6344 1 158 . 1 1 24 24 GLU H H 1 8.56 0.02 . 1 . . . . 144 . . . 6344 1 159 . 1 1 24 24 GLU HA H 1 4.68 0.02 . 1 . . . . 145 . . . 6344 1 160 . 1 1 24 24 GLU HB2 H 1 2.00 0.02 . 2 . . . . 146 . . . 6344 1 161 . 1 1 24 24 GLU HB3 H 1 2.15 0.02 . 2 . . . . 147 . . . 6344 1 162 . 1 1 24 24 GLU HG2 H 1 2.34 0.02 . 2 . . . . 148 . . . 6344 1 163 . 1 1 24 24 GLU HG3 H 1 2.59 0.02 . 2 . . . . 149 . . . 6344 1 164 . 1 1 24 24 GLU C C 13 174.3 0.2 . 1 . . . . 150 . . . 6344 1 165 . 1 1 24 24 GLU CA C 13 55.3 0.2 . 1 . . . . 151 . . . 6344 1 166 . 1 1 24 24 GLU CB C 13 36.1 0.2 . 1 . . . . 152 . . . 6344 1 167 . 1 1 24 24 GLU CG C 13 36.3 0.2 . 1 . . . . 153 . . . 6344 1 168 . 1 1 24 24 GLU N N 15 119.0 0.2 . 1 . . . . 154 . . . 6344 1 169 . 1 1 25 25 VAL H H 1 9.35 0.02 . 1 . . . . 155 . . . 6344 1 170 . 1 1 25 25 VAL HA H 1 4.96 0.02 . 1 . . . . 156 . . . 6344 1 171 . 1 1 25 25 VAL HB H 1 1.74 0.02 . 1 . . . . 157 . . . 6344 1 172 . 1 1 25 25 VAL HG11 H 1 0.73 0.02 . 2 . . . . 158 . . . 6344 1 173 . 1 1 25 25 VAL HG12 H 1 0.73 0.02 . 2 . . . . 158 . . . 6344 1 174 . 1 1 25 25 VAL HG13 H 1 0.73 0.02 . 2 . . . . 158 . . . 6344 1 175 . 1 1 25 25 VAL HG21 H 1 0.72 0.02 . 2 . . . . 159 . . . 6344 1 176 . 1 1 25 25 VAL HG22 H 1 0.72 0.02 . 2 . . . . 159 . . . 6344 1 177 . 1 1 25 25 VAL HG23 H 1 0.72 0.02 . 2 . . . . 159 . . . 6344 1 178 . 1 1 25 25 VAL C C 13 176.0 0.2 . 1 . . . . 160 . . . 6344 1 179 . 1 1 25 25 VAL CA C 13 61.7 0.2 . 1 . . . . 161 . . . 6344 1 180 . 1 1 25 25 VAL CB C 13 31.2 0.2 . 1 . . . . 162 . . . 6344 1 181 . 1 1 25 25 VAL CG1 C 13 21.7 0.2 . 2 . . . . 163 . . . 6344 1 182 . 1 1 25 25 VAL CG2 C 13 22.8 0.2 . 2 . . . . 164 . . . 6344 1 183 . 1 1 25 25 VAL N N 15 126.0 0.2 . 1 . . . . 165 . . . 6344 1 184 . 1 1 26 26 ILE H H 1 9.10 0.02 . 1 . . . . 166 . . . 6344 1 185 . 1 1 26 26 ILE HA H 1 4.73 0.02 . 1 . . . . 167 . . . 6344 1 186 . 1 1 26 26 ILE HB H 1 2.11 0.02 . 1 . . . . 168 . . . 6344 1 187 . 1 1 26 26 ILE HG12 H 1 1.40 0.02 . 1 . . . . 169 . . . 6344 1 188 . 1 1 26 26 ILE HG13 H 1 1.40 0.02 . 1 . . . . 170 . . . 6344 1 189 . 1 1 26 26 ILE HG21 H 1 0.95 0.02 . 1 . . . . 171 . . . 6344 1 190 . 1 1 26 26 ILE HG22 H 1 0.95 0.02 . 1 . . . . 171 . . . 6344 1 191 . 1 1 26 26 ILE HG23 H 1 0.95 0.02 . 1 . . . . 171 . . . 6344 1 192 . 1 1 26 26 ILE HD11 H 1 1.05 0.02 . 1 . . . . 172 . . . 6344 1 193 . 1 1 26 26 ILE HD12 H 1 1.05 0.02 . 1 . . . . 172 . . . 6344 1 194 . 1 1 26 26 ILE HD13 H 1 1.05 0.02 . 1 . . . . 172 . . . 6344 1 195 . 1 1 26 26 ILE CA C 13 60.2 0.2 . 1 . . . . 173 . . . 6344 1 196 . 1 1 26 26 ILE CB C 13 41.7 0.2 . 1 . . . . 174 . . . 6344 1 197 . 1 1 26 26 ILE CG1 C 13 26.4 0.2 . 1 . . . . 175 . . . 6344 1 198 . 1 1 26 26 ILE CG2 C 13 18.1 0.2 . 1 . . . . 176 . . . 6344 1 199 . 1 1 26 26 ILE CD1 C 13 14.4 0.2 . 1 . . . . 177 . . . 6344 1 200 . 1 1 26 26 ILE N N 15 121.5 0.2 . 1 . . . . 178 . . . 6344 1 201 . 1 1 27 27 LEU HA H 1 4.13 0.02 . 1 . . . . 179 . . . 6344 1 202 . 1 1 27 27 LEU HB2 H 1 1.57 0.02 . 2 . . . . 180 . . . 6344 1 203 . 1 1 27 27 LEU HB3 H 1 1.84 0.02 . 2 . . . . 181 . . . 6344 1 204 . 1 1 27 27 LEU HG H 1 1.55 0.02 . 1 . . . . 182 . . . 6344 1 205 . 1 1 27 27 LEU HD11 H 1 0.94 0.02 . 1 . . . . 183 . . . 6344 1 206 . 1 1 27 27 LEU HD12 H 1 0.94 0.02 . 1 . . . . 183 . . . 6344 1 207 . 1 1 27 27 LEU HD13 H 1 0.94 0.02 . 1 . . . . 183 . . . 6344 1 208 . 1 1 27 27 LEU HD21 H 1 0.88 0.02 . 1 . . . . 184 . . . 6344 1 209 . 1 1 27 27 LEU HD22 H 1 0.88 0.02 . 1 . . . . 184 . . . 6344 1 210 . 1 1 27 27 LEU HD23 H 1 0.88 0.02 . 1 . . . . 184 . . . 6344 1 211 . 1 1 27 27 LEU C C 13 175.5 0.2 . 1 . . . . 185 . . . 6344 1 212 . 1 1 27 27 LEU CA C 13 55.3 0.2 . 1 . . . . 186 . . . 6344 1 213 . 1 1 27 27 LEU CB C 13 41.5 0.2 . 1 . . . . 187 . . . 6344 1 214 . 1 1 27 27 LEU CG C 13 27.2 0.2 . 1 . . . . 188 . . . 6344 1 215 . 1 1 27 27 LEU CD1 C 13 25.7 0.2 . 1 . . . . 189 . . . 6344 1 216 . 1 1 27 27 LEU CD2 C 13 23.0 0.2 . 1 . . . . 190 . . . 6344 1 217 . 1 1 28 28 ALA H H 1 8.29 0.02 . 1 . . . . 191 . . . 6344 1 218 . 1 1 28 28 ALA HA H 1 5.44 0.02 . 1 . . . . 192 . . . 6344 1 219 . 1 1 28 28 ALA HB1 H 1 1.43 0.02 . 1 . . . . 193 . . . 6344 1 220 . 1 1 28 28 ALA HB2 H 1 1.43 0.02 . 1 . . . . 193 . . . 6344 1 221 . 1 1 28 28 ALA HB3 H 1 1.43 0.02 . 1 . . . . 193 . . . 6344 1 222 . 1 1 28 28 ALA C C 13 180.6 0.2 . 1 . . . . 194 . . . 6344 1 223 . 1 1 28 28 ALA CA C 13 51.6 0.2 . 1 . . . . 195 . . . 6344 1 224 . 1 1 28 28 ALA CB C 13 20.5 0.2 . 1 . . . . 196 . . . 6344 1 225 . 1 1 28 28 ALA N N 15 121.1 0.2 . 1 . . . . 197 . . . 6344 1 226 . 1 1 29 29 THR H H 1 9.24 0.02 . 1 . . . . 198 . . . 6344 1 227 . 1 1 29 29 THR HA H 1 4.30 0.02 . 1 . . . . 199 . . . 6344 1 228 . 1 1 29 29 THR HB H 1 4.70 0.02 . 1 . . . . 200 . . . 6344 1 229 . 1 1 29 29 THR HG21 H 1 1.51 0.02 . 1 . . . . 201 . . . 6344 1 230 . 1 1 29 29 THR HG22 H 1 1.51 0.02 . 1 . . . . 201 . . . 6344 1 231 . 1 1 29 29 THR HG23 H 1 1.51 0.02 . 1 . . . . 201 . . . 6344 1 232 . 1 1 29 29 THR C C 13 175.1 0.2 . 1 . . . . 202 . . . 6344 1 233 . 1 1 29 29 THR CA C 13 64.6 0.2 . 1 . . . . 203 . . . 6344 1 234 . 1 1 29 29 THR CB C 13 70.2 0.2 . 1 . . . . 204 . . . 6344 1 235 . 1 1 29 29 THR CG2 C 13 23.3 0.2 . 1 . . . . 205 . . . 6344 1 236 . 1 1 29 29 THR N N 15 113.0 0.2 . 1 . . . . 206 . . . 6344 1 237 . 1 1 30 30 SER H H 1 7.77 0.02 . 1 . . . . 207 . . . 6344 1 238 . 1 1 30 30 SER HA H 1 4.88 0.02 . 1 . . . . 208 . . . 6344 1 239 . 1 1 30 30 SER HB2 H 1 4.04 0.02 . 1 . . . . 209 . . . 6344 1 240 . 1 1 30 30 SER HB3 H 1 4.04 0.02 . 1 . . . . 210 . . . 6344 1 241 . 1 1 30 30 SER C C 13 173.0 0.2 . 1 . . . . 211 . . . 6344 1 242 . 1 1 30 30 SER CA C 13 58.8 0.2 . 1 . . . . 212 . . . 6344 1 243 . 1 1 30 30 SER CB C 13 66.4 0.2 . 1 . . . . 213 . . . 6344 1 244 . 1 1 30 30 SER N N 15 113.2 0.2 . 1 . . . . 214 . . . 6344 1 245 . 1 1 31 31 SER H H 1 8.92 0.02 . 1 . . . . 215 . . . 6344 1 246 . 1 1 31 31 SER HA H 1 4.85 0.02 . 1 . . . . 216 . . . 6344 1 247 . 1 1 31 31 SER HB2 H 1 3.93 0.02 . 1 . . . . 217 . . . 6344 1 248 . 1 1 31 31 SER HB3 H 1 3.93 0.02 . 1 . . . . 218 . . . 6344 1 249 . 1 1 31 31 SER C C 13 173.2 0.2 . 1 . . . . 219 . . . 6344 1 250 . 1 1 31 31 SER CA C 13 57.9 0.2 . 1 . . . . 220 . . . 6344 1 251 . 1 1 31 31 SER CB C 13 63.7 0.2 . 1 . . . . 221 . . . 6344 1 252 . 1 1 31 31 SER N N 15 116.6 0.2 . 1 . . . . 222 . . . 6344 1 253 . 1 1 32 32 ASP H H 1 9.13 0.02 . 1 . . . . 223 . . . 6344 1 254 . 1 1 32 32 ASP HA H 1 4.58 0.02 . 1 . . . . 224 . . . 6344 1 255 . 1 1 32 32 ASP HB2 H 1 2.57 0.02 . 1 . . . . 225 . . . 6344 1 256 . 1 1 32 32 ASP HB3 H 1 2.57 0.02 . 1 . . . . 226 . . . 6344 1 257 . 1 1 32 32 ASP C C 13 173.2 0.2 . 1 . . . . 227 . . . 6344 1 258 . 1 1 32 32 ASP CA C 13 54.1 0.2 . 1 . . . . 228 . . . 6344 1 259 . 1 1 32 32 ASP CB C 13 43.2 0.2 . 1 . . . . 229 . . . 6344 1 260 . 1 1 32 32 ASP N N 15 126.5 0.2 . 1 . . . . 230 . . . 6344 1 261 . 1 1 33 33 GLU H H 1 8.94 0.02 . 1 . . . . 231 . . . 6344 1 262 . 1 1 33 33 GLU HA H 1 4.03 0.02 . 1 . . . . 232 . . . 6344 1 263 . 1 1 33 33 GLU HB2 H 1 2.09 0.02 . 1 . . . . 233 . . . 6344 1 264 . 1 1 33 33 GLU HB3 H 1 2.09 0.02 . 1 . . . . 234 . . . 6344 1 265 . 1 1 33 33 GLU HG2 H 1 2.31 0.02 . 1 . . . . 235 . . . 6344 1 266 . 1 1 33 33 GLU HG3 H 1 2.31 0.02 . 1 . . . . 236 . . . 6344 1 267 . 1 1 33 33 GLU C C 13 177.6 0.2 . 1 . . . . 237 . . . 6344 1 268 . 1 1 33 33 GLU CA C 13 59.2 0.2 . 1 . . . . 238 . . . 6344 1 269 . 1 1 33 33 GLU CB C 13 29.5 0.2 . 1 . . . . 239 . . . 6344 1 270 . 1 1 33 33 GLU CG C 13 36.1 0.2 . 1 . . . . 240 . . . 6344 1 271 . 1 1 33 33 GLU N N 15 126.0 0.2 . 1 . . . . 241 . . . 6344 1 272 . 1 1 34 34 LYS H H 1 8.42 0.02 . 1 . . . . 242 . . . 6344 1 273 . 1 1 34 34 LYS HA H 1 4.03 0.02 . 1 . . . . 243 . . . 6344 1 274 . 1 1 34 34 LYS HB2 H 1 1.31 0.02 . 2 . . . . 244 . . . 6344 1 275 . 1 1 34 34 LYS HB3 H 1 1.56 0.02 . 2 . . . . 245 . . . 6344 1 276 . 1 1 34 34 LYS HG2 H 1 1.27 0.02 . 2 . . . . 246 . . . 6344 1 277 . 1 1 34 34 LYS HG3 H 1 1.40 0.02 . 2 . . . . 247 . . . 6344 1 278 . 1 1 34 34 LYS HD2 H 1 1.62 0.02 . 1 . . . . 248 . . . 6344 1 279 . 1 1 34 34 LYS HD3 H 1 1.62 0.02 . 1 . . . . 249 . . . 6344 1 280 . 1 1 34 34 LYS HE2 H 1 2.97 0.02 . 1 . . . . 250 . . . 6344 1 281 . 1 1 34 34 LYS HE3 H 1 2.97 0.02 . 1 . . . . 251 . . . 6344 1 282 . 1 1 34 34 LYS C C 13 176.6 0.2 . 1 . . . . 252 . . . 6344 1 283 . 1 1 34 34 LYS CA C 13 56.8 0.2 . 1 . . . . 253 . . . 6344 1 284 . 1 1 34 34 LYS CB C 13 32.6 0.2 . 1 . . . . 254 . . . 6344 1 285 . 1 1 34 34 LYS CG C 13 25.2 0.2 . 1 . . . . 255 . . . 6344 1 286 . 1 1 34 34 LYS CD C 13 28.5 0.2 . 1 . . . . 256 . . . 6344 1 287 . 1 1 34 34 LYS CE C 13 41.8 0.2 . 1 . . . . 257 . . . 6344 1 288 . 1 1 34 34 LYS N N 15 116.7 0.2 . 1 . . . . 258 . . . 6344 1 289 . 1 1 35 35 HIS H H 1 7.82 0.02 . 1 . . . . 259 . . . 6344 1 290 . 1 1 35 35 HIS HA H 1 4.58 0.02 . 1 . . . . 260 . . . 6344 1 291 . 1 1 35 35 HIS HB2 H 1 2.78 0.02 . 2 . . . . 261 . . . 6344 1 292 . 1 1 35 35 HIS HB3 H 1 3.50 0.02 . 2 . . . . 262 . . . 6344 1 293 . 1 1 35 35 HIS HD2 H 1 6.81 0.02 . 1 . . . . 263 . . . 6344 1 294 . 1 1 35 35 HIS CA C 13 54.0 0.2 . 1 . . . . 264 . . . 6344 1 295 . 1 1 35 35 HIS CB C 13 30.2 0.2 . 1 . . . . 265 . . . 6344 1 296 . 1 1 35 35 HIS CD2 C 13 121.2 0.2 . 1 . . . . 266 . . . 6344 1 297 . 1 1 35 35 HIS N N 15 115.8 0.2 . 1 . . . . 267 . . . 6344 1 298 . 1 1 36 36 PRO HA H 1 4.94 0.02 . 1 . . . . 268 . . . 6344 1 299 . 1 1 36 36 PRO HB2 H 1 2.33 0.02 . 2 . . . . 269 . . . 6344 1 300 . 1 1 36 36 PRO HB3 H 1 2.49 0.02 . 2 . . . . 270 . . . 6344 1 301 . 1 1 36 36 PRO HG2 H 1 1.72 0.02 . 2 . . . . 271 . . . 6344 1 302 . 1 1 36 36 PRO HG3 H 1 2.03 0.02 . 2 . . . . 272 . . . 6344 1 303 . 1 1 36 36 PRO HD2 H 1 3.32 0.02 . 2 . . . . 273 . . . 6344 1 304 . 1 1 36 36 PRO HD3 H 1 3.47 0.02 . 2 . . . . 274 . . . 6344 1 305 . 1 1 36 36 PRO CA C 13 62.7 0.2 . 1 . . . . 275 . . . 6344 1 306 . 1 1 36 36 PRO CB C 13 31.4 0.2 . 1 . . . . 276 . . . 6344 1 307 . 1 1 36 36 PRO CG C 13 27.1 0.2 . 1 . . . . 277 . . . 6344 1 308 . 1 1 36 36 PRO CD C 13 50.4 0.2 . 1 . . . . 278 . . . 6344 1 309 . 1 1 37 37 PRO HA H 1 3.85 0.02 . 1 . . . . 279 . . . 6344 1 310 . 1 1 37 37 PRO HB2 H 1 1.50 0.02 . 2 . . . . 280 . . . 6344 1 311 . 1 1 37 37 PRO HB3 H 1 1.71 0.02 . 2 . . . . 281 . . . 6344 1 312 . 1 1 37 37 PRO HG2 H 1 2.00 0.02 . 2 . . . . 282 . . . 6344 1 313 . 1 1 37 37 PRO HG3 H 1 2.21 0.02 . 2 . . . . 283 . . . 6344 1 314 . 1 1 37 37 PRO HD2 H 1 3.95 0.02 . 2 . . . . 284 . . . 6344 1 315 . 1 1 37 37 PRO HD3 H 1 4.04 0.02 . 2 . . . . 285 . . . 6344 1 316 . 1 1 37 37 PRO C C 13 177.2 0.2 . 1 . . . . 286 . . . 6344 1 317 . 1 1 37 37 PRO CA C 13 65.2 0.2 . 1 . . . . 287 . . . 6344 1 318 . 1 1 37 37 PRO CB C 13 31.4 0.2 . 1 . . . . 288 . . . 6344 1 319 . 1 1 37 37 PRO CG C 13 27.9 0.2 . 1 . . . . 289 . . . 6344 1 320 . 1 1 37 37 PRO CD C 13 51.0 0.2 . 1 . . . . 290 . . . 6344 1 321 . 1 1 38 38 GLU H H 1 9.13 0.02 . 1 . . . . 291 . . . 6344 1 322 . 1 1 38 38 GLU HA H 1 3.94 0.02 . 1 . . . . 292 . . . 6344 1 323 . 1 1 38 38 GLU HB2 H 1 2.08 0.02 . 1 . . . . 293 . . . 6344 1 324 . 1 1 38 38 GLU HB3 H 1 2.08 0.02 . 1 . . . . 294 . . . 6344 1 325 . 1 1 38 38 GLU HG2 H 1 2.32 0.02 . 1 . . . . 295 . . . 6344 1 326 . 1 1 38 38 GLU HG3 H 1 2.32 0.02 . 1 . . . . 296 . . . 6344 1 327 . 1 1 38 38 GLU C C 13 177.7 0.2 . 1 . . . . 297 . . . 6344 1 328 . 1 1 38 38 GLU CA C 13 59.6 0.2 . 1 . . . . 298 . . . 6344 1 329 . 1 1 38 38 GLU CB C 13 28.3 0.2 . 1 . . . . 299 . . . 6344 1 330 . 1 1 38 38 GLU CG C 13 36.4 0.2 . 1 . . . . 300 . . . 6344 1 331 . 1 1 38 38 GLU N N 15 116.4 0.2 . 1 . . . . 301 . . . 6344 1 332 . 1 1 39 39 ASN H H 1 8.02 0.02 . 1 . . . . 302 . . . 6344 1 333 . 1 1 39 39 ASN HA H 1 4.38 0.02 . 1 . . . . 303 . . . 6344 1 334 . 1 1 39 39 ASN HB2 H 1 2.22 0.02 . 2 . . . . 304 . . . 6344 1 335 . 1 1 39 39 ASN HB3 H 1 2.85 0.02 . 2 . . . . 305 . . . 6344 1 336 . 1 1 39 39 ASN HD21 H 1 7.35 0.02 . 2 . . . . 306 . . . 6344 1 337 . 1 1 39 39 ASN HD22 H 1 7.20 0.02 . 2 . . . . 307 . . . 6344 1 338 . 1 1 39 39 ASN C C 13 177.7 0.2 . 1 . . . . 308 . . . 6344 1 339 . 1 1 39 39 ASN CA C 13 53.7 0.2 . 1 . . . . 309 . . . 6344 1 340 . 1 1 39 39 ASN CB C 13 37.4 0.2 . 1 . . . . 310 . . . 6344 1 341 . 1 1 39 39 ASN N N 15 117.6 0.2 . 1 . . . . 311 . . . 6344 1 342 . 1 1 39 39 ASN ND2 N 15 107.7 0.2 . 1 . . . . 312 . . . 6344 1 343 . 1 1 40 40 ILE H H 1 8.51 0.02 . 1 . . . . 313 . . . 6344 1 344 . 1 1 40 40 ILE HA H 1 3.40 0.02 . 1 . . . . 314 . . . 6344 1 345 . 1 1 40 40 ILE HB H 1 1.38 0.02 . 1 . . . . 315 . . . 6344 1 346 . 1 1 40 40 ILE HG12 H 1 0.44 0.02 . 2 . . . . 316 . . . 6344 1 347 . 1 1 40 40 ILE HG13 H 1 1.54 0.02 . 2 . . . . 317 . . . 6344 1 348 . 1 1 40 40 ILE HG21 H 1 0.59 0.02 . 1 . . . . 318 . . . 6344 1 349 . 1 1 40 40 ILE HG22 H 1 0.59 0.02 . 1 . . . . 318 . . . 6344 1 350 . 1 1 40 40 ILE HG23 H 1 0.59 0.02 . 1 . . . . 318 . . . 6344 1 351 . 1 1 40 40 ILE HD11 H 1 -0.71 0.02 . 1 . . . . 319 . . . 6344 1 352 . 1 1 40 40 ILE HD12 H 1 -0.71 0.02 . 1 . . . . 319 . . . 6344 1 353 . 1 1 40 40 ILE HD13 H 1 -0.71 0.02 . 1 . . . . 319 . . . 6344 1 354 . 1 1 40 40 ILE C C 13 174.6 0.2 . 1 . . . . 320 . . . 6344 1 355 . 1 1 40 40 ILE CA C 13 65.6 0.2 . 1 . . . . 321 . . . 6344 1 356 . 1 1 40 40 ILE CB C 13 39.3 0.2 . 1 . . . . 322 . . . 6344 1 357 . 1 1 40 40 ILE CG1 C 13 31.0 0.2 . 1 . . . . 323 . . . 6344 1 358 . 1 1 40 40 ILE CG2 C 13 18.7 0.2 . 1 . . . . 324 . . . 6344 1 359 . 1 1 40 40 ILE CD1 C 13 10.7 0.2 . 1 . . . . 325 . . . 6344 1 360 . 1 1 40 40 ILE N N 15 125.9 0.2 . 1 . . . . 326 . . . 6344 1 361 . 1 1 41 41 ILE H H 1 6.60 0.02 . 1 . . . . 327 . . . 6344 1 362 . 1 1 41 41 ILE HA H 1 5.18 0.02 . 1 . . . . 328 . . . 6344 1 363 . 1 1 41 41 ILE HB H 1 3.01 0.02 . 1 . . . . 329 . . . 6344 1 364 . 1 1 41 41 ILE HG12 H 1 1.45 0.02 . 1 . . . . 330 . . . 6344 1 365 . 1 1 41 41 ILE HG13 H 1 1.45 0.02 . 1 . . . . 331 . . . 6344 1 366 . 1 1 41 41 ILE HG21 H 1 0.66 0.02 . 1 . . . . 332 . . . 6344 1 367 . 1 1 41 41 ILE HG22 H 1 0.66 0.02 . 1 . . . . 332 . . . 6344 1 368 . 1 1 41 41 ILE HG23 H 1 0.66 0.02 . 1 . . . . 332 . . . 6344 1 369 . 1 1 41 41 ILE HD11 H 1 0.79 0.02 . 1 . . . . 333 . . . 6344 1 370 . 1 1 41 41 ILE HD12 H 1 0.79 0.02 . 1 . . . . 333 . . . 6344 1 371 . 1 1 41 41 ILE HD13 H 1 0.79 0.02 . 1 . . . . 333 . . . 6344 1 372 . 1 1 41 41 ILE C C 13 174.6 0.2 . 1 . . . . 334 . . . 6344 1 373 . 1 1 41 41 ILE CA C 13 60.7 0.2 . 1 . . . . 335 . . . 6344 1 374 . 1 1 41 41 ILE CB C 13 36.5 0.2 . 1 . . . . 336 . . . 6344 1 375 . 1 1 41 41 ILE CG1 C 13 26.0 0.2 . 1 . . . . 337 . . . 6344 1 376 . 1 1 41 41 ILE CG2 C 13 18.7 0.2 . 1 . . . . 338 . . . 6344 1 377 . 1 1 41 41 ILE CD1 C 13 14.4 0.2 . 1 . . . . 339 . . . 6344 1 378 . 1 1 41 41 ILE N N 15 107.1 0.2 . 1 . . . . 340 . . . 6344 1 379 . 1 1 42 42 ASP H H 1 7.44 0.02 . 1 . . . . 341 . . . 6344 1 380 . 1 1 42 42 ASP HA H 1 4.63 0.02 . 1 . . . . 342 . . . 6344 1 381 . 1 1 42 42 ASP HB2 H 1 2.86 0.02 . 2 . . . . 343 . . . 6344 1 382 . 1 1 42 42 ASP HB3 H 1 3.16 0.02 . 2 . . . . 344 . . . 6344 1 383 . 1 1 42 42 ASP C C 13 176.8 0.2 . 1 . . . . 345 . . . 6344 1 384 . 1 1 42 42 ASP CA C 13 53.2 0.2 . 1 . . . . 346 . . . 6344 1 385 . 1 1 42 42 ASP CB C 13 40.6 0.2 . 1 . . . . 347 . . . 6344 1 386 . 1 1 42 42 ASP N N 15 117.6 0.2 . 1 . . . . 348 . . . 6344 1 387 . 1 1 43 43 GLY H H 1 8.86 0.02 . 1 . . . . 349 . . . 6344 1 388 . 1 1 43 43 GLY HA2 H 1 3.82 0.02 . 2 . . . . 350 . . . 6344 1 389 . 1 1 43 43 GLY HA3 H 1 4.04 0.02 . 2 . . . . 351 . . . 6344 1 390 . 1 1 43 43 GLY C C 13 172.8 0.2 . 1 . . . . 352 . . . 6344 1 391 . 1 1 43 43 GLY CA C 13 46.2 0.2 . 1 . . . . 353 . . . 6344 1 392 . 1 1 43 43 GLY N N 15 110.5 0.2 . 1 . . . . 354 . . . 6344 1 393 . 1 1 44 44 ASN H H 1 7.65 0.02 . 1 . . . . 355 . . . 6344 1 394 . 1 1 44 44 ASN HA H 1 5.45 0.02 . 1 . . . . 356 . . . 6344 1 395 . 1 1 44 44 ASN HB2 H 1 2.57 0.02 . 2 . . . . 357 . . . 6344 1 396 . 1 1 44 44 ASN HB3 H 1 3.32 0.02 . 2 . . . . 358 . . . 6344 1 397 . 1 1 44 44 ASN HD21 H 1 7.79 0.02 . 1 . . . . 359 . . . 6344 1 398 . 1 1 44 44 ASN HD22 H 1 7.45 0.02 . 1 . . . . 360 . . . 6344 1 399 . 1 1 44 44 ASN CA C 13 49.2 0.2 . 1 . . . . 361 . . . 6344 1 400 . 1 1 44 44 ASN CB C 13 40.4 0.2 . 1 . . . . 362 . . . 6344 1 401 . 1 1 44 44 ASN N N 15 116.0 0.2 . 1 . . . . 363 . . . 6344 1 402 . 1 1 44 44 ASN ND2 N 15 113.2 0.2 . 1 . . . . 364 . . . 6344 1 403 . 1 1 45 45 PRO HA H 1 4.34 0.02 . 1 . . . . 365 . . . 6344 1 404 . 1 1 45 45 PRO HB2 H 1 2.12 0.02 . 2 . . . . 366 . . . 6344 1 405 . 1 1 45 45 PRO HB3 H 1 2.50 0.02 . 2 . . . . 367 . . . 6344 1 406 . 1 1 45 45 PRO HG2 H 1 2.13 0.02 . 1 . . . . 368 . . . 6344 1 407 . 1 1 45 45 PRO HG3 H 1 2.13 0.02 . 1 . . . . 369 . . . 6344 1 408 . 1 1 45 45 PRO HD2 H 1 3.98 0.02 . 2 . . . . 370 . . . 6344 1 409 . 1 1 45 45 PRO HD3 H 1 4.15 0.02 . 2 . . . . 371 . . . 6344 1 410 . 1 1 45 45 PRO C C 13 175.8 0.2 . 1 . . . . 372 . . . 6344 1 411 . 1 1 45 45 PRO CA C 13 65.0 0.2 . 1 . . . . 373 . . . 6344 1 412 . 1 1 45 45 PRO CB C 13 32.5 0.2 . 1 . . . . 374 . . . 6344 1 413 . 1 1 45 45 PRO CG C 13 26.8 0.2 . 1 . . . . 375 . . . 6344 1 414 . 1 1 45 45 PRO CD C 13 52.0 0.2 . 1 . . . . 376 . . . 6344 1 415 . 1 1 46 46 GLU H H 1 8.44 0.02 . 1 . . . . 377 . . . 6344 1 416 . 1 1 46 46 GLU HA H 1 4.46 0.02 . 1 . . . . 378 . . . 6344 1 417 . 1 1 46 46 GLU HB2 H 1 2.13 0.02 . 2 . . . . 379 . . . 6344 1 418 . 1 1 46 46 GLU HB3 H 1 2.24 0.02 . 2 . . . . 380 . . . 6344 1 419 . 1 1 46 46 GLU HG2 H 1 2.34 0.02 . 2 . . . . 381 . . . 6344 1 420 . 1 1 46 46 GLU HG3 H 1 2.43 0.02 . 2 . . . . 382 . . . 6344 1 421 . 1 1 46 46 GLU C C 13 178.4 0.2 . 1 . . . . 383 . . . 6344 1 422 . 1 1 46 46 GLU CA C 13 57.8 0.2 . 1 . . . . 384 . . . 6344 1 423 . 1 1 46 46 GLU CB C 13 30.2 0.2 . 1 . . . . 385 . . . 6344 1 424 . 1 1 46 46 GLU CG C 13 36.8 0.2 . 1 . . . . 386 . . . 6344 1 425 . 1 1 46 46 GLU N N 15 115.3 0.2 . 1 . . . . 387 . . . 6344 1 426 . 1 1 47 47 THR H H 1 7.30 0.02 . 1 . . . . 388 . . . 6344 1 427 . 1 1 47 47 THR HA H 1 4.79 0.02 . 1 . . . . 389 . . . 6344 1 428 . 1 1 47 47 THR HB H 1 4.17 0.02 . 1 . . . . 390 . . . 6344 1 429 . 1 1 47 47 THR HG21 H 1 1.20 0.02 . 1 . . . . 391 . . . 6344 1 430 . 1 1 47 47 THR HG22 H 1 1.20 0.02 . 1 . . . . 391 . . . 6344 1 431 . 1 1 47 47 THR HG23 H 1 1.20 0.02 . 1 . . . . 391 . . . 6344 1 432 . 1 1 47 47 THR C C 13 175.8 0.2 . 1 . . . . 392 . . . 6344 1 433 . 1 1 47 47 THR CA C 13 58.6 0.2 . 1 . . . . 393 . . . 6344 1 434 . 1 1 47 47 THR CB C 13 69.7 0.2 . 1 . . . . 394 . . . 6344 1 435 . 1 1 47 47 THR CG2 C 13 21.4 0.2 . 1 . . . . 395 . . . 6344 1 436 . 1 1 47 47 THR N N 15 106.8 0.2 . 1 . . . . 396 . . . 6344 1 437 . 1 1 48 48 PHE H H 1 10.8 0.02 . 1 . . . . 397 . . . 6344 1 438 . 1 1 48 48 PHE HA H 1 5.35 0.02 . 1 . . . . 398 . . . 6344 1 439 . 1 1 48 48 PHE HB2 H 1 2.25 0.02 . 1 . . . . 399 . . . 6344 1 440 . 1 1 48 48 PHE HB3 H 1 2.25 0.02 . 1 . . . . 400 . . . 6344 1 441 . 1 1 48 48 PHE HD1 H 1 6.68 0.02 . 1 . . . . 401 . . . 6344 1 442 . 1 1 48 48 PHE HD2 H 1 6.68 0.02 . 1 . . . . 402 . . . 6344 1 443 . 1 1 48 48 PHE HE1 H 1 6.92 0.02 . 1 . . . . 403 . . . 6344 1 444 . 1 1 48 48 PHE HE2 H 1 6.92 0.02 . 1 . . . . 404 . . . 6344 1 445 . 1 1 48 48 PHE C C 13 173.8 0.2 . 1 . . . . 405 . . . 6344 1 446 . 1 1 48 48 PHE CA C 13 54.5 0.2 . 1 . . . . 406 . . . 6344 1 447 . 1 1 48 48 PHE CD1 C 13 133.1 0.2 . 1 . . . . 407 . . . 6344 1 448 . 1 1 48 48 PHE CD2 C 13 133.1 0.2 . 1 . . . . 408 . . . 6344 1 449 . 1 1 48 48 PHE CE1 C 13 130.6 0.2 . 1 . . . . 409 . . . 6344 1 450 . 1 1 48 48 PHE CE2 C 13 130.6 0.2 . 1 . . . . 410 . . . 6344 1 451 . 1 1 49 49 TRP H H 1 8.75 0.02 . 1 . . . . 411 . . . 6344 1 452 . 1 1 49 49 TRP HA H 1 4.93 0.02 . 1 . . . . 412 . . . 6344 1 453 . 1 1 49 49 TRP HB2 H 1 2.91 0.02 . 2 . . . . 413 . . . 6344 1 454 . 1 1 49 49 TRP HB3 H 1 3.02 0.02 . 2 . . . . 414 . . . 6344 1 455 . 1 1 49 49 TRP HD1 H 1 7.37 0.02 . 1 . . . . 415 . . . 6344 1 456 . 1 1 49 49 TRP HE1 H 1 10.41 0.02 . 1 . . . . 416 . . . 6344 1 457 . 1 1 49 49 TRP HE3 H 1 6.75 0.02 . 1 . . . . 417 . . . 6344 1 458 . 1 1 49 49 TRP HZ2 H 1 7.58 0.02 . 1 . . . . 418 . . . 6344 1 459 . 1 1 49 49 TRP HH2 H 1 7.09 0.02 . 1 . . . . 419 . . . 6344 1 460 . 1 1 49 49 TRP C C 13 175.5 0.2 . 1 . . . . 420 . . . 6344 1 461 . 1 1 49 49 TRP CA C 13 55.5 0.2 . 1 . . . . 421 . . . 6344 1 462 . 1 1 49 49 TRP CB C 13 32.3 0.2 . 1 . . . . 422 . . . 6344 1 463 . 1 1 49 49 TRP CD1 C 13 126.8 0.2 . 1 . . . . 423 . . . 6344 1 464 . 1 1 49 49 TRP CE3 C 13 121.3 0.2 . 1 . . . . 424 . . . 6344 1 465 . 1 1 49 49 TRP CZ2 C 13 113.3 0.2 . 1 . . . . 425 . . . 6344 1 466 . 1 1 49 49 TRP CH2 C 13 123.8 0.2 . 1 . . . . 426 . . . 6344 1 467 . 1 1 49 49 TRP N N 15 124.2 0.2 . 1 . . . . 427 . . . 6344 1 468 . 1 1 49 49 TRP NE1 N 15 131.1 0.2 . 1 . . . . 428 . . . 6344 1 469 . 1 1 50 50 THR H H 1 6.50 0.02 . 1 . . . . 429 . . . 6344 1 470 . 1 1 50 50 THR HA H 1 5.18 0.02 . 1 . . . . 430 . . . 6344 1 471 . 1 1 50 50 THR HB H 1 3.71 0.02 . 1 . . . . 431 . . . 6344 1 472 . 1 1 50 50 THR HG21 H 1 0.98 0.02 . 1 . . . . 432 . . . 6344 1 473 . 1 1 50 50 THR HG22 H 1 0.98 0.02 . 1 . . . . 432 . . . 6344 1 474 . 1 1 50 50 THR HG23 H 1 0.98 0.02 . 1 . . . . 432 . . . 6344 1 475 . 1 1 50 50 THR C C 13 171.5 0.2 . 1 . . . . 433 . . . 6344 1 476 . 1 1 50 50 THR CA C 13 59.3 0.2 . 1 . . . . 434 . . . 6344 1 477 . 1 1 50 50 THR CB C 13 71.9 0.2 . 1 . . . . 435 . . . 6344 1 478 . 1 1 50 50 THR CG2 C 13 20.3 0.2 . 1 . . . . 436 . . . 6344 1 479 . 1 1 50 50 THR N N 15 120.7 0.2 . 1 . . . . 437 . . . 6344 1 480 . 1 1 51 51 THR H H 1 7.85 0.02 . 1 . . . . 438 . . . 6344 1 481 . 1 1 51 51 THR HA H 1 3.85 0.02 . 1 . . . . 439 . . . 6344 1 482 . 1 1 51 51 THR HB H 1 3.71 0.02 . 1 . . . . 440 . . . 6344 1 483 . 1 1 51 51 THR HG21 H 1 0.82 0.02 . 1 . . . . 441 . . . 6344 1 484 . 1 1 51 51 THR HG22 H 1 0.82 0.02 . 1 . . . . 441 . . . 6344 1 485 . 1 1 51 51 THR HG23 H 1 0.82 0.02 . 1 . . . . 441 . . . 6344 1 486 . 1 1 51 51 THR C C 13 174.4 0.2 . 1 . . . . 442 . . . 6344 1 487 . 1 1 51 51 THR CA C 13 61.0 0.2 . 1 . . . . 443 . . . 6344 1 488 . 1 1 51 51 THR CB C 13 70.3 0.2 . 1 . . . . 444 . . . 6344 1 489 . 1 1 51 51 THR CG2 C 13 21.8 0.2 . 1 . . . . 445 . . . 6344 1 490 . 1 1 51 51 THR N N 15 113.8 0.2 . 1 . . . . 446 . . . 6344 1 491 . 1 1 52 52 THR H H 1 8.35 0.02 . 1 . . . . 447 . . . 6344 1 492 . 1 1 52 52 THR HA H 1 4.55 0.02 . 1 . . . . 448 . . . 6344 1 493 . 1 1 52 52 THR HB H 1 4.37 0.02 . 1 . . . . 449 . . . 6344 1 494 . 1 1 52 52 THR HG21 H 1 1.10 0.02 . 1 . . . . 450 . . . 6344 1 495 . 1 1 52 52 THR HG22 H 1 1.10 0.02 . 1 . . . . 450 . . . 6344 1 496 . 1 1 52 52 THR HG23 H 1 1.10 0.02 . 1 . . . . 450 . . . 6344 1 497 . 1 1 52 52 THR C C 13 174.9 0.2 . 1 . . . . 451 . . . 6344 1 498 . 1 1 52 52 THR CA C 13 61.2 0.2 . 1 . . . . 452 . . . 6344 1 499 . 1 1 52 52 THR CB C 13 70.2 0.2 . 1 . . . . 453 . . . 6344 1 500 . 1 1 52 52 THR CG2 C 13 21.3 0.2 . 1 . . . . 454 . . . 6344 1 501 . 1 1 52 52 THR N N 15 108.1 0.2 . 1 . . . . 455 . . . 6344 1 502 . 1 1 53 53 GLY H H 1 7.41 0.02 . 1 . . . . 456 . . . 6344 1 503 . 1 1 53 53 GLY HA2 H 1 3.92 0.02 . 2 . . . . 457 . . . 6344 1 504 . 1 1 53 53 GLY HA3 H 1 4.24 0.02 . 2 . . . . 458 . . . 6344 1 505 . 1 1 53 53 GLY C C 13 173.4 0.2 . 1 . . . . 459 . . . 6344 1 506 . 1 1 53 53 GLY CA C 13 44.3 0.2 . 1 . . . . 460 . . . 6344 1 507 . 1 1 53 53 GLY N N 15 109.3 0.2 . 1 . . . . 461 . . . 6344 1 508 . 1 1 54 54 MET H H 1 8.28 0.02 . 1 . . . . 462 . . . 6344 1 509 . 1 1 54 54 MET HA H 1 4.33 0.02 . 1 . . . . 463 . . . 6344 1 510 . 1 1 54 54 MET HB2 H 1 2.02 0.02 . 2 . . . . 464 . . . 6344 1 511 . 1 1 54 54 MET HB3 H 1 2.19 0.02 . 2 . . . . 465 . . . 6344 1 512 . 1 1 54 54 MET HG2 H 1 2.67 0.02 . 2 . . . . 466 . . . 6344 1 513 . 1 1 54 54 MET HG3 H 1 2.74 0.02 . 2 . . . . 467 . . . 6344 1 514 . 1 1 54 54 MET HE1 H 1 2.19 0.02 . 1 . . . . 468 . . . 6344 1 515 . 1 1 54 54 MET HE2 H 1 2.19 0.02 . 1 . . . . 468 . . . 6344 1 516 . 1 1 54 54 MET HE3 H 1 2.19 0.02 . 1 . . . . 468 . . . 6344 1 517 . 1 1 54 54 MET C C 13 175.5 0.2 . 1 . . . . 469 . . . 6344 1 518 . 1 1 54 54 MET CA C 13 55.3 0.2 . 1 . . . . 470 . . . 6344 1 519 . 1 1 54 54 MET CB C 13 33.3 0.2 . 1 . . . . 471 . . . 6344 1 520 . 1 1 54 54 MET CG C 13 32.3 0.2 . 1 . . . . 472 . . . 6344 1 521 . 1 1 54 54 MET CE C 13 17.2 0.2 . 1 . . . . 473 . . . 6344 1 522 . 1 1 54 54 MET N N 15 118.3 0.2 . 1 . . . . 474 . . . 6344 1 523 . 1 1 55 55 PHE H H 1 8.40 0.02 . 1 . . . . 475 . . . 6344 1 524 . 1 1 55 55 PHE HA H 1 4.18 0.02 . 1 . . . . 476 . . . 6344 1 525 . 1 1 55 55 PHE HB2 H 1 2.75 0.02 . 2 . . . . 477 . . . 6344 1 526 . 1 1 55 55 PHE HB3 H 1 3.26 0.02 . 2 . . . . 478 . . . 6344 1 527 . 1 1 55 55 PHE HD1 H 1 7.40 0.02 . 1 . . . . 479 . . . 6344 1 528 . 1 1 55 55 PHE HD2 H 1 7.40 0.02 . 1 . . . . 480 . . . 6344 1 529 . 1 1 55 55 PHE HE1 H 1 7.04 0.02 . 1 . . . . 481 . . . 6344 1 530 . 1 1 55 55 PHE HE2 H 1 7.04 0.02 . 1 . . . . 482 . . . 6344 1 531 . 1 1 55 55 PHE CA C 13 58.8 0.2 . 1 . . . . 483 . . . 6344 1 532 . 1 1 55 55 PHE CB C 13 38.3 0.2 . 1 . . . . 484 . . . 6344 1 533 . 1 1 55 55 PHE CD1 C 13 131.3 0.2 . 1 . . . . 485 . . . 6344 1 534 . 1 1 55 55 PHE CD2 C 13 131.3 0.2 . 1 . . . . 486 . . . 6344 1 535 . 1 1 55 55 PHE CE1 C 13 130.1 0.2 . 1 . . . . 487 . . . 6344 1 536 . 1 1 55 55 PHE CE2 C 13 130.1 0.2 . 1 . . . . 488 . . . 6344 1 537 . 1 1 55 55 PHE N N 15 121.0 0.2 . 1 . . . . 489 . . . 6344 1 538 . 1 1 56 56 PRO HA H 1 5.35 0.02 . 1 . . . . 490 . . . 6344 1 539 . 1 1 56 56 PRO HB2 H 1 2.11 0.02 . 2 . . . . 491 . . . 6344 1 540 . 1 1 56 56 PRO HB3 H 1 2.43 0.02 . 2 . . . . 492 . . . 6344 1 541 . 1 1 56 56 PRO HG2 H 1 1.98 0.02 . 2 . . . . 493 . . . 6344 1 542 . 1 1 56 56 PRO HG3 H 1 2.01 0.02 . 2 . . . . 494 . . . 6344 1 543 . 1 1 56 56 PRO HD2 H 1 3.65 0.02 . 2 . . . . 495 . . . 6344 1 544 . 1 1 56 56 PRO HD3 H 1 3.76 0.02 . 2 . . . . 496 . . . 6344 1 545 . 1 1 56 56 PRO C C 13 175.5 0.2 . 1 . . . . 497 . . . 6344 1 546 . 1 1 56 56 PRO CA C 13 62.4 0.2 . 1 . . . . 498 . . . 6344 1 547 . 1 1 56 56 PRO CB C 13 36.1 0.2 . 1 . . . . 499 . . . 6344 1 548 . 1 1 56 56 PRO CG C 13 25.2 0.2 . 1 . . . . 500 . . . 6344 1 549 . 1 1 56 56 PRO CD C 13 51.3 0.2 . 1 . . . . 501 . . . 6344 1 550 . 1 1 57 57 GLN H H 1 8.55 0.02 . 1 . . . . 502 . . . 6344 1 551 . 1 1 57 57 GLN HA H 1 4.71 0.02 . 1 . . . . 503 . . . 6344 1 552 . 1 1 57 57 GLN HB2 H 1 2.03 0.02 . 1 . . . . 504 . . . 6344 1 553 . 1 1 57 57 GLN HB3 H 1 2.03 0.02 . 1 . . . . 505 . . . 6344 1 554 . 1 1 57 57 GLN HG2 H 1 2.71 0.02 . 1 . . . . 506 . . . 6344 1 555 . 1 1 57 57 GLN HG3 H 1 2.71 0.02 . 1 . . . . 507 . . . 6344 1 556 . 1 1 57 57 GLN C C 13 173.6 0.2 . 1 . . . . 508 . . . 6344 1 557 . 1 1 57 57 GLN CA C 13 54.3 0.2 . 1 . . . . 509 . . . 6344 1 558 . 1 1 57 57 GLN CB C 13 33.0 0.2 . 1 . . . . 510 . . . 6344 1 559 . 1 1 57 57 GLN CG C 13 33.0 0.2 . 1 . . . . 511 . . . 6344 1 560 . 1 1 57 57 GLN N N 15 120.9 0.2 . 1 . . . . 512 . . . 6344 1 561 . 1 1 58 58 GLU H H 1 9.40 0.02 . 1 . . . . 513 . . . 6344 1 562 . 1 1 58 58 GLU HA H 1 6.02 0.02 . 1 . . . . 514 . . . 6344 1 563 . 1 1 58 58 GLU HB2 H 1 1.86 0.02 . 2 . . . . 515 . . . 6344 1 564 . 1 1 58 58 GLU HB3 H 1 2.16 0.02 . 2 . . . . 516 . . . 6344 1 565 . 1 1 58 58 GLU HG2 H 1 2.30 0.02 . 1 . . . . 517 . . . 6344 1 566 . 1 1 58 58 GLU HG3 H 1 2.30 0.02 . 1 . . . . 518 . . . 6344 1 567 . 1 1 58 58 GLU C C 13 174.1 0.2 . 1 . . . . 519 . . . 6344 1 568 . 1 1 58 58 GLU CA C 13 54.7 0.2 . 1 . . . . 520 . . . 6344 1 569 . 1 1 58 58 GLU CB C 13 36.1 0.2 . 1 . . . . 521 . . . 6344 1 570 . 1 1 58 58 GLU CG C 13 34.5 0.2 . 1 . . . . 522 . . . 6344 1 571 . 1 1 58 58 GLU N N 15 118.4 0.2 . 1 . . . . 523 . . . 6344 1 572 . 1 1 59 59 PHE H H 1 8.26 0.02 . 1 . . . . 524 . . . 6344 1 573 . 1 1 59 59 PHE HA H 1 4.81 0.02 . 1 . . . . 525 . . . 6344 1 574 . 1 1 59 59 PHE HB2 H 1 2.51 0.02 . 2 . . . . 526 . . . 6344 1 575 . 1 1 59 59 PHE HB3 H 1 2.60 0.02 . 2 . . . . 527 . . . 6344 1 576 . 1 1 59 59 PHE HD1 H 1 6.51 0.02 . 1 . . . . 528 . . . 6344 1 577 . 1 1 59 59 PHE HD2 H 1 6.51 0.02 . 1 . . . . 529 . . . 6344 1 578 . 1 1 59 59 PHE HE1 H 1 6.35 0.02 . 1 . . . . 530 . . . 6344 1 579 . 1 1 59 59 PHE HE2 H 1 6.35 0.02 . 1 . . . . 531 . . . 6344 1 580 . 1 1 59 59 PHE HZ H 1 6.64 0.02 . 1 . . . . 532 . . . 6344 1 581 . 1 1 59 59 PHE C C 13 172.4 0.2 . 1 . . . . 533 . . . 6344 1 582 . 1 1 59 59 PHE CA C 13 57.1 0.2 . 1 . . . . 534 . . . 6344 1 583 . 1 1 59 59 PHE CB C 13 40.4 0.2 . 1 . . . . 535 . . . 6344 1 584 . 1 1 59 59 PHE CD1 C 13 132.6 0.2 . 1 . . . . 536 . . . 6344 1 585 . 1 1 59 59 PHE CD2 C 13 132.6 0.2 . 1 . . . . 537 . . . 6344 1 586 . 1 1 59 59 PHE CE1 C 13 128.1 0.2 . 1 . . . . 538 . . . 6344 1 587 . 1 1 59 59 PHE CE2 C 13 128.1 0.2 . 1 . . . . 539 . . . 6344 1 588 . 1 1 59 59 PHE CZ C 13 130.0 0.2 . 1 . . . . 540 . . . 6344 1 589 . 1 1 59 59 PHE N N 15 111.1 0.2 . 1 . . . . 541 . . . 6344 1 590 . 1 1 60 60 ILE H H 1 8.46 0.02 . 1 . . . . 542 . . . 6344 1 591 . 1 1 60 60 ILE HA H 1 5.37 0.02 . 1 . . . . 543 . . . 6344 1 592 . 1 1 60 60 ILE HB H 1 1.82 0.02 . 1 . . . . 544 . . . 6344 1 593 . 1 1 60 60 ILE HG12 H 1 0.63 0.02 . 2 . . . . 545 . . . 6344 1 594 . 1 1 60 60 ILE HG13 H 1 1.57 0.02 . 2 . . . . 546 . . . 6344 1 595 . 1 1 60 60 ILE HG21 H 1 1.06 0.02 . 1 . . . . 547 . . . 6344 1 596 . 1 1 60 60 ILE HG22 H 1 1.06 0.02 . 1 . . . . 547 . . . 6344 1 597 . 1 1 60 60 ILE HG23 H 1 1.06 0.02 . 1 . . . . 547 . . . 6344 1 598 . 1 1 60 60 ILE HD11 H 1 0.81 0.02 . 1 . . . . 548 . . . 6344 1 599 . 1 1 60 60 ILE HD12 H 1 0.81 0.02 . 1 . . . . 548 . . . 6344 1 600 . 1 1 60 60 ILE HD13 H 1 0.81 0.02 . 1 . . . . 548 . . . 6344 1 601 . 1 1 60 60 ILE C C 13 175.7 0.2 . 1 . . . . 549 . . . 6344 1 602 . 1 1 60 60 ILE CA C 13 59.4 0.2 . 1 . . . . 550 . . . 6344 1 603 . 1 1 60 60 ILE CB C 13 41.7 0.2 . 1 . . . . 551 . . . 6344 1 604 . 1 1 60 60 ILE CG1 C 13 28.6 0.2 . 1 . . . . 552 . . . 6344 1 605 . 1 1 60 60 ILE CG2 C 13 18.9 0.2 . 1 . . . . 553 . . . 6344 1 606 . 1 1 60 60 ILE CD1 C 13 14.4 0.2 . 1 . . . . 554 . . . 6344 1 607 . 1 1 60 60 ILE N N 15 119.7 0.2 . 1 . . . . 555 . . . 6344 1 608 . 1 1 61 61 ILE H H 1 9.42 0.02 . 1 . . . . 556 . . . 6344 1 609 . 1 1 61 61 ILE HA H 1 4.63 0.02 . 1 . . . . 557 . . . 6344 1 610 . 1 1 61 61 ILE HB H 1 1.58 0.02 . 1 . . . . 558 . . . 6344 1 611 . 1 1 61 61 ILE HG12 H 1 1.06 0.02 . 2 . . . . 559 . . . 6344 1 612 . 1 1 61 61 ILE HG13 H 1 1.81 0.02 . 2 . . . . 560 . . . 6344 1 613 . 1 1 61 61 ILE HG21 H 1 0.24 0.02 . 1 . . . . 561 . . . 6344 1 614 . 1 1 61 61 ILE HG22 H 1 0.24 0.02 . 1 . . . . 561 . . . 6344 1 615 . 1 1 61 61 ILE HG23 H 1 0.24 0.02 . 1 . . . . 561 . . . 6344 1 616 . 1 1 61 61 ILE HD11 H 1 0.80 0.02 . 1 . . . . 562 . . . 6344 1 617 . 1 1 61 61 ILE HD12 H 1 0.80 0.02 . 1 . . . . 562 . . . 6344 1 618 . 1 1 61 61 ILE HD13 H 1 0.80 0.02 . 1 . . . . 562 . . . 6344 1 619 . 1 1 61 61 ILE C C 13 174.0 0.2 . 1 . . . . 563 . . . 6344 1 620 . 1 1 61 61 ILE CA C 13 60.6 0.2 . 1 . . . . 564 . . . 6344 1 621 . 1 1 61 61 ILE CB C 13 40.1 0.2 . 1 . . . . 565 . . . 6344 1 622 . 1 1 61 61 ILE CG1 C 13 28.6 0.2 . 1 . . . . 566 . . . 6344 1 623 . 1 1 61 61 ILE CG2 C 13 15.8 0.2 . 1 . . . . 567 . . . 6344 1 624 . 1 1 61 61 ILE CD1 C 13 13.8 0.2 . 1 . . . . 568 . . . 6344 1 625 . 1 1 61 61 ILE N N 15 125.5 0.2 . 1 . . . . 569 . . . 6344 1 626 . 1 1 62 62 CYS H H 1 9.38 0.02 . 1 . . . . 570 . . . 6344 1 627 . 1 1 62 62 CYS HA H 1 4.35 0.02 . 1 . . . . 571 . . . 6344 1 628 . 1 1 62 62 CYS HB2 H 1 2.60 0.02 . 1 . . . . 572 . . . 6344 1 629 . 1 1 62 62 CYS HB3 H 1 2.60 0.02 . 1 . . . . 573 . . . 6344 1 630 . 1 1 62 62 CYS C C 13 174.5 0.2 . 1 . . . . 574 . . . 6344 1 631 . 1 1 62 62 CYS CA C 13 56.2 0.2 . 1 . . . . 575 . . . 6344 1 632 . 1 1 62 62 CYS CB C 13 29.6 0.2 . 1 . . . . 576 . . . 6344 1 633 . 1 1 62 62 CYS N N 15 127.7 0.2 . 1 . . . . 577 . . . 6344 1 634 . 1 1 63 63 PHE H H 1 7.37 0.02 . 1 . . . . 578 . . . 6344 1 635 . 1 1 63 63 PHE HA H 1 4.81 0.02 . 1 . . . . 579 . . . 6344 1 636 . 1 1 63 63 PHE HB2 H 1 3.08 0.02 . 1 . . . . 580 . . . 6344 1 637 . 1 1 63 63 PHE HB3 H 1 3.08 0.02 . 1 . . . . 581 . . . 6344 1 638 . 1 1 63 63 PHE HD1 H 1 7.08 0.02 . 1 . . . . 582 . . . 6344 1 639 . 1 1 63 63 PHE HD2 H 1 7.08 0.02 . 1 . . . . 583 . . . 6344 1 640 . 1 1 63 63 PHE HE1 H 1 6.87 0.02 . 1 . . . . 584 . . . 6344 1 641 . 1 1 63 63 PHE HE2 H 1 6.87 0.02 . 1 . . . . 585 . . . 6344 1 642 . 1 1 63 63 PHE HZ H 1 7.04 0.02 . 1 . . . . 586 . . . 6344 1 643 . 1 1 63 63 PHE C C 13 175.6 0.2 . 1 . . . . 587 . . . 6344 1 644 . 1 1 63 63 PHE CA C 13 60.4 0.2 . 1 . . . . 588 . . . 6344 1 645 . 1 1 63 63 PHE CB C 13 39.8 0.2 . 1 . . . . 589 . . . 6344 1 646 . 1 1 63 63 PHE CD1 C 13 132.1 0.2 . 1 . . . . 590 . . . 6344 1 647 . 1 1 63 63 PHE CD2 C 13 132.1 0.2 . 1 . . . . 591 . . . 6344 1 648 . 1 1 63 63 PHE CE1 C 13 127.9 0.2 . 1 . . . . 592 . . . 6344 1 649 . 1 1 63 63 PHE CE2 C 13 127.9 0.2 . 1 . . . . 593 . . . 6344 1 650 . 1 1 63 63 PHE CZ C 13 130.7 0.2 . 3 . . . . 594 . . . 6344 1 651 . 1 1 63 63 PHE N N 15 124.3 0.2 . 1 . . . . 595 . . . 6344 1 652 . 1 1 64 64 HIS H H 1 8.65 0.02 . 1 . . . . 596 . . . 6344 1 653 . 1 1 64 64 HIS HA H 1 3.95 0.02 . 1 . . . . 597 . . . 6344 1 654 . 1 1 64 64 HIS HB2 H 1 3.49 0.02 . 2 . . . . 598 . . . 6344 1 655 . 1 1 64 64 HIS HB3 H 1 3.66 0.02 . 2 . . . . 599 . . . 6344 1 656 . 1 1 64 64 HIS HD2 H 1 7.53 0.02 . 1 . . . . 600 . . . 6344 1 657 . 1 1 64 64 HIS HE1 H 1 7.37 0.02 . 1 . . . . 601 . . . 6344 1 658 . 1 1 64 64 HIS C C 13 172.6 0.2 . 1 . . . . 602 . . . 6344 1 659 . 1 1 64 64 HIS CA C 13 58.1 0.2 . 1 . . . . 603 . . . 6344 1 660 . 1 1 64 64 HIS CB C 13 25.5 0.2 . 1 . . . . 604 . . . 6344 1 661 . 1 1 64 64 HIS CD2 C 13 120.6 0.2 . 1 . . . . 605 . . . 6344 1 662 . 1 1 64 64 HIS CE1 C 13 138.3 0.2 . 1 . . . . 606 . . . 6344 1 663 . 1 1 64 64 HIS N N 15 113.5 0.2 . 1 . . . . 607 . . . 6344 1 664 . 1 1 65 65 LYS H H 1 7.81 0.02 . 1 . . . . 608 . . . 6344 1 665 . 1 1 65 65 LYS HA H 1 4.45 0.02 . 1 . . . . 609 . . . 6344 1 666 . 1 1 65 65 LYS HB2 H 1 1.67 0.02 . 2 . . . . 610 . . . 6344 1 667 . 1 1 65 65 LYS HB3 H 1 2.33 0.02 . 2 . . . . 611 . . . 6344 1 668 . 1 1 65 65 LYS HG2 H 1 1.27 0.02 . 2 . . . . 612 . . . 6344 1 669 . 1 1 65 65 LYS HG3 H 1 1.45 0.02 . 2 . . . . 613 . . . 6344 1 670 . 1 1 65 65 LYS HD2 H 1 1.70 0.02 . 1 . . . . 614 . . . 6344 1 671 . 1 1 65 65 LYS HD3 H 1 1.70 0.02 . 1 . . . . 615 . . . 6344 1 672 . 1 1 65 65 LYS HE2 H 1 3.13 0.02 . 1 . . . . 616 . . . 6344 1 673 . 1 1 65 65 LYS HE3 H 1 3.13 0.02 . 1 . . . . 617 . . . 6344 1 674 . 1 1 65 65 LYS C C 13 172.3 0.2 . 1 . . . . 618 . . . 6344 1 675 . 1 1 65 65 LYS CA C 13 55.4 0.2 . 1 . . . . 619 . . . 6344 1 676 . 1 1 65 65 LYS CB C 13 33.9 0.2 . 1 . . . . 620 . . . 6344 1 677 . 1 1 65 65 LYS CG C 13 22.3 0.2 . 1 . . . . 621 . . . 6344 1 678 . 1 1 65 65 LYS CD C 13 29.5 0.2 . 1 . . . . 622 . . . 6344 1 679 . 1 1 65 65 LYS CE C 13 41.6 0.2 . 1 . . . . 623 . . . 6344 1 680 . 1 1 65 65 LYS N N 15 112.7 0.2 . 1 . . . . 624 . . . 6344 1 681 . 1 1 66 66 HIS H H 1 8.53 0.02 . 1 . . . . 625 . . . 6344 1 682 . 1 1 66 66 HIS HA H 1 4.90 0.02 . 1 . . . . 626 . . . 6344 1 683 . 1 1 66 66 HIS HB2 H 1 2.87 0.02 . 2 . . . . 627 . . . 6344 1 684 . 1 1 66 66 HIS HB3 H 1 3.21 0.02 . 2 . . . . 628 . . . 6344 1 685 . 1 1 66 66 HIS C C 13 175.1 0.2 . 1 . . . . 629 . . . 6344 1 686 . 1 1 66 66 HIS CA C 13 54.8 0.2 . 1 . . . . 630 . . . 6344 1 687 . 1 1 66 66 HIS CB C 13 30.8 0.2 . 1 . . . . 631 . . . 6344 1 688 . 1 1 66 66 HIS N N 15 118.7 0.2 . 1 . . . . 632 . . . 6344 1 689 . 1 1 67 67 VAL H H 1 8.89 0.02 . 1 . . . . 633 . . . 6344 1 690 . 1 1 67 67 VAL HA H 1 5.00 0.02 . 1 . . . . 634 . . . 6344 1 691 . 1 1 67 67 VAL HB H 1 1.80 0.02 . 1 . . . . 635 . . . 6344 1 692 . 1 1 67 67 VAL HG11 H 1 0.52 0.02 . 1 . . . . 636 . . . 6344 1 693 . 1 1 67 67 VAL HG12 H 1 0.52 0.02 . 1 . . . . 636 . . . 6344 1 694 . 1 1 67 67 VAL HG13 H 1 0.52 0.02 . 1 . . . . 636 . . . 6344 1 695 . 1 1 67 67 VAL HG21 H 1 -0.13 0.02 . 1 . . . . 637 . . . 6344 1 696 . 1 1 67 67 VAL HG22 H 1 -0.13 0.02 . 1 . . . . 637 . . . 6344 1 697 . 1 1 67 67 VAL HG23 H 1 -0.13 0.02 . 1 . . . . 637 . . . 6344 1 698 . 1 1 67 67 VAL C C 13 173.7 0.2 . 1 . . . . 638 . . . 6344 1 699 . 1 1 67 67 VAL CA C 13 59.1 0.2 . 1 . . . . 639 . . . 6344 1 700 . 1 1 67 67 VAL CB C 13 34.0 0.2 . 1 . . . . 640 . . . 6344 1 701 . 1 1 67 67 VAL CG1 C 13 22.0 0.2 . 1 . . . . 641 . . . 6344 1 702 . 1 1 67 67 VAL CG2 C 13 17.2 0.2 . 1 . . . . 642 . . . 6344 1 703 . 1 1 67 67 VAL N N 15 119.5 0.2 . 1 . . . . 643 . . . 6344 1 704 . 1 1 68 68 ARG H H 1 9.15 0.02 . 1 . . . . 644 . . . 6344 1 705 . 1 1 68 68 ARG HA H 1 4.68 0.02 . 1 . . . . 645 . . . 6344 1 706 . 1 1 68 68 ARG HB2 H 1 1.46 0.02 . 2 . . . . 646 . . . 6344 1 707 . 1 1 68 68 ARG HB3 H 1 1.81 0.02 . 2 . . . . 647 . . . 6344 1 708 . 1 1 68 68 ARG HG2 H 1 1.37 0.02 . 2 . . . . 648 . . . 6344 1 709 . 1 1 68 68 ARG HG3 H 1 1.45 0.02 . 2 . . . . 649 . . . 6344 1 710 . 1 1 68 68 ARG HD2 H 1 3.09 0.02 . 1 . . . . 650 . . . 6344 1 711 . 1 1 68 68 ARG HD3 H 1 3.09 0.02 . 1 . . . . 651 . . . 6344 1 712 . 1 1 68 68 ARG C C 13 174.9 0.2 . 1 . . . . 652 . . . 6344 1 713 . 1 1 68 68 ARG CA C 13 55.4 0.2 . 1 . . . . 653 . . . 6344 1 714 . 1 1 68 68 ARG CB C 13 30.8 0.2 . 1 . . . . 654 . . . 6344 1 715 . 1 1 68 68 ARG CG C 13 27.4 0.2 . 1 . . . . 655 . . . 6344 1 716 . 1 1 68 68 ARG CD C 13 43.4 0.2 . 1 . . . . 656 . . . 6344 1 717 . 1 1 68 68 ARG N N 15 122.8 0.2 . 1 . . . . 657 . . . 6344 1 718 . 1 1 69 69 ILE H H 1 9.00 0.02 . 1 . . . . 658 . . . 6344 1 719 . 1 1 69 69 ILE HA H 1 4.09 0.02 . 1 . . . . 659 . . . 6344 1 720 . 1 1 69 69 ILE HB H 1 1.90 0.02 . 1 . . . . 660 . . . 6344 1 721 . 1 1 69 69 ILE HG12 H 1 0.80 0.02 . 2 . . . . 661 . . . 6344 1 722 . 1 1 69 69 ILE HG13 H 1 1.50 0.02 . 2 . . . . 662 . . . 6344 1 723 . 1 1 69 69 ILE HG21 H 1 1.22 0.02 . 1 . . . . 663 . . . 6344 1 724 . 1 1 69 69 ILE HG22 H 1 1.22 0.02 . 1 . . . . 663 . . . 6344 1 725 . 1 1 69 69 ILE HG23 H 1 1.22 0.02 . 1 . . . . 663 . . . 6344 1 726 . 1 1 69 69 ILE HD11 H 1 0.80 0.02 . 1 . . . . 664 . . . 6344 1 727 . 1 1 69 69 ILE HD12 H 1 0.80 0.02 . 1 . . . . 664 . . . 6344 1 728 . 1 1 69 69 ILE HD13 H 1 0.80 0.02 . 1 . . . . 664 . . . 6344 1 729 . 1 1 69 69 ILE C C 13 175.4 0.2 . 1 . . . . 665 . . . 6344 1 730 . 1 1 69 69 ILE CA C 13 61.9 0.2 . 1 . . . . 666 . . . 6344 1 731 . 1 1 69 69 ILE CB C 13 40.4 0.2 . 1 . . . . 667 . . . 6344 1 732 . 1 1 69 69 ILE CG1 C 13 29.2 0.2 . 1 . . . . 668 . . . 6344 1 733 . 1 1 69 69 ILE CG2 C 13 18.7 0.2 . 1 . . . . 669 . . . 6344 1 734 . 1 1 69 69 ILE CD1 C 13 14.8 0.2 . 1 . . . . 670 . . . 6344 1 735 . 1 1 69 69 ILE N N 15 127.2 0.2 . 1 . . . . 671 . . . 6344 1 736 . 1 1 70 70 GLU H H 1 9.29 0.02 . 1 . . . . 672 . . . 6344 1 737 . 1 1 70 70 GLU HA H 1 4.80 0.02 . 1 . . . . 673 . . . 6344 1 738 . 1 1 70 70 GLU HB2 H 1 1.78 0.02 . 2 . . . . 674 . . . 6344 1 739 . 1 1 70 70 GLU HB3 H 1 2.16 0.02 . 2 . . . . 675 . . . 6344 1 740 . 1 1 70 70 GLU HG2 H 1 2.28 0.02 . 1 . . . . 676 . . . 6344 1 741 . 1 1 70 70 GLU HG3 H 1 2.28 0.02 . 1 . . . . 677 . . . 6344 1 742 . 1 1 70 70 GLU C C 13 176.4 0.2 . 1 . . . . 678 . . . 6344 1 743 . 1 1 70 70 GLU CA C 13 56.4 0.2 . 1 . . . . 679 . . . 6344 1 744 . 1 1 70 70 GLU CB C 13 32.3 0.2 . 1 . . . . 680 . . . 6344 1 745 . 1 1 70 70 GLU CG C 13 35.8 0.2 . 1 . . . . 681 . . . 6344 1 746 . 1 1 70 70 GLU N N 15 121.7 0.2 . 1 . . . . 682 . . . 6344 1 747 . 1 1 71 71 ARG H H 1 7.64 0.02 . 1 . . . . 683 . . . 6344 1 748 . 1 1 71 71 ARG HA H 1 5.03 0.02 . 1 . . . . 684 . . . 6344 1 749 . 1 1 71 71 ARG HB2 H 1 1.84 0.02 . 1 . . . . 685 . . . 6344 1 750 . 1 1 71 71 ARG HB3 H 1 1.84 0.02 . 1 . . . . 686 . . . 6344 1 751 . 1 1 71 71 ARG HG2 H 1 1.47 0.02 . 1 . . . . 687 . . . 6344 1 752 . 1 1 71 71 ARG HG3 H 1 1.47 0.02 . 1 . . . . 688 . . . 6344 1 753 . 1 1 71 71 ARG HD2 H 1 3.16 0.02 . 1 . . . . 689 . . . 6344 1 754 . 1 1 71 71 ARG HD3 H 1 3.16 0.02 . 1 . . . . 690 . . . 6344 1 755 . 1 1 71 71 ARG HE H 1 7.47 0.02 . 1 . . . . 691 . . . 6344 1 756 . 1 1 71 71 ARG C C 13 173.7 0.2 . 1 . . . . 692 . . . 6344 1 757 . 1 1 71 71 ARG CA C 13 56.2 0.2 . 1 . . . . 693 . . . 6344 1 758 . 1 1 71 71 ARG CB C 13 34.6 0.2 . 1 . . . . 694 . . . 6344 1 759 . 1 1 71 71 ARG CG C 13 27.8 0.2 . 1 . . . . 695 . . . 6344 1 760 . 1 1 71 71 ARG CD C 13 43.4 0.2 . 1 . . . . 696 . . . 6344 1 761 . 1 1 71 71 ARG N N 15 117.2 0.2 . 1 . . . . 697 . . . 6344 1 762 . 1 1 71 71 ARG NE N 15 83.9 0.2 . 1 . . . . 698 . . . 6344 1 763 . 1 1 72 72 LEU H H 1 9.18 0.02 . 1 . . . . 699 . . . 6344 1 764 . 1 1 72 72 LEU HA H 1 5.57 0.02 . 1 . . . . 700 . . . 6344 1 765 . 1 1 72 72 LEU HB2 H 1 1.54 0.02 . 2 . . . . 701 . . . 6344 1 766 . 1 1 72 72 LEU HB3 H 1 1.63 0.02 . 2 . . . . 702 . . . 6344 1 767 . 1 1 72 72 LEU HG H 1 1.74 0.02 . 1 . . . . 703 . . . 6344 1 768 . 1 1 72 72 LEU HD11 H 1 0.82 0.02 . 1 . . . . 704 . . . 6344 1 769 . 1 1 72 72 LEU HD12 H 1 0.82 0.02 . 1 . . . . 704 . . . 6344 1 770 . 1 1 72 72 LEU HD13 H 1 0.82 0.02 . 1 . . . . 704 . . . 6344 1 771 . 1 1 72 72 LEU HD21 H 1 1.10 0.02 . 1 . . . . 705 . . . 6344 1 772 . 1 1 72 72 LEU HD22 H 1 1.10 0.02 . 1 . . . . 705 . . . 6344 1 773 . 1 1 72 72 LEU HD23 H 1 1.10 0.02 . 1 . . . . 705 . . . 6344 1 774 . 1 1 72 72 LEU C C 13 175.3 0.2 . 1 . . . . 706 . . . 6344 1 775 . 1 1 72 72 LEU CA C 13 53.8 0.2 . 1 . . . . 707 . . . 6344 1 776 . 1 1 72 72 LEU CB C 13 47.1 0.2 . 1 . . . . 708 . . . 6344 1 777 . 1 1 72 72 LEU CG C 13 27.4 0.2 . 1 . . . . 709 . . . 6344 1 778 . 1 1 72 72 LEU CD1 C 13 27.0 0.2 . 1 . . . . 710 . . . 6344 1 779 . 1 1 72 72 LEU CD2 C 13 25.7 0.2 . 1 . . . . 711 . . . 6344 1 780 . 1 1 72 72 LEU N N 15 124.2 0.2 . 1 . . . . 712 . . . 6344 1 781 . 1 1 73 73 VAL H H 1 8.85 0.02 . 1 . . . . 713 . . . 6344 1 782 . 1 1 73 73 VAL HA H 1 5.08 0.02 . 1 . . . . 714 . . . 6344 1 783 . 1 1 73 73 VAL HB H 1 1.84 0.02 . 1 . . . . 715 . . . 6344 1 784 . 1 1 73 73 VAL HG11 H 1 0.86 0.02 . 1 . . . . 716 . . . 6344 1 785 . 1 1 73 73 VAL HG12 H 1 0.86 0.02 . 1 . . . . 716 . . . 6344 1 786 . 1 1 73 73 VAL HG13 H 1 0.86 0.02 . 1 . . . . 716 . . . 6344 1 787 . 1 1 73 73 VAL HG21 H 1 0.86 0.02 . 1 . . . . 717 . . . 6344 1 788 . 1 1 73 73 VAL HG22 H 1 0.86 0.02 . 1 . . . . 717 . . . 6344 1 789 . 1 1 73 73 VAL HG23 H 1 0.86 0.02 . 1 . . . . 717 . . . 6344 1 790 . 1 1 73 73 VAL C C 13 175.3 0.2 . 1 . . . . 718 . . . 6344 1 791 . 1 1 73 73 VAL CA C 13 61.7 0.2 . 1 . . . . 719 . . . 6344 1 792 . 1 1 73 73 VAL CB C 13 35.3 0.2 . 1 . . . . 720 . . . 6344 1 793 . 1 1 73 73 VAL CG1 C 13 21.1 0.2 . 1 . . . . 721 . . . 6344 1 794 . 1 1 73 73 VAL CG2 C 13 21.1 0.2 . 1 . . . . 722 . . . 6344 1 795 . 1 1 73 73 VAL N N 15 121.0 0.2 . 1 . . . . 723 . . . 6344 1 796 . 1 1 74 74 ILE H H 1 9.08 0.02 . 1 . . . . 724 . . . 6344 1 797 . 1 1 74 74 ILE HA H 1 4.97 0.02 . 1 . . . . 725 . . . 6344 1 798 . 1 1 74 74 ILE HB H 1 1.83 0.02 . 1 . . . . 726 . . . 6344 1 799 . 1 1 74 74 ILE HG12 H 1 1.35 0.02 . 2 . . . . 727 . . . 6344 1 800 . 1 1 74 74 ILE HG13 H 1 1.72 0.02 . 2 . . . . 728 . . . 6344 1 801 . 1 1 74 74 ILE HG21 H 1 1.05 0.02 . 1 . . . . 729 . . . 6344 1 802 . 1 1 74 74 ILE HG22 H 1 1.05 0.02 . 1 . . . . 729 . . . 6344 1 803 . 1 1 74 74 ILE HG23 H 1 1.05 0.02 . 1 . . . . 729 . . . 6344 1 804 . 1 1 74 74 ILE HD11 H 1 0.99 0.02 . 1 . . . . 730 . . . 6344 1 805 . 1 1 74 74 ILE HD12 H 1 0.99 0.02 . 1 . . . . 730 . . . 6344 1 806 . 1 1 74 74 ILE HD13 H 1 0.99 0.02 . 1 . . . . 730 . . . 6344 1 807 . 1 1 74 74 ILE C C 13 173.9 0.2 . 1 . . . . 731 . . . 6344 1 808 . 1 1 74 74 ILE CA C 13 59.6 0.2 . 1 . . . . 732 . . . 6344 1 809 . 1 1 74 74 ILE CB C 13 41.8 0.2 . 1 . . . . 733 . . . 6344 1 810 . 1 1 74 74 ILE CG1 C 13 28.9 0.2 . 1 . . . . 734 . . . 6344 1 811 . 1 1 74 74 ILE CG2 C 13 16.8 0.2 . 1 . . . . 735 . . . 6344 1 812 . 1 1 74 74 ILE CD1 C 13 14.8 0.2 . 1 . . . . 736 . . . 6344 1 813 . 1 1 74 74 ILE N N 15 127.8 0.2 . 1 . . . . 737 . . . 6344 1 814 . 1 1 75 75 GLN H H 1 8.83 0.02 . 1 . . . . 738 . . . 6344 1 815 . 1 1 75 75 GLN HA H 1 6.02 0.02 . 1 . . . . 739 . . . 6344 1 816 . 1 1 75 75 GLN HB2 H 1 2.07 0.02 . 2 . . . . 740 . . . 6344 1 817 . 1 1 75 75 GLN HB3 H 1 2.13 0.02 . 2 . . . . 741 . . . 6344 1 818 . 1 1 75 75 GLN HG2 H 1 2.30 0.02 . 1 . . . . 742 . . . 6344 1 819 . 1 1 75 75 GLN HG3 H 1 2.30 0.02 . 1 . . . . 743 . . . 6344 1 820 . 1 1 75 75 GLN CA C 13 54.5 0.2 . 1 . . . . 744 . . . 6344 1 821 . 1 1 75 75 GLN CB C 13 31.3 0.2 . 1 . . . . 745 . . . 6344 1 822 . 1 1 75 75 GLN CG C 13 34.5 0.2 . 1 . . . . 746 . . . 6344 1 823 . 1 1 75 75 GLN N N 15 124.5 0.2 . 1 . . . . 747 . . . 6344 1 824 . 1 1 76 76 SER HA H 1 4.75 0.02 . 1 . . . . 748 . . . 6344 1 825 . 1 1 76 76 SER HB2 H 1 3.82 0.02 . 1 . . . . 749 . . . 6344 1 826 . 1 1 76 76 SER HB3 H 1 3.82 0.02 . 1 . . . . 750 . . . 6344 1 827 . 1 1 76 76 SER CA C 13 55.5 0.2 . 1 . . . . 751 . . . 6344 1 828 . 1 1 76 76 SER CB C 13 67.9 0.2 . 1 . . . . 752 . . . 6344 1 829 . 1 1 77 77 TYR H H 1 9.47 0.02 . 1 . . . . 753 . . . 6344 1 830 . 1 1 77 77 TYR HA H 1 4.65 0.02 . 1 . . . . 754 . . . 6344 1 831 . 1 1 77 77 TYR HB2 H 1 2.42 0.02 . 2 . . . . 755 . . . 6344 1 832 . 1 1 77 77 TYR HB3 H 1 2.67 0.02 . 2 . . . . 756 . . . 6344 1 833 . 1 1 77 77 TYR HD1 H 1 6.76 0.02 . 1 . . . . 757 . . . 6344 1 834 . 1 1 77 77 TYR HD2 H 1 6.76 0.02 . 1 . . . . 758 . . . 6344 1 835 . 1 1 77 77 TYR HE1 H 1 6.36 0.02 . 1 . . . . 759 . . . 6344 1 836 . 1 1 77 77 TYR HE2 H 1 6.36 0.02 . 1 . . . . 760 . . . 6344 1 837 . 1 1 77 77 TYR C C 13 175.1 0.2 . 1 . . . . 761 . . . 6344 1 838 . 1 1 77 77 TYR CA C 13 60.2 0.2 . 1 . . . . 762 . . . 6344 1 839 . 1 1 77 77 TYR CB C 13 42.7 0.2 . 1 . . . . 763 . . . 6344 1 840 . 1 1 77 77 TYR CD1 C 13 132.4 0.2 . 1 . . . . 764 . . . 6344 1 841 . 1 1 77 77 TYR CD2 C 13 132.4 0.2 . 1 . . . . 765 . . . 6344 1 842 . 1 1 77 77 TYR CE1 C 13 118.0 0.2 . 1 . . . . 766 . . . 6344 1 843 . 1 1 77 77 TYR CE2 C 13 118.0 0.2 . 1 . . . . 767 . . . 6344 1 844 . 1 1 77 77 TYR N N 15 119.4 0.2 . 1 . . . . 768 . . . 6344 1 845 . 1 1 78 78 PHE H H 1 8.78 0.02 . 1 . . . . 769 . . . 6344 1 846 . 1 1 78 78 PHE HA H 1 3.99 0.02 . 1 . . . . 770 . . . 6344 1 847 . 1 1 78 78 PHE HB2 H 1 3.36 0.02 . 2 . . . . 771 . . . 6344 1 848 . 1 1 78 78 PHE HB3 H 1 3.78 0.02 . 2 . . . . 772 . . . 6344 1 849 . 1 1 78 78 PHE HD1 H 1 6.45 0.02 . 1 . . . . 773 . . . 6344 1 850 . 1 1 78 78 PHE HD2 H 1 6.45 0.02 . 1 . . . . 774 . . . 6344 1 851 . 1 1 78 78 PHE HE1 H 1 7.06 0.02 . 1 . . . . 775 . . . 6344 1 852 . 1 1 78 78 PHE HE2 H 1 7.06 0.02 . 1 . . . . 776 . . . 6344 1 853 . 1 1 78 78 PHE HZ H 1 7.27 0.02 . 1 . . . . 777 . . . 6344 1 854 . 1 1 78 78 PHE C C 13 175.3 0.2 . 1 . . . . 778 . . . 6344 1 855 . 1 1 78 78 PHE CA C 13 58.0 0.2 . 1 . . . . 779 . . . 6344 1 856 . 1 1 78 78 PHE CB C 13 36.2 0.2 . 1 . . . . 780 . . . 6344 1 857 . 1 1 78 78 PHE CD1 C 13 129.8 0.2 . 1 . . . . 781 . . . 6344 1 858 . 1 1 78 78 PHE CD2 C 13 129.8 0.2 . 1 . . . . 782 . . . 6344 1 859 . 1 1 78 78 PHE CE1 C 13 131.4 0.2 . 1 . . . . 783 . . . 6344 1 860 . 1 1 78 78 PHE CE2 C 13 131.4 0.2 . 1 . . . . 784 . . . 6344 1 861 . 1 1 78 78 PHE CZ C 13 129.7 0.2 . 3 . . . . 785 . . . 6344 1 862 . 1 1 78 78 PHE N N 15 114.9 0.2 . 1 . . . . 786 . . . 6344 1 863 . 1 1 79 79 VAL H H 1 8.88 0.02 . 1 . . . . 787 . . . 6344 1 864 . 1 1 79 79 VAL HA H 1 3.49 0.02 . 1 . . . . 788 . . . 6344 1 865 . 1 1 79 79 VAL HB H 1 2.51 0.02 . 1 . . . . 789 . . . 6344 1 866 . 1 1 79 79 VAL HG11 H 1 0.94 0.02 . 1 . . . . 790 . . . 6344 1 867 . 1 1 79 79 VAL HG12 H 1 0.94 0.02 . 1 . . . . 790 . . . 6344 1 868 . 1 1 79 79 VAL HG13 H 1 0.94 0.02 . 1 . . . . 790 . . . 6344 1 869 . 1 1 79 79 VAL HG21 H 1 1.18 0.02 . 1 . . . . 791 . . . 6344 1 870 . 1 1 79 79 VAL HG22 H 1 1.18 0.02 . 1 . . . . 791 . . . 6344 1 871 . 1 1 79 79 VAL HG23 H 1 1.18 0.02 . 1 . . . . 791 . . . 6344 1 872 . 1 1 79 79 VAL C C 13 174.1 0.2 . 1 . . . . 792 . . . 6344 1 873 . 1 1 79 79 VAL CA C 13 65.8 0.2 . 1 . . . . 793 . . . 6344 1 874 . 1 1 79 79 VAL CB C 13 31.8 0.2 . 1 . . . . 794 . . . 6344 1 875 . 1 1 79 79 VAL CG1 C 13 22.5 0.2 . 1 . . . . 795 . . . 6344 1 876 . 1 1 79 79 VAL CG2 C 13 23.6 0.2 . 1 . . . . 796 . . . 6344 1 877 . 1 1 79 79 VAL N N 15 123.3 0.2 . 1 . . . . 797 . . . 6344 1 878 . 1 1 80 80 GLN H H 1 7.97 0.02 . 1 . . . . 798 . . . 6344 1 879 . 1 1 80 80 GLN HA H 1 4.57 0.02 . 1 . . . . 799 . . . 6344 1 880 . 1 1 80 80 GLN HB2 H 1 -0.14 0.02 . 2 . . . . 800 . . . 6344 1 881 . 1 1 80 80 GLN HB3 H 1 1.33 0.02 . 2 . . . . 801 . . . 6344 1 882 . 1 1 80 80 GLN HG2 H 1 1.65 0.02 . 2 . . . . 802 . . . 6344 1 883 . 1 1 80 80 GLN HG3 H 1 1.93 0.02 . 2 . . . . 803 . . . 6344 1 884 . 1 1 80 80 GLN HE21 H 1 6.57 0.02 . 1 . . . . 804 . . . 6344 1 885 . 1 1 80 80 GLN HE22 H 1 6.49 0.02 . 1 . . . . 805 . . . 6344 1 886 . 1 1 80 80 GLN C C 13 173.5 0.2 . 1 . . . . 806 . . . 6344 1 887 . 1 1 80 80 GLN CA C 13 56.6 0.2 . 1 . . . . 807 . . . 6344 1 888 . 1 1 80 80 GLN CB C 13 27.9 0.2 . 1 . . . . 808 . . . 6344 1 889 . 1 1 80 80 GLN CG C 13 33.5 0.2 . 1 . . . . 809 . . . 6344 1 890 . 1 1 80 80 GLN CD C 13 179.6 0.2 . 1 . . . . 810 . . . 6344 1 891 . 1 1 80 80 GLN N N 15 126.9 0.2 . 1 . . . . 811 . . . 6344 1 892 . 1 1 80 80 GLN NE2 N 15 110.2 0.2 . 1 . . . . 812 . . . 6344 1 893 . 1 1 81 81 THR H H 1 7.17 0.02 . 1 . . . . 813 . . . 6344 1 894 . 1 1 81 81 THR HA H 1 4.94 0.02 . 1 . . . . 814 . . . 6344 1 895 . 1 1 81 81 THR HB H 1 3.66 0.02 . 1 . . . . 815 . . . 6344 1 896 . 1 1 81 81 THR HG21 H 1 1.12 0.02 . 1 . . . . 816 . . . 6344 1 897 . 1 1 81 81 THR HG22 H 1 1.12 0.02 . 1 . . . . 816 . . . 6344 1 898 . 1 1 81 81 THR HG23 H 1 1.12 0.02 . 1 . . . . 816 . . . 6344 1 899 . 1 1 81 81 THR C C 13 172.1 0.2 . 1 . . . . 817 . . . 6344 1 900 . 1 1 81 81 THR CA C 13 63.3 0.2 . 1 . . . . 818 . . . 6344 1 901 . 1 1 81 81 THR CB C 13 70.6 0.2 . 1 . . . . 819 . . . 6344 1 902 . 1 1 81 81 THR CG2 C 13 21.6 0.2 . 1 . . . . 820 . . . 6344 1 903 . 1 1 81 81 THR N N 15 116.2 0.2 . 1 . . . . 821 . . . 6344 1 904 . 1 1 82 82 LEU H H 1 9.16 0.02 . 1 . . . . 822 . . . 6344 1 905 . 1 1 82 82 LEU HA H 1 5.35 0.02 . 1 . . . . 823 . . . 6344 1 906 . 1 1 82 82 LEU HB2 H 1 1.21 0.02 . 2 . . . . 824 . . . 6344 1 907 . 1 1 82 82 LEU HB3 H 1 1.80 0.02 . 2 . . . . 825 . . . 6344 1 908 . 1 1 82 82 LEU HG H 1 1.43 0.02 . 1 . . . . 826 . . . 6344 1 909 . 1 1 82 82 LEU HD11 H 1 0.97 0.02 . 1 . . . . 827 . . . 6344 1 910 . 1 1 82 82 LEU HD12 H 1 0.97 0.02 . 1 . . . . 827 . . . 6344 1 911 . 1 1 82 82 LEU HD13 H 1 0.97 0.02 . 1 . . . . 827 . . . 6344 1 912 . 1 1 82 82 LEU HD21 H 1 0.90 0.02 . 1 . . . . 828 . . . 6344 1 913 . 1 1 82 82 LEU HD22 H 1 0.90 0.02 . 1 . . . . 828 . . . 6344 1 914 . 1 1 82 82 LEU HD23 H 1 0.90 0.02 . 1 . . . . 828 . . . 6344 1 915 . 1 1 82 82 LEU C C 13 174.2 0.2 . 1 . . . . 829 . . . 6344 1 916 . 1 1 82 82 LEU CA C 13 52.8 0.2 . 1 . . . . 830 . . . 6344 1 917 . 1 1 82 82 LEU CB C 13 46.9 0.2 . 1 . . . . 831 . . . 6344 1 918 . 1 1 82 82 LEU CG C 13 27.2 0.2 . 1 . . . . 832 . . . 6344 1 919 . 1 1 82 82 LEU CD1 C 13 23.6 0.2 . 1 . . . . 833 . . . 6344 1 920 . 1 1 82 82 LEU CD2 C 13 27.1 0.2 . 1 . . . . 834 . . . 6344 1 921 . 1 1 82 82 LEU N N 15 130.1 0.2 . 1 . . . . 835 . . . 6344 1 922 . 1 1 83 83 LYS H H 1 9.40 0.02 . 1 . . . . 836 . . . 6344 1 923 . 1 1 83 83 LYS HA H 1 5.12 0.02 . 1 . . . . 837 . . . 6344 1 924 . 1 1 83 83 LYS HB2 H 1 1.68 0.02 . 2 . . . . 838 . . . 6344 1 925 . 1 1 83 83 LYS HB3 H 1 1.86 0.02 . 2 . . . . 839 . . . 6344 1 926 . 1 1 83 83 LYS HG2 H 1 1.35 0.02 . 2 . . . . 840 . . . 6344 1 927 . 1 1 83 83 LYS HG3 H 1 1.42 0.02 . 2 . . . . 841 . . . 6344 1 928 . 1 1 83 83 LYS HD2 H 1 1.73 0.02 . 2 . . . . 842 . . . 6344 1 929 . 1 1 83 83 LYS HD3 H 1 1.59 0.02 . 2 . . . . 843 . . . 6344 1 930 . 1 1 83 83 LYS HE2 H 1 2.87 0.02 . 1 . . . . 844 . . . 6344 1 931 . 1 1 83 83 LYS HE3 H 1 2.87 0.02 . 1 . . . . 845 . . . 6344 1 932 . 1 1 83 83 LYS C C 13 174.6 0.2 . 1 . . . . 846 . . . 6344 1 933 . 1 1 83 83 LYS CA C 13 54.9 0.2 . 1 . . . . 847 . . . 6344 1 934 . 1 1 83 83 LYS CB C 13 36.4 0.2 . 1 . . . . 848 . . . 6344 1 935 . 1 1 83 83 LYS CG C 13 26.0 0.2 . 1 . . . . 849 . . . 6344 1 936 . 1 1 83 83 LYS CD C 13 29.5 0.2 . 1 . . . . 850 . . . 6344 1 937 . 1 1 83 83 LYS CE C 13 41.9 0.2 . 1 . . . . 851 . . . 6344 1 938 . 1 1 83 83 LYS N N 15 125.1 0.2 . 1 . . . . 852 . . . 6344 1 939 . 1 1 84 84 ILE H H 1 9.05 0.02 . 1 . . . . 853 . . . 6344 1 940 . 1 1 84 84 ILE HA H 1 4.94 0.02 . 1 . . . . 854 . . . 6344 1 941 . 1 1 84 84 ILE HB H 1 1.48 0.02 . 1 . . . . 855 . . . 6344 1 942 . 1 1 84 84 ILE HG12 H 1 0.41 0.02 . 2 . . . . 856 . . . 6344 1 943 . 1 1 84 84 ILE HG13 H 1 1.18 0.02 . 2 . . . . 857 . . . 6344 1 944 . 1 1 84 84 ILE HG21 H 1 0.45 0.02 . 1 . . . . 858 . . . 6344 1 945 . 1 1 84 84 ILE HG22 H 1 0.45 0.02 . 1 . . . . 858 . . . 6344 1 946 . 1 1 84 84 ILE HG23 H 1 0.45 0.02 . 1 . . . . 858 . . . 6344 1 947 . 1 1 84 84 ILE HD11 H 1 0.55 0.02 . 1 . . . . 859 . . . 6344 1 948 . 1 1 84 84 ILE HD12 H 1 0.55 0.02 . 1 . . . . 859 . . . 6344 1 949 . 1 1 84 84 ILE HD13 H 1 0.55 0.02 . 1 . . . . 859 . . . 6344 1 950 . 1 1 84 84 ILE C C 13 175.5 0.2 . 1 . . . . 860 . . . 6344 1 951 . 1 1 84 84 ILE CA C 13 60.0 0.2 . 1 . . . . 861 . . . 6344 1 952 . 1 1 84 84 ILE CB C 13 40.3 0.2 . 1 . . . . 862 . . . 6344 1 953 . 1 1 84 84 ILE CG1 C 13 26.6 0.2 . 1 . . . . 863 . . . 6344 1 954 . 1 1 84 84 ILE CG2 C 13 17.7 0.2 . 1 . . . . 864 . . . 6344 1 955 . 1 1 84 84 ILE CD1 C 13 14.7 0.2 . 1 . . . . 865 . . . 6344 1 956 . 1 1 84 84 ILE N N 15 121.0 0.2 . 1 . . . . 866 . . . 6344 1 957 . 1 1 85 85 GLU H H 1 9.43 0.02 . 1 . . . . 867 . . . 6344 1 958 . 1 1 85 85 GLU HA H 1 5.27 0.02 . 1 . . . . 868 . . . 6344 1 959 . 1 1 85 85 GLU HB2 H 1 1.77 0.02 . 1 . . . . 869 . . . 6344 1 960 . 1 1 85 85 GLU HB3 H 1 1.77 0.02 . 1 . . . . 870 . . . 6344 1 961 . 1 1 85 85 GLU HG2 H 1 2.07 0.02 . 1 . . . . 871 . . . 6344 1 962 . 1 1 85 85 GLU HG3 H 1 2.07 0.02 . 1 . . . . 872 . . . 6344 1 963 . 1 1 85 85 GLU C C 13 175.9 0.2 . 1 . . . . 873 . . . 6344 1 964 . 1 1 85 85 GLU CA C 13 54.2 0.2 . 1 . . . . 874 . . . 6344 1 965 . 1 1 85 85 GLU CB C 13 34.0 0.2 . 1 . . . . 875 . . . 6344 1 966 . 1 1 85 85 GLU CG C 13 36.1 0.2 . 1 . . . . 876 . . . 6344 1 967 . 1 1 85 85 GLU N N 15 126.0 0.2 . 1 . . . . 877 . . . 6344 1 968 . 1 1 86 86 LYS H H 1 8.98 0.02 . 1 . . . . 878 . . . 6344 1 969 . 1 1 86 86 LYS HA H 1 5.68 0.02 . 1 . . . . 879 . . . 6344 1 970 . 1 1 86 86 LYS HB2 H 1 1.41 0.02 . 2 . . . . 880 . . . 6344 1 971 . 1 1 86 86 LYS HB3 H 1 1.55 0.02 . 2 . . . . 881 . . . 6344 1 972 . 1 1 86 86 LYS HG2 H 1 0.98 0.02 . 2 . . . . 882 . . . 6344 1 973 . 1 1 86 86 LYS HG3 H 1 1.30 0.02 . 2 . . . . 883 . . . 6344 1 974 . 1 1 86 86 LYS HD2 H 1 -0.44 0.02 . 2 . . . . 884 . . . 6344 1 975 . 1 1 86 86 LYS HD3 H 1 0.97 0.02 . 2 . . . . 885 . . . 6344 1 976 . 1 1 86 86 LYS HE2 H 1 2.28 0.02 . 1 . . . . 886 . . . 6344 1 977 . 1 1 86 86 LYS HE3 H 1 2.28 0.02 . 1 . . . . 887 . . . 6344 1 978 . 1 1 86 86 LYS C C 13 174.1 0.2 . 1 . . . . 888 . . . 6344 1 979 . 1 1 86 86 LYS CA C 13 54.4 0.2 . 1 . . . . 889 . . . 6344 1 980 . 1 1 86 86 LYS CB C 13 37.6 0.2 . 1 . . . . 890 . . . 6344 1 981 . 1 1 86 86 LYS CG C 13 22.7 0.2 . 1 . . . . 891 . . . 6344 1 982 . 1 1 86 86 LYS CD C 13 27.5 0.2 . 1 . . . . 892 . . . 6344 1 983 . 1 1 86 86 LYS CE C 13 41.3 0.2 . 1 . . . . 893 . . . 6344 1 984 . 1 1 86 86 LYS N N 15 117.1 0.2 . 1 . . . . 894 . . . 6344 1 985 . 1 1 87 87 SER H H 1 8.38 0.02 . 1 . . . . 895 . . . 6344 1 986 . 1 1 87 87 SER HA H 1 5.00 0.02 . 1 . . . . 896 . . . 6344 1 987 . 1 1 87 87 SER HB2 H 1 2.44 0.02 . 2 . . . . 897 . . . 6344 1 988 . 1 1 87 87 SER HB3 H 1 2.92 0.02 . 2 . . . . 898 . . . 6344 1 989 . 1 1 87 87 SER HG H 1 5.30 0.02 . 1 . . . . 899 . . . 6344 1 990 . 1 1 87 87 SER C C 13 174.6 0.2 . 1 . . . . 900 . . . 6344 1 991 . 1 1 87 87 SER CA C 13 55.3 0.2 . 1 . . . . 901 . . . 6344 1 992 . 1 1 87 87 SER CB C 13 65.8 0.2 . 1 . . . . 902 . . . 6344 1 993 . 1 1 87 87 SER N N 15 116.9 0.2 . 1 . . . . 903 . . . 6344 1 994 . 1 1 88 88 THR H H 1 8.85 0.02 . 1 . . . . 904 . . . 6344 1 995 . 1 1 88 88 THR HA H 1 4.80 0.02 . 1 . . . . 905 . . . 6344 1 996 . 1 1 88 88 THR HB H 1 4.51 0.02 . 1 . . . . 906 . . . 6344 1 997 . 1 1 88 88 THR HG21 H 1 0.99 0.02 . 1 . . . . 907 . . . 6344 1 998 . 1 1 88 88 THR HG22 H 1 0.99 0.02 . 1 . . . . 907 . . . 6344 1 999 . 1 1 88 88 THR HG23 H 1 0.99 0.02 . 1 . . . . 907 . . . 6344 1 1000 . 1 1 88 88 THR C C 13 174.6 0.2 . 1 . . . . 908 . . . 6344 1 1001 . 1 1 88 88 THR CA C 13 62.3 0.2 . 1 . . . . 909 . . . 6344 1 1002 . 1 1 88 88 THR CB C 13 67.9 0.2 . 1 . . . . 910 . . . 6344 1 1003 . 1 1 88 88 THR CG2 C 13 22.4 0.2 . 1 . . . . 911 . . . 6344 1 1004 . 1 1 88 88 THR N N 15 116.0 0.2 . 1 . . . . 912 . . . 6344 1 1005 . 1 1 89 89 SER H H 1 8.47 0.02 . 1 . . . . 913 . . . 6344 1 1006 . 1 1 89 89 SER HA H 1 4.47 0.02 . 1 . . . . 914 . . . 6344 1 1007 . 1 1 89 89 SER HB2 H 1 3.90 0.02 . 2 . . . . 915 . . . 6344 1 1008 . 1 1 89 89 SER HB3 H 1 4.15 0.02 . 2 . . . . 916 . . . 6344 1 1009 . 1 1 89 89 SER C C 13 174.2 0.2 . 1 . . . . 917 . . . 6344 1 1010 . 1 1 89 89 SER CA C 13 58.8 0.2 . 1 . . . . 918 . . . 6344 1 1011 . 1 1 89 89 SER CB C 13 63.6 0.2 . 1 . . . . 919 . . . 6344 1 1012 . 1 1 89 89 SER N N 15 118.9 0.2 . 1 . . . . 920 . . . 6344 1 1013 . 1 1 90 90 LYS H H 1 8.51 0.02 . 1 . . . . 921 . . . 6344 1 1014 . 1 1 90 90 LYS HA H 1 4.26 0.02 . 1 . . . . 922 . . . 6344 1 1015 . 1 1 90 90 LYS HB2 H 1 1.94 0.02 . 1 . . . . 923 . . . 6344 1 1016 . 1 1 90 90 LYS HB3 H 1 1.94 0.02 . 1 . . . . 924 . . . 6344 1 1017 . 1 1 90 90 LYS HG2 H 1 1.52 0.02 . 2 . . . . 925 . . . 6344 1 1018 . 1 1 90 90 LYS HG3 H 1 1.59 0.02 . 2 . . . . 926 . . . 6344 1 1019 . 1 1 90 90 LYS HD2 H 1 1.76 0.02 . 1 . . . . 927 . . . 6344 1 1020 . 1 1 90 90 LYS HD3 H 1 1.76 0.02 . 1 . . . . 928 . . . 6344 1 1021 . 1 1 90 90 LYS HE2 H 1 3.06 0.02 . 1 . . . . 929 . . . 6344 1 1022 . 1 1 90 90 LYS HE3 H 1 3.06 0.02 . 1 . . . . 930 . . . 6344 1 1023 . 1 1 90 90 LYS C C 13 178.2 0.2 . 1 . . . . 931 . . . 6344 1 1024 . 1 1 90 90 LYS CA C 13 59.1 0.2 . 1 . . . . 932 . . . 6344 1 1025 . 1 1 90 90 LYS CB C 13 32.7 0.2 . 1 . . . . 933 . . . 6344 1 1026 . 1 1 90 90 LYS CG C 13 25.4 0.2 . 1 . . . . 934 . . . 6344 1 1027 . 1 1 90 90 LYS CD C 13 29.3 0.2 . 1 . . . . 935 . . . 6344 1 1028 . 1 1 90 90 LYS CE C 13 42.2 0.2 . 1 . . . . 936 . . . 6344 1 1029 . 1 1 90 90 LYS N N 15 121.7 0.2 . 1 . . . . 937 . . . 6344 1 1030 . 1 1 91 91 GLU H H 1 7.90 0.02 . 1 . . . . 938 . . . 6344 1 1031 . 1 1 91 91 GLU HA H 1 4.63 0.02 . 1 . . . . 939 . . . 6344 1 1032 . 1 1 91 91 GLU HB2 H 1 1.68 0.02 . 2 . . . . 940 . . . 6344 1 1033 . 1 1 91 91 GLU HB3 H 1 1.99 0.02 . 2 . . . . 941 . . . 6344 1 1034 . 1 1 91 91 GLU HG2 H 1 2.20 0.02 . 1 . . . . 942 . . . 6344 1 1035 . 1 1 91 91 GLU HG3 H 1 2.20 0.02 . 1 . . . . 943 . . . 6344 1 1036 . 1 1 91 91 GLU CA C 13 53.6 0.2 . 1 . . . . 944 . . . 6344 1 1037 . 1 1 91 91 GLU CB C 13 30.8 0.2 . 1 . . . . 945 . . . 6344 1 1038 . 1 1 91 91 GLU CG C 13 35.9 0.2 . 1 . . . . 946 . . . 6344 1 1039 . 1 1 91 91 GLU N N 15 121.4 0.2 . 1 . . . . 947 . . . 6344 1 1040 . 1 1 92 92 PRO HA H 1 3.23 0.02 . 1 . . . . 948 . . . 6344 1 1041 . 1 1 92 92 PRO HB2 H 1 0.92 0.02 . 2 . . . . 949 . . . 6344 1 1042 . 1 1 92 92 PRO HB3 H 1 2.05 0.02 . 2 . . . . 950 . . . 6344 1 1043 . 1 1 92 92 PRO HG2 H 1 1.85 0.02 . 1 . . . . 951 . . . 6344 1 1044 . 1 1 92 92 PRO HG3 H 1 1.85 0.02 . 1 . . . . 952 . . . 6344 1 1045 . 1 1 92 92 PRO HD2 H 1 3.30 0.02 . 2 . . . . 953 . . . 6344 1 1046 . 1 1 92 92 PRO HD3 H 1 3.55 0.02 . 2 . . . . 954 . . . 6344 1 1047 . 1 1 92 92 PRO C C 13 173.0 0.2 . 1 . . . . 955 . . . 6344 1 1048 . 1 1 92 92 PRO CA C 13 61.4 0.2 . 1 . . . . 956 . . . 6344 1 1049 . 1 1 92 92 PRO CB C 13 26.4 0.2 . 1 . . . . 957 . . . 6344 1 1050 . 1 1 92 92 PRO CG C 13 27.2 0.2 . 1 . . . . 958 . . . 6344 1 1051 . 1 1 92 92 PRO CD C 13 48.8 0.2 . 1 . . . . 959 . . . 6344 1 1052 . 1 1 93 93 VAL H H 1 8.21 0.02 . 1 . . . . 960 . . . 6344 1 1053 . 1 1 93 93 VAL HA H 1 4.42 0.02 . 1 . . . . 961 . . . 6344 1 1054 . 1 1 93 93 VAL HB H 1 2.05 0.02 . 1 . . . . 962 . . . 6344 1 1055 . 1 1 93 93 VAL HG11 H 1 0.67 0.02 . 1 . . . . 963 . . . 6344 1 1056 . 1 1 93 93 VAL HG12 H 1 0.67 0.02 . 1 . . . . 963 . . . 6344 1 1057 . 1 1 93 93 VAL HG13 H 1 0.67 0.02 . 1 . . . . 963 . . . 6344 1 1058 . 1 1 93 93 VAL HG21 H 1 0.59 0.02 . 1 . . . . 964 . . . 6344 1 1059 . 1 1 93 93 VAL HG22 H 1 0.59 0.02 . 1 . . . . 964 . . . 6344 1 1060 . 1 1 93 93 VAL HG23 H 1 0.59 0.02 . 1 . . . . 964 . . . 6344 1 1061 . 1 1 93 93 VAL C C 13 173.5 0.2 . 1 . . . . 965 . . . 6344 1 1062 . 1 1 93 93 VAL CA C 13 58.7 0.2 . 1 . . . . 966 . . . 6344 1 1063 . 1 1 93 93 VAL CB C 13 36.0 0.2 . 1 . . . . 967 . . . 6344 1 1064 . 1 1 93 93 VAL CG1 C 13 21.4 0.2 . 1 . . . . 968 . . . 6344 1 1065 . 1 1 93 93 VAL CG2 C 13 17.9 0.2 . 1 . . . . 969 . . . 6344 1 1066 . 1 1 93 93 VAL N N 15 119.8 0.2 . 1 . . . . 970 . . . 6344 1 1067 . 1 1 94 94 ASP H H 1 8.50 0.02 . 1 . . . . 971 . . . 6344 1 1068 . 1 1 94 94 ASP HA H 1 4.23 0.02 . 1 . . . . 972 . . . 6344 1 1069 . 1 1 94 94 ASP HB2 H 1 2.73 0.02 . 1 . . . . 973 . . . 6344 1 1070 . 1 1 94 94 ASP HB3 H 1 2.73 0.02 . 1 . . . . 974 . . . 6344 1 1071 . 1 1 94 94 ASP C C 13 175.8 0.2 . 1 . . . . 975 . . . 6344 1 1072 . 1 1 94 94 ASP CA C 13 55.3 0.2 . 1 . . . . 976 . . . 6344 1 1073 . 1 1 94 94 ASP CB C 13 38.2 0.2 . 1 . . . . 977 . . . 6344 1 1074 . 1 1 94 94 ASP N N 15 117.5 0.2 . 1 . . . . 978 . . . 6344 1 1075 . 1 1 95 95 PHE H H 1 8.13 0.02 . 1 . . . . 979 . . . 6344 1 1076 . 1 1 95 95 PHE HA H 1 4.20 0.02 . 1 . . . . 980 . . . 6344 1 1077 . 1 1 95 95 PHE HB2 H 1 2.84 0.02 . 2 . . . . 981 . . . 6344 1 1078 . 1 1 95 95 PHE HB3 H 1 3.02 0.02 . 2 . . . . 982 . . . 6344 1 1079 . 1 1 95 95 PHE HD1 H 1 6.86 0.02 . 1 . . . . 983 . . . 6344 1 1080 . 1 1 95 95 PHE HD2 H 1 6.86 0.02 . 1 . . . . 984 . . . 6344 1 1081 . 1 1 95 95 PHE HE1 H 1 6.54 0.02 . 1 . . . . 985 . . . 6344 1 1082 . 1 1 95 95 PHE HE2 H 1 6.54 0.02 . 1 . . . . 986 . . . 6344 1 1083 . 1 1 95 95 PHE HZ H 1 6.89 0.02 . 3 . . . . 987 . . . 6344 1 1084 . 1 1 95 95 PHE C C 13 176.7 0.2 . 1 . . . . 988 . . . 6344 1 1085 . 1 1 95 95 PHE CA C 13 60.2 0.2 . 1 . . . . 989 . . . 6344 1 1086 . 1 1 95 95 PHE CB C 13 40.2 0.2 . 1 . . . . 990 . . . 6344 1 1087 . 1 1 95 95 PHE CD1 C 13 131.0 0.2 . 1 . . . . 991 . . . 6344 1 1088 . 1 1 95 95 PHE CD2 C 13 131.0 0.2 . 1 . . . . 992 . . . 6344 1 1089 . 1 1 95 95 PHE CE1 C 13 127.4 0.2 . 1 . . . . 993 . . . 6344 1 1090 . 1 1 95 95 PHE CE2 C 13 127.4 0.2 . 1 . . . . 994 . . . 6344 1 1091 . 1 1 95 95 PHE CZ C 13 131.8 0.2 . 1 . . . . 995 . . . 6344 1 1092 . 1 1 95 95 PHE N N 15 116.2 0.2 . 1 . . . . 996 . . . 6344 1 1093 . 1 1 96 96 GLU H H 1 9.23 0.02 . 1 . . . . 997 . . . 6344 1 1094 . 1 1 96 96 GLU HA H 1 4.78 0.02 . 1 . . . . 998 . . . 6344 1 1095 . 1 1 96 96 GLU HB2 H 1 2.06 0.02 . 2 . . . . 999 . . . 6344 1 1096 . 1 1 96 96 GLU HB3 H 1 2.15 0.02 . 2 . . . . 1000 . . . 6344 1 1097 . 1 1 96 96 GLU HG2 H 1 2.40 0.02 . 1 . . . . 1001 . . . 6344 1 1098 . 1 1 96 96 GLU HG3 H 1 2.40 0.02 . 1 . . . . 1002 . . . 6344 1 1099 . 1 1 96 96 GLU C C 13 175.9 0.2 . 1 . . . . 1003 . . . 6344 1 1100 . 1 1 96 96 GLU CA C 13 54.2 0.2 . 1 . . . . 1004 . . . 6344 1 1101 . 1 1 96 96 GLU CB C 13 33.2 0.2 . 1 . . . . 1005 . . . 6344 1 1102 . 1 1 96 96 GLU CG C 13 35.8 0.2 . 1 . . . . 1006 . . . 6344 1 1103 . 1 1 96 96 GLU N N 15 121.9 0.2 . 1 . . . . 1007 . . . 6344 1 1104 . 1 1 97 97 GLN H H 1 8.70 0.02 . 1 . . . . 1008 . . . 6344 1 1105 . 1 1 97 97 GLN HA H 1 4.16 0.02 . 1 . . . . 1009 . . . 6344 1 1106 . 1 1 97 97 GLN HB2 H 1 2.15 0.02 . 1 . . . . 1010 . . . 6344 1 1107 . 1 1 97 97 GLN HB3 H 1 2.15 0.02 . 1 . . . . 1011 . . . 6344 1 1108 . 1 1 97 97 GLN HG2 H 1 2.50 0.02 . 1 . . . . 1012 . . . 6344 1 1109 . 1 1 97 97 GLN HG3 H 1 2.50 0.02 . 1 . . . . 1013 . . . 6344 1 1110 . 1 1 97 97 GLN HE21 H 1 7.69 0.02 . 1 . . . . 1014 . . . 6344 1 1111 . 1 1 97 97 GLN HE22 H 1 6.79 0.02 . 1 . . . . 1015 . . . 6344 1 1112 . 1 1 97 97 GLN C C 13 175.1 0.2 . 1 . . . . 1016 . . . 6344 1 1113 . 1 1 97 97 GLN CA C 13 58.1 0.2 . 1 . . . . 1017 . . . 6344 1 1114 . 1 1 97 97 GLN CB C 13 28.7 0.2 . 1 . . . . 1018 . . . 6344 1 1115 . 1 1 97 97 GLN CG C 13 33.8 0.2 . 1 . . . . 1019 . . . 6344 1 1116 . 1 1 97 97 GLN CD C 13 180.3 0.2 . 1 . . . . 1020 . . . 6344 1 1117 . 1 1 97 97 GLN N N 15 122.5 0.2 . 1 . . . . 1021 . . . 6344 1 1118 . 1 1 97 97 GLN NE2 N 15 112.3 0.2 . 1 . . . . 1022 . . . 6344 1 1119 . 1 1 98 98 TRP H H 1 9.02 0.02 . 1 . . . . 1023 . . . 6344 1 1120 . 1 1 98 98 TRP HA H 1 5.29 0.02 . 1 . . . . 1024 . . . 6344 1 1121 . 1 1 98 98 TRP HB2 H 1 2.97 0.02 . 2 . . . . 1025 . . . 6344 1 1122 . 1 1 98 98 TRP HB3 H 1 3.77 0.02 . 2 . . . . 1026 . . . 6344 1 1123 . 1 1 98 98 TRP HD1 H 1 7.46 0.02 . 1 . . . . 1027 . . . 6344 1 1124 . 1 1 98 98 TRP HE1 H 1 9.86 0.02 . 1 . . . . 1028 . . . 6344 1 1125 . 1 1 98 98 TRP HE3 H 1 6.75 0.02 . 1 . . . . 1029 . . . 6344 1 1126 . 1 1 98 98 TRP HZ2 H 1 6.79 0.02 . 1 . . . . 1030 . . . 6344 1 1127 . 1 1 98 98 TRP HZ3 H 1 6.34 0.02 . 1 . . . . 1031 . . . 6344 1 1128 . 1 1 98 98 TRP HH2 H 1 6.74 0.02 . 1 . . . . 1032 . . . 6344 1 1129 . 1 1 98 98 TRP C C 13 174.2 0.2 . 1 . . . . 1033 . . . 6344 1 1130 . 1 1 98 98 TRP CA C 13 58.1 0.2 . 1 . . . . 1034 . . . 6344 1 1131 . 1 1 98 98 TRP CB C 13 30.7 0.2 . 1 . . . . 1035 . . . 6344 1 1132 . 1 1 98 98 TRP CD1 C 13 125.5 0.2 . 1 . . . . 1036 . . . 6344 1 1133 . 1 1 98 98 TRP CE3 C 13 121.3 0.2 . 1 . . . . 1037 . . . 6344 1 1134 . 1 1 98 98 TRP CZ2 C 13 113.3 0.2 . 1 . . . . 1038 . . . 6344 1 1135 . 1 1 98 98 TRP CZ3 C 13 117.9 0.2 . 1 . . . . 1039 . . . 6344 1 1136 . 1 1 98 98 TRP CH2 C 13 123.4 0.2 . 1 . . . . 1040 . . . 6344 1 1137 . 1 1 98 98 TRP N N 15 125.6 0.2 . 1 . . . . 1041 . . . 6344 1 1138 . 1 1 98 98 TRP NE1 N 15 128.5 0.2 . 1 . . . . 1042 . . . 6344 1 1139 . 1 1 99 99 ILE H H 1 8.50 0.02 . 1 . . . . 1043 . . . 6344 1 1140 . 1 1 99 99 ILE HA H 1 4.39 0.02 . 1 . . . . 1044 . . . 6344 1 1141 . 1 1 99 99 ILE HB H 1 1.27 0.02 . 1 . . . . 1045 . . . 6344 1 1142 . 1 1 99 99 ILE HG12 H 1 0.25 0.02 . 1 . . . . 1046 . . . 6344 1 1143 . 1 1 99 99 ILE HG13 H 1 0.25 0.02 . 1 . . . . 1047 . . . 6344 1 1144 . 1 1 99 99 ILE HG21 H 1 0.52 0.02 . 1 . . . . 1048 . . . 6344 1 1145 . 1 1 99 99 ILE HG22 H 1 0.52 0.02 . 1 . . . . 1048 . . . 6344 1 1146 . 1 1 99 99 ILE HG23 H 1 0.52 0.02 . 1 . . . . 1048 . . . 6344 1 1147 . 1 1 99 99 ILE HD11 H 1 -0.30 0.02 . 1 . . . . 1049 . . . 6344 1 1148 . 1 1 99 99 ILE HD12 H 1 -0.30 0.02 . 1 . . . . 1049 . . . 6344 1 1149 . 1 1 99 99 ILE HD13 H 1 -0.30 0.02 . 1 . . . . 1049 . . . 6344 1 1150 . 1 1 99 99 ILE C C 13 174.8 0.2 . 1 . . . . 1050 . . . 6344 1 1151 . 1 1 99 99 ILE CA C 13 59.3 0.2 . 1 . . . . 1051 . . . 6344 1 1152 . 1 1 99 99 ILE CB C 13 42.1 0.2 . 1 . . . . 1052 . . . 6344 1 1153 . 1 1 99 99 ILE CG1 C 13 26.4 0.2 . 1 . . . . 1053 . . . 6344 1 1154 . 1 1 99 99 ILE CG2 C 13 17.0 0.2 . 1 . . . . 1054 . . . 6344 1 1155 . 1 1 99 99 ILE CD1 C 13 12.5 0.2 . 1 . . . . 1055 . . . 6344 1 1156 . 1 1 99 99 ILE N N 15 119.6 0.2 . 1 . . . . 1056 . . . 6344 1 1157 . 1 1 100 100 GLU H H 1 8.41 0.02 . 1 . . . . 1057 . . . 6344 1 1158 . 1 1 100 100 GLU HA H 1 5.10 0.02 . 1 . . . . 1058 . . . 6344 1 1159 . 1 1 100 100 GLU HB2 H 1 1.96 0.02 . 1 . . . . 1059 . . . 6344 1 1160 . 1 1 100 100 GLU HB3 H 1 1.96 0.02 . 1 . . . . 1060 . . . 6344 1 1161 . 1 1 100 100 GLU HG2 H 1 2.08 0.02 . 1 . . . . 1061 . . . 6344 1 1162 . 1 1 100 100 GLU HG3 H 1 2.08 0.02 . 1 . . . . 1062 . . . 6344 1 1163 . 1 1 100 100 GLU C C 13 174.2 0.2 . 1 . . . . 1063 . . . 6344 1 1164 . 1 1 100 100 GLU CA C 13 56.0 0.2 . 1 . . . . 1064 . . . 6344 1 1165 . 1 1 100 100 GLU CB C 13 32.4 0.2 . 1 . . . . 1065 . . . 6344 1 1166 . 1 1 100 100 GLU CG C 13 35.9 0.2 . 1 . . . . 1066 . . . 6344 1 1167 . 1 1 100 100 GLU N N 15 128.0 0.2 . 1 . . . . 1067 . . . 6344 1 1168 . 1 1 101 101 LYS H H 1 9.17 0.02 . 1 . . . . 1068 . . . 6344 1 1169 . 1 1 101 101 LYS HA H 1 4.64 0.02 . 1 . . . . 1069 . . . 6344 1 1170 . 1 1 101 101 LYS HB2 H 1 1.49 0.02 . 2 . . . . 1070 . . . 6344 1 1171 . 1 1 101 101 LYS HB3 H 1 1.65 0.02 . 2 . . . . 1071 . . . 6344 1 1172 . 1 1 101 101 LYS HG2 H 1 1.26 0.02 . 2 . . . . 1072 . . . 6344 1 1173 . 1 1 101 101 LYS HG3 H 1 1.32 0.02 . 2 . . . . 1073 . . . 6344 1 1174 . 1 1 101 101 LYS HD2 H 1 1.61 0.02 . 2 . . . . 1074 . . . 6344 1 1175 . 1 1 101 101 LYS HD3 H 1 1.71 0.02 . 2 . . . . 1075 . . . 6344 1 1176 . 1 1 101 101 LYS HE2 H 1 2.96 0.02 . 1 . . . . 1076 . . . 6344 1 1177 . 1 1 101 101 LYS HE3 H 1 2.96 0.02 . 1 . . . . 1077 . . . 6344 1 1178 . 1 1 101 101 LYS C C 13 173.0 0.2 . 1 . . . . 1078 . . . 6344 1 1179 . 1 1 101 101 LYS CA C 13 54.9 0.2 . 1 . . . . 1079 . . . 6344 1 1180 . 1 1 101 101 LYS CB C 13 37.2 0.2 . 1 . . . . 1080 . . . 6344 1 1181 . 1 1 101 101 LYS CG C 13 24.6 0.2 . 1 . . . . 1081 . . . 6344 1 1182 . 1 1 101 101 LYS CD C 13 28.6 0.2 . 1 . . . . 1082 . . . 6344 1 1183 . 1 1 101 101 LYS CE C 13 42.0 0.2 . 1 . . . . 1083 . . . 6344 1 1184 . 1 1 101 101 LYS N N 15 125.4 0.2 . 1 . . . . 1084 . . . 6344 1 1185 . 1 1 102 102 ASP H H 1 8.35 0.02 . 1 . . . . 1085 . . . 6344 1 1186 . 1 1 102 102 ASP HA H 1 5.47 0.02 . 1 . . . . 1086 . . . 6344 1 1187 . 1 1 102 102 ASP HB2 H 1 2.55 0.02 . 2 . . . . 1087 . . . 6344 1 1188 . 1 1 102 102 ASP HB3 H 1 2.62 0.02 . 2 . . . . 1088 . . . 6344 1 1189 . 1 1 102 102 ASP C C 13 175.9 0.2 . 1 . . . . 1089 . . . 6344 1 1190 . 1 1 102 102 ASP CA C 13 53.1 0.2 . 1 . . . . 1090 . . . 6344 1 1191 . 1 1 102 102 ASP CB C 13 41.5 0.2 . 1 . . . . 1091 . . . 6344 1 1192 . 1 1 102 102 ASP N N 15 123.7 0.2 . 1 . . . . 1092 . . . 6344 1 1193 . 1 1 103 103 LEU H H 1 9.01 0.02 . 1 . . . . 1093 . . . 6344 1 1194 . 1 1 103 103 LEU HA H 1 4.59 0.02 . 1 . . . . 1094 . . . 6344 1 1195 . 1 1 103 103 LEU HB2 H 1 1.84 0.02 . 2 . . . . 1095 . . . 6344 1 1196 . 1 1 103 103 LEU HB3 H 1 1.95 0.02 . 2 . . . . 1096 . . . 6344 1 1197 . 1 1 103 103 LEU HG H 1 1.64 0.02 . 1 . . . . 1097 . . . 6344 1 1198 . 1 1 103 103 LEU HD11 H 1 0.76 0.02 . 1 . . . . 1098 . . . 6344 1 1199 . 1 1 103 103 LEU HD12 H 1 0.76 0.02 . 1 . . . . 1098 . . . 6344 1 1200 . 1 1 103 103 LEU HD13 H 1 0.76 0.02 . 1 . . . . 1098 . . . 6344 1 1201 . 1 1 103 103 LEU HD21 H 1 0.72 0.02 . 1 . . . . 1099 . . . 6344 1 1202 . 1 1 103 103 LEU HD22 H 1 0.72 0.02 . 1 . . . . 1099 . . . 6344 1 1203 . 1 1 103 103 LEU HD23 H 1 0.72 0.02 . 1 . . . . 1099 . . . 6344 1 1204 . 1 1 103 103 LEU CA C 13 55.2 0.2 . 1 . . . . 1100 . . . 6344 1 1205 . 1 1 103 103 LEU CB C 13 42.7 0.2 . 1 . . . . 1101 . . . 6344 1 1206 . 1 1 103 103 LEU CG C 13 29.3 0.2 . 1 . . . . 1102 . . . 6344 1 1207 . 1 1 103 103 LEU CD1 C 13 25.3 0.2 . 1 . . . . 1103 . . . 6344 1 1208 . 1 1 103 103 LEU CD2 C 13 24.8 0.2 . 1 . . . . 1104 . . . 6344 1 1209 . 1 1 103 103 LEU N N 15 126.5 0.2 . 1 . . . . 1105 . . . 6344 1 1210 . 1 1 104 104 VAL H H 1 8.32 0.02 . 1 . . . . 1106 . . . 6344 1 1211 . 1 1 104 104 VAL HA H 1 4.40 0.02 . 1 . . . . 1107 . . . 6344 1 1212 . 1 1 104 104 VAL HB H 1 2.08 0.02 . 1 . . . . 1108 . . . 6344 1 1213 . 1 1 104 104 VAL HG11 H 1 0.93 0.02 . 2 . . . . 1109 . . . 6344 1 1214 . 1 1 104 104 VAL HG12 H 1 0.93 0.02 . 2 . . . . 1109 . . . 6344 1 1215 . 1 1 104 104 VAL HG13 H 1 0.93 0.02 . 2 . . . . 1109 . . . 6344 1 1216 . 1 1 104 104 VAL HG21 H 1 0.98 0.02 . 2 . . . . 1110 . . . 6344 1 1217 . 1 1 104 104 VAL HG22 H 1 0.98 0.02 . 2 . . . . 1110 . . . 6344 1 1218 . 1 1 104 104 VAL HG23 H 1 0.98 0.02 . 2 . . . . 1110 . . . 6344 1 1219 . 1 1 104 104 VAL C C 13 176.5 0.2 . 1 . . . . 1111 . . . 6344 1 1220 . 1 1 104 104 VAL CA C 13 61.4 0.2 . 1 . . . . 1112 . . . 6344 1 1221 . 1 1 104 104 VAL CB C 13 33.6 0.2 . 1 . . . . 1113 . . . 6344 1 1222 . 1 1 104 104 VAL CG1 C 13 21.3 0.2 . 2 . . . . 1114 . . . 6344 1 1223 . 1 1 104 104 VAL CG2 C 13 20.8 0.2 . 2 . . . . 1115 . . . 6344 1 1224 . 1 1 104 104 VAL N N 15 116.2 0.2 . 1 . . . . 1116 . . . 6344 1 1225 . 1 1 105 105 HIS H H 1 8.36 0.02 . 1 . . . . 1117 . . . 6344 1 1226 . 1 1 105 105 HIS HA H 1 4.55 0.02 . 1 . . . . 1118 . . . 6344 1 1227 . 1 1 105 105 HIS HB2 H 1 1.44 0.02 . 2 . . . . 1119 . . . 6344 1 1228 . 1 1 105 105 HIS HB3 H 1 2.09 0.02 . 2 . . . . 1120 . . . 6344 1 1229 . 1 1 105 105 HIS HD2 H 1 6.62 0.02 . 1 . . . . 1121 . . . 6344 1 1230 . 1 1 105 105 HIS C C 13 174.3 0.2 . 1 . . . . 1122 . . . 6344 1 1231 . 1 1 105 105 HIS CA C 13 55.6 0.2 . 1 . . . . 1123 . . . 6344 1 1232 . 1 1 105 105 HIS CB C 13 30.9 0.2 . 1 . . . . 1124 . . . 6344 1 1233 . 1 1 105 105 HIS CD2 C 13 117.1 0.2 . 1 . . . . 1125 . . . 6344 1 1234 . 1 1 105 105 HIS N N 15 126.2 0.2 . 1 . . . . 1126 . . . 6344 1 1235 . 1 1 106 106 THR H H 1 8.41 0.02 . 1 . . . . 1127 . . . 6344 1 1236 . 1 1 106 106 THR HA H 1 4.00 0.02 . 1 . . . . 1128 . . . 6344 1 1237 . 1 1 106 106 THR HB H 1 3.76 0.02 . 1 . . . . 1129 . . . 6344 1 1238 . 1 1 106 106 THR HG21 H 1 1.01 0.02 . 1 . . . . 1130 . . . 6344 1 1239 . 1 1 106 106 THR HG22 H 1 1.01 0.02 . 1 . . . . 1130 . . . 6344 1 1240 . 1 1 106 106 THR HG23 H 1 1.01 0.02 . 1 . . . . 1130 . . . 6344 1 1241 . 1 1 106 106 THR C C 13 172.9 0.2 . 1 . . . . 1131 . . . 6344 1 1242 . 1 1 106 106 THR CA C 13 60.8 0.2 . 1 . . . . 1132 . . . 6344 1 1243 . 1 1 106 106 THR CB C 13 70.1 0.2 . 1 . . . . 1133 . . . 6344 1 1244 . 1 1 106 106 THR CG2 C 13 21.4 0.2 . 1 . . . . 1134 . . . 6344 1 1245 . 1 1 106 106 THR N N 15 124.6 0.2 . 1 . . . . 1135 . . . 6344 1 1246 . 1 1 107 107 GLU H H 1 8.34 0.02 . 1 . . . . 1136 . . . 6344 1 1247 . 1 1 107 107 GLU HA H 1 3.93 0.02 . 1 . . . . 1137 . . . 6344 1 1248 . 1 1 107 107 GLU HB2 H 1 1.93 0.02 . 2 . . . . 1138 . . . 6344 1 1249 . 1 1 107 107 GLU HB3 H 1 1.98 0.02 . 2 . . . . 1139 . . . 6344 1 1250 . 1 1 107 107 GLU HG2 H 1 2.26 0.02 . 1 . . . . 1140 . . . 6344 1 1251 . 1 1 107 107 GLU HG3 H 1 2.26 0.02 . 1 . . . . 1141 . . . 6344 1 1252 . 1 1 107 107 GLU C C 13 177.4 0.2 . 1 . . . . 1142 . . . 6344 1 1253 . 1 1 107 107 GLU CA C 13 58.1 0.2 . 1 . . . . 1143 . . . 6344 1 1254 . 1 1 107 107 GLU CB C 13 29.5 0.2 . 1 . . . . 1144 . . . 6344 1 1255 . 1 1 107 107 GLU CG C 13 35.7 0.2 . 1 . . . . 1145 . . . 6344 1 1256 . 1 1 107 107 GLU N N 15 125.0 0.2 . 1 . . . . 1146 . . . 6344 1 1257 . 1 1 108 108 GLY H H 1 8.82 0.02 . 1 . . . . 1147 . . . 6344 1 1258 . 1 1 108 108 GLY HA2 H 1 3.71 0.02 . 2 . . . . 1148 . . . 6344 1 1259 . 1 1 108 108 GLY HA3 H 1 4.15 0.02 . 2 . . . . 1149 . . . 6344 1 1260 . 1 1 108 108 GLY C C 13 173.3 0.2 . 1 . . . . 1150 . . . 6344 1 1261 . 1 1 108 108 GLY CA C 13 45.6 0.2 . 1 . . . . 1151 . . . 6344 1 1262 . 1 1 108 108 GLY N N 15 112.7 0.2 . 1 . . . . 1152 . . . 6344 1 1263 . 1 1 109 109 GLN H H 1 7.86 0.02 . 1 . . . . 1153 . . . 6344 1 1264 . 1 1 109 109 GLN HA H 1 4.61 0.02 . 1 . . . . 1154 . . . 6344 1 1265 . 1 1 109 109 GLN HB2 H 1 1.72 0.02 . 2 . . . . 1155 . . . 6344 1 1266 . 1 1 109 109 GLN HB3 H 1 2.04 0.02 . 2 . . . . 1156 . . . 6344 1 1267 . 1 1 109 109 GLN HG2 H 1 2.23 0.02 . 1 . . . . 1157 . . . 6344 1 1268 . 1 1 109 109 GLN HG3 H 1 2.23 0.02 . 1 . . . . 1158 . . . 6344 1 1269 . 1 1 109 109 GLN HE21 H 1 7.59 0.02 . 1 . . . . 1159 . . . 6344 1 1270 . 1 1 109 109 GLN HE22 H 1 6.84 0.02 . 1 . . . . 1160 . . . 6344 1 1271 . 1 1 109 109 GLN C C 13 174.1 0.2 . 1 . . . . 1161 . . . 6344 1 1272 . 1 1 109 109 GLN CA C 13 53.8 0.2 . 1 . . . . 1162 . . . 6344 1 1273 . 1 1 109 109 GLN CB C 13 31.8 0.2 . 1 . . . . 1163 . . . 6344 1 1274 . 1 1 109 109 GLN CG C 13 33.3 0.2 . 1 . . . . 1164 . . . 6344 1 1275 . 1 1 109 109 GLN CD C 13 180.4 0.2 . 1 . . . . 1165 . . . 6344 1 1276 . 1 1 109 109 GLN N N 15 118.4 0.2 . 1 . . . . 1166 . . . 6344 1 1277 . 1 1 109 109 GLN NE2 N 15 112.3 0.2 . 1 . . . . 1167 . . . 6344 1 1278 . 1 1 110 110 LEU H H 1 8.28 0.02 . 1 . . . . 1168 . . . 6344 1 1279 . 1 1 110 110 LEU HA H 1 3.95 0.02 . 1 . . . . 1169 . . . 6344 1 1280 . 1 1 110 110 LEU HB2 H 1 1.33 0.02 . 2 . . . . 1170 . . . 6344 1 1281 . 1 1 110 110 LEU HB3 H 1 1.41 0.02 . 2 . . . . 1171 . . . 6344 1 1282 . 1 1 110 110 LEU HG H 1 1.38 0.02 . 1 . . . . 1172 . . . 6344 1 1283 . 1 1 110 110 LEU HD11 H 1 0.23 0.02 . 1 . . . . 1173 . . . 6344 1 1284 . 1 1 110 110 LEU HD12 H 1 0.23 0.02 . 1 . . . . 1173 . . . 6344 1 1285 . 1 1 110 110 LEU HD13 H 1 0.23 0.02 . 1 . . . . 1173 . . . 6344 1 1286 . 1 1 110 110 LEU HD21 H 1 0.19 0.02 . 1 . . . . 1174 . . . 6344 1 1287 . 1 1 110 110 LEU HD22 H 1 0.19 0.02 . 1 . . . . 1174 . . . 6344 1 1288 . 1 1 110 110 LEU HD23 H 1 0.19 0.02 . 1 . . . . 1174 . . . 6344 1 1289 . 1 1 110 110 LEU C C 13 178.0 0.2 . 1 . . . . 1175 . . . 6344 1 1290 . 1 1 110 110 LEU CA C 13 55.6 0.2 . 1 . . . . 1176 . . . 6344 1 1291 . 1 1 110 110 LEU CB C 13 42.0 0.2 . 1 . . . . 1177 . . . 6344 1 1292 . 1 1 110 110 LEU CG C 13 26.1 0.2 . 1 . . . . 1178 . . . 6344 1 1293 . 1 1 110 110 LEU CD1 C 13 24.2 0.2 . 1 . . . . 1179 . . . 6344 1 1294 . 1 1 110 110 LEU CD2 C 13 23.1 0.2 . 1 . . . . 1180 . . . 6344 1 1295 . 1 1 110 110 LEU N N 15 122.4 0.2 . 1 . . . . 1181 . . . 6344 1 1296 . 1 1 111 111 GLN H H 1 9.36 0.02 . 1 . . . . 1182 . . . 6344 1 1297 . 1 1 111 111 GLN HA H 1 4.35 0.02 . 1 . . . . 1183 . . . 6344 1 1298 . 1 1 111 111 GLN HB2 H 1 2.00 0.02 . 2 . . . . 1184 . . . 6344 1 1299 . 1 1 111 111 GLN HB3 H 1 2.50 0.02 . 2 . . . . 1185 . . . 6344 1 1300 . 1 1 111 111 GLN HG2 H 1 2.60 0.02 . 1 . . . . 1186 . . . 6344 1 1301 . 1 1 111 111 GLN HG3 H 1 2.60 0.02 . 1 . . . . 1187 . . . 6344 1 1302 . 1 1 111 111 GLN C C 13 175.3 0.2 . 1 . . . . 1188 . . . 6344 1 1303 . 1 1 111 111 GLN CA C 13 55.9 0.2 . 1 . . . . 1189 . . . 6344 1 1304 . 1 1 111 111 GLN CB C 13 28.9 0.2 . 1 . . . . 1190 . . . 6344 1 1305 . 1 1 111 111 GLN CG C 13 36.2 0.2 . 1 . . . . 1191 . . . 6344 1 1306 . 1 1 111 111 GLN N N 15 122.3 0.2 . 1 . . . . 1192 . . . 6344 1 1307 . 1 1 112 112 ASN H H 1 8.59 0.02 . 1 . . . . 1193 . . . 6344 1 1308 . 1 1 112 112 ASN HA H 1 5.42 0.02 . 1 . . . . 1194 . . . 6344 1 1309 . 1 1 112 112 ASN HB2 H 1 2.50 0.02 . 2 . . . . 1195 . . . 6344 1 1310 . 1 1 112 112 ASN HB3 H 1 2.78 0.02 . 2 . . . . 1196 . . . 6344 1 1311 . 1 1 112 112 ASN HD21 H 1 7.26 0.02 . 1 . . . . 1197 . . . 6344 1 1312 . 1 1 112 112 ASN HD22 H 1 6.62 0.02 . 1 . . . . 1198 . . . 6344 1 1313 . 1 1 112 112 ASN C C 13 173.9 0.2 . 1 . . . . 1199 . . . 6344 1 1314 . 1 1 112 112 ASN CA C 13 52.7 0.2 . 1 . . . . 1200 . . . 6344 1 1315 . 1 1 112 112 ASN CB C 13 40.7 0.2 . 1 . . . . 1201 . . . 6344 1 1316 . 1 1 112 112 ASN CG C 13 176.8 0.2 . 1 . . . . 1202 . . . 6344 1 1317 . 1 1 112 112 ASN N N 15 123.8 0.2 . 1 . . . . 1203 . . . 6344 1 1318 . 1 1 112 112 ASN ND2 N 15 111.1 0.2 . 1 . . . . 1204 . . . 6344 1 1319 . 1 1 113 113 GLU H H 1 8.84 0.02 . 1 . . . . 1205 . . . 6344 1 1320 . 1 1 113 113 GLU HA H 1 4.73 0.02 . 1 . . . . 1206 . . . 6344 1 1321 . 1 1 113 113 GLU HB2 H 1 1.82 0.02 . 2 . . . . 1207 . . . 6344 1 1322 . 1 1 113 113 GLU HB3 H 1 1.96 0.02 . 2 . . . . 1208 . . . 6344 1 1323 . 1 1 113 113 GLU HG2 H 1 2.11 0.02 . 1 . . . . 1209 . . . 6344 1 1324 . 1 1 113 113 GLU HG3 H 1 2.11 0.02 . 1 . . . . 1210 . . . 6344 1 1325 . 1 1 113 113 GLU C C 13 174.1 0.2 . 1 . . . . 1211 . . . 6344 1 1326 . 1 1 113 113 GLU CA C 13 54.9 0.2 . 1 . . . . 1212 . . . 6344 1 1327 . 1 1 113 113 GLU CB C 13 32.3 0.2 . 1 . . . . 1213 . . . 6344 1 1328 . 1 1 113 113 GLU CG C 13 35.1 0.2 . 1 . . . . 1214 . . . 6344 1 1329 . 1 1 113 113 GLU N N 15 124.6 0.2 . 1 . . . . 1215 . . . 6344 1 1330 . 1 1 114 114 GLU H H 1 8.65 0.02 . 1 . . . . 1216 . . . 6344 1 1331 . 1 1 114 114 GLU HA H 1 5.11 0.02 . 1 . . . . 1217 . . . 6344 1 1332 . 1 1 114 114 GLU HB2 H 1 1.97 0.02 . 1 . . . . 1218 . . . 6344 1 1333 . 1 1 114 114 GLU HB3 H 1 1.97 0.02 . 1 . . . . 1219 . . . 6344 1 1334 . 1 1 114 114 GLU HG2 H 1 2.07 0.02 . 2 . . . . 1220 . . . 6344 1 1335 . 1 1 114 114 GLU HG3 H 1 2.14 0.02 . 2 . . . . 1221 . . . 6344 1 1336 . 1 1 114 114 GLU C C 13 175.6 0.2 . 1 . . . . 1222 . . . 6344 1 1337 . 1 1 114 114 GLU CA C 13 54.8 0.2 . 1 . . . . 1223 . . . 6344 1 1338 . 1 1 114 114 GLU CB C 13 31.3 0.2 . 1 . . . . 1224 . . . 6344 1 1339 . 1 1 114 114 GLU CG C 13 36.6 0.2 . 1 . . . . 1225 . . . 6344 1 1340 . 1 1 114 114 GLU N N 15 125.1 0.2 . 1 . . . . 1226 . . . 6344 1 1341 . 1 1 115 115 ILE H H 1 9.52 0.02 . 1 . . . . 1227 . . . 6344 1 1342 . 1 1 115 115 ILE HA H 1 4.27 0.02 . 1 . . . . 1228 . . . 6344 1 1343 . 1 1 115 115 ILE HB H 1 1.63 0.02 . 1 . . . . 1229 . . . 6344 1 1344 . 1 1 115 115 ILE HG12 H 1 0.90 0.02 . 2 . . . . 1230 . . . 6344 1 1345 . 1 1 115 115 ILE HG13 H 1 1.43 0.02 . 2 . . . . 1231 . . . 6344 1 1346 . 1 1 115 115 ILE HG21 H 1 0.63 0.02 . 1 . . . . 1232 . . . 6344 1 1347 . 1 1 115 115 ILE HG22 H 1 0.63 0.02 . 1 . . . . 1232 . . . 6344 1 1348 . 1 1 115 115 ILE HG23 H 1 0.63 0.02 . 1 . . . . 1232 . . . 6344 1 1349 . 1 1 115 115 ILE HD11 H 1 0.63 0.02 . 1 . . . . 1233 . . . 6344 1 1350 . 1 1 115 115 ILE HD12 H 1 0.63 0.02 . 1 . . . . 1233 . . . 6344 1 1351 . 1 1 115 115 ILE HD13 H 1 0.63 0.02 . 1 . . . . 1233 . . . 6344 1 1352 . 1 1 115 115 ILE C C 13 174.9 0.2 . 1 . . . . 1234 . . . 6344 1 1353 . 1 1 115 115 ILE CA C 13 60.5 0.2 . 1 . . . . 1235 . . . 6344 1 1354 . 1 1 115 115 ILE CB C 13 41.2 0.2 . 1 . . . . 1236 . . . 6344 1 1355 . 1 1 115 115 ILE CG1 C 13 27.2 0.2 . 1 . . . . 1237 . . . 6344 1 1356 . 1 1 115 115 ILE CG2 C 13 17.5 0.2 . 1 . . . . 1238 . . . 6344 1 1357 . 1 1 115 115 ILE CD1 C 13 13.9 0.2 . 1 . . . . 1239 . . . 6344 1 1358 . 1 1 115 115 ILE N N 15 127.2 0.2 . 1 . . . . 1240 . . . 6344 1 1359 . 1 1 116 116 VAL H H 1 8.81 0.02 . 1 . . . . 1241 . . . 6344 1 1360 . 1 1 116 116 VAL HA H 1 3.99 0.02 . 1 . . . . 1242 . . . 6344 1 1361 . 1 1 116 116 VAL HB H 1 2.06 0.02 . 1 . . . . 1243 . . . 6344 1 1362 . 1 1 116 116 VAL HG11 H 1 0.98 0.02 . 1 . . . . 1244 . . . 6344 1 1363 . 1 1 116 116 VAL HG12 H 1 0.98 0.02 . 1 . . . . 1244 . . . 6344 1 1364 . 1 1 116 116 VAL HG13 H 1 0.98 0.02 . 1 . . . . 1244 . . . 6344 1 1365 . 1 1 116 116 VAL HG21 H 1 0.98 0.02 . 1 . . . . 1245 . . . 6344 1 1366 . 1 1 116 116 VAL HG22 H 1 0.98 0.02 . 1 . . . . 1245 . . . 6344 1 1367 . 1 1 116 116 VAL HG23 H 1 0.98 0.02 . 1 . . . . 1245 . . . 6344 1 1368 . 1 1 116 116 VAL C C 13 174.6 0.2 . 1 . . . . 1246 . . . 6344 1 1369 . 1 1 116 116 VAL CA C 13 64.0 0.2 . 1 . . . . 1247 . . . 6344 1 1370 . 1 1 116 116 VAL CB C 13 30.7 0.2 . 1 . . . . 1248 . . . 6344 1 1371 . 1 1 116 116 VAL CG1 C 13 21.2 0.2 . 1 . . . . 1249 . . . 6344 1 1372 . 1 1 116 116 VAL CG2 C 13 21.2 0.2 . 1 . . . . 1250 . . . 6344 1 1373 . 1 1 116 116 VAL N N 15 129.4 0.2 . 1 . . . . 1251 . . . 6344 1 1374 . 1 1 117 117 ALA H H 1 7.31 0.02 . 1 . . . . 1252 . . . 6344 1 1375 . 1 1 117 117 ALA HA H 1 4.29 0.02 . 1 . . . . 1253 . . . 6344 1 1376 . 1 1 117 117 ALA HB1 H 1 0.76 0.02 . 1 . . . . 1254 . . . 6344 1 1377 . 1 1 117 117 ALA HB2 H 1 0.76 0.02 . 1 . . . . 1254 . . . 6344 1 1378 . 1 1 117 117 ALA HB3 H 1 0.76 0.02 . 1 . . . . 1254 . . . 6344 1 1379 . 1 1 117 117 ALA C C 13 173.0 0.2 . 1 . . . . 1255 . . . 6344 1 1380 . 1 1 117 117 ALA CA C 13 51.6 0.2 . 1 . . . . 1256 . . . 6344 1 1381 . 1 1 117 117 ALA CB C 13 21.4 0.2 . 1 . . . . 1257 . . . 6344 1 1382 . 1 1 117 117 ALA N N 15 131.7 0.2 . 1 . . . . 1258 . . . 6344 1 1383 . 1 1 118 118 HIS H H 1 8.37 0.02 . 1 . . . . 1259 . . . 6344 1 1384 . 1 1 118 118 HIS HA H 1 5.80 0.02 . 1 . . . . 1260 . . . 6344 1 1385 . 1 1 118 118 HIS HB2 H 1 3.22 0.02 . 1 . . . . 1261 . . . 6344 1 1386 . 1 1 118 118 HIS HB3 H 1 3.22 0.02 . 1 . . . . 1262 . . . 6344 1 1387 . 1 1 118 118 HIS HD2 H 1 7.20 0.02 . 1 . . . . 1263 . . . 6344 1 1388 . 1 1 118 118 HIS C C 13 176.3 0.2 . 1 . . . . 1264 . . . 6344 1 1389 . 1 1 118 118 HIS CA C 13 53.9 0.2 . 1 . . . . 1265 . . . 6344 1 1390 . 1 1 118 118 HIS CB C 13 31.3 0.2 . 1 . . . . 1266 . . . 6344 1 1391 . 1 1 118 118 HIS CD2 C 13 119.8 0.2 . 1 . . . . 1267 . . . 6344 1 1392 . 1 1 118 118 HIS N N 15 116.6 0.2 . 1 . . . . 1268 . . . 6344 1 1393 . 1 1 119 119 GLY H H 1 8.31 0.02 . 1 . . . . 1269 . . . 6344 1 1394 . 1 1 119 119 GLY HA2 H 1 3.47 0.02 . 2 . . . . 1270 . . . 6344 1 1395 . 1 1 119 119 GLY HA3 H 1 4.12 0.02 . 2 . . . . 1271 . . . 6344 1 1396 . 1 1 119 119 GLY C C 13 170.5 0.2 . 1 . . . . 1272 . . . 6344 1 1397 . 1 1 119 119 GLY CA C 13 45.4 0.2 . 1 . . . . 1273 . . . 6344 1 1398 . 1 1 119 119 GLY N N 15 111.1 0.2 . 1 . . . . 1274 . . . 6344 1 1399 . 1 1 120 120 SER H H 1 8.39 0.02 . 1 . . . . 1275 . . . 6344 1 1400 . 1 1 120 120 SER HA H 1 5.55 0.02 . 1 . . . . 1276 . . . 6344 1 1401 . 1 1 120 120 SER HB2 H 1 3.78 0.02 . 1 . . . . 1277 . . . 6344 1 1402 . 1 1 120 120 SER HB3 H 1 3.78 0.02 . 1 . . . . 1278 . . . 6344 1 1403 . 1 1 120 120 SER C C 13 173.0 0.2 . 1 . . . . 1279 . . . 6344 1 1404 . 1 1 120 120 SER CA C 13 57.4 0.2 . 1 . . . . 1280 . . . 6344 1 1405 . 1 1 120 120 SER CB C 13 64.7 0.2 . 1 . . . . 1281 . . . 6344 1 1406 . 1 1 120 120 SER N N 15 118.4 0.2 . 1 . . . . 1282 . . . 6344 1 1407 . 1 1 121 121 ALA H H 1 9.06 0.02 . 1 . . . . 1283 . . . 6344 1 1408 . 1 1 121 121 ALA HA H 1 4.80 0.02 . 1 . . . . 1284 . . . 6344 1 1409 . 1 1 121 121 ALA HB1 H 1 1.25 0.02 . 1 . . . . 1285 . . . 6344 1 1410 . 1 1 121 121 ALA HB2 H 1 1.25 0.02 . 1 . . . . 1285 . . . 6344 1 1411 . 1 1 121 121 ALA HB3 H 1 1.25 0.02 . 1 . . . . 1285 . . . 6344 1 1412 . 1 1 121 121 ALA C C 13 175.5 0.2 . 1 . . . . 1286 . . . 6344 1 1413 . 1 1 121 121 ALA CA C 13 52.4 0.2 . 1 . . . . 1287 . . . 6344 1 1414 . 1 1 121 121 ALA CB C 13 23.9 0.2 . 1 . . . . 1288 . . . 6344 1 1415 . 1 1 121 121 ALA N N 15 122.1 0.2 . 1 . . . . 1289 . . . 6344 1 1416 . 1 1 122 122 THR H H 1 9.73 0.02 . 1 . . . . 1290 . . . 6344 1 1417 . 1 1 122 122 THR HA H 1 5.04 0.02 . 1 . . . . 1291 . . . 6344 1 1418 . 1 1 122 122 THR HB H 1 3.89 0.02 . 1 . . . . 1292 . . . 6344 1 1419 . 1 1 122 122 THR HG1 H 1 5.68 0.02 . 1 . . . . 1293 . . . 6344 1 1420 . 1 1 122 122 THR HG21 H 1 0.67 0.02 . 1 . . . . 1294 . . . 6344 1 1421 . 1 1 122 122 THR HG22 H 1 0.67 0.02 . 1 . . . . 1294 . . . 6344 1 1422 . 1 1 122 122 THR HG23 H 1 0.67 0.02 . 1 . . . . 1294 . . . 6344 1 1423 . 1 1 122 122 THR C C 13 176.9 0.2 . 1 . . . . 1295 . . . 6344 1 1424 . 1 1 122 122 THR CA C 13 62.4 0.2 . 1 . . . . 1296 . . . 6344 1 1425 . 1 1 122 122 THR CB C 13 68.7 0.2 . 1 . . . . 1297 . . . 6344 1 1426 . 1 1 122 122 THR CG2 C 13 22.9 0.2 . 1 . . . . 1298 . . . 6344 1 1427 . 1 1 122 122 THR N N 15 109.2 0.2 . 1 . . . . 1299 . . . 6344 1 1428 . 1 1 123 123 TYR H H 1 7.83 0.02 . 1 . . . . 1300 . . . 6344 1 1429 . 1 1 123 123 TYR HA H 1 5.67 0.02 . 1 . . . . 1301 . . . 6344 1 1430 . 1 1 123 123 TYR HB2 H 1 2.70 0.02 . 2 . . . . 1302 . . . 6344 1 1431 . 1 1 123 123 TYR HB3 H 1 3.00 0.02 . 2 . . . . 1303 . . . 6344 1 1432 . 1 1 123 123 TYR HD1 H 1 7.04 0.02 . 1 . . . . 1304 . . . 6344 1 1433 . 1 1 123 123 TYR HD2 H 1 7.04 0.02 . 1 . . . . 1305 . . . 6344 1 1434 . 1 1 123 123 TYR HE1 H 1 6.60 0.02 . 1 . . . . 1306 . . . 6344 1 1435 . 1 1 123 123 TYR HE2 H 1 6.60 0.02 . 1 . . . . 1307 . . . 6344 1 1436 . 1 1 123 123 TYR C C 13 175.5 0.2 . 1 . . . . 1308 . . . 6344 1 1437 . 1 1 123 123 TYR CA C 13 57.1 0.2 . 1 . . . . 1309 . . . 6344 1 1438 . 1 1 123 123 TYR CB C 13 45.4 0.2 . 1 . . . . 1310 . . . 6344 1 1439 . 1 1 123 123 TYR CD1 C 13 132.5 0.2 . 1 . . . . 1311 . . . 6344 1 1440 . 1 1 123 123 TYR CD2 C 13 132.5 0.2 . 1 . . . . 1312 . . . 6344 1 1441 . 1 1 123 123 TYR CE1 C 13 118.1 0.2 . 1 . . . . 1313 . . . 6344 1 1442 . 1 1 123 123 TYR CE2 C 13 118.1 0.2 . 1 . . . . 1314 . . . 6344 1 1443 . 1 1 123 123 TYR N N 15 119.3 0.2 . 1 . . . . 1315 . . . 6344 1 1444 . 1 1 124 124 LEU H H 1 8.91 0.02 . 1 . . . . 1316 . . . 6344 1 1445 . 1 1 124 124 LEU HA H 1 5.51 0.02 . 1 . . . . 1317 . . . 6344 1 1446 . 1 1 124 124 LEU HB2 H 1 1.33 0.02 . 2 . . . . 1318 . . . 6344 1 1447 . 1 1 124 124 LEU HB3 H 1 1.88 0.02 . 2 . . . . 1319 . . . 6344 1 1448 . 1 1 124 124 LEU HG H 1 1.91 0.02 . 1 . . . . 1320 . . . 6344 1 1449 . 1 1 124 124 LEU HD11 H 1 1.18 0.02 . 1 . . . . 1321 . . . 6344 1 1450 . 1 1 124 124 LEU HD12 H 1 1.18 0.02 . 1 . . . . 1321 . . . 6344 1 1451 . 1 1 124 124 LEU HD13 H 1 1.18 0.02 . 1 . . . . 1321 . . . 6344 1 1452 . 1 1 124 124 LEU HD21 H 1 1.06 0.02 . 1 . . . . 1322 . . . 6344 1 1453 . 1 1 124 124 LEU HD22 H 1 1.06 0.02 . 1 . . . . 1322 . . . 6344 1 1454 . 1 1 124 124 LEU HD23 H 1 1.06 0.02 . 1 . . . . 1322 . . . 6344 1 1455 . 1 1 124 124 LEU C C 13 174.3 0.2 . 1 . . . . 1323 . . . 6344 1 1456 . 1 1 124 124 LEU CA C 13 53.6 0.2 . 1 . . . . 1324 . . . 6344 1 1457 . 1 1 124 124 LEU CB C 13 47.7 0.2 . 1 . . . . 1325 . . . 6344 1 1458 . 1 1 124 124 LEU CG C 13 27.5 0.2 . 1 . . . . 1326 . . . 6344 1 1459 . 1 1 124 124 LEU CD1 C 13 26.9 0.2 . 1 . . . . 1327 . . . 6344 1 1460 . 1 1 124 124 LEU CD2 C 13 24.4 0.2 . 1 . . . . 1328 . . . 6344 1 1461 . 1 1 124 124 LEU N N 15 118.0 0.2 . 1 . . . . 1329 . . . 6344 1 1462 . 1 1 125 125 ARG H H 1 8.94 0.02 . 1 . . . . 1330 . . . 6344 1 1463 . 1 1 125 125 ARG HA H 1 4.64 0.02 . 1 . . . . 1331 . . . 6344 1 1464 . 1 1 125 125 ARG HB2 H 1 0.22 0.02 . 2 . . . . 1332 . . . 6344 1 1465 . 1 1 125 125 ARG HB3 H 1 1.04 0.02 . 2 . . . . 1333 . . . 6344 1 1466 . 1 1 125 125 ARG HG2 H 1 0.77 0.02 . 2 . . . . 1334 . . . 6344 1 1467 . 1 1 125 125 ARG HG3 H 1 0.85 0.02 . 2 . . . . 1335 . . . 6344 1 1468 . 1 1 125 125 ARG HD2 H 1 2.08 0.02 . 2 . . . . 1336 . . . 6344 1 1469 . 1 1 125 125 ARG HD3 H 1 2.43 0.02 . 2 . . . . 1337 . . . 6344 1 1470 . 1 1 125 125 ARG HE H 1 7.26 0.02 . 1 . . . . 1338 . . . 6344 1 1471 . 1 1 125 125 ARG C C 13 172.7 0.2 . 1 . . . . 1339 . . . 6344 1 1472 . 1 1 125 125 ARG CA C 13 54.8 0.2 . 1 . . . . 1340 . . . 6344 1 1473 . 1 1 125 125 ARG CB C 13 33.4 0.2 . 1 . . . . 1341 . . . 6344 1 1474 . 1 1 125 125 ARG CG C 13 26.0 0.2 . 1 . . . . 1342 . . . 6344 1 1475 . 1 1 125 125 ARG CD C 13 43.5 0.2 . 1 . . . . 1343 . . . 6344 1 1476 . 1 1 125 125 ARG N N 15 124.8 0.2 . 1 . . . . 1344 . . . 6344 1 1477 . 1 1 125 125 ARG NE N 15 84.23 0.2 . 1 . . . . 1345 . . . 6344 1 1478 . 1 1 126 126 PHE H H 1 8.93 0.02 . 1 . . . . 1346 . . . 6344 1 1479 . 1 1 126 126 PHE HA H 1 4.59 0.02 . 1 . . . . 1347 . . . 6344 1 1480 . 1 1 126 126 PHE HB2 H 1 1.46 0.02 . 2 . . . . 1348 . . . 6344 1 1481 . 1 1 126 126 PHE HB3 H 1 1.88 0.02 . 2 . . . . 1349 . . . 6344 1 1482 . 1 1 126 126 PHE HD1 H 1 6.88 0.02 . 1 . . . . 1350 . . . 6344 1 1483 . 1 1 126 126 PHE HD2 H 1 6.88 0.02 . 1 . . . . 1351 . . . 6344 1 1484 . 1 1 126 126 PHE HE1 H 1 7.14 0.02 . 3 . . . . 1352 . . . 6344 1 1485 . 1 1 126 126 PHE HE2 H 1 7.17 0.02 . 3 . . . . 1353 . . . 6344 1 1486 . 1 1 126 126 PHE HZ H 1 7.06 0.02 . 1 . . . . 1354 . . . 6344 1 1487 . 1 1 126 126 PHE C C 13 173.6 0.2 . 1 . . . . 1355 . . . 6344 1 1488 . 1 1 126 126 PHE CA C 13 56.6 0.2 . 1 . . . . 1356 . . . 6344 1 1489 . 1 1 126 126 PHE CB C 13 40.9 0.2 . 1 . . . . 1357 . . . 6344 1 1490 . 1 1 126 126 PHE CD1 C 13 131.8 0.2 . 1 . . . . 1358 . . . 6344 1 1491 . 1 1 126 126 PHE CD2 C 13 131.8 0.2 . 1 . . . . 1359 . . . 6344 1 1492 . 1 1 126 126 PHE CE1 C 13 130.5 0.2 . 1 . . . . 1360 . . . 6344 1 1493 . 1 1 126 126 PHE CE2 C 13 130.5 0.2 . 1 . . . . 1361 . . . 6344 1 1494 . 1 1 126 126 PHE CZ C 13 128.8 0.2 . 1 . . . . 1362 . . . 6344 1 1495 . 1 1 126 126 PHE N N 15 128.0 0.2 . 1 . . . . 1363 . . . 6344 1 1496 . 1 1 127 127 ILE H H 1 9.35 0.02 . 1 . . . . 1364 . . . 6344 1 1497 . 1 1 127 127 ILE HA H 1 4.62 0.02 . 1 . . . . 1365 . . . 6344 1 1498 . 1 1 127 127 ILE HB H 1 1.80 0.02 . 1 . . . . 1366 . . . 6344 1 1499 . 1 1 127 127 ILE HG12 H 1 0.72 0.02 . 2 . . . . 1367 . . . 6344 1 1500 . 1 1 127 127 ILE HG13 H 1 1.19 0.02 . 2 . . . . 1368 . . . 6344 1 1501 . 1 1 127 127 ILE HG21 H 1 0.82 0.02 . 1 . . . . 1369 . . . 6344 1 1502 . 1 1 127 127 ILE HG22 H 1 0.82 0.02 . 1 . . . . 1369 . . . 6344 1 1503 . 1 1 127 127 ILE HG23 H 1 0.82 0.02 . 1 . . . . 1369 . . . 6344 1 1504 . 1 1 127 127 ILE HD11 H 1 0.55 0.02 . 1 . . . . 1370 . . . 6344 1 1505 . 1 1 127 127 ILE HD12 H 1 0.55 0.02 . 1 . . . . 1370 . . . 6344 1 1506 . 1 1 127 127 ILE HD13 H 1 0.55 0.02 . 1 . . . . 1370 . . . 6344 1 1507 . 1 1 127 127 ILE C C 13 176.1 0.2 . 1 . . . . 1371 . . . 6344 1 1508 . 1 1 127 127 ILE CA C 13 60.5 0.2 . 1 . . . . 1372 . . . 6344 1 1509 . 1 1 127 127 ILE CB C 13 40.7 0.2 . 1 . . . . 1373 . . . 6344 1 1510 . 1 1 127 127 ILE CG1 C 13 27.4 0.2 . 1 . . . . 1374 . . . 6344 1 1511 . 1 1 127 127 ILE CG2 C 13 18.6 0.2 . 1 . . . . 1375 . . . 6344 1 1512 . 1 1 127 127 ILE CD1 C 13 14.4 0.2 . 1 . . . . 1376 . . . 6344 1 1513 . 1 1 127 127 ILE N N 15 121.2 0.2 . 1 . . . . 1377 . . . 6344 1 1514 . 1 1 128 128 ILE H H 1 9.76 0.02 . 1 . . . . 1378 . . . 6344 1 1515 . 1 1 128 128 ILE HA H 1 4.48 0.02 . 1 . . . . 1379 . . . 6344 1 1516 . 1 1 128 128 ILE HB H 1 2.30 0.02 . 1 . . . . 1380 . . . 6344 1 1517 . 1 1 128 128 ILE HG12 H 1 1.27 0.02 . 2 . . . . 1381 . . . 6344 1 1518 . 1 1 128 128 ILE HG13 H 1 1.93 0.02 . 2 . . . . 1382 . . . 6344 1 1519 . 1 1 128 128 ILE HG21 H 1 0.98 0.02 . 1 . . . . 1383 . . . 6344 1 1520 . 1 1 128 128 ILE HG22 H 1 0.98 0.02 . 1 . . . . 1383 . . . 6344 1 1521 . 1 1 128 128 ILE HG23 H 1 0.98 0.02 . 1 . . . . 1383 . . . 6344 1 1522 . 1 1 128 128 ILE HD11 H 1 1.26 0.02 . 1 . . . . 1384 . . . 6344 1 1523 . 1 1 128 128 ILE HD12 H 1 1.26 0.02 . 1 . . . . 1384 . . . 6344 1 1524 . 1 1 128 128 ILE HD13 H 1 1.26 0.02 . 1 . . . . 1384 . . . 6344 1 1525 . 1 1 128 128 ILE C C 13 174.8 0.2 . 1 . . . . 1385 . . . 6344 1 1526 . 1 1 128 128 ILE CA C 13 61.3 0.2 . 1 . . . . 1386 . . . 6344 1 1527 . 1 1 128 128 ILE CB C 13 37.7 0.2 . 1 . . . . 1387 . . . 6344 1 1528 . 1 1 128 128 ILE CG1 C 13 27.7 0.2 . 1 . . . . 1388 . . . 6344 1 1529 . 1 1 128 128 ILE CG2 C 13 20.2 0.2 . 1 . . . . 1389 . . . 6344 1 1530 . 1 1 128 128 ILE CD1 C 13 14.5 0.2 . 1 . . . . 1390 . . . 6344 1 1531 . 1 1 128 128 ILE N N 15 128.1 0.2 . 1 . . . . 1391 . . . 6344 1 1532 . 1 1 129 129 VAL H H 1 8.55 0.02 . 1 . . . . 1392 . . . 6344 1 1533 . 1 1 129 129 VAL HA H 1 3.65 0.02 . 1 . . . . 1393 . . . 6344 1 1534 . 1 1 129 129 VAL HB H 1 1.78 0.02 . 1 . . . . 1394 . . . 6344 1 1535 . 1 1 129 129 VAL HG11 H 1 0.96 0.02 . 2 . . . . 1395 . . . 6344 1 1536 . 1 1 129 129 VAL HG12 H 1 0.96 0.02 . 2 . . . . 1395 . . . 6344 1 1537 . 1 1 129 129 VAL HG13 H 1 0.96 0.02 . 2 . . . . 1395 . . . 6344 1 1538 . 1 1 129 129 VAL HG21 H 1 0.99 0.02 . 2 . . . . 1396 . . . 6344 1 1539 . 1 1 129 129 VAL HG22 H 1 0.99 0.02 . 2 . . . . 1396 . . . 6344 1 1540 . 1 1 129 129 VAL HG23 H 1 0.99 0.02 . 2 . . . . 1396 . . . 6344 1 1541 . 1 1 129 129 VAL C C 13 175.4 0.2 . 1 . . . . 1397 . . . 6344 1 1542 . 1 1 129 129 VAL CA C 13 65.4 0.2 . 1 . . . . 1398 . . . 6344 1 1543 . 1 1 129 129 VAL CB C 13 32.9 0.2 . 1 . . . . 1399 . . . 6344 1 1544 . 1 1 129 129 VAL CG1 C 13 20.7 0.2 . 2 . . . . 1400 . . . 6344 1 1545 . 1 1 129 129 VAL CG2 C 13 22.6 0.2 . 2 . . . . 1401 . . . 6344 1 1546 . 1 1 129 129 VAL N N 15 129.2 0.2 . 1 . . . . 1402 . . . 6344 1 1547 . 1 1 130 130 SER H H 1 7.59 0.02 . 1 . . . . 1403 . . . 6344 1 1548 . 1 1 130 130 SER HA H 1 4.10 0.02 . 1 . . . . 1404 . . . 6344 1 1549 . 1 1 130 130 SER HB2 H 1 3.66 0.02 . 1 . . . . 1405 . . . 6344 1 1550 . 1 1 130 130 SER HB3 H 1 3.66 0.02 . 1 . . . . 1406 . . . 6344 1 1551 . 1 1 130 130 SER C C 13 171.5 0.2 . 1 . . . . 1407 . . . 6344 1 1552 . 1 1 130 130 SER CA C 13 56.3 0.2 . 1 . . . . 1408 . . . 6344 1 1553 . 1 1 130 130 SER CB C 13 65.3 0.2 . 1 . . . . 1409 . . . 6344 1 1554 . 1 1 130 130 SER N N 15 107.7 0.2 . 1 . . . . 1410 . . . 6344 1 1555 . 1 1 131 131 ALA H H 1 8.30 0.02 . 1 . . . . 1411 . . . 6344 1 1556 . 1 1 131 131 ALA HA H 1 4.76 0.02 . 1 . . . . 1412 . . . 6344 1 1557 . 1 1 131 131 ALA HB1 H 1 0.76 0.02 . 1 . . . . 1413 . . . 6344 1 1558 . 1 1 131 131 ALA HB2 H 1 0.76 0.02 . 1 . . . . 1413 . . . 6344 1 1559 . 1 1 131 131 ALA HB3 H 1 0.76 0.02 . 1 . . . . 1413 . . . 6344 1 1560 . 1 1 131 131 ALA C C 13 176.2 0.2 . 1 . . . . 1414 . . . 6344 1 1561 . 1 1 131 131 ALA CA C 13 50.5 0.2 . 1 . . . . 1415 . . . 6344 1 1562 . 1 1 131 131 ALA CB C 13 24.9 0.2 . 1 . . . . 1416 . . . 6344 1 1563 . 1 1 131 131 ALA N N 15 123.0 0.2 . 1 . . . . 1417 . . . 6344 1 1564 . 1 1 132 132 PHE H H 1 8.67 0.02 . 1 . . . . 1418 . . . 6344 1 1565 . 1 1 132 132 PHE HA H 1 4.16 0.02 . 1 . . . . 1419 . . . 6344 1 1566 . 1 1 132 132 PHE HB2 H 1 1.96 0.02 . 2 . . . . 1420 . . . 6344 1 1567 . 1 1 132 132 PHE HB3 H 1 3.01 0.02 . 2 . . . . 1421 . . . 6344 1 1568 . 1 1 132 132 PHE HD1 H 1 6.84 0.02 . 1 . . . . 1422 . . . 6344 1 1569 . 1 1 132 132 PHE HD2 H 1 6.84 0.02 . 1 . . . . 1423 . . . 6344 1 1570 . 1 1 132 132 PHE HE1 H 1 7.35 0.02 . 1 . . . . 1424 . . . 6344 1 1571 . 1 1 132 132 PHE HE2 H 1 7.35 0.02 . 1 . . . . 1425 . . . 6344 1 1572 . 1 1 132 132 PHE HZ H 1 7.58 0.02 . 1 . . . . 1426 . . . 6344 1 1573 . 1 1 132 132 PHE C C 13 173.6 0.2 . 1 . . . . 1427 . . . 6344 1 1574 . 1 1 132 132 PHE CA C 13 59.2 0.2 . 1 . . . . 1428 . . . 6344 1 1575 . 1 1 132 132 PHE CB C 13 40.3 0.2 . 1 . . . . 1429 . . . 6344 1 1576 . 1 1 132 132 PHE CD1 C 13 131.1 0.2 . 1 . . . . 1430 . . . 6344 1 1577 . 1 1 132 132 PHE CD2 C 13 131.1 0.2 . 1 . . . . 1431 . . . 6344 1 1578 . 1 1 132 132 PHE CE1 C 13 132.3 0.2 . 1 . . . . 1432 . . . 6344 1 1579 . 1 1 132 132 PHE CE2 C 13 132.3 0.2 . 1 . . . . 1433 . . . 6344 1 1580 . 1 1 132 132 PHE CZ C 13 130.4 0.2 . 1 . . . . 1434 . . . 6344 1 1581 . 1 1 132 132 PHE N N 15 115.8 0.2 . 1 . . . . 1435 . . . 6344 1 1582 . 1 1 133 133 ASP H H 1 6.91 0.02 . 1 . . . . 1436 . . . 6344 1 1583 . 1 1 133 133 ASP HA H 1 4.26 0.02 . 1 . . . . 1437 . . . 6344 1 1584 . 1 1 133 133 ASP HB2 H 1 1.03 0.02 . 2 . . . . 1438 . . . 6344 1 1585 . 1 1 133 133 ASP HB3 H 1 1.59 0.02 . 2 . . . . 1439 . . . 6344 1 1586 . 1 1 133 133 ASP C C 13 175.6 0.2 . 1 . . . . 1440 . . . 6344 1 1587 . 1 1 133 133 ASP CA C 13 52.2 0.2 . 1 . . . . 1441 . . . 6344 1 1588 . 1 1 133 133 ASP CB C 13 42.9 0.2 . 1 . . . . 1442 . . . 6344 1 1589 . 1 1 133 133 ASP N N 15 118.6 0.2 . 1 . . . . 1443 . . . 6344 1 1590 . 1 1 134 134 HIS H H 1 10.96 0.02 . 1 . . . . 1444 . . . 6344 1 1591 . 1 1 134 134 HIS HA H 1 4.46 0.02 . 1 . . . . 1445 . . . 6344 1 1592 . 1 1 134 134 HIS HB2 H 1 3.24 0.02 . 1 . . . . 1446 . . . 6344 1 1593 . 1 1 134 134 HIS HB3 H 1 3.24 0.02 . 1 . . . . 1447 . . . 6344 1 1594 . 1 1 134 134 HIS HD2 H 1 7.30 0.02 . 1 . . . . 1448 . . . 6344 1 1595 . 1 1 134 134 HIS C C 13 172.8 0.2 . 1 . . . . 1449 . . . 6344 1 1596 . 1 1 134 134 HIS CA C 13 57.2 0.2 . 1 . . . . 1450 . . . 6344 1 1597 . 1 1 134 134 HIS CB C 13 29.3 0.2 . 1 . . . . 1451 . . . 6344 1 1598 . 1 1 134 134 HIS CD2 C 13 120.7 0.2 . 1 . . . . 1452 . . . 6344 1 1599 . 1 1 134 134 HIS N N 15 120.1 0.2 . 1 . . . . 1453 . . . 6344 1 1600 . 1 1 135 135 PHE H H 1 7.31 0.02 . 1 . . . . 1454 . . . 6344 1 1601 . 1 1 135 135 PHE HA H 1 4.70 0.02 . 1 . . . . 1455 . . . 6344 1 1602 . 1 1 135 135 PHE HB2 H 1 2.82 0.02 . 2 . . . . 1456 . . . 6344 1 1603 . 1 1 135 135 PHE HB3 H 1 3.10 0.02 . 2 . . . . 1457 . . . 6344 1 1604 . 1 1 135 135 PHE HD1 H 1 6.68 0.02 . 1 . . . . 1458 . . . 6344 1 1605 . 1 1 135 135 PHE HD2 H 1 6.68 0.02 . 1 . . . . 1459 . . . 6344 1 1606 . 1 1 135 135 PHE HE1 H 1 7.28 0.02 . 1 . . . . 1460 . . . 6344 1 1607 . 1 1 135 135 PHE HE2 H 1 7.28 0.02 . 1 . . . . 1461 . . . 6344 1 1608 . 1 1 135 135 PHE C C 13 170.1 0.2 . 1 . . . . 1462 . . . 6344 1 1609 . 1 1 135 135 PHE CA C 13 54.9 0.2 . 1 . . . . 1463 . . . 6344 1 1610 . 1 1 135 135 PHE CB C 13 41.1 0.2 . 1 . . . . 1464 . . . 6344 1 1611 . 1 1 135 135 PHE CD1 C 13 131.9 0.2 . 1 . . . . 1465 . . . 6344 1 1612 . 1 1 135 135 PHE CD2 C 13 131.9 0.2 . 1 . . . . 1466 . . . 6344 1 1613 . 1 1 135 135 PHE CE1 C 13 130.9 0.2 . 1 . . . . 1467 . . . 6344 1 1614 . 1 1 135 135 PHE CE2 C 13 130.9 0.2 . 1 . . . . 1468 . . . 6344 1 1615 . 1 1 135 135 PHE N N 15 116.4 0.2 . 1 . . . . 1469 . . . 6344 1 1616 . 1 1 136 136 ALA H H 1 8.38 0.02 . 1 . . . . 1470 . . . 6344 1 1617 . 1 1 136 136 ALA HA H 1 4.91 0.02 . 1 . . . . 1471 . . . 6344 1 1618 . 1 1 136 136 ALA HB1 H 1 1.51 0.02 . 1 . . . . 1472 . . . 6344 1 1619 . 1 1 136 136 ALA HB2 H 1 1.51 0.02 . 1 . . . . 1472 . . . 6344 1 1620 . 1 1 136 136 ALA HB3 H 1 1.51 0.02 . 1 . . . . 1472 . . . 6344 1 1621 . 1 1 136 136 ALA C C 13 175.6 0.2 . 1 . . . . 1473 . . . 6344 1 1622 . 1 1 136 136 ALA CA C 13 51.0 0.2 . 1 . . . . 1474 . . . 6344 1 1623 . 1 1 136 136 ALA CB C 13 23.3 0.2 . 1 . . . . 1475 . . . 6344 1 1624 . 1 1 136 136 ALA N N 15 117.2 0.2 . 1 . . . . 1476 . . . 6344 1 1625 . 1 1 137 137 SER H H 1 8.81 0.02 . 1 . . . . 1477 . . . 6344 1 1626 . 1 1 137 137 SER HA H 1 6.01 0.02 . 1 . . . . 1478 . . . 6344 1 1627 . 1 1 137 137 SER HB2 H 1 3.58 0.02 . 2 . . . . 1479 . . . 6344 1 1628 . 1 1 137 137 SER HB3 H 1 3.68 0.02 . 2 . . . . 1480 . . . 6344 1 1629 . 1 1 137 137 SER C C 13 173.8 0.2 . 1 . . . . 1481 . . . 6344 1 1630 . 1 1 137 137 SER CA C 13 56.6 0.2 . 1 . . . . 1482 . . . 6344 1 1631 . 1 1 137 137 SER CB C 13 67.0 0.2 . 1 . . . . 1483 . . . 6344 1 1632 . 1 1 137 137 SER N N 15 112.6 0.2 . 1 . . . . 1484 . . . 6344 1 1633 . 1 1 138 138 VAL H H 1 9.44 0.02 . 1 . . . . 1485 . . . 6344 1 1634 . 1 1 138 138 VAL HA H 1 4.57 0.02 . 1 . . . . 1486 . . . 6344 1 1635 . 1 1 138 138 VAL HB H 1 2.30 0.02 . 1 . . . . 1487 . . . 6344 1 1636 . 1 1 138 138 VAL HG11 H 1 1.02 0.02 . 1 . . . . 1488 . . . 6344 1 1637 . 1 1 138 138 VAL HG12 H 1 1.02 0.02 . 1 . . . . 1488 . . . 6344 1 1638 . 1 1 138 138 VAL HG13 H 1 1.02 0.02 . 1 . . . . 1488 . . . 6344 1 1639 . 1 1 138 138 VAL HG21 H 1 1.29 0.02 . 1 . . . . 1489 . . . 6344 1 1640 . 1 1 138 138 VAL HG22 H 1 1.29 0.02 . 1 . . . . 1489 . . . 6344 1 1641 . 1 1 138 138 VAL HG23 H 1 1.29 0.02 . 1 . . . . 1489 . . . 6344 1 1642 . 1 1 138 138 VAL CA C 13 62.9 0.2 . 1 . . . . 1490 . . . 6344 1 1643 . 1 1 138 138 VAL CB C 13 34.8 0.2 . 1 . . . . 1491 . . . 6344 1 1644 . 1 1 138 138 VAL CG1 C 13 22.9 0.2 . 1 . . . . 1492 . . . 6344 1 1645 . 1 1 138 138 VAL CG2 C 13 21.0 0.2 . 1 . . . . 1493 . . . 6344 1 1646 . 1 1 138 138 VAL N N 15 121.2 0.2 . 1 . . . . 1494 . . . 6344 1 1647 . 1 1 139 139 HIS H H 1 9.65 0.02 . 1 . . . . 1495 . . . 6344 1 1648 . 1 1 139 139 HIS HA H 1 4.81 0.02 . 1 . . . . 1496 . . . 6344 1 1649 . 1 1 139 139 HIS HD2 H 1 7.17 0.02 . 1 . . . . 1497 . . . 6344 1 1650 . 1 1 139 139 HIS C C 13 176.6 0.2 . 1 . . . . 1498 . . . 6344 1 1651 . 1 1 139 139 HIS CA C 13 57.9 0.2 . 1 . . . . 1499 . . . 6344 1 1652 . 1 1 139 139 HIS CD2 C 13 119.9 0.2 . 1 . . . . 1500 . . . 6344 1 1653 . 1 1 140 140 SER H H 1 8.36 0.02 . 1 . . . . 1501 . . . 6344 1 1654 . 1 1 140 140 SER HA H 1 5.53 0.02 . 1 . . . . 1502 . . . 6344 1 1655 . 1 1 140 140 SER HB2 H 1 3.74 0.02 . 2 . . . . 1503 . . . 6344 1 1656 . 1 1 140 140 SER HB3 H 1 3.94 0.02 . 2 . . . . 1504 . . . 6344 1 1657 . 1 1 140 140 SER C C 13 172.8 0.2 . 1 . . . . 1505 . . . 6344 1 1658 . 1 1 140 140 SER CA C 13 57.9 0.2 . 1 . . . . 1506 . . . 6344 1 1659 . 1 1 140 140 SER CB C 13 66.7 0.2 . 1 . . . . 1507 . . . 6344 1 1660 . 1 1 140 140 SER N N 15 114.5 0.2 . 1 . . . . 1508 . . . 6344 1 1661 . 1 1 141 141 VAL H H 1 7.46 0.02 . 1 . . . . 1509 . . . 6344 1 1662 . 1 1 141 141 VAL HA H 1 4.70 0.02 . 1 . . . . 1510 . . . 6344 1 1663 . 1 1 141 141 VAL HB H 1 1.57 0.02 . 1 . . . . 1511 . . . 6344 1 1664 . 1 1 141 141 VAL HG11 H 1 0.88 0.02 . 1 . . . . 1512 . . . 6344 1 1665 . 1 1 141 141 VAL HG12 H 1 0.88 0.02 . 1 . . . . 1512 . . . 6344 1 1666 . 1 1 141 141 VAL HG13 H 1 0.88 0.02 . 1 . . . . 1512 . . . 6344 1 1667 . 1 1 141 141 VAL HG21 H 1 0.69 0.02 . 1 . . . . 1513 . . . 6344 1 1668 . 1 1 141 141 VAL HG22 H 1 0.69 0.02 . 1 . . . . 1513 . . . 6344 1 1669 . 1 1 141 141 VAL HG23 H 1 0.69 0.02 . 1 . . . . 1513 . . . 6344 1 1670 . 1 1 141 141 VAL C C 13 173.9 0.2 . 1 . . . . 1514 . . . 6344 1 1671 . 1 1 141 141 VAL CA C 13 63.3 0.2 . 1 . . . . 1515 . . . 6344 1 1672 . 1 1 141 141 VAL CB C 13 34.7 0.2 . 1 . . . . 1516 . . . 6344 1 1673 . 1 1 141 141 VAL CG1 C 13 22.1 0.2 . 1 . . . . 1517 . . . 6344 1 1674 . 1 1 141 141 VAL CG2 C 13 22.3 0.2 . 1 . . . . 1518 . . . 6344 1 1675 . 1 1 141 141 VAL N N 15 122.8 0.2 . 1 . . . . 1519 . . . 6344 1 1676 . 1 1 142 142 SER H H 1 9.02 0.02 . 1 . . . . 1520 . . . 6344 1 1677 . 1 1 142 142 SER HA H 1 5.63 0.02 . 1 . . . . 1521 . . . 6344 1 1678 . 1 1 142 142 SER HB2 H 1 3.44 0.02 . 2 . . . . 1522 . . . 6344 1 1679 . 1 1 142 142 SER HB3 H 1 3.77 0.02 . 2 . . . . 1523 . . . 6344 1 1680 . 1 1 142 142 SER C C 13 172.8 0.2 . 1 . . . . 1524 . . . 6344 1 1681 . 1 1 142 142 SER CA C 13 56.9 0.2 . 1 . . . . 1525 . . . 6344 1 1682 . 1 1 142 142 SER CB C 13 67.0 0.2 . 1 . . . . 1526 . . . 6344 1 1683 . 1 1 142 142 SER N N 15 121.0 0.2 . 1 . . . . 1527 . . . 6344 1 1684 . 1 1 143 143 ALA H H 1 8.24 0.02 . 1 . . . . 1528 . . . 6344 1 1685 . 1 1 143 143 ALA HA H 1 5.62 0.02 . 1 . . . . 1529 . . . 6344 1 1686 . 1 1 143 143 ALA HB1 H 1 1.54 0.02 . 1 . . . . 1530 . . . 6344 1 1687 . 1 1 143 143 ALA HB2 H 1 1.54 0.02 . 1 . . . . 1530 . . . 6344 1 1688 . 1 1 143 143 ALA HB3 H 1 1.54 0.02 . 1 . . . . 1530 . . . 6344 1 1689 . 1 1 143 143 ALA C C 13 175.8 0.2 . 1 . . . . 1531 . . . 6344 1 1690 . 1 1 143 143 ALA CA C 13 51.0 0.2 . 1 . . . . 1532 . . . 6344 1 1691 . 1 1 143 143 ALA CB C 13 23.4 0.2 . 1 . . . . 1533 . . . 6344 1 1692 . 1 1 143 143 ALA N N 15 122.8 0.2 . 1 . . . . 1534 . . . 6344 1 1693 . 1 1 144 144 GLU H H 1 8.78 0.02 . 1 . . . . 1535 . . . 6344 1 1694 . 1 1 144 144 GLU HA H 1 5.06 0.02 . 1 . . . . 1536 . . . 6344 1 1695 . 1 1 144 144 GLU HB2 H 1 1.97 0.02 . 2 . . . . 1537 . . . 6344 1 1696 . 1 1 144 144 GLU HB3 H 1 2.08 0.02 . 2 . . . . 1538 . . . 6344 1 1697 . 1 1 144 144 GLU HG2 H 1 2.31 0.02 . 1 . . . . 1539 . . . 6344 1 1698 . 1 1 144 144 GLU HG3 H 1 2.31 0.02 . 1 . . . . 1540 . . . 6344 1 1699 . 1 1 144 144 GLU C C 13 176.3 0.2 . 1 . . . . 1541 . . . 6344 1 1700 . 1 1 144 144 GLU CA C 13 54.2 0.2 . 1 . . . . 1542 . . . 6344 1 1701 . 1 1 144 144 GLU CB C 13 33.0 0.2 . 1 . . . . 1543 . . . 6344 1 1702 . 1 1 144 144 GLU CG C 13 36.4 0.2 . 1 . . . . 1544 . . . 6344 1 1703 . 1 1 144 144 GLU N N 15 121.5 0.2 . 1 . . . . 1545 . . . 6344 1 1704 . 1 1 145 145 GLY H H 1 8.73 0.02 . 1 . . . . 1546 . . . 6344 1 1705 . 1 1 145 145 GLY HA2 H 1 3.95 0.02 . 2 . . . . 1547 . . . 6344 1 1706 . 1 1 145 145 GLY HA3 H 1 5.21 0.02 . 2 . . . . 1548 . . . 6344 1 1707 . 1 1 145 145 GLY C C 13 172.0 0.2 . 1 . . . . 1549 . . . 6344 1 1708 . 1 1 145 145 GLY CA C 13 46.0 0.2 . 1 . . . . 1550 . . . 6344 1 1709 . 1 1 145 145 GLY N N 15 110.8 0.2 . 1 . . . . 1551 . . . 6344 1 1710 . 1 1 146 146 THR H H 1 8.74 0.02 . 1 . . . . 1552 . . . 6344 1 1711 . 1 1 146 146 THR HA H 1 4.84 0.02 . 1 . . . . 1553 . . . 6344 1 1712 . 1 1 146 146 THR HB H 1 4.08 0.02 . 1 . . . . 1554 . . . 6344 1 1713 . 1 1 146 146 THR HG21 H 1 1.19 0.02 . 1 . . . . 1555 . . . 6344 1 1714 . 1 1 146 146 THR HG22 H 1 1.19 0.02 . 1 . . . . 1555 . . . 6344 1 1715 . 1 1 146 146 THR HG23 H 1 1.19 0.02 . 1 . . . . 1555 . . . 6344 1 1716 . 1 1 146 146 THR C C 13 172.8 0.2 . 1 . . . . 1556 . . . 6344 1 1717 . 1 1 146 146 THR CA C 13 59.9 0.2 . 1 . . . . 1557 . . . 6344 1 1718 . 1 1 146 146 THR CB C 13 72.4 0.2 . 1 . . . . 1558 . . . 6344 1 1719 . 1 1 146 146 THR CG2 C 13 21.9 0.2 . 1 . . . . 1559 . . . 6344 1 1720 . 1 1 146 146 THR N N 15 113.7 0.2 . 1 . . . . 1560 . . . 6344 1 1721 . 1 1 147 147 VAL H H 1 8.69 0.02 . 1 . . . . 1561 . . . 6344 1 1722 . 1 1 147 147 VAL HA H 1 4.08 0.02 . 1 . . . . 1562 . . . 6344 1 1723 . 1 1 147 147 VAL HB H 1 2.03 0.02 . 1 . . . . 1563 . . . 6344 1 1724 . 1 1 147 147 VAL HG11 H 1 0.92 0.02 . 2 . . . . 1564 . . . 6344 1 1725 . 1 1 147 147 VAL HG12 H 1 0.92 0.02 . 2 . . . . 1564 . . . 6344 1 1726 . 1 1 147 147 VAL HG13 H 1 0.92 0.02 . 2 . . . . 1564 . . . 6344 1 1727 . 1 1 147 147 VAL HG21 H 1 0.97 0.02 . 2 . . . . 1565 . . . 6344 1 1728 . 1 1 147 147 VAL HG22 H 1 0.97 0.02 . 2 . . . . 1565 . . . 6344 1 1729 . 1 1 147 147 VAL HG23 H 1 0.97 0.02 . 2 . . . . 1565 . . . 6344 1 1730 . 1 1 147 147 VAL C C 13 176.1 0.2 . 1 . . . . 1566 . . . 6344 1 1731 . 1 1 147 147 VAL CA C 13 63.4 0.2 . 1 . . . . 1567 . . . 6344 1 1732 . 1 1 147 147 VAL CB C 13 32.8 0.2 . 1 . . . . 1568 . . . 6344 1 1733 . 1 1 147 147 VAL CG1 C 13 21.6 0.2 . 2 . . . . 1569 . . . 6344 1 1734 . 1 1 147 147 VAL CG2 C 13 21.3 0.2 . 2 . . . . 1570 . . . 6344 1 1735 . 1 1 147 147 VAL N N 15 122.7 0.2 . 1 . . . . 1571 . . . 6344 1 1736 . 1 1 148 148 VAL H H 1 8.83 0.02 . 1 . . . . 1572 . . . 6344 1 1737 . 1 1 148 148 VAL HA H 1 3.95 0.02 . 1 . . . . 1573 . . . 6344 1 1738 . 1 1 148 148 VAL HB H 1 1.64 0.02 . 1 . . . . 1574 . . . 6344 1 1739 . 1 1 148 148 VAL HG11 H 1 0.71 0.02 . 1 . . . . 1575 . . . 6344 1 1740 . 1 1 148 148 VAL HG12 H 1 0.71 0.02 . 1 . . . . 1575 . . . 6344 1 1741 . 1 1 148 148 VAL HG13 H 1 0.71 0.02 . 1 . . . . 1575 . . . 6344 1 1742 . 1 1 148 148 VAL HG21 H 1 0.59 0.02 . 1 . . . . 1576 . . . 6344 1 1743 . 1 1 148 148 VAL HG22 H 1 0.59 0.02 . 1 . . . . 1576 . . . 6344 1 1744 . 1 1 148 148 VAL HG23 H 1 0.59 0.02 . 1 . . . . 1576 . . . 6344 1 1745 . 1 1 148 148 VAL C C 13 176.0 0.2 . 1 . . . . 1577 . . . 6344 1 1746 . 1 1 148 148 VAL CA C 13 63.5 0.2 . 1 . . . . 1578 . . . 6344 1 1747 . 1 1 148 148 VAL CB C 13 32.3 0.2 . 1 . . . . 1579 . . . 6344 1 1748 . 1 1 148 148 VAL CG1 C 13 21.0 0.2 . 1 . . . . 1580 . . . 6344 1 1749 . 1 1 148 148 VAL CG2 C 13 21.1 0.2 . 1 . . . . 1581 . . . 6344 1 1750 . 1 1 148 148 VAL N N 15 128.4 0.2 . 1 . . . . 1582 . . . 6344 1 1751 . 1 1 149 149 SER H H 1 8.15 0.02 . 1 . . . . 1583 . . . 6344 1 1752 . 1 1 149 149 SER HA H 1 4.57 0.02 . 1 . . . . 1584 . . . 6344 1 1753 . 1 1 149 149 SER HB2 H 1 3.83 0.02 . 2 . . . . 1585 . . . 6344 1 1754 . 1 1 149 149 SER HB3 H 1 3.94 0.02 . 2 . . . . 1586 . . . 6344 1 1755 . 1 1 149 149 SER C C 13 173.7 0.2 . 1 . . . . 1587 . . . 6344 1 1756 . 1 1 149 149 SER CA C 13 58.1 0.2 . 1 . . . . 1588 . . . 6344 1 1757 . 1 1 149 149 SER CB C 13 64.6 0.2 . 1 . . . . 1589 . . . 6344 1 1758 . 1 1 149 149 SER N N 15 116.2 0.2 . 1 . . . . 1590 . . . 6344 1 1759 . 1 1 150 150 ASN H H 1 8.65 0.02 . 1 . . . . 1591 . . . 6344 1 1760 . 1 1 150 150 ASN HA H 1 4.81 0.02 . 1 . . . . 1592 . . . 6344 1 1761 . 1 1 150 150 ASN HB2 H 1 2.81 0.02 . 2 . . . . 1593 . . . 6344 1 1762 . 1 1 150 150 ASN HB3 H 1 2.89 0.02 . 2 . . . . 1594 . . . 6344 1 1763 . 1 1 150 150 ASN HD21 H 1 7.62 0.02 . 1 . . . . 1595 . . . 6344 1 1764 . 1 1 150 150 ASN HD22 H 1 6.92 0.02 . 1 . . . . 1596 . . . 6344 1 1765 . 1 1 150 150 ASN C C 13 175.1 0.2 . 1 . . . . 1597 . . . 6344 1 1766 . 1 1 150 150 ASN CA C 13 53.5 0.2 . 1 . . . . 1598 . . . 6344 1 1767 . 1 1 150 150 ASN CB C 13 38.9 0.2 . 1 . . . . 1599 . . . 6344 1 1768 . 1 1 150 150 ASN CG C 13 176.8 0.2 . 1 . . . . 1600 . . . 6344 1 1769 . 1 1 150 150 ASN N N 15 120.9 0.2 . 1 . . . . 1601 . . . 6344 1 1770 . 1 1 150 150 ASN ND2 N 15 112.3 0.2 . 1 . . . . 1602 . . . 6344 1 1771 . 1 1 151 151 LEU H H 1 8.30 0.02 . 1 . . . . 1603 . . . 6344 1 1772 . 1 1 151 151 LEU HA H 1 4.46 0.02 . 1 . . . . 1604 . . . 6344 1 1773 . 1 1 151 151 LEU HB2 H 1 1.59 0.02 . 1 . . . . 1605 . . . 6344 1 1774 . 1 1 151 151 LEU HB3 H 1 1.59 0.02 . 1 . . . . 1606 . . . 6344 1 1775 . 1 1 151 151 LEU HG H 1 1.57 0.02 . 1 . . . . 1607 . . . 6344 1 1776 . 1 1 151 151 LEU HD11 H 1 0.87 0.02 . 1 . . . . 1608 . . . 6344 1 1777 . 1 1 151 151 LEU HD12 H 1 0.87 0.02 . 1 . . . . 1608 . . . 6344 1 1778 . 1 1 151 151 LEU HD13 H 1 0.87 0.02 . 1 . . . . 1608 . . . 6344 1 1779 . 1 1 151 151 LEU HD21 H 1 0.84 0.02 . 1 . . . . 1609 . . . 6344 1 1780 . 1 1 151 151 LEU HD22 H 1 0.84 0.02 . 1 . . . . 1609 . . . 6344 1 1781 . 1 1 151 151 LEU HD23 H 1 0.84 0.02 . 1 . . . . 1609 . . . 6344 1 1782 . 1 1 151 151 LEU C C 13 177.0 0.2 . 1 . . . . 1610 . . . 6344 1 1783 . 1 1 151 151 LEU CA C 13 55.3 0.2 . 1 . . . . 1611 . . . 6344 1 1784 . 1 1 151 151 LEU CB C 13 42.4 0.2 . 1 . . . . 1612 . . . 6344 1 1785 . 1 1 151 151 LEU CG C 13 27.3 0.2 . 1 . . . . 1613 . . . 6344 1 1786 . 1 1 151 151 LEU CD1 C 13 25.0 0.2 . 1 . . . . 1614 . . . 6344 1 1787 . 1 1 151 151 LEU CD2 C 13 23.4 0.2 . 1 . . . . 1615 . . . 6344 1 1788 . 1 1 151 151 LEU N N 15 121.7 0.2 . 1 . . . . 1616 . . . 6344 1 1789 . 1 1 152 152 SER H H 1 8.30 0.02 . 1 . . . . 1617 . . . 6344 1 1790 . 1 1 152 152 SER HA H 1 4.51 0.02 . 1 . . . . 1618 . . . 6344 1 1791 . 1 1 152 152 SER HB2 H 1 3.91 0.02 . 1 . . . . 1619 . . . 6344 1 1792 . 1 1 152 152 SER HB3 H 1 3.91 0.02 . 1 . . . . 1620 . . . 6344 1 1793 . 1 1 152 152 SER C C 13 173.6 0.2 . 1 . . . . 1621 . . . 6344 1 1794 . 1 1 152 152 SER CA C 13 64.1 0.2 . 1 . . . . 1622 . . . 6344 1 1795 . 1 1 152 152 SER CB C 13 58.5 0.2 . 1 . . . . 1623 . . . 6344 1 1796 . 1 1 152 152 SER N N 15 116.7 0.2 . 1 . . . . 1624 . . . 6344 1 1797 . 1 1 153 153 SER H H 1 7.99 0.02 . 1 . . . . 1625 . . . 6344 1 1798 . 1 1 153 153 SER HA H 1 4.30 0.02 . 1 . . . . 1626 . . . 6344 1 1799 . 1 1 153 153 SER HB2 H 1 3.88 0.02 . 1 . . . . 1627 . . . 6344 1 1800 . 1 1 153 153 SER HB3 H 1 3.88 0.02 . 1 . . . . 1628 . . . 6344 1 1801 . 1 1 153 153 SER CA C 13 60.1 0.2 . 1 . . . . 1629 . . . 6344 1 1802 . 1 1 153 153 SER CB C 13 64.7 0.2 . 1 . . . . 1630 . . . 6344 1 1803 . 1 1 153 153 SER N N 15 123.0 0.2 . 1 . . . . 1631 . . . 6344 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy_peak_list _Spectral_peak_list.Entry_ID 6344 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID . _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID . _Spectral_peak_list.Sample_condition_list_label $sample_conditions _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name '3D 15N-edited NOESY-HSQC' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details 750MHz _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 122.431 8.255 8.021 308189 121.430 8.397 9.120 129649 126.132 7.463 8.364 172636 124.628 3.750 8.446 326299 124.628 3.750 8.446 326299 124.682 7.486 8.438 116985 117.406 7.852 7.847 607051 117.445 7.285 7.838 530738 115.866 10.792 7.651 124274 120.212 0.920 10.967 84884 113.618 4.808 7.852 296769 109.176 4.808 7.392 1363162 109.181 6.282 7.373 -87789 109.154 6.118 7.396 267944 120.954 7.519 8.422 453740 120.905 7.518 8.551 269581 120.836 7.347 8.555 204457 119.494 0.982 8.408 101830 119.646 6.592 8.464 161895 119.810 8.409 8.396 416773 125.357 6.978 9.429 174527 124.255 6.991 7.368 376300 112.570 7.141 7.808 281069 112.566 6.981 7.805 308966 118.629 7.063 8.576 70205 119.479 6.670 8.879 158218 119.438 6.801 8.879 221497 127.890 9.246 9.088 84854 125.061 5.394 8.859 90316 123.241 7.482 8.880 198729 120.972 6.998 9.050 119415 116.941 6.898 8.974 132890 117.200 7.114 8.371 153300 116.921 6.943 8.387 318255 115.882 8.196 8.853 136815 117.109 6.119 8.377 245813 122.119 5.028 9.177 -104833 121.857 6.967 9.223 212899 119.599 6.961 8.525 92961 127.978 4.806 8.422 151553 125.181 9.127 8.665 127605 123.804 7.481 8.608 81161 124.770 0.684 7.218 143369 124.647 4.808 7.231 140287 122.110 6.931 9.063 265304 119.262 6.963 7.829 152400 117.859 6.968 8.917 356711 117.859 6.698 8.930 96374 124.635 6.938 8.934 304073 127.929 6.966 8.920 273295 127.897 6.814 8.911 264560 121.247 5.261 9.326 109868 121.156 6.794 9.352 162294 121.193 6.984 9.360 154541 129.283 4.231 8.522 136900 129.307 8.836 8.548 94177 123.231 1.803 7.952 82599 122.927 1.653 7.999 831734 116.695 7.829 8.314 152118 121.579 4.138 8.317 122155 121.746 7.817 8.306 328105 120.979 8.061 8.676 59720 113.490 5.531 8.725 73414 113.680 6.796 8.748 77482 122.627 4.804 7.458 708724 114.453 3.474 8.356 138950 114.453 3.474 8.356 138950 122.907 4.809 8.001 5499495 112.640 4.826 8.810 434964 119.652 1.332 9.509 55307 127.086 8.013 8.010 1111866 117.402 6.936 8.510 212043 117.364 6.805 8.516 150203 119.655 6.697 8.210 188268 120.016 2.953 8.172 94318 116.363 6.814 7.301 280221 116.318 6.621 7.301 254944 109.851 8.573 8.561 514001 109.791 4.811 8.559 271600 109.929 2.515 8.561 85756 109.893 0.898 8.568 98478 128.470 7.563 9.857 1405068 128.488 7.371 9.862 1416352 128.800 8.991 9.875 61848 111.232 6.400 6.638 395269 111.141 6.093 7.258 75538 112.351 2.015 6.789 385375 112.326 2.018 7.687 551274 112.349 9.301 7.602 70951 110.943 5.477 6.632 63906 110.077 7.444 6.570 144343 110.171 7.476 6.492 112609 110.329 7.666 6.572 89955 130.436 8.444 9.647 78112 118.650 0.792 7.243 123328 118.571 2.722 7.244 164840 118.676 3.053 7.244 93540 118.525 4.603 7.253 91013 118.600 4.958 7.240 73808 118.503 6.728 7.250 116017 118.569 7.256 7.244 386439 118.564 9.201 7.255 82589 119.630 10.413 8.356 74115 119.627 9.226 8.349 94421 119.694 3.586 8.323 76822 119.610 2.436 8.346 72927 119.799 1.373 8.316 105716 119.725 3.998 8.315 53197 119.623 3.979 8.350 65584 119.799 8.916 8.195 61636 121.212 8.887 7.900 120312 121.825 2.082 8.669 105489 121.522 1.941 8.677 69458 121.790 4.811 8.675 238190 121.504 4.808 8.654 460235 121.690 8.039 8.674 74911 121.926 9.894 8.663 75711 124.610 5.300 7.248 168195 124.642 7.239 7.231 243558 109.160 7.968 7.964 150200 125.369 4.825 9.169 226912 126.578 4.766 9.016 162539 126.479 4.867 9.013 210451 115.981 7.479 8.307 170248 116.443 1.853 8.380 226517 114.486 6.718 7.254 138164 113.180 8.379 7.777 100374 113.153 8.166 8.746 92037 115.461 2.061 8.956 254349 115.381 2.313 8.948 216944 115.461 8.947 8.948 205179 115.498 1.720 8.958 97297 115.584 3.942 8.943 141704 123.123 0.705 9.083 155958 120.879 4.819 8.327 217334 120.937 2.101 8.304 258426 125.525 0.526 9.022 133687 125.770 0.245 9.027 77524 111.213 6.422 7.262 497057 127.911 2.075 8.923 107186 122.601 4.806 8.246 1209780 120.051 0.958 10.942 83612 120.018 4.804 10.958 158416 110.703 7.632 8.765 106448 122.999 1.790 7.997 152436 124.241 7.144 7.371 359872 115.862 4.807 7.648 687159 124.283 1.058 7.362 142129 125.470 0.541 9.050 115818 112.403 0.848 6.834 205045 125.043 0.655 8.664 212197 129.245 4.796 8.827 106995 121.679 3.156 8.308 161155 120.927 7.333 8.422 424516 116.094 7.857 8.864 127350 128.533 9.023 9.860 91772 117.193 8.973 7.495 162045 117.265 2.537 7.519 93583 117.117 1.808 7.508 105733 117.117 1.808 7.508 105733 117.044 4.614 7.499 90549 117.040 2.627 7.494 110709 117.294 7.286 7.290 680974 117.431 7.846 7.285 484566 117.267 4.249 7.287 131133 117.545 3.888 7.287 99151 117.403 1.667 7.285 102368 117.456 2.035 7.860 82951 117.519 8.299 7.291 104022 109.747 7.194 6.488 252404 109.599 7.217 7.198 290973 109.615 6.481 7.192 182896 109.674 6.308 7.189 177982 109.720 2.070 7.183 60939 109.565 0.808 7.191 63707 109.641 2.081 6.489 58492 116.737 4.096 8.944 155876 121.088 4.803 8.255 6322267 123.696 8.075 8.478 158129 117.199 0.234 7.106 107589 120.804 0.754 8.309 481145 115.617 7.366 7.815 102171 117.614 4.803 7.439 748527 110.449 4.808 8.868 944487 131.175 7.485 10.403 461819 118.217 7.846 8.294 247900 127.775 5.418 9.060 91151 115.948 9.208 8.858 92441 125.541 4.806 9.035 319515 125.002 5.391 8.654 105326 117.127 10.895 8.381 91201 113.958 4.797 8.292 256909 113.723 0.219 8.311 76369 131.151 0.726 10.398 97043 124.193 9.191 8.763 64046 121.457 2.624 9.060 124973 121.448 2.480 9.054 103042 121.515 -0.500 9.060 65177 120.787 7.320 6.483 77819 127.812 8.675 9.088 97551 114.224 2.894 8.358 172727 125.222 4.426 9.167 110284 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111.093 9.856 8.319 89170 111.038 6.786 8.308 349052 111.030 5.800 8.314 2907289 111.020 3.228 8.314 1203504 111.021 8.315 8.312 6386916 111.015 3.473 8.316 802246 111.012 4.119 8.314 980035 118.565 1.460 8.410 111244 118.418 0.800 8.403 86444 118.395 -0.467 8.408 114659 118.461 0.979 8.403 210810 118.330 2.290 8.406 89421 118.423 3.468 8.408 720950 118.426 4.119 8.406 763996 118.435 8.408 8.406 1365238 118.495 5.549 8.409 194635 118.393 3.795 8.407 734575 118.426 9.056 8.409 279719 118.457 4.807 8.408 2182906 118.355 1.256 8.401 111263 122.029 8.896 9.062 733475 122.030 -0.139 9.063 564638 122.029 4.697 9.058 573200 121.975 0.784 9.065 302443 121.980 0.992 9.065 436637 121.943 8.410 9.065 158941 122.036 5.538 9.059 1712614 122.027 3.802 9.061 1004702 122.029 9.064 9.061 4186830 122.030 4.799 9.058 904392 122.035 1.251 9.062 1096076 122.100 9.722 9.074 109881 121.995 0.567 9.066 173083 109.091 8.896 9.734 78684 109.123 4.495 9.712 78688 109.078 0.996 9.730 370003 109.083 1.251 9.724 373806 109.057 9.724 9.724 475179 109.102 5.039 9.723 108433 109.005 3.897 9.711 85299 109.035 5.680 9.735 125594 109.119 0.669 9.724 196064 109.040 7.833 9.729 391327 109.059 4.801 9.726 774108 119.157 8.407 7.828 229418 119.236 1.009 7.833 518234 119.218 1.242 7.831 776054 119.216 9.730 7.832 845830 119.280 5.012 7.829 216385 119.255 3.899 7.846 102514 119.278 0.677 7.832 342268 119.270 7.834 7.833 2083088 119.225 5.672 7.827 385130 119.262 2.690 7.834 148492 119.103 2.978 7.836 165156 119.257 7.018 7.833 146120 119.223 8.913 7.842 165965 119.233 4.798 7.833 985576 117.839 9.423 8.917 323422 117.869 1.557 8.920 333768 117.825 0.244 8.920 164136 117.834 4.359 8.911 90939 117.862 5.684 8.913 1155630 117.989 3.011 8.917 255245 117.796 5.509 8.905 308217 117.860 1.066 8.918 910341 117.834 8.923 8.915 1984822 117.835 1.884 8.917 403202 124.602 4.959 8.933 102313 124.670 0.453 8.927 188349 124.622 9.430 8.938 318529 124.642 2.072 8.932 230513 124.674 5.675 8.940 250899 124.657 5.494 8.935 728427 124.704 1.311 8.925 196587 124.552 1.874 8.916 252658 124.649 4.620 8.946 107964 124.740 0.239 8.921 129936 124.640 0.213 8.935 138177 124.616 0.802 8.931 405840 124.616 1.051 8.935 908932 124.658 8.938 8.937 1587292 114.605 2.087 7.258 152052 114.605 2.441 7.258 91770 114.486 7.263 7.260 405014 114.486 0.799 7.260 205262 114.605 0.575 7.262 94901 127.856 8.275 8.912 99459 127.898 5.374 8.919 214293 128.041 0.645 8.909 183998 127.931 0.206 8.918 71684 127.921 0.810 8.921 446294 127.907 1.461 8.919 408679 127.914 1.871 8.918 445680 127.841 9.404 8.923 190708 127.916 8.926 8.919 1092112 127.901 4.626 8.922 620967 127.868 1.027 8.921 299545 121.116 0.946 9.352 665663 121.147 4.956 9.353 226894 121.168 8.927 9.350 141325 121.135 1.442 9.352 288848 121.153 1.820 9.351 679031 121.117 0.549 9.354 647858 121.118 1.195 9.352 519486 121.136 0.838 9.353 578358 121.160 9.785 9.364 76021 121.108 4.584 9.351 1296097 121.107 9.365 9.352 2106492 127.929 6.031 9.768 208807 128.050 8.255 9.779 115076 127.997 9.375 9.775 114190 127.968 4.593 9.768 656769 127.987 0.839 9.767 530453 128.001 9.772 9.770 817268 128.041 2.290 9.768 218981 127.968 1.915 9.767 395865 127.999 0.970 9.769 488225 127.978 1.251 9.769 399047 127.938 8.562 9.766 193746 129.209 7.180 8.557 103465 129.117 5.335 8.550 238883 129.314 9.409 8.558 82246 129.138 4.483 8.553 541879 129.116 1.215 8.553 220784 129.124 8.557 8.554 822112 129.131 3.660 8.554 388253 129.122 1.769 8.552 444355 129.138 7.595 8.554 433758 129.363 4.146 8.561 67017 129.131 0.974 8.554 1660841 107.629 7.177 7.601 339585 107.693 5.350 7.591 77220 107.733 4.477 7.593 270924 107.643 8.555 7.598 629020 107.669 1.763 7.600 475302 107.631 0.975 7.598 1794934 107.660 7.600 7.598 2067462 107.606 4.101 7.597 289947 107.660 8.306 7.591 194653 107.752 4.807 7.599 264780 107.645 3.658 7.600 837193 122.772 -0.138 8.302 79003 122.796 7.171 8.307 69379 122.888 7.596 8.304 202705 122.894 3.666 8.303 1485105 122.910 0.762 8.304 1210205 122.924 6.942 8.305 135635 122.988 4.129 8.307 2245432 115.733 4.006 8.670 59829 115.728 3.374 8.688 63354 115.877 8.872 8.695 74141 115.666 7.986 8.676 76307 116.045 1.383 8.689 55365 115.623 4.765 8.673 212410 115.701 0.758 8.678 500402 115.745 8.676 8.676 411228 115.810 4.151 8.674 159258 115.747 1.947 8.678 136514 115.665 3.010 8.670 130993 115.724 6.916 8.673 270207 115.669 0.978 8.690 100935 115.863 1.501 8.680 80859 118.471 3.336 6.910 125434 118.663 3.743 6.905 119599 118.580 8.318 6.917 81955 118.482 4.783 6.907 188095 118.479 0.765 6.912 1156269 118.466 8.677 6.911 376654 118.717 1.961 6.905 90736 118.584 3.006 6.897 59923 118.491 6.910 6.911 2837372 118.503 4.237 6.912 685644 118.494 0.980 6.908 316020 118.494 1.566 6.913 225534 118.451 7.294 6.914 127328 120.212 8.698 10.940 75890 119.874 4.256 10.975 99252 119.933 1.608 10.968 87851 120.047 10.973 10.969 198353 120.006 4.456 10.971 105696 120.012 3.245 10.974 171593 120.028 7.292 10.964 120554 116.381 0.785 7.304 346701 116.371 6.927 7.305 348008 116.332 4.269 7.302 247065 116.391 1.007 7.303 490185 116.339 1.582 7.304 598513 116.360 10.972 7.304 712874 116.373 4.473 7.301 525797 116.353 3.242 7.302 595191 116.361 7.304 7.303 5352934 116.361 4.717 7.302 285908 116.321 2.819 7.298 229215 116.334 8.382 7.306 233821 117.157 4.683 8.379 328979 117.104 2.834 8.379 400388 117.230 3.103 8.377 303253 112.526 1.226 8.807 185931 112.569 9.456 8.807 277622 120.964 6.015 9.461 89780 120.913 9.459 9.450 236544 120.803 2.278 9.451 85433 121.012 1.019 9.464 82358 120.984 1.271 9.456 121264 114.331 8.834 8.360 210890 114.219 2.101 8.362 247816 114.217 2.291 8.348 83008 114.219 4.572 8.361 158731 114.296 1.030 8.361 502168 114.448 1.300 8.353 87366 114.313 9.651 8.364 294992 114.318 4.803 8.365 144272 114.339 8.365 8.363 881899 114.228 5.523 8.363 124208 114.189 3.738 8.362 136187 114.383 0.672 8.354 96711 122.655 3.397 7.457 139767 122.657 0.645 7.456 1034984 122.605 1.030 7.453 197221 122.722 8.367 7.459 130303 122.661 5.536 7.456 1322401 122.649 3.738 7.454 252045 122.657 3.935 7.453 364115 122.651 7.460 7.456 2593293 122.652 1.569 7.454 419646 122.648 0.864 7.458 412239 122.667 9.043 7.446 139533 120.942 8.857 9.032 752071 120.924 4.701 9.035 964967 120.944 0.871 9.035 1086494 120.960 0.688 9.036 320167 120.935 5.621 9.036 293846 120.933 3.441 9.036 120151 120.963 3.773 9.040 151084 120.987 8.249 9.038 95272 122.654 5.109 8.235 398643 122.640 9.103 8.236 381120 122.770 3.683 8.237 464704 122.891 1.840 8.240 401559 122.811 0.863 8.241 372585 122.676 1.122 8.233 99957 122.616 3.441 8.234 364087 122.667 8.243 8.235 2855146 122.634 1.518 8.234 1487966 122.626 8.823 8.234 827383 122.614 5.636 8.234 1495528 121.410 1.209 8.779 257654 121.401 9.299 8.781 140312 121.416 7.639 8.778 361605 121.420 8.254 8.776 138654 121.396 5.612 8.779 1541829 121.391 1.524 8.778 1080599 121.399 8.782 8.779 3133754 121.370 5.060 8.778 542637 121.393 1.973 8.780 581426 121.393 2.300 8.778 583279 110.725 8.502 8.754 133841 110.734 8.320 8.757 107975 110.723 1.849 8.754 541385 110.737 9.122 8.758 192993 110.812 1.510 8.751 280230 110.711 0.461 8.757 510831 110.759 0.706 8.761 185151 110.727 9.311 8.761 92310 110.733 5.064 8.756 2520390 110.764 1.955 8.759 569561 110.752 2.080 8.754 685717 110.698 3.953 8.756 799243 110.665 4.827 8.755 354341 110.708 0.880 8.756 214148 110.727 2.294 8.757 868894 110.731 8.762 8.759 4912611 113.587 0.464 8.743 623197 113.676 0.705 8.743 172517 113.655 1.802 8.743 577288 113.616 9.169 8.746 578884 113.631 1.459 8.743 427969 113.635 3.954 8.743 1445216 113.625 5.210 8.743 1312180 113.624 4.825 8.740 971426 113.571 4.104 8.742 925992 113.618 1.190 8.744 750364 113.627 8.745 8.743 4470240 122.623 0.513 8.705 446690 122.626 1.189 8.706 1541224 122.613 0.949 8.705 3592183 122.620 0.694 8.708 507856 122.598 4.083 8.706 2903552 128.387 3.200 8.839 164519 128.352 5.000 8.837 546514 128.332 9.158 8.824 297123 128.328 1.441 8.838 123843 128.344 4.081 8.837 1212160 128.343 2.032 8.838 162406 128.342 0.938 8.836 1317383 128.328 8.836 8.834 1757790 128.363 1.645 8.837 834755 128.331 0.596 8.836 1329131 128.327 8.173 8.836 449290 128.300 4.554 8.832 82381 128.308 4.809 8.839 315841 116.226 3.209 8.175 500949 116.321 4.965 8.173 220356 116.234 0.928 8.173 1349291 116.221 8.842 8.172 1288144 116.226 1.643 8.173 1092779 116.220 0.685 8.171 1612798 116.227 4.566 8.173 1032676 116.239 4.811 8.172 2157447 116.233 3.953 8.172 2582392 120.821 0.895 8.656 116226 120.891 8.160 8.670 95539 120.836 4.564 8.660 1167361 120.836 3.925 8.661 565141 120.867 8.658 8.659 534708 120.841 4.806 8.660 5003338 120.740 8.310 8.663 128683 120.827 0.711 8.655 94506 120.834 2.842 8.661 749123 112.173 1.691 6.914 83538 112.254 0.923 6.919 187562 112.276 2.830 7.617 1788739 112.283 2.825 6.918 1152750 112.297 7.619 7.614 31543644 112.288 7.619 6.918 24650084 112.296 6.919 7.615 24080892 112.290 6.921 6.919 31416776 112.397 0.846 7.591 180905 112.363 1.587 6.919 92144 121.652 2.334 8.310 174495 121.729 8.559 8.302 474687 121.739 3.915 8.306 362796 121.722 8.617 8.305 482752 121.716 4.803 8.306 13165953 121.726 7.634 8.302 181681 121.727 6.936 8.314 77501 121.719 4.455 8.306 4080119 121.717 1.590 8.305 8055512 121.702 8.013 8.310 275336 121.706 2.863 8.305 2797687 121.721 8.306 8.305 25407774 121.720 0.843 8.305 1711694 116.681 2.866 8.307 441101 116.809 6.940 8.317 159419 116.697 0.841 8.309 1073610 116.690 1.599 8.308 2261166 116.692 3.916 8.308 2431412 116.682 8.006 8.309 1120947 116.685 8.309 8.309 24231236 116.695 4.466 8.309 5032866 122.908 0.848 8.001 454473 122.907 8.311 7.997 591256 122.916 4.526 8.001 7480295 122.921 8.005 8.001 231233952 122.920 4.300 8.001 2149998 122.915 3.896 8.001 4632807 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 N . . . . . 6344 1 2 H 1 H . . . . . 6344 1 3 H 1 HN . . . . . 6344 1 stop_ save_ save_Cnoesy_aliph_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aliph_peak_list _Spectral_peak_list.Entry_ID 6344 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID . _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID . _Spectral_peak_list.Sample_condition_list_label $sample_conditions _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name '3D 13C-edited NOESY-HSQC -aliph' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details 750mhz _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 40.932 4.805 0.522 211382 46.214 6.125 3.724 135014 46.214 6.125 3.724 135014 37.849 1.448 0.557 336585 45.226 6.787 2.695 116133 40.719 1.831 1.764 1355096 40.847 0.934 1.743 167411 40.758 1.839 1.843 6077261 38.364 4.803 0.558 468611 42.785 4.764 0.829 192965 26.966 8.813 4.738 116104 41.084 6.113 3.104 118230 41.053 6.116 2.831 139059 44.835 6.978 1.293 656487 42.744 6.089 3.929 138380 38.998 7.403 4.735 78794 32.758 2.680 2.204 265516 45.881 7.338 1.144 224644 34.405 8.307 4.531 856004 34.397 7.999 4.532 2290800 34.389 1.594 4.533 397704 40.660 0.919 3.900 142179 40.101 7.992 3.918 370724 40.143 4.524 3.917 2739943 40.556 5.767 4.299 112023 24.200 4.801 0.240 507672 30.206 8.934 5.067 181334 29.000 4.811 5.478 295078 31.347 6.803 4.457 176404 31.066 1.808 4.914 147186 37.155 4.806 4.549 588862 35.883 9.847 4.887 136385 31.995 2.024 4.280 164953 32.117 2.609 4.511 162308 36.826 3.987 4.859 204041 36.814 8.045 4.865 235645 36.850 8.336 4.863 174797 36.577 8.828 4.870 125826 40.408 3.417 4.961 97681 40.437 1.489 4.960 146379 39.712 4.414 3.707 330697 39.888 3.852 3.379 679448 39.835 3.811 3.700 600201 31.251 4.996 4.153 109796 40.666 4.798 4.295 623843 46.439 8.096 4.727 122952 46.375 8.477 4.755 155512 27.132 8.012 1.682 104365 29.697 -0.535 4.383 224387 46.144 7.607 4.080 100119 46.240 4.522 4.208 196587 46.118 3.780 4.066 748604 45.767 1.190 4.078 388597 26.860 0.206 2.132 119865 40.936 4.801 4.342 596456 30.328 3.148 2.272 258304 36.878 1.801 2.447 186230 33.822 6.623 4.453 81461 34.906 8.518 4.789 238276 35.332 4.811 5.187 492369 37.139 6.142 3.812 115908 45.621 6.115 0.824 314932 44.213 7.850 4.267 93059 44.262 7.857 3.939 98423 30.335 7.035 4.695 69867 30.369 1.614 4.730 164006 36.600 6.043 4.650 131224 36.611 6.599 4.654 108167 35.507 7.072 5.387 105894 39.314 3.950 4.939 235968 35.143 9.167 4.479 81934 34.610 3.848 4.425 4094666 39.874 4.422 3.880 2282577 35.129 4.289 4.298 8489731 29.571 0.604 4.673 135371 36.096 4.617 1.919 215483 36.168 8.279 1.929 236209 34.632 4.804 4.424 4311952 40.961 8.054 2.091 121849 40.914 7.073 2.090 98348 40.907 7.528 2.110 121573 33.253 0.694 1.706 249053 42.598 8.995 1.792 167289 36.198 6.026 2.028 207912 41.900 8.399 0.938 580232 38.299 8.399 1.051 210894 41.618 8.400 2.116 323839 25.650 8.347 0.940 470765 39.800 8.943 3.991 116507 31.679 6.734 3.910 76946 30.013 2.789 2.817 788583 37.543 2.221 2.858 256724 38.135 8.441 2.790 328640 25.173 8.568 1.952 92268 40.100 6.182 0.585 -13913 43.508 8.243 3.081 220769 26.324 8.212 2.089 95594 30.655 7.024 3.760 168353 26.800 -0.057 0.261 108934 32.308 2.873 1.924 141947 25.311 7.477 0.755 154678 32.199 4.011 1.720 109232 31.550 4.462 1.972 508261 46.888 6.819 0.668 0 46.888 0.004 0.196 0 46.888 8.052 0.987 0 32.291 6.810 1.633 156242 43.330 7.305 3.203 187434 43.446 0.570 2.472 134037 43.462 6.746 2.444 246462 43.401 6.720 2.082 176109 43.502 8.934 2.466 87181 40.366 1.832 2.987 206558 37.096 4.420 4.027 388903 40.132 3.662 3.680 687056 40.288 -0.541 2.571 159523 40.207 -0.539 3.331 131712 38.077 4.800 2.747 306519 37.935 1.398 0.565 287589 36.784 4.464 0.925 143371 46.888 2.703 0.884 0 39.725 4.424 3.384 313748 40.700 9.209 1.055 209599 33.734 2.503 1.632 599132 26.371 5.124 0.258 129193 40.791 6.803 3.801 373488 38.986 5.397 4.581 103690 45.054 6.806 0.715 287110 45.044 6.806 0.598 815916 41.791 3.125 2.270 414737 33.101 1.689 5.448 56408 33.016 0.935 5.715 63722 32.834 0.938 5.595 53636 32.730 0.744 5.651 56650 32.735 0.194 5.400 53356 32.533 1.224 4.903 121708 32.435 0.959 4.890 116131 35.094 4.789 1.846 180507 39.516 1.859 0.894 250318 39.504 1.859 1.251 149799 27.391 2.123 2.882 114098 27.389 2.243 2.881 101478 27.465 1.414 3.088 492589 30.468 4.802 3.065 6115352 30.470 4.608 3.065 7147016 30.488 0.895 3.075 138272 30.481 7.011 3.066 2138028 30.484 8.003 3.059 399979 30.477 8.449 3.035 177779 46.066 0.867 3.759 295345 45.396 0.754 4.302 350364 45.381 4.124 4.313 325426 36.024 1.353 4.737 102490 43.346 7.254 3.083 84689 27.468 5.019 1.388 118388 35.858 6.851 2.407 110280 29.890 7.262 5.793 113998 37.750 4.788 0.637 268144 29.918 9.020 5.807 149909 33.200 8.968 5.690 349845 27.403 2.005 0.727 138458 39.059 6.455 4.590 78180 32.391 4.815 1.639 213571 35.934 9.455 4.689 165123 32.753 4.797 1.953 823359 40.921 8.768 2.095 94440 30.449 9.238 6.032 349550 25.747 4.791 1.101 358599 37.259 1.104 1.501 199160 31.396 8.814 1.971 173226 44.642 6.597 3.885 146224 28.645 8.706 2.505 124911 27.598 1.484 0.972 357555 27.674 8.397 0.764 146591 27.649 4.291 0.763 307212 30.054 8.965 4.901 258360 30.083 8.952 4.973 222819 29.897 3.521 4.886 172021 30.074 2.589 4.875 281504 30.222 8.274 3.142 150951 30.210 8.262 3.230 129831 30.162 7.105 3.221 421809 30.281 7.085 3.148 579486 30.151 4.695 3.222 1616815 41.925 2.875 1.581 778058 42.607 4.584 1.800 234673 46.084 3.126 0.968 824387 32.307 2.706 1.789 154160 32.189 2.709 1.867 156449 32.466 6.614 2.489 113265 35.105 1.930 4.875 251505 35.073 6.871 4.870 108614 39.732 10.413 3.997 177566 33.277 8.040 1.854 139515 35.900 9.406 4.727 160173 27.680 0.712 5.447 90895 27.662 6.510 5.435 93202 42.449 1.096 4.080 163540 42.512 4.024 4.081 504079 27.142 7.287 2.004 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33.814 0.601 5.540 232597 33.706 0.988 5.542 110881 33.801 3.925 5.544 319846 33.864 7.456 5.541 775949 42.895 8.824 3.744 190448 42.796 8.822 3.943 115787 42.703 2.303 3.744 215846 42.614 2.274 3.931 155907 42.720 8.367 3.737 170282 42.646 8.372 3.944 178279 42.755 5.538 3.750 337576 42.728 5.533 3.935 406068 42.718 3.733 3.937 1717161 42.730 3.933 3.746 1560769 42.734 7.461 3.741 261718 42.712 7.457 3.936 298801 39.244 5.006 4.703 301763 39.369 1.084 4.688 130626 39.374 8.850 4.700 133790 39.384 7.478 4.712 111635 39.254 4.693 4.702 881908 39.309 0.878 4.703 330841 39.220 0.690 4.699 350775 39.234 9.036 4.701 604754 34.748 1.001 1.591 169467 34.812 7.451 1.575 254743 34.727 4.684 1.575 183496 34.726 0.865 1.570 1112982 34.762 9.035 1.570 67293 34.740 0.680 1.579 1076893 46.052 0.562 0.880 1150949 46.009 0.220 0.880 219445 45.983 8.841 0.891 447360 46.030 7.075 0.887 1270278 46.003 7.452 0.881 92622 46.057 1.560 0.885 2145002 46.056 9.024 0.889 775730 46.128 5.606 0.886 272877 46.275 6.621 0.699 363461 46.240 6.351 0.695 559456 46.075 5.006 0.701 550320 46.136 0.967 0.699 4908151 46.282 7.440 0.696 176507 46.201 4.698 0.690 733492 46.127 0.890 0.700 6274121 32.910 3.639 5.650 204088 32.909 1.822 5.629 65344 32.892 8.826 5.645 221470 32.920 9.024 5.655 179721 32.917 3.431 5.647 207487 32.899 3.777 5.652 251541 32.892 8.239 5.646 675183 32.897 1.508 5.647 293466 32.957 0.864 5.639 166454 43.052 0.844 3.443 451872 43.026 0.852 3.793 373436 43.130 8.841 3.449 179846 43.047 8.842 3.791 206062 43.076 9.035 3.436 223668 43.098 9.035 3.796 192853 43.030 5.635 3.440 288573 43.020 5.636 3.793 329138 43.110 3.786 3.438 899944 42.991 8.251 3.440 211458 43.061 8.240 3.789 260071 43.070 1.530 3.437 67808 43.075 1.826 3.438 407354 43.104 1.831 3.789 344427 27.087 1.217 5.629 115856 27.196 7.634 5.623 73850 27.077 1.102 5.629 378689 27.117 8.243 5.620 162896 27.090 1.530 5.624 1241708 27.093 8.788 5.625 1290433 27.113 5.070 5.618 164624 27.109 0.840 5.643 201818 27.090 5.610 5.624 2049447 23.328 0.459 1.540 1158167 23.321 -0.148 1.544 240763 23.343 8.239 1.540 555347 23.315 5.611 1.539 2302260 23.302 8.793 1.534 1579986 23.271 5.079 1.539 424901 30.012 8.294 5.070 118882 30.103 1.843 5.070 333674 30.214 9.121 5.075 115522 30.230 0.463 5.070 191035 30.219 5.625 5.064 143820 30.111 5.061 5.067 2945342 30.080 2.077 5.069 579806 30.102 2.295 5.069 886265 29.931 3.974 5.082 83022 30.118 8.760 5.069 1905930 32.980 1.199 1.975 123210 33.051 1.212 2.084 130470 33.053 7.639 1.963 141564 33.229 7.599 2.109 152447 32.973 3.152 1.965 108276 33.042 3.155 2.087 94042 33.046 5.599 1.966 151558 32.954 5.631 2.084 88009 32.811 5.064 1.970 535748 33.020 5.055 2.087 563299 32.956 8.763 1.977 779925 33.005 8.742 2.076 982178 36.051 2.970 2.320 350335 36.393 5.620 2.308 221187 36.389 8.769 2.303 1095191 36.381 5.059 2.307 1154164 45.921 0.454 3.968 264789 45.923 0.455 5.225 206726 45.937 4.100 5.218 300970 45.881 1.520 3.970 133153 45.871 1.195 5.223 214903 45.926 9.293 3.954 211105 45.957 9.289 5.228 232555 46.035 1.753 3.943 215164 45.934 2.269 3.952 441776 45.961 2.281 5.209 228796 45.949 3.944 5.217 1012800 45.944 5.209 3.953 1141088 45.937 5.207 5.215 806213 45.949 8.748 3.952 1202621 45.933 8.751 5.218 847521 35.892 1.175 4.872 198869 35.956 8.706 4.874 277637 24.662 0.493 4.099 60111 24.687 9.179 4.083 119531 24.622 1.455 4.090 84201 24.521 1.815 4.086 172110 24.631 4.824 4.081 1373822 24.627 4.064 4.076 5420168 24.624 1.185 4.077 2131600 24.547 0.932 4.098 199756 24.663 0.701 4.091 110446 24.627 8.715 4.075 1265651 45.757 8.330 1.191 189679 45.778 4.360 1.193 594957 45.801 1.782 1.193 930554 45.783 8.525 1.194 148030 45.747 9.160 1.190 353819 45.800 3.083 1.199 299505 45.781 5.207 1.193 497580 45.788 4.819 1.192 6226909 45.789 4.070 1.193 5309834 45.791 1.185 1.192 115491344 45.777 2.015 1.198 302382 45.786 8.720 1.192 3016240 39.317 0.706 4.083 185108 39.313 4.996 4.098 561591 39.376 1.785 4.092 126063 39.295 0.517 4.091 522051 39.297 -0.151 4.087 56928 39.331 9.161 4.088 172911 39.349 8.728 4.096 274481 39.281 2.023 4.100 237075 39.302 0.940 4.094 1268864 39.309 8.841 4.092 865415 39.276 1.643 4.088 182805 32.724 4.084 2.031 498062 32.720 0.937 2.032 3874580 45.595 -0.147 0.925 147118 45.510 9.154 0.930 226439 45.575 8.707 0.926 857291 45.509 8.840 0.925 1171604 45.165 1.460 0.987 1442352 45.159 3.152 0.987 1088773 45.173 5.020 0.987 1019871 45.177 9.182 0.987 350212 39.378 0.918 3.966 411185 39.390 8.842 3.967 816150 39.543 3.957 3.983 10304312 39.372 1.633 3.966 783959 39.378 0.700 3.967 2399279 39.387 0.591 3.966 2393889 39.391 8.172 3.968 1242346 32.335 2.858 1.642 244169 32.307 3.216 1.632 396543 32.319 4.993 1.645 151352 32.328 4.068 1.637 351262 32.303 8.842 1.641 761683 32.310 1.634 1.641 3795155 32.311 0.703 1.640 2237186 32.302 0.594 1.640 1738919 32.308 8.171 1.642 456098 32.303 3.965 1.640 672974 44.868 2.860 0.704 260334 44.928 3.215 0.711 381491 44.881 3.079 0.706 292359 44.946 8.833 0.707 676752 44.902 3.958 0.711 3058789 44.905 1.630 0.711 3684414 44.919 0.704 0.712 66932212 44.936 8.171 0.713 800189 44.900 3.814 0.704 673553 45.030 2.857 0.600 237169 45.059 3.212 0.598 414513 45.044 4.999 0.598 1121410 45.030 9.157 0.597 1002555 45.043 1.444 0.597 2254475 45.043 1.800 0.598 1302546 45.040 3.082 0.597 931674 45.000 3.819 0.596 564664 45.038 1.195 0.600 469555 45.000 4.083 0.596 1229699 45.197 0.980 0.585 2958076 45.039 8.842 0.598 2291965 45.041 3.959 0.597 3216040 45.041 1.632 0.598 3356049 45.035 8.173 0.599 644424 34.094 0.913 4.570 481477 34.118 1.652 4.572 160578 34.118 0.705 4.569 241156 34.058 8.171 4.568 871498 34.167 3.921 4.550 2593116 34.043 8.662 4.568 783118 34.124 2.837 4.567 187876 40.533 8.556 3.830 153358 40.575 8.547 3.938 118430 40.546 2.848 3.833 266719 40.570 2.842 3.936 268380 40.596 3.220 3.832 283898 40.571 3.205 3.936 221017 40.593 8.866 3.830 126916 40.428 8.856 3.941 95243 40.707 1.615 3.839 173349 40.575 0.701 3.938 541160 40.730 0.601 3.816 330591 40.568 8.173 3.834 625028 40.600 8.175 3.937 615146 40.581 4.562 3.833 2040449 40.535 4.560 3.939 2234360 40.703 3.809 3.822 19594130 40.596 8.658 3.835 210908 40.606 8.652 3.938 302561 40.555 4.807 3.937 2046362 40.575 8.299 3.836 90980 40.575 8.293 3.942 135837 40.209 1.592 3.919 239339 40.727 4.804 3.813 3694939 38.739 0.897 2.808 173264 38.881 0.906 2.883 142747 38.770 8.661 2.808 311409 38.827 8.663 2.892 355679 38.820 4.791 2.809 2752512 38.822 4.791 2.893 2858320 38.822 2.832 2.810 21085114 38.819 2.844 2.893 20892694 38.825 7.616 2.811 627258 38.816 7.619 2.892 706079 38.817 6.919 2.809 325273 38.797 6.916 2.893 317235 38.718 1.581 2.805 199659 38.853 1.598 2.903 160378 38.738 3.928 2.796 153626 38.822 3.881 2.897 212648 38.811 8.307 2.811 625306 38.820 8.305 2.893 640788 31.379 8.004 4.457 144527 31.242 3.920 4.447 290346 31.342 1.601 4.455 6679427 31.330 0.836 4.454 4761279 42.315 7.822 1.611 105957 42.385 8.561 1.610 138663 42.356 4.447 1.606 2956919 42.369 3.918 1.602 184289 42.362 0.844 1.608 4544158 42.359 1.597 1.607 52977728 42.360 8.305 1.608 1647744 25.066 7.814 0.861 448519 25.048 8.566 0.863 308980 25.066 3.916 0.860 882290 25.057 4.799 0.855 1296430 25.077 8.304 0.864 360420 25.059 4.449 0.860 1752911 25.076 4.276 0.860 844069 25.042 1.581 0.862 7461500 23.360 8.542 0.838 285702 23.371 2.845 0.835 335290 23.347 4.278 0.834 353597 23.363 8.304 0.832 561310 23.392 3.911 0.832 532501 23.371 4.449 0.833 4907591 23.375 0.827 0.833 345572992 23.365 1.575 0.835 5113894 27.077 8.317 1.564 1017974 27.063 4.444 1.563 1164959 36.129 7.998 4.304 764814 36.128 3.885 4.305 2004543 36.144 4.298 4.305 138630688 40.909 8.000 3.886 1000092 40.914 4.292 3.887 2601054 40.910 3.882 3.888 347383072 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C . . . . . 6344 2 2 H 1 H . . . . . 6344 2 3 H 1 HC . . . . . 6344 2 stop_ save_ save_Cnoesy_arom_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_arom_peak_list_2 _Spectral_peak_list.Entry_ID 6344 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID . _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID . _Spectral_peak_list.Sample_condition_list_label $sample_conditions _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name '3D 13C-edited NOESY-HSQC - arom' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details 750MHz _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 6.806 8.898 120.919 354848 6.809 9.075 120.843 236323 6.806 3.811 120.949 181730 6.809 0.608 120.898 322557 7.531 4.814 120.584 1207870 7.816 0.689 137.533 339687 7.816 0.996 137.527 288233 7.816 4.538 137.541 195266 8.234 0.988 136.973 225120 6.462 6.150 129.754 300968 7.080 4.422 131.963 233858 6.538 2.693 127.469 98957 6.549 1.063 127.398 307478 6.786 4.118 113.162 136767 6.340 8.825 117.963 164372 6.786 3.485 113.244 148555 6.340 7.883 117.959 278449 6.625 2.007 117.167 131836 6.606 3.900 118.126 114234 6.598 0.676 118.159 112866 8.236 3.096 137.035 112094 6.340 2.120 117.952 125450 6.812 1.609 121.044 217530 6.809 6.816 121.025 6490398 6.809 0.990 121.227 228370 6.670 1.215 132.940 95884 6.695 5.379 132.988 98356 6.685 2.249 132.957 247469 6.680 6.926 132.958 701200 6.674 0.983 132.899 167253 6.679 3.705 132.934 199541 7.369 4.822 126.834 298145 7.375 3.882 126.804 277988 7.371 1.470 126.734 130312 7.374 3.985 126.783 246721 7.373 2.007 126.780 136462 7.390 2.225 126.785 91252 7.376 4.937 126.825 218858 7.372 2.897 126.760 67034 7.372 10.413 126.807 351621 6.805 1.286 121.196 135219 7.103 1.398 123.636 86509 7.085 7.584 123.725 337163 7.089 0.830 123.594 245007 7.099 6.515 123.742 157887 7.089 1.279 123.681 176704 7.577 1.434 113.270 281164 7.577 9.273 113.283 77771 7.577 7.786 113.288 308548 7.568 4.014 113.221 108718 7.579 4.817 113.215 230676 7.576 10.408 113.267 162352 7.575 7.086 113.289 391086 7.579 7.583 113.257 983678 7.574 0.851 113.248 121461 7.429 4.344 131.319 117376 7.423 2.023 131.322 140917 7.428 8.430 131.254 338796 7.429 4.172 131.237 249467 7.425 2.777 131.265 372295 7.426 3.256 131.265 280167 7.426 7.054 131.210 844928 7.421 5.372 131.266 190040 7.428 8.567 131.322 341682 7.424 0.983 131.240 296941 7.421 0.787 131.213 108795 7.044 7.424 130.347 493431 7.040 0.993 130.286 295887 7.043 4.703 130.112 141514 7.042 8.398 130.078 132458 6.624 6.356 129.894 244544 6.650 1.844 129.846 69289 6.629 1.298 129.874 139504 6.613 0.712 129.912 162606 6.498 -0.704 132.522 62905 6.509 7.084 132.521 169291 6.526 8.303 132.743 81943 6.536 4.819 132.772 224964 6.508 2.508 132.571 213410 6.507 2.618 132.538 212091 6.511 6.520 132.551 1474391 6.499 8.452 132.516 95535 6.506 1.026 132.528 131268 6.519 1.434 132.403 151601 6.517 1.294 132.473 162470 6.510 0.725 132.551 365735 6.519 1.844 132.434 103746 6.341 -0.711 128.074 67329 6.352 6.634 128.069 438810 6.366 6.369 128.066 543427 6.350 1.030 128.042 217985 6.352 0.703 128.039 384948 6.348 1.300 128.057 167670 7.020 0.493 130.537 143055 7.022 4.022 130.493 217814 7.020 3.113 130.514 100256 7.006 0.246 130.495 113547 7.024 -0.133 130.467 171979 7.019 1.084 130.486 313059 7.024 1.221 130.476 537452 7.023 1.902 130.484 422840 7.029 0.803 130.358 506975 7.025 1.510 130.389 621138 7.086 1.506 132.019 198997 7.082 0.689 132.063 144739 7.079 4.807 131.864 536334 7.081 3.094 131.988 636061 7.094 8.661 132.201 75402 7.083 1.679 132.026 153099 7.082 0.515 132.005 223450 7.082 -0.132 132.036 209979 7.084 1.250 132.058 125580 7.084 5.049 132.055 218166 7.078 7.829 132.051 142849 6.869 -0.130 127.813 104015 6.868 0.805 127.856 312795 6.868 1.186 127.842 501872 6.867 1.519 127.848 290943 6.868 7.029 127.817 1108882 6.869 0.478 127.887 75553 6.872 1.916 127.879 163349 7.532 4.966 120.572 279435 7.531 8.582 120.578 202748 7.533 2.009 120.565 359993 7.536 2.156 120.545 118756 7.532 2.354 120.633 109027 7.529 3.504 120.622 208020 7.532 3.663 120.551 272201 7.531 7.539 120.573 3216003 7.376 3.943 138.348 106375 6.743 4.661 132.315 342594 6.743 2.429 132.350 376046 6.742 2.670 132.328 401024 6.744 6.350 132.346 1256690 6.745 8.799 132.395 195427 6.742 1.413 132.292 80920 6.744 0.203 132.334 236491 6.749 9.381 132.351 127967 6.743 3.953 132.318 255105 6.337 2.446 118.008 103770 6.338 7.263 117.911 192675 6.339 7.067 117.895 157665 6.341 3.943 117.941 202720 6.337 0.215 117.979 99379 6.340 6.350 117.949 7343140 6.340 6.752 117.949 2091088 7.240 6.454 129.583 128315 6.448 3.994 129.711 234736 6.451 3.371 129.696 106478 6.442 3.781 129.739 148207 6.450 6.458 129.741 1876140 6.451 7.066 129.707 735069 6.448 1.963 129.600 97164 6.449 3.032 129.818 91498 6.455 1.521 129.689 74273 6.445 8.795 129.706 138392 7.077 4.001 131.521 124167 7.064 7.253 131.325 1140585 7.062 6.457 131.295 927617 6.885 6.891 131.634 5227478 6.878 8.151 131.499 185594 6.878 2.834 131.399 195381 6.877 2.065 131.386 262966 6.852 4.174 131.031 314522 6.846 3.019 131.087 345365 6.549 0.800 127.364 217742 6.535 3.230 127.438 75397 6.553 0.924 127.384 189027 6.539 2.059 127.258 104729 6.543 1.854 127.269 90518 6.547 3.005 127.325 168900 6.547 6.820 127.377 593762 6.549 6.557 127.382 702279 7.463 2.262 125.583 132255 7.467 5.309 125.588 1172126 7.466 2.983 125.585 150052 7.466 3.768 125.684 106508 7.466 7.474 125.585 3758034 7.466 9.871 125.607 1186529 7.466 9.871 125.607 1186529 7.466 0.252 125.585 86020 6.748 0.814 121.252 356415 6.750 0.463 121.293 228651 6.752 1.193 121.220 322461 6.753 1.083 121.229 452250 6.751 1.898 121.310 108934 6.737 1.910 123.327 152588 6.739 1.226 123.322 355903 6.735 6.761 123.288 1383031 6.739 0.796 123.281 431396 6.787 1.913 113.262 114463 6.788 1.226 113.201 192996 6.786 9.873 113.244 394268 6.780 -0.296 113.161 82685 6.793 4.307 113.207 72302 6.785 8.368 113.236 220894 6.784 5.806 113.272 100540 6.786 6.784 113.227 3078912 6.787 0.775 113.212 559272 6.635 4.579 117.252 85450 6.632 1.451 117.152 135275 6.624 2.096 117.245 268212 6.624 8.368 117.167 121483 7.244 2.289 119.882 123684 7.245 0.991 119.852 411007 7.245 8.397 119.832 246445 7.247 5.807 119.757 77084 7.246 3.237 119.840 766271 6.605 2.609 118.071 281696 6.598 4.296 117.979 163308 6.608 4.668 118.043 109739 6.608 3.254 118.168 95308 6.605 5.673 118.146 182579 6.606 7.046 118.122 482845 6.604 1.052 118.060 601292 7.127 1.565 130.454 250475 7.132 0.569 130.447 290519 7.133 0.455 130.359 226196 7.130 1.324 130.390 300995 7.130 1.878 130.412 385896 7.133 1.173 130.418 496123 7.131 1.070 130.407 485273 7.124 8.931 130.417 97228 7.129 6.901 130.444 885632 7.131 0.869 130.415 537607 7.057 1.128 128.739 432254 7.055 0.882 128.738 493310 6.890 9.421 131.706 121489 6.887 0.959 131.671 804210 6.887 0.569 131.695 296285 6.888 8.939 131.616 430880 6.908 1.430 131.566 325094 6.886 1.881 131.646 715668 6.885 4.613 131.648 227791 7.573 4.573 130.331 118652 7.585 1.652 130.216 105805 7.585 1.932 130.250 86799 7.587 4.412 130.325 123741 7.564 0.945 130.334 77478 7.582 7.586 130.363 984522 7.573 6.852 130.285 131625 7.578 7.356 130.362 726675 6.838 8.681 131.039 84577 6.849 1.980 131.094 223939 6.849 7.351 131.062 464666 7.346 4.603 131.961 269646 7.338 1.625 132.051 102803 7.355 2.093 131.973 94334 7.352 0.972 132.001 71540 7.349 7.582 132.074 715904 7.350 6.852 131.961 430540 7.348 7.355 132.093 2594875 7.346 1.946 131.975 110674 7.299 -1.029 120.709 121507 7.297 7.305 120.638 14380113 7.298 3.251 120.663 320586 7.302 6.693 120.668 106339 6.693 0.990 131.774 130152 6.697 2.828 131.785 315248 6.695 3.122 131.820 292558 6.695 6.702 131.826 5683836 6.693 8.387 131.868 126862 6.695 7.287 131.728 1051914 7.268 6.701 130.950 535899 7.272 7.284 130.810 3334468 7.176 2.316 119.806 124941 7.173 1.292 119.912 191756 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 HC . . . . . 6344 3 2 H 1 H . . . . . 6344 3 3 C 13 'C arom' . . . . . 6344 3 stop_ save_ save_4D_CC_Cnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_CC_Cnoesy_peak_list _Spectral_peak_list.Entry_ID 6344 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID . _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID . _Spectral_peak_list.Sample_condition_list_label $sample_conditions _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name '4D CC-NOESY (2H2O)' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details '600mhz cold probe' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.653 13.652 -0.369 6.616 224669 13.653 13.652 4.105 4.100 62774 13.653 13.652 4.228 4.222 229838 13.653 13.988 0.820 0.810 663374 13.653 14.063 4.597 6.615 -5394 13.653 14.949 1.010 1.599 -53266 13.653 15.247 2.300 1.019 3175 13.653 15.350 2.021 4.674 -32140 13.653 15.678 2.214 4.248 4918 13.653 15.752 1.652 5.129 -6928 13.653 15.917 -0.023 6.618 110564 13.653 15.928 1.895 5.132 -8677 13.653 15.942 -0.025 4.176 -24344 13.653 16.297 0.210 6.622 89190 13.653 17.186 4.428 4.242 12981 13.653 17.350 -0.117 0.807 -8811 13.653 17.497 2.745 4.221 -61969 13.653 17.510 0.443 4.687 5121 13.653 17.581 0.903 0.787 -46260 13.653 18.171 0.600 4.221 10812 13.653 18.648 4.313 4.233 20244 13.653 18.793 1.236 0.806 -17327 13.653 18.842 0.649 0.810 66243 13.653 19.239 4.650 0.809 14833 13.653 20.025 4.414 2.062 -27963 13.653 21.158 0.992 1.591 -150504 13.653 21.186 1.012 1.526 64579 13.653 21.259 0.965 2.062 -215772 13.653 21.313 0.834 0.845 -96780 13.653 21.322 0.599 0.593 -79886 13.653 21.375 0.994 6.620 -11450 13.653 21.397 0.953 0.786 164755 13.653 21.767 1.187 1.037 65845 13.653 21.778 1.621 4.110 8210 13.653 21.985 1.175 0.659 9008 13.653 22.954 0.934 0.749 -30428 13.653 23.109 0.212 0.836 -13187 13.653 23.109 0.212 0.836 -13187 13.653 23.223 0.899 4.109 54294 13.653 23.239 3.802 4.691 26066 13.653 23.403 0.849 0.618 36706 13.653 23.409 1.518 0.907 -42752 13.653 23.464 0.844 0.775 143914 13.653 24.679 1.314 0.752 -8292 13.653 25.004 1.373 4.119 -6665 13.653 25.174 0.750 4.701 30209 13.653 25.193 0.718 4.471 -7283 13.653 25.283 0.760 0.637 124559 13.653 25.452 1.575 1.591 -35713 13.653 25.452 1.575 1.591 -35713 13.653 25.887 0.475 0.815 -8002 13.653 26.034 1.386 5.145 7746 13.653 27.164 0.850 1.535 -15550 13.653 27.190 0.870 1.579 -14786 13.653 28.123 -0.126 4.224 -3470 13.653 28.830 2.175 4.152 -5954 13.653 29.621 2.097 2.090 -24130 13.653 29.634 1.993 6.619 -6856 13.653 29.651 2.692 2.088 -7633 13.653 30.886 3.026 6.617 -7207 13.653 31.184 2.067 6.618 -13079 13.653 31.187 1.405 6.617 -6348 13.653 33.242 -0.305 0.805 8676 13.653 33.762 0.890 1.545 -18342 13.653 34.060 5.141 5.131 0 13.815 21.526 0.780 0.628 50316 13.819 15.981 5.568 4.690 41366 13.820 31.035 1.472 4.688 20836 13.820 33.218 -0.293 0.520 19441 13.828 14.948 1.008 0.631 67920 13.907 20.641 1.563 4.096 -7474 13.909 18.996 0.653 4.682 8999 13.914 21.616 0.705 4.218 4225 13.930 15.981 0.252 0.808 127524 13.932 25.851 0.951 4.107 20169 13.932 28.735 1.075 0.810 31476 13.946 18.926 4.260 0.529 -5834 13.951 28.749 1.820 0.808 31247 13.960 19.581 1.594 0.810 -24758 13.973 16.808 4.537 4.518 -95547 14.008 20.670 1.834 4.102 -7328 14.009 30.885 4.298 0.628 -5863 14.013 22.396 0.724 1.585 -37095 14.017 15.890 3.031 4.353 -8468 14.019 27.086 1.570 4.106 6806 14.027 17.053 1.061 0.629 24392 14.027 26.602 -0.371 0.810 -9083 14.031 29.285 3.683 0.809 7683 14.032 25.998 1.107 1.033 41960 14.035 29.054 1.700 4.497 61888 14.038 31.207 2.063 4.558 11020 14.045 29.286 3.130 0.811 9574 14.047 29.227 6.525 0.816 0 14.049 25.387 0.881 1.069 28648 14.050 25.055 1.445 4.498 51844 14.056 25.440 0.088 0.809 -6805 14.064 16.476 1.513 0.632 -15132 14.068 31.572 6.303 0.805 -13374 14.072 16.472 1.660 0.631 -17688 14.077 21.152 2.968 0.631 -50098 14.077 27.272 1.450 0.632 64521 14.079 24.675 1.306 0.630 39425 14.085 20.486 1.652 0.631 -49120 14.087 20.063 4.979 0.805 13624 14.089 18.959 4.267 0.632 38564 14.093 34.060 5.139 0.630 0 14.094 21.067 2.866 5.118 -6951 14.097 27.147 0.140 0.809 -15978 14.097 28.798 1.697 0.631 37887 14.105 27.221 0.887 0.631 121652 14.111 15.613 5.683 0.813 7623 14.112 17.963 0.961 4.682 7874 14.114 14.779 5.065 0.635 3887 14.116 17.551 0.639 0.632 169477 14.125 31.279 1.415 4.570 8052 14.126 19.191 4.662 0.807 20300 14.139 14.708 2.135 0.630 -24790 14.144 14.148 0.630 0.630 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22.278 4.023 1.844 12967 34.059 22.323 0.718 1.829 29223 34.059 22.355 0.532 1.816 35491 34.059 22.579 0.999 5.109 -4960 34.059 22.684 3.172 1.849 -39668 34.059 23.089 0.692 4.901 -44972 34.059 24.647 1.309 4.635 -50534 34.059 25.192 0.789 4.870 -9473 34.059 25.199 0.746 4.615 -48815 34.059 25.263 0.862 1.814 22762 34.059 25.769 0.476 1.819 22794 34.059 27.107 0.854 1.829 10642 34.059 27.921 1.485 1.852 40247 34.059 28.760 1.690 4.635 -43445 34.059 29.440 -0.310 5.367 6705 34.059 30.615 3.021 5.360 5131 34.059 30.970 2.853 4.901 -12034 34.059 31.024 3.035 5.338 4972 34.059 31.074 3.235 4.902 -10503 34.059 31.493 1.979 5.132 -45262 34.059 32.008 5.445 6.045 11082 34.059 33.353 5.447 5.678 4381 34.059 33.878 6.054 6.044 33277 34.059 34.060 1.844 1.845 0 34.059 34.060 5.138 5.131 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C . . . . . 6344 4 2 C 13 C . . . . . 6344 4 3 H 1 H . . . . . 6344 4 4 H 1 H . . . . . 6344 4 stop_ save_