data_4448 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4448 _Entry.Title ; 1H, 13C and 15N backbone assignment and secondary structure of the 19 kDa diadenosine 5',5'''-P1,P4 tetraphosphate hydrolase from Lupinus angustifolius L. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-11-01 _Entry.Accession_date 1999-11-01 _Entry.Last_release_date 2000-05-09 _Entry.Original_release_date 2000-05-09 _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 . _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 James Swarbrick . . . 4448 2 Tanya Bashtannyk . . . 4448 3 Danuta Maksel . . . 4448 4 Kenwyn Gayler . R . 4448 5 Richard Pau . . . 4448 6 Paul Gooley . R . 4448 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4448 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1014 4448 '13C chemical shifts' 612 4448 '15N chemical shifts' 162 4448 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 . . 2000-05-09 1999-11-01 original author . 4448 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4448 _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 ; Letter to the Editor: 1H, 13C and 15N backbone assignment and secondary structure of the 19 kDa diadenosine 5', 5'''-P1, P4-tetraphosphate hydrolase from Lupinus angustifolius L ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 16 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 269 _Citation.Page_last 270 _Citation.Year 2000 _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 James Swarbrick . . . 4448 1 2 Tanya Bashtannyk . . . 4448 1 3 Danuta Maksel . . . 4448 1 4 Kenwyn Gayler . R . 4448 1 5 Richard Pau . . . 4448 1 6 Paul Gooley . R . 4448 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hydrolase 4448 1 nudix 4448 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ap4a_hydrolase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ap4a_hydrolase _Assembly.Entry_ID 4448 _Assembly.ID 1 _Assembly.Name 'Diadenosine 5',5'''-P1,P4 tetraphosphate hydrolase' _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 'fully reduced' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.6.1.17 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4448 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 'Ap4a hydrolase monomer' 1 $Ap4a_hydrolase . . . native . . . . . 4448 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Diadenosine 5',5'''-P1,P4 tetraphosphate hydrolase' system 4448 1 'Ap4a hydrolase' abbreviation 4448 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'nucelotide phosphohydrolase' 4448 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ap4a_hydrolase _Entity.Sf_category entity _Entity.Sf_framecode Ap4a_hydrolase _Entity.Entry_ID 4448 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ap4a hydrolase' _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 ; GPLGSMDSPPEGYRRNVGIC LMNNDKKIFAASRLDIPDAW QMPQGGIDEGEDPRNAAIRE LREETGVTSAEVIAEVPYWL TYDFPPKVREKLNIQWGSDW KGQAQKWFLFKFTGQDQEIN LLGDGSEKPEFGEWSWVTPE QLIDLTVEFKKPVYKEVLSV FAPHL ; _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'fully reduced' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18815.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; First five residues (GPLGS) are non-native. No effect on activity is observed. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1F3Y . "Solution Structure Of The Nudix Enzyme Diadenosine Tetraphosphate Hydrolase From Lupinus Angustifolius L." . . . . . 100.00 165 100.00 100.00 4.07e-116 . . . . 4448 1 2 no PDB 1JKN . "Solution Structure Of The Nudix Enzyme Diadenosine Tetraphosphate Hydrolase From Lupinus Angustifolius Complexed With Atp" . . . . . 100.00 165 100.00 100.00 4.07e-116 . . . . 4448 1 3 no GB AAC49902 . "diadenosine 5',5'''-P1,P4-tetraphosphate hydrolase [Lupinus angustifolius]" . . . . . 98.18 199 99.38 99.38 1.81e-113 . . . . 4448 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ap4a hydrolase' common 4448 1 'Ap4a hydrolase' abbreviation 4448 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 -4 GLY . 4448 1 2 -3 PRO . 4448 1 3 -2 LEU . 4448 1 4 -1 GLY . 4448 1 5 0 SER . 4448 1 6 1 MET . 4448 1 7 2 ASP . 4448 1 8 3 SER . 4448 1 9 4 PRO . 4448 1 10 5 PRO . 4448 1 11 6 GLU . 4448 1 12 7 GLY . 4448 1 13 8 TYR . 4448 1 14 9 ARG . 4448 1 15 10 ARG . 4448 1 16 11 ASN . 4448 1 17 12 VAL . 4448 1 18 13 GLY . 4448 1 19 14 ILE . 4448 1 20 15 CYS . 4448 1 21 16 LEU . 4448 1 22 17 MET . 4448 1 23 18 ASN . 4448 1 24 19 ASN . 4448 1 25 20 ASP . 4448 1 26 21 LYS . 4448 1 27 22 LYS . 4448 1 28 23 ILE . 4448 1 29 24 PHE . 4448 1 30 25 ALA . 4448 1 31 26 ALA . 4448 1 32 27 SER . 4448 1 33 28 ARG . 4448 1 34 29 LEU . 4448 1 35 30 ASP . 4448 1 36 31 ILE . 4448 1 37 32 PRO . 4448 1 38 33 ASP . 4448 1 39 34 ALA . 4448 1 40 35 TRP . 4448 1 41 36 GLN . 4448 1 42 37 MET . 4448 1 43 38 PRO . 4448 1 44 39 GLN . 4448 1 45 40 GLY . 4448 1 46 41 GLY . 4448 1 47 42 ILE . 4448 1 48 43 ASP . 4448 1 49 44 GLU . 4448 1 50 45 GLY . 4448 1 51 46 GLU . 4448 1 52 47 ASP . 4448 1 53 48 PRO . 4448 1 54 49 ARG . 4448 1 55 50 ASN . 4448 1 56 51 ALA . 4448 1 57 52 ALA . 4448 1 58 53 ILE . 4448 1 59 54 ARG . 4448 1 60 55 GLU . 4448 1 61 56 LEU . 4448 1 62 57 ARG . 4448 1 63 58 GLU . 4448 1 64 59 GLU . 4448 1 65 60 THR . 4448 1 66 61 GLY . 4448 1 67 62 VAL . 4448 1 68 63 THR . 4448 1 69 64 SER . 4448 1 70 65 ALA . 4448 1 71 66 GLU . 4448 1 72 67 VAL . 4448 1 73 68 ILE . 4448 1 74 69 ALA . 4448 1 75 70 GLU . 4448 1 76 71 VAL . 4448 1 77 72 PRO . 4448 1 78 73 TYR . 4448 1 79 74 TRP . 4448 1 80 75 LEU . 4448 1 81 76 THR . 4448 1 82 77 TYR . 4448 1 83 78 ASP . 4448 1 84 79 PHE . 4448 1 85 80 PRO . 4448 1 86 81 PRO . 4448 1 87 82 LYS . 4448 1 88 83 VAL . 4448 1 89 84 ARG . 4448 1 90 85 GLU . 4448 1 91 86 LYS . 4448 1 92 87 LEU . 4448 1 93 88 ASN . 4448 1 94 89 ILE . 4448 1 95 90 GLN . 4448 1 96 91 TRP . 4448 1 97 92 GLY . 4448 1 98 93 SER . 4448 1 99 94 ASP . 4448 1 100 95 TRP . 4448 1 101 96 LYS . 4448 1 102 97 GLY . 4448 1 103 98 GLN . 4448 1 104 99 ALA . 4448 1 105 100 GLN . 4448 1 106 101 LYS . 4448 1 107 102 TRP . 4448 1 108 103 PHE . 4448 1 109 104 LEU . 4448 1 110 105 PHE . 4448 1 111 106 LYS . 4448 1 112 107 PHE . 4448 1 113 108 THR . 4448 1 114 109 GLY . 4448 1 115 110 GLN . 4448 1 116 111 ASP . 4448 1 117 112 GLN . 4448 1 118 113 GLU . 4448 1 119 114 ILE . 4448 1 120 115 ASN . 4448 1 121 116 LEU . 4448 1 122 117 LEU . 4448 1 123 118 GLY . 4448 1 124 119 ASP . 4448 1 125 120 GLY . 4448 1 126 121 SER . 4448 1 127 122 GLU . 4448 1 128 123 LYS . 4448 1 129 124 PRO . 4448 1 130 125 GLU . 4448 1 131 126 PHE . 4448 1 132 127 GLY . 4448 1 133 128 GLU . 4448 1 134 129 TRP . 4448 1 135 130 SER . 4448 1 136 131 TRP . 4448 1 137 132 VAL . 4448 1 138 133 THR . 4448 1 139 134 PRO . 4448 1 140 135 GLU . 4448 1 141 136 GLN . 4448 1 142 137 LEU . 4448 1 143 138 ILE . 4448 1 144 139 ASP . 4448 1 145 140 LEU . 4448 1 146 141 THR . 4448 1 147 142 VAL . 4448 1 148 143 GLU . 4448 1 149 144 PHE . 4448 1 150 145 LYS . 4448 1 151 146 LYS . 4448 1 152 147 PRO . 4448 1 153 148 VAL . 4448 1 154 149 TYR . 4448 1 155 150 LYS . 4448 1 156 151 GLU . 4448 1 157 152 VAL . 4448 1 158 153 LEU . 4448 1 159 154 SER . 4448 1 160 155 VAL . 4448 1 161 156 PHE . 4448 1 162 157 ALA . 4448 1 163 158 PRO . 4448 1 164 159 HIS . 4448 1 165 160 LEU . 4448 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4448 1 . PRO 2 2 4448 1 . LEU 3 3 4448 1 . GLY 4 4 4448 1 . SER 5 5 4448 1 . MET 6 6 4448 1 . ASP 7 7 4448 1 . SER 8 8 4448 1 . PRO 9 9 4448 1 . PRO 10 10 4448 1 . GLU 11 11 4448 1 . GLY 12 12 4448 1 . TYR 13 13 4448 1 . ARG 14 14 4448 1 . ARG 15 15 4448 1 . ASN 16 16 4448 1 . VAL 17 17 4448 1 . GLY 18 18 4448 1 . ILE 19 19 4448 1 . CYS 20 20 4448 1 . LEU 21 21 4448 1 . MET 22 22 4448 1 . ASN 23 23 4448 1 . ASN 24 24 4448 1 . ASP 25 25 4448 1 . LYS 26 26 4448 1 . LYS 27 27 4448 1 . ILE 28 28 4448 1 . PHE 29 29 4448 1 . ALA 30 30 4448 1 . ALA 31 31 4448 1 . SER 32 32 4448 1 . ARG 33 33 4448 1 . LEU 34 34 4448 1 . ASP 35 35 4448 1 . ILE 36 36 4448 1 . PRO 37 37 4448 1 . ASP 38 38 4448 1 . ALA 39 39 4448 1 . TRP 40 40 4448 1 . GLN 41 41 4448 1 . MET 42 42 4448 1 . PRO 43 43 4448 1 . GLN 44 44 4448 1 . GLY 45 45 4448 1 . GLY 46 46 4448 1 . ILE 47 47 4448 1 . ASP 48 48 4448 1 . GLU 49 49 4448 1 . GLY 50 50 4448 1 . GLU 51 51 4448 1 . ASP 52 52 4448 1 . PRO 53 53 4448 1 . ARG 54 54 4448 1 . ASN 55 55 4448 1 . ALA 56 56 4448 1 . ALA 57 57 4448 1 . ILE 58 58 4448 1 . ARG 59 59 4448 1 . GLU 60 60 4448 1 . LEU 61 61 4448 1 . ARG 62 62 4448 1 . GLU 63 63 4448 1 . GLU 64 64 4448 1 . THR 65 65 4448 1 . GLY 66 66 4448 1 . VAL 67 67 4448 1 . THR 68 68 4448 1 . SER 69 69 4448 1 . ALA 70 70 4448 1 . GLU 71 71 4448 1 . VAL 72 72 4448 1 . ILE 73 73 4448 1 . ALA 74 74 4448 1 . GLU 75 75 4448 1 . VAL 76 76 4448 1 . PRO 77 77 4448 1 . TYR 78 78 4448 1 . TRP 79 79 4448 1 . LEU 80 80 4448 1 . THR 81 81 4448 1 . TYR 82 82 4448 1 . ASP 83 83 4448 1 . PHE 84 84 4448 1 . PRO 85 85 4448 1 . PRO 86 86 4448 1 . LYS 87 87 4448 1 . VAL 88 88 4448 1 . ARG 89 89 4448 1 . GLU 90 90 4448 1 . LYS 91 91 4448 1 . LEU 92 92 4448 1 . ASN 93 93 4448 1 . ILE 94 94 4448 1 . GLN 95 95 4448 1 . TRP 96 96 4448 1 . GLY 97 97 4448 1 . SER 98 98 4448 1 . ASP 99 99 4448 1 . TRP 100 100 4448 1 . LYS 101 101 4448 1 . GLY 102 102 4448 1 . GLN 103 103 4448 1 . ALA 104 104 4448 1 . GLN 105 105 4448 1 . LYS 106 106 4448 1 . TRP 107 107 4448 1 . PHE 108 108 4448 1 . LEU 109 109 4448 1 . PHE 110 110 4448 1 . LYS 111 111 4448 1 . PHE 112 112 4448 1 . THR 113 113 4448 1 . GLY 114 114 4448 1 . GLN 115 115 4448 1 . ASP 116 116 4448 1 . GLN 117 117 4448 1 . GLU 118 118 4448 1 . ILE 119 119 4448 1 . ASN 120 120 4448 1 . LEU 121 121 4448 1 . LEU 122 122 4448 1 . GLY 123 123 4448 1 . ASP 124 124 4448 1 . GLY 125 125 4448 1 . SER 126 126 4448 1 . GLU 127 127 4448 1 . LYS 128 128 4448 1 . PRO 129 129 4448 1 . GLU 130 130 4448 1 . PHE 131 131 4448 1 . GLY 132 132 4448 1 . GLU 133 133 4448 1 . TRP 134 134 4448 1 . SER 135 135 4448 1 . TRP 136 136 4448 1 . VAL 137 137 4448 1 . THR 138 138 4448 1 . PRO 139 139 4448 1 . GLU 140 140 4448 1 . GLN 141 141 4448 1 . LEU 142 142 4448 1 . ILE 143 143 4448 1 . ASP 144 144 4448 1 . LEU 145 145 4448 1 . THR 146 146 4448 1 . VAL 147 147 4448 1 . GLU 148 148 4448 1 . PHE 149 149 4448 1 . LYS 150 150 4448 1 . LYS 151 151 4448 1 . PRO 152 152 4448 1 . VAL 153 153 4448 1 . TYR 154 154 4448 1 . LYS 155 155 4448 1 . GLU 156 156 4448 1 . VAL 157 157 4448 1 . LEU 158 158 4448 1 . SER 159 159 4448 1 . VAL 160 160 4448 1 . PHE 161 161 4448 1 . ALA 162 162 4448 1 . PRO 163 163 4448 1 . HIS 164 164 4448 1 . LEU 165 165 4448 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 4448 _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 $Ap4a_hydrolase . 3871 . . 'Lupinus angustifolius' lupin . . Eukaryota Viridiplantae Lupinus angustifolius . Unicrop . seed cotyledon . . . . . . . . . . . . . . . . 4448 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 4448 _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 $Ap4a_hydrolase . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pGEX-6P-3 . . . ; Efficient production; GST tag gave higher yields to MBP or His tag ; . . 4448 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4448 _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 'Ap4a hydrolase' '[U-95% 13C; U-95% 15N]' . . 1 $Ap4a_hydrolase . . 0.8 . . mM . . . . 4448 1 2 'Sodium phosphate' . . . . . . . 45 . . mM . . . . 4448 1 3 EDTA . . . . . . . 2 . . mM . . . . 4448 1 4 DTT . . . . . . . 1.5 . . mM . . . . 4448 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4448 _Sample.ID 2 _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 'Ap4a hydrolase' '[U-95% 15N]' . . 1 $Ap4a_hydrolase . . . 0.8 1.2 mM . . . . 4448 2 2 'Sodium phosphate' . . . . . . . 45 . . mM . . . . 4448 2 3 EDTA . . . . . . . 2 . . mM . . . . 4448 2 4 DTT . . . . . . . 1.5 . . mM . . . . 4448 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 4448 _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 0.05 n/a 4448 1 temperature 298 0.1 K 4448 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4448 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 4448 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4448 _Software.ID 2 _Software.Name XEASY _Software.Version 1.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Analysis 4448 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4448 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4448 _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 Varian Inova . 600 . . . 4448 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 4448 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 3 HNHa . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 4 HNHb . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 5 CbCaNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 6 CbCa(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 8 (HCa)CO(Ca)HN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 9 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 10 C(CO)TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 11 'HCCH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 12 H(CCP)TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 13 (Hb)Cb(CgCd)Hd . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 14 (Hb)Cb(CgCdCe)He . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 15 '13C-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4448 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHa _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHb _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CbCaNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CbCa(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (HCa)CO(Ca)HN _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name C(CO)TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name H(CCP)TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name (Hb)Cb(CgCd)Hd _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name (Hb)Cb(CgCdCe)He _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4448 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '13C-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4448 _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 . . . . . . . . . 4448 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4448 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4448 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_shit_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shit_set_1 _Assigned_chem_shift_list.Entry_ID 4448 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _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 ; Chemical shift file produced from Dyana-1.5. Data is reported for the 160 residues of Ap4A hydrolase starting at Met-1. The five non-native residues PreScission protease recognition site are not included. ; _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 . 4448 1 . . 2 $sample_2 . 4448 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 6 6 MET N N 15 122.0 0.1 . 1 . . . . . . . . 4448 1 2 . 1 1 6 6 MET H H 1 8.77 0.03 . 1 . . . . . . . . 4448 1 3 . 1 1 6 6 MET CA C 13 54.8 0.1 . 1 . . . . . . . . 4448 1 4 . 1 1 6 6 MET HA H 1 4.80 0.03 . 1 . . . . . . . . 4448 1 5 . 1 1 6 6 MET CB C 13 34.7 0.1 . 1 . . . . . . . . 4448 1 6 . 1 1 6 6 MET HB2 H 1 2.23 0.03 . 2 . . . . . . . . 4448 1 7 . 1 1 6 6 MET HB3 H 1 1.86 0.03 . 2 . . . . . . . . 4448 1 8 . 1 1 6 6 MET CG C 13 32.0 0.1 . 1 . . . . . . . . 4448 1 9 . 1 1 6 6 MET HG2 H 1 2.50 0.03 . 1 . . . . . . . . 4448 1 10 . 1 1 6 6 MET HG3 H 1 2.50 0.03 . 1 . . . . . . . . 4448 1 11 . 1 1 6 6 MET HE1 H 1 1.97 0.03 . 1 . . . . . . . . 4448 1 12 . 1 1 6 6 MET HE2 H 1 1.97 0.03 . 1 . . . . . . . . 4448 1 13 . 1 1 6 6 MET HE3 H 1 1.97 0.03 . 1 . . . . . . . . 4448 1 14 . 1 1 6 6 MET CE C 13 16.8 0.1 . 1 . . . . . . . . 4448 1 15 . 1 1 6 6 MET C C 13 175.7 0.1 . 1 . . . . . . . . 4448 1 16 . 1 1 7 7 ASP N N 15 123.5 0.1 . 1 . . . . . . . . 4448 1 17 . 1 1 7 7 ASP H H 1 8.72 0.03 . 1 . . . . . . . . 4448 1 18 . 1 1 7 7 ASP CA C 13 56.0 0.1 . 1 . . . . . . . . 4448 1 19 . 1 1 7 7 ASP HA H 1 4.78 0.03 . 1 . . . . . . . . 4448 1 20 . 1 1 7 7 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . 4448 1 21 . 1 1 7 7 ASP HB2 H 1 2.80 0.03 . 2 . . . . . . . . 4448 1 22 . 1 1 7 7 ASP HB3 H 1 2.77 0.03 . 2 . . . . . . . . 4448 1 23 . 1 1 7 7 ASP C C 13 176.2 0.1 . 1 . . . . . . . . 4448 1 24 . 1 1 8 8 SER N N 15 114.9 0.1 . 1 . . . . . . . . 4448 1 25 . 1 1 8 8 SER H H 1 7.78 0.03 . 1 . . . . . . . . 4448 1 26 . 1 1 8 8 SER CA C 13 55.2 0.1 . 1 . . . . . . . . 4448 1 27 . 1 1 8 8 SER HA H 1 4.64 0.03 . 1 . . . . . . . . 4448 1 28 . 1 1 8 8 SER CB C 13 63.6 0.1 . 1 . . . . . . . . 4448 1 29 . 1 1 8 8 SER HB2 H 1 3.70 0.03 . 2 . . . . . . . . 4448 1 30 . 1 1 8 8 SER HB3 H 1 3.61 0.03 . 2 . . . . . . . . 4448 1 31 . 1 1 8 8 SER C C 13 171.1 0.1 . 1 . . . . . . . . 4448 1 32 . 1 1 9 9 PRO CD C 13 48.7 0.1 . 1 . . . . . . . . 4448 1 33 . 1 1 9 9 PRO CA C 13 60.3 0.1 . 1 . . . . . . . . 4448 1 34 . 1 1 9 9 PRO HA H 1 3.88 0.03 . 1 . . . . . . . . 4448 1 35 . 1 1 9 9 PRO CB C 13 29.6 0.1 . 1 . . . . . . . . 4448 1 36 . 1 1 9 9 PRO HB2 H 1 1.37 0.03 . 2 . . . . . . . . 4448 1 37 . 1 1 9 9 PRO HB3 H 1 0.77 0.03 . 2 . . . . . . . . 4448 1 38 . 1 1 9 9 PRO CG C 13 26.1 0.1 . 1 . . . . . . . . 4448 1 39 . 1 1 9 9 PRO HG2 H 1 1.22 0.03 . 2 . . . . . . . . 4448 1 40 . 1 1 9 9 PRO HG3 H 1 0.41 0.03 . 2 . . . . . . . . 4448 1 41 . 1 1 9 9 PRO HD2 H 1 3.08 0.03 . 2 . . . . . . . . 4448 1 42 . 1 1 9 9 PRO HD3 H 1 2.35 0.03 . 2 . . . . . . . . 4448 1 43 . 1 1 9 9 PRO C C 13 173.9 0.1 . 1 . . . . . . . . 4448 1 44 . 1 1 10 10 PRO CD C 13 50.1 0.1 . 1 . . . . . . . . 4448 1 45 . 1 1 10 10 PRO CA C 13 61.9 0.1 . 1 . . . . . . . . 4448 1 46 . 1 1 10 10 PRO HA H 1 4.39 0.03 . 1 . . . . . . . . 4448 1 47 . 1 1 10 10 PRO CB C 13 31.4 0.1 . 1 . . . . . . . . 4448 1 48 . 1 1 10 10 PRO HB3 H 1 1.71 0.03 . 2 . . . . . . . . 4448 1 49 . 1 1 10 10 PRO CG C 13 31.4 0.1 . 1 . . . . . . . . 4448 1 50 . 1 1 10 10 PRO HG2 H 1 2.19 0.03 . 2 . . . . . . . . 4448 1 51 . 1 1 10 10 PRO HG3 H 1 1.38 0.03 . 2 . . . . . . . . 4448 1 52 . 1 1 10 10 PRO HD2 H 1 3.60 0.03 . 2 . . . . . . . . 4448 1 53 . 1 1 10 10 PRO HD3 H 1 2.69 0.03 . 2 . . . . . . . . 4448 1 54 . 1 1 10 10 PRO C C 13 176.4 0.1 . 1 . . . . . . . . 4448 1 55 . 1 1 11 11 GLU N N 15 123.4 0.1 . 1 . . . . . . . . 4448 1 56 . 1 1 11 11 GLU H H 1 8.59 0.03 . 1 . . . . . . . . 4448 1 57 . 1 1 11 11 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 4448 1 58 . 1 1 11 11 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 4448 1 59 . 1 1 11 11 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 4448 1 60 . 1 1 11 11 GLU HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4448 1 61 . 1 1 11 11 GLU HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4448 1 62 . 1 1 11 11 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 4448 1 63 . 1 1 11 11 GLU HG2 H 1 2.29 0.03 . 1 . . . . . . . . 4448 1 64 . 1 1 11 11 GLU HG3 H 1 2.29 0.03 . 1 . . . . . . . . 4448 1 65 . 1 1 11 11 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 4448 1 66 . 1 1 12 12 GLY N N 15 111.7 0.1 . 1 . . . . . . . . 4448 1 67 . 1 1 12 12 GLY H H 1 9.01 0.03 . 1 . . . . . . . . 4448 1 68 . 1 1 12 12 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 4448 1 69 . 1 1 12 12 GLY HA2 H 1 4.12 0.03 . 2 . . . . . . . . 4448 1 70 . 1 1 12 12 GLY HA3 H 1 3.76 0.03 . 2 . . . . . . . . 4448 1 71 . 1 1 12 12 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 4448 1 72 . 1 1 13 13 TYR N N 15 119.9 0.1 . 1 . . . . . . . . 4448 1 73 . 1 1 13 13 TYR H H 1 7.51 0.03 . 1 . . . . . . . . 4448 1 74 . 1 1 13 13 TYR CA C 13 56.9 0.1 . 1 . . . . . . . . 4448 1 75 . 1 1 13 13 TYR HA H 1 4.60 0.03 . 1 . . . . . . . . 4448 1 76 . 1 1 13 13 TYR CB C 13 39.1 0.1 . 1 . . . . . . . . 4448 1 77 . 1 1 13 13 TYR HB2 H 1 2.79 0.03 . 2 . . . . . . . . 4448 1 78 . 1 1 13 13 TYR HB3 H 1 2.28 0.03 . 2 . . . . . . . . 4448 1 79 . 1 1 13 13 TYR HD1 H 1 6.67 0.03 . 1 . . . . . . . . 4448 1 80 . 1 1 13 13 TYR HD2 H 1 6.67 0.03 . 1 . . . . . . . . 4448 1 81 . 1 1 13 13 TYR C C 13 175.4 0.1 . 1 . . . . . . . . 4448 1 82 . 1 1 14 14 ARG N N 15 126.0 0.1 . 1 . . . . . . . . 4448 1 83 . 1 1 14 14 ARG H H 1 8.56 0.03 . 1 . . . . . . . . 4448 1 84 . 1 1 14 14 ARG CA C 13 55.3 0.1 . 1 . . . . . . . . 4448 1 85 . 1 1 14 14 ARG HA H 1 3.83 0.03 . 1 . . . . . . . . 4448 1 86 . 1 1 14 14 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 4448 1 87 . 1 1 14 14 ARG HB2 H 1 1.56 0.03 . 2 . . . . . . . . 4448 1 88 . 1 1 14 14 ARG HB3 H 1 0.94 0.03 . 2 . . . . . . . . 4448 1 89 . 1 1 14 14 ARG CG C 13 29.8 0.1 . 1 . . . . . . . . 4448 1 90 . 1 1 14 14 ARG HG2 H 1 0.98 0.03 . 1 . . . . . . . . 4448 1 91 . 1 1 14 14 ARG HG3 H 1 0.98 0.03 . 1 . . . . . . . . 4448 1 92 . 1 1 14 14 ARG CD C 13 41.9 0.1 . 1 . . . . . . . . 4448 1 93 . 1 1 14 14 ARG HD2 H 1 2.20 0.03 . 2 . . . . . . . . 4448 1 94 . 1 1 14 14 ARG HD3 H 1 2.10 0.03 . 2 . . . . . . . . 4448 1 95 . 1 1 14 14 ARG C C 13 176.3 0.1 . 1 . . . . . . . . 4448 1 96 . 1 1 15 15 ARG N N 15 128.1 0.1 . 1 . . . . . . . . 4448 1 97 . 1 1 15 15 ARG H H 1 9.14 0.03 . 1 . . . . . . . . 4448 1 98 . 1 1 15 15 ARG CA C 13 57.1 0.1 . 1 . . . . . . . . 4448 1 99 . 1 1 15 15 ARG HA H 1 5.00 0.03 . 1 . . . . . . . . 4448 1 100 . 1 1 15 15 ARG CB C 13 31.4 0.1 . 1 . . . . . . . . 4448 1 101 . 1 1 15 15 ARG HB2 H 1 2.02 0.03 . 1 . . . . . . . . 4448 1 102 . 1 1 15 15 ARG HB3 H 1 2.02 0.03 . 1 . . . . . . . . 4448 1 103 . 1 1 15 15 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 4448 1 104 . 1 1 15 15 ARG HG2 H 1 1.81 0.03 . 2 . . . . . . . . 4448 1 105 . 1 1 15 15 ARG HG3 H 1 1.08 0.03 . 2 . . . . . . . . 4448 1 106 . 1 1 15 15 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . 4448 1 107 . 1 1 15 15 ARG HD2 H 1 3.54 0.03 . 1 . . . . . . . . 4448 1 108 . 1 1 15 15 ARG HD3 H 1 3.54 0.03 . 1 . . . . . . . . 4448 1 109 . 1 1 15 15 ARG C C 13 176.5 0.1 . 1 . . . . . . . . 4448 1 110 . 1 1 16 16 ASN N N 15 125.2 0.1 . 1 . . . . . . . . 4448 1 111 . 1 1 16 16 ASN H H 1 9.55 0.03 . 1 . . . . . . . . 4448 1 112 . 1 1 16 16 ASN CA C 13 52.0 0.1 . 1 . . . . . . . . 4448 1 113 . 1 1 16 16 ASN HA H 1 5.47 0.03 . 1 . . . . . . . . 4448 1 114 . 1 1 16 16 ASN CB C 13 44.4 0.1 . 1 . . . . . . . . 4448 1 115 . 1 1 16 16 ASN HB2 H 1 2.54 0.03 . 2 . . . . . . . . 4448 1 116 . 1 1 16 16 ASN HB3 H 1 2.51 0.03 . 2 . . . . . . . . 4448 1 117 . 1 1 16 16 ASN ND2 N 15 109.9 0.1 . 1 . . . . . . . . 4448 1 118 . 1 1 16 16 ASN HD21 H 1 7.09 0.03 . 2 . . . . . . . . 4448 1 119 . 1 1 16 16 ASN HD22 H 1 6.82 0.03 . 2 . . . . . . . . 4448 1 120 . 1 1 16 16 ASN C C 13 172.9 0.1 . 1 . . . . . . . . 4448 1 121 . 1 1 17 17 VAL N N 15 118.3 0.1 . 1 . . . . . . . . 4448 1 122 . 1 1 17 17 VAL H H 1 9.26 0.03 . 1 . . . . . . . . 4448 1 123 . 1 1 17 17 VAL CA C 13 57.9 0.1 . 1 . . . . . . . . 4448 1 124 . 1 1 17 17 VAL HA H 1 5.33 0.03 . 1 . . . . . . . . 4448 1 125 . 1 1 17 17 VAL CB C 13 35.0 0.1 . 1 . . . . . . . . 4448 1 126 . 1 1 17 17 VAL HB H 1 1.79 0.03 . 1 . . . . . . . . 4448 1 127 . 1 1 17 17 VAL HG11 H 1 0.85 0.03 . 2 . . . . . . . . 4448 1 128 . 1 1 17 17 VAL HG12 H 1 0.85 0.03 . 2 . . . . . . . . 4448 1 129 . 1 1 17 17 VAL HG13 H 1 0.85 0.03 . 2 . . . . . . . . 4448 1 130 . 1 1 17 17 VAL HG21 H 1 0.81 0.03 . 2 . . . . . . . . 4448 1 131 . 1 1 17 17 VAL HG22 H 1 0.81 0.03 . 2 . . . . . . . . 4448 1 132 . 1 1 17 17 VAL HG23 H 1 0.81 0.03 . 2 . . . . . . . . 4448 1 133 . 1 1 17 17 VAL CG1 C 13 20.2 0.1 . 1 . . . . . . . . 4448 1 134 . 1 1 17 17 VAL CG2 C 13 19.7 0.1 . 1 . . . . . . . . 4448 1 135 . 1 1 17 17 VAL C C 13 173.1 0.1 . 1 . . . . . . . . 4448 1 136 . 1 1 18 18 GLY N N 15 111.8 0.1 . 1 . . . . . . . . 4448 1 137 . 1 1 18 18 GLY H H 1 7.98 0.03 . 1 . . . . . . . . 4448 1 138 . 1 1 18 18 GLY CA C 13 42.4 0.1 . 1 . . . . . . . . 4448 1 139 . 1 1 18 18 GLY HA2 H 1 4.06 0.03 . 2 . . . . . . . . 4448 1 140 . 1 1 18 18 GLY HA3 H 1 0.39 0.03 . 2 . . . . . . . . 4448 1 141 . 1 1 18 18 GLY C C 13 172.3 0.1 . 1 . . . . . . . . 4448 1 142 . 1 1 19 19 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 4448 1 143 . 1 1 19 19 ILE H H 1 7.97 0.03 . 1 . . . . . . . . 4448 1 144 . 1 1 19 19 ILE CA C 13 61.6 0.1 . 1 . . . . . . . . 4448 1 145 . 1 1 19 19 ILE HA H 1 4.59 0.03 . 1 . . . . . . . . 4448 1 146 . 1 1 19 19 ILE CB C 13 41.4 0.1 . 1 . . . . . . . . 4448 1 147 . 1 1 19 19 ILE HB H 1 1.47 0.03 . 1 . . . . . . . . 4448 1 148 . 1 1 19 19 ILE HG21 H 1 0.40 0.03 . 1 . . . . . . . . 4448 1 149 . 1 1 19 19 ILE HG22 H 1 0.40 0.03 . 1 . . . . . . . . 4448 1 150 . 1 1 19 19 ILE HG23 H 1 0.40 0.03 . 1 . . . . . . . . 4448 1 151 . 1 1 19 19 ILE CG2 C 13 20.9 0.1 . 1 . . . . . . . . 4448 1 152 . 1 1 19 19 ILE CG1 C 13 29.9 0.1 . 1 . . . . . . . . 4448 1 153 . 1 1 19 19 ILE HG12 H 1 1.04 0.03 . 2 . . . . . . . . 4448 1 154 . 1 1 19 19 ILE HG13 H 1 0.80 0.03 . 2 . . . . . . . . 4448 1 155 . 1 1 19 19 ILE HD11 H 1 0.56 0.03 . 1 . . . . . . . . 4448 1 156 . 1 1 19 19 ILE HD12 H 1 0.56 0.03 . 1 . . . . . . . . 4448 1 157 . 1 1 19 19 ILE HD13 H 1 0.56 0.03 . 1 . . . . . . . . 4448 1 158 . 1 1 19 19 ILE CD1 C 13 16.4 0.1 . 1 . . . . . . . . 4448 1 159 . 1 1 19 19 ILE C C 13 173.2 0.1 . 1 . . . . . . . . 4448 1 160 . 1 1 20 20 CYS N N 15 131.1 0.1 . 1 . . . . . . . . 4448 1 161 . 1 1 20 20 CYS H H 1 9.30 0.03 . 1 . . . . . . . . 4448 1 162 . 1 1 20 20 CYS CA C 13 57.7 0.1 . 1 . . . . . . . . 4448 1 163 . 1 1 20 20 CYS HA H 1 5.15 0.03 . 1 . . . . . . . . 4448 1 164 . 1 1 20 20 CYS CB C 13 27.2 0.1 . 1 . . . . . . . . 4448 1 165 . 1 1 20 20 CYS HB2 H 1 3.16 0.03 . 2 . . . . . . . . 4448 1 166 . 1 1 20 20 CYS HB3 H 1 2.82 0.03 . 2 . . . . . . . . 4448 1 167 . 1 1 20 20 CYS C C 13 171.9 0.1 . 1 . . . . . . . . 4448 1 168 . 1 1 21 21 LEU N N 15 134.2 0.1 . 1 . . . . . . . . 4448 1 169 . 1 1 21 21 LEU H H 1 10.03 0.03 . 1 . . . . . . . . 4448 1 170 . 1 1 21 21 LEU CA C 13 53.5 0.1 . 1 . . . . . . . . 4448 1 171 . 1 1 21 21 LEU HA H 1 5.07 0.03 . 1 . . . . . . . . 4448 1 172 . 1 1 21 21 LEU CB C 13 43.7 0.1 . 1 . . . . . . . . 4448 1 173 . 1 1 21 21 LEU HB2 H 1 2.24 0.03 . 2 . . . . . . . . 4448 1 174 . 1 1 21 21 LEU HB3 H 1 0.78 0.03 . 2 . . . . . . . . 4448 1 175 . 1 1 21 21 LEU HG H 1 0.83 0.03 . 1 . . . . . . . . 4448 1 176 . 1 1 21 21 LEU HD11 H 1 0.26 0.03 . 2 . . . . . . . . 4448 1 177 . 1 1 21 21 LEU HD12 H 1 0.26 0.03 . 2 . . . . . . . . 4448 1 178 . 1 1 21 21 LEU HD13 H 1 0.26 0.03 . 2 . . . . . . . . 4448 1 179 . 1 1 21 21 LEU HD21 H 1 0.80 0.03 . 2 . . . . . . . . 4448 1 180 . 1 1 21 21 LEU HD22 H 1 0.80 0.03 . 2 . . . . . . . . 4448 1 181 . 1 1 21 21 LEU HD23 H 1 0.80 0.03 . 2 . . . . . . . . 4448 1 182 . 1 1 21 21 LEU CD1 C 13 25.1 0.1 . 1 . . . . . . . . 4448 1 183 . 1 1 21 21 LEU CD2 C 13 24.9 0.1 . 1 . . . . . . . . 4448 1 184 . 1 1 21 21 LEU C C 13 173.7 0.1 . 1 . . . . . . . . 4448 1 185 . 1 1 22 22 MET N N 15 126.9 0.1 . 1 . . . . . . . . 4448 1 186 . 1 1 22 22 MET H H 1 9.27 0.03 . 1 . . . . . . . . 4448 1 187 . 1 1 22 22 MET CA C 13 53.0 0.1 . 1 . . . . . . . . 4448 1 188 . 1 1 22 22 MET HA H 1 6.25 0.03 . 1 . . . . . . . . 4448 1 189 . 1 1 22 22 MET CB C 13 36.1 0.1 . 1 . . . . . . . . 4448 1 190 . 1 1 22 22 MET HB2 H 1 1.95 0.03 . 2 . . . . . . . . 4448 1 191 . 1 1 22 22 MET HB3 H 1 1.87 0.03 . 2 . . . . . . . . 4448 1 192 . 1 1 22 22 MET CG C 13 30.9 0.1 . 1 . . . . . . . . 4448 1 193 . 1 1 22 22 MET HG2 H 1 2.75 0.03 . 2 . . . . . . . . 4448 1 194 . 1 1 22 22 MET HG3 H 1 2.39 0.03 . 2 . . . . . . . . 4448 1 195 . 1 1 22 22 MET HE1 H 1 2.06 0.03 . 1 . . . . . . . . 4448 1 196 . 1 1 22 22 MET HE2 H 1 2.06 0.03 . 1 . . . . . . . . 4448 1 197 . 1 1 22 22 MET HE3 H 1 2.06 0.03 . 1 . . . . . . . . 4448 1 198 . 1 1 22 22 MET CE C 13 17.1 0.1 . 1 . . . . . . . . 4448 1 199 . 1 1 22 22 MET C C 13 175.2 0.1 . 1 . . . . . . . . 4448 1 200 . 1 1 23 23 ASN N N 15 123.4 0.1 . 1 . . . . . . . . 4448 1 201 . 1 1 23 23 ASN H H 1 8.60 0.03 . 1 . . . . . . . . 4448 1 202 . 1 1 23 23 ASN CA C 13 49.8 0.1 . 1 . . . . . . . . 4448 1 203 . 1 1 23 23 ASN HA H 1 4.95 0.03 . 1 . . . . . . . . 4448 1 204 . 1 1 23 23 ASN CB C 13 37.5 0.1 . 1 . . . . . . . . 4448 1 205 . 1 1 23 23 ASN HB2 H 1 3.04 0.03 . 2 . . . . . . . . 4448 1 206 . 1 1 23 23 ASN HB3 H 1 0.91 0.03 . 2 . . . . . . . . 4448 1 207 . 1 1 23 23 ASN ND2 N 15 114.3 0.1 . 1 . . . . . . . . 4448 1 208 . 1 1 23 23 ASN HD21 H 1 7.58 0.03 . 2 . . . . . . . . 4448 1 209 . 1 1 23 23 ASN HD22 H 1 6.99 0.03 . 2 . . . . . . . . 4448 1 210 . 1 1 23 23 ASN C C 13 178.2 0.1 . 1 . . . . . . . . 4448 1 211 . 1 1 24 24 ASN N N 15 118.0 0.1 . 1 . . . . . . . . 4448 1 212 . 1 1 24 24 ASN H H 1 8.65 0.03 . 1 . . . . . . . . 4448 1 213 . 1 1 24 24 ASN CA C 13 55.4 0.1 . 1 . . . . . . . . 4448 1 214 . 1 1 24 24 ASN HA H 1 4.38 0.03 . 1 . . . . . . . . 4448 1 215 . 1 1 24 24 ASN CB C 13 38.0 0.1 . 1 . . . . . . . . 4448 1 216 . 1 1 24 24 ASN HB2 H 1 2.76 0.03 . 2 . . . . . . . . 4448 1 217 . 1 1 24 24 ASN HB3 H 1 2.73 0.03 . 2 . . . . . . . . 4448 1 218 . 1 1 24 24 ASN C C 13 175.8 0.1 . 1 . . . . . . . . 4448 1 219 . 1 1 25 25 ASP N N 15 119.1 0.1 . 1 . . . . . . . . 4448 1 220 . 1 1 25 25 ASP H H 1 7.19 0.03 . 1 . . . . . . . . 4448 1 221 . 1 1 25 25 ASP CA C 13 53.8 0.1 . 1 . . . . . . . . 4448 1 222 . 1 1 25 25 ASP HA H 1 4.72 0.03 . 1 . . . . . . . . 4448 1 223 . 1 1 25 25 ASP CB C 13 40.9 0.1 . 1 . . . . . . . . 4448 1 224 . 1 1 25 25 ASP HB2 H 1 2.77 0.03 . 2 . . . . . . . . 4448 1 225 . 1 1 25 25 ASP HB3 H 1 2.35 0.03 . 2 . . . . . . . . 4448 1 226 . 1 1 25 25 ASP C C 13 174.6 0.1 . 1 . . . . . . . . 4448 1 227 . 1 1 26 26 LYS N N 15 114.2 0.1 . 1 . . . . . . . . 4448 1 228 . 1 1 26 26 LYS H H 1 8.16 0.03 . 1 . . . . . . . . 4448 1 229 . 1 1 26 26 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 4448 1 230 . 1 1 26 26 LYS HA H 1 3.73 0.03 . 1 . . . . . . . . 4448 1 231 . 1 1 26 26 LYS CB C 13 28.8 0.1 . 1 . . . . . . . . 4448 1 232 . 1 1 26 26 LYS HB2 H 1 1.74 0.03 . 1 . . . . . . . . 4448 1 233 . 1 1 26 26 LYS HB3 H 1 1.74 0.03 . 1 . . . . . . . . 4448 1 234 . 1 1 26 26 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 4448 1 235 . 1 1 26 26 LYS HG2 H 1 1.36 0.03 . 1 . . . . . . . . 4448 1 236 . 1 1 26 26 LYS HG3 H 1 1.36 0.03 . 1 . . . . . . . . 4448 1 237 . 1 1 26 26 LYS CE C 13 41.9 0.1 . 1 . . . . . . . . 4448 1 238 . 1 1 26 26 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 4448 1 239 . 1 1 26 26 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 4448 1 240 . 1 1 26 26 LYS C C 13 174.7 0.1 . 1 . . . . . . . . 4448 1 241 . 1 1 27 27 LYS N N 15 116.5 0.1 . 1 . . . . . . . . 4448 1 242 . 1 1 27 27 LYS H H 1 7.41 0.03 . 1 . . . . . . . . 4448 1 243 . 1 1 27 27 LYS CA C 13 54.7 0.1 . 1 . . . . . . . . 4448 1 244 . 1 1 27 27 LYS HA H 1 4.55 0.03 . 1 . . . . . . . . 4448 1 245 . 1 1 27 27 LYS CB C 13 34.8 0.1 . 1 . . . . . . . . 4448 1 246 . 1 1 27 27 LYS HB2 H 1 1.88 0.03 . 2 . . . . . . . . 4448 1 247 . 1 1 27 27 LYS HB3 H 1 1.60 0.03 . 2 . . . . . . . . 4448 1 248 . 1 1 27 27 LYS CG C 13 26.0 0.1 . 1 . . . . . . . . 4448 1 249 . 1 1 27 27 LYS HG2 H 1 1.47 0.03 . 2 . . . . . . . . 4448 1 250 . 1 1 27 27 LYS HG3 H 1 1.08 0.03 . 2 . . . . . . . . 4448 1 251 . 1 1 27 27 LYS CD C 13 28.6 0.1 . 1 . . . . . . . . 4448 1 252 . 1 1 27 27 LYS HD2 H 1 1.55 0.03 . 1 . . . . . . . . 4448 1 253 . 1 1 27 27 LYS HD3 H 1 1.55 0.03 . 1 . . . . . . . . 4448 1 254 . 1 1 27 27 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 4448 1 255 . 1 1 27 27 LYS HE2 H 1 2.90 0.03 . 1 . . . . . . . . 4448 1 256 . 1 1 27 27 LYS HE3 H 1 2.90 0.03 . 1 . . . . . . . . 4448 1 257 . 1 1 27 27 LYS C C 13 174.7 0.1 . 1 . . . . . . . . 4448 1 258 . 1 1 28 28 ILE N N 15 118.0 0.1 . 1 . . . . . . . . 4448 1 259 . 1 1 28 28 ILE H H 1 9.66 0.03 . 1 . . . . . . . . 4448 1 260 . 1 1 28 28 ILE CA C 13 59.4 0.1 . 1 . . . . . . . . 4448 1 261 . 1 1 28 28 ILE HA H 1 5.36 0.03 . 1 . . . . . . . . 4448 1 262 . 1 1 28 28 ILE CB C 13 41.2 0.1 . 1 . . . . . . . . 4448 1 263 . 1 1 28 28 ILE HB H 1 1.70 0.03 . 1 . . . . . . . . 4448 1 264 . 1 1 28 28 ILE HG21 H 1 1.11 0.03 . 1 . . . . . . . . 4448 1 265 . 1 1 28 28 ILE HG22 H 1 1.11 0.03 . 1 . . . . . . . . 4448 1 266 . 1 1 28 28 ILE HG23 H 1 1.11 0.03 . 1 . . . . . . . . 4448 1 267 . 1 1 28 28 ILE CG2 C 13 19.0 0.1 . 1 . . . . . . . . 4448 1 268 . 1 1 28 28 ILE CG1 C 13 27.1 0.1 . 1 . . . . . . . . 4448 1 269 . 1 1 28 28 ILE HG12 H 1 1.41 0.03 . 2 . . . . . . . . 4448 1 270 . 1 1 28 28 ILE HG13 H 1 1.06 0.03 . 2 . . . . . . . . 4448 1 271 . 1 1 28 28 ILE HD11 H 1 0.76 0.03 . 1 . . . . . . . . 4448 1 272 . 1 1 28 28 ILE HD12 H 1 0.76 0.03 . 1 . . . . . . . . 4448 1 273 . 1 1 28 28 ILE HD13 H 1 0.76 0.03 . 1 . . . . . . . . 4448 1 274 . 1 1 28 28 ILE CD1 C 13 14.1 0.1 . 1 . . . . . . . . 4448 1 275 . 1 1 28 28 ILE C C 13 176.2 0.1 . 1 . . . . . . . . 4448 1 276 . 1 1 29 29 PHE N N 15 128.1 0.1 . 1 . . . . . . . . 4448 1 277 . 1 1 29 29 PHE H H 1 9.18 0.03 . 1 . . . . . . . . 4448 1 278 . 1 1 29 29 PHE CA C 13 59.6 0.1 . 1 . . . . . . . . 4448 1 279 . 1 1 29 29 PHE HA H 1 4.16 0.03 . 1 . . . . . . . . 4448 1 280 . 1 1 29 29 PHE CB C 13 39.7 0.1 . 1 . . . . . . . . 4448 1 281 . 1 1 29 29 PHE HB2 H 1 3.19 0.03 . 2 . . . . . . . . 4448 1 282 . 1 1 29 29 PHE HB3 H 1 2.73 0.03 . 2 . . . . . . . . 4448 1 283 . 1 1 29 29 PHE HD1 H 1 6.19 0.03 . 1 . . . . . . . . 4448 1 284 . 1 1 29 29 PHE HD2 H 1 6.19 0.03 . 1 . . . . . . . . 4448 1 285 . 1 1 29 29 PHE C C 13 173.8 0.1 . 1 . . . . . . . . 4448 1 286 . 1 1 30 30 ALA N N 15 131.5 0.1 . 1 . . . . . . . . 4448 1 287 . 1 1 30 30 ALA H H 1 8.29 0.03 . 1 . . . . . . . . 4448 1 288 . 1 1 30 30 ALA CA C 13 49.8 0.1 . 1 . . . . . . . . 4448 1 289 . 1 1 30 30 ALA HA H 1 4.71 0.03 . 1 . . . . . . . . 4448 1 290 . 1 1 30 30 ALA HB1 H 1 1.19 0.03 . 1 . . . . . . . . 4448 1 291 . 1 1 30 30 ALA HB2 H 1 1.19 0.03 . 1 . . . . . . . . 4448 1 292 . 1 1 30 30 ALA HB3 H 1 1.19 0.03 . 1 . . . . . . . . 4448 1 293 . 1 1 30 30 ALA CB C 13 23.1 0.1 . 1 . . . . . . . . 4448 1 294 . 1 1 30 30 ALA C C 13 173.5 0.1 . 1 . . . . . . . . 4448 1 295 . 1 1 31 31 ALA N N 15 121.1 0.1 . 1 . . . . . . . . 4448 1 296 . 1 1 31 31 ALA H H 1 8.67 0.03 . 1 . . . . . . . . 4448 1 297 . 1 1 31 31 ALA CA C 13 50.4 0.1 . 1 . . . . . . . . 4448 1 298 . 1 1 31 31 ALA HA H 1 5.06 0.03 . 1 . . . . . . . . 4448 1 299 . 1 1 31 31 ALA HB1 H 1 0.58 0.03 . 1 . . . . . . . . 4448 1 300 . 1 1 31 31 ALA HB2 H 1 0.58 0.03 . 1 . . . . . . . . 4448 1 301 . 1 1 31 31 ALA HB3 H 1 0.58 0.03 . 1 . . . . . . . . 4448 1 302 . 1 1 31 31 ALA CB C 13 21.7 0.1 . 1 . . . . . . . . 4448 1 303 . 1 1 31 31 ALA C C 13 175.1 0.1 . 1 . . . . . . . . 4448 1 304 . 1 1 32 32 SER N N 15 116.0 0.1 . 1 . . . . . . . . 4448 1 305 . 1 1 32 32 SER H H 1 8.09 0.03 . 1 . . . . . . . . 4448 1 306 . 1 1 32 32 SER CA C 13 54.2 0.1 . 1 . . . . . . . . 4448 1 307 . 1 1 32 32 SER HA H 1 4.56 0.03 . 1 . . . . . . . . 4448 1 308 . 1 1 32 32 SER CB C 13 63.7 0.1 . 1 . . . . . . . . 4448 1 309 . 1 1 32 32 SER HB2 H 1 2.60 0.03 . 2 . . . . . . . . 4448 1 310 . 1 1 32 32 SER HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4448 1 311 . 1 1 32 32 SER C C 13 175.5 0.1 . 1 . . . . . . . . 4448 1 312 . 1 1 33 33 ARG N N 15 125.3 0.1 . 1 . . . . . . . . 4448 1 313 . 1 1 33 33 ARG H H 1 8.36 0.03 . 1 . . . . . . . . 4448 1 314 . 1 1 33 33 ARG CA C 13 56.6 0.1 . 1 . . . . . . . . 4448 1 315 . 1 1 33 33 ARG HA H 1 4.53 0.03 . 1 . . . . . . . . 4448 1 316 . 1 1 33 33 ARG CB C 13 32.2 0.1 . 1 . . . . . . . . 4448 1 317 . 1 1 33 33 ARG HB2 H 1 1.94 0.03 . 1 . . . . . . . . 4448 1 318 . 1 1 33 33 ARG HB3 H 1 1.94 0.03 . 1 . . . . . . . . 4448 1 319 . 1 1 33 33 ARG CD C 13 42.5 0.1 . 1 . . . . . . . . 4448 1 320 . 1 1 33 33 ARG HD2 H 1 3.45 0.03 . 2 . . . . . . . . 4448 1 321 . 1 1 33 33 ARG HD3 H 1 3.00 0.03 . 2 . . . . . . . . 4448 1 322 . 1 1 33 33 ARG C C 13 177.4 0.1 . 1 . . . . . . . . 4448 1 323 . 1 1 34 34 LEU N N 15 123.3 0.1 . 1 . . . . . . . . 4448 1 324 . 1 1 34 34 LEU H H 1 8.22 0.03 . 1 . . . . . . . . 4448 1 325 . 1 1 34 34 LEU CA C 13 56.8 0.1 . 1 . . . . . . . . 4448 1 326 . 1 1 34 34 LEU HA H 1 3.98 0.03 . 1 . . . . . . . . 4448 1 327 . 1 1 34 34 LEU CB C 13 42.2 0.1 . 1 . . . . . . . . 4448 1 328 . 1 1 34 34 LEU HB2 H 1 1.44 0.03 . 2 . . . . . . . . 4448 1 329 . 1 1 34 34 LEU HB3 H 1 1.32 0.03 . 2 . . . . . . . . 4448 1 330 . 1 1 34 34 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 4448 1 331 . 1 1 34 34 LEU HG H 1 1.30 0.03 . 1 . . . . . . . . 4448 1 332 . 1 1 34 34 LEU HD11 H 1 0.80 0.03 . 2 . . . . . . . . 4448 1 333 . 1 1 34 34 LEU HD12 H 1 0.80 0.03 . 2 . . . . . . . . 4448 1 334 . 1 1 34 34 LEU HD13 H 1 0.80 0.03 . 2 . . . . . . . . 4448 1 335 . 1 1 34 34 LEU HD21 H 1 0.72 0.03 . 2 . . . . . . . . 4448 1 336 . 1 1 34 34 LEU HD22 H 1 0.72 0.03 . 2 . . . . . . . . 4448 1 337 . 1 1 34 34 LEU HD23 H 1 0.72 0.03 . 2 . . . . . . . . 4448 1 338 . 1 1 34 34 LEU CD1 C 13 23.9 0.1 . 1 . . . . . . . . 4448 1 339 . 1 1 34 34 LEU CD2 C 13 24.5 0.1 . 1 . . . . . . . . 4448 1 340 . 1 1 34 34 LEU C C 13 177.9 0.1 . 1 . . . . . . . . 4448 1 341 . 1 1 35 35 ASP N N 15 116.1 0.1 . 1 . . . . . . . . 4448 1 342 . 1 1 35 35 ASP H H 1 8.67 0.03 . 1 . . . . . . . . 4448 1 343 . 1 1 35 35 ASP CA C 13 54.8 0.1 . 1 . . . . . . . . 4448 1 344 . 1 1 35 35 ASP HA H 1 4.34 0.03 . 1 . . . . . . . . 4448 1 345 . 1 1 35 35 ASP CB C 13 39.3 0.1 . 1 . . . . . . . . 4448 1 346 . 1 1 35 35 ASP HB2 H 1 2.74 0.03 . 2 . . . . . . . . 4448 1 347 . 1 1 35 35 ASP HB3 H 1 2.70 0.03 . 2 . . . . . . . . 4448 1 348 . 1 1 35 35 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 4448 1 349 . 1 1 36 36 ILE N N 15 120.3 0.1 . 1 . . . . . . . . 4448 1 350 . 1 1 36 36 ILE H H 1 7.02 0.03 . 1 . . . . . . . . 4448 1 351 . 1 1 36 36 ILE CA C 13 58.3 0.1 . 1 . . . . . . . . 4448 1 352 . 1 1 36 36 ILE HA H 1 4.48 0.03 . 1 . . . . . . . . 4448 1 353 . 1 1 36 36 ILE CB C 13 39.3 0.1 . 1 . . . . . . . . 4448 1 354 . 1 1 36 36 ILE HB H 1 1.76 0.03 . 1 . . . . . . . . 4448 1 355 . 1 1 36 36 ILE HG21 H 1 0.93 0.03 . 1 . . . . . . . . 4448 1 356 . 1 1 36 36 ILE HG22 H 1 0.93 0.03 . 1 . . . . . . . . 4448 1 357 . 1 1 36 36 ILE HG23 H 1 0.93 0.03 . 1 . . . . . . . . 4448 1 358 . 1 1 36 36 ILE CG2 C 13 18.1 0.1 . 1 . . . . . . . . 4448 1 359 . 1 1 36 36 ILE CG1 C 13 25.9 0.1 . 1 . . . . . . . . 4448 1 360 . 1 1 36 36 ILE HG12 H 1 1.42 0.03 . 2 . . . . . . . . 4448 1 361 . 1 1 36 36 ILE HG13 H 1 1.01 0.03 . 2 . . . . . . . . 4448 1 362 . 1 1 36 36 ILE HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4448 1 363 . 1 1 36 36 ILE HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4448 1 364 . 1 1 36 36 ILE HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4448 1 365 . 1 1 36 36 ILE CD1 C 13 13.3 0.1 . 1 . . . . . . . . 4448 1 366 . 1 1 36 36 ILE C C 13 172.8 0.1 . 1 . . . . . . . . 4448 1 367 . 1 1 37 37 PRO CD C 13 50.1 0.1 . 1 . . . . . . . . 4448 1 368 . 1 1 37 37 PRO CA C 13 63.8 0.1 . 1 . . . . . . . . 4448 1 369 . 1 1 37 37 PRO HA H 1 4.50 0.03 . 1 . . . . . . . . 4448 1 370 . 1 1 37 37 PRO CB C 13 31.7 0.1 . 1 . . . . . . . . 4448 1 371 . 1 1 37 37 PRO HB2 H 1 2.22 0.03 . 2 . . . . . . . . 4448 1 372 . 1 1 37 37 PRO HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4448 1 373 . 1 1 37 37 PRO CG C 13 26.7 0.1 . 1 . . . . . . . . 4448 1 374 . 1 1 37 37 PRO HG2 H 1 1.92 0.03 . 1 . . . . . . . . 4448 1 375 . 1 1 37 37 PRO HG3 H 1 1.92 0.03 . 1 . . . . . . . . 4448 1 376 . 1 1 37 37 PRO HD2 H 1 3.64 0.03 . 2 . . . . . . . . 4448 1 377 . 1 1 37 37 PRO HD3 H 1 3.46 0.03 . 2 . . . . . . . . 4448 1 378 . 1 1 37 37 PRO C C 13 176.4 0.1 . 1 . . . . . . . . 4448 1 379 . 1 1 38 38 ASP N N 15 116.4 0.1 . 1 . . . . . . . . 4448 1 380 . 1 1 38 38 ASP H H 1 8.24 0.03 . 1 . . . . . . . . 4448 1 381 . 1 1 38 38 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 4448 1 382 . 1 1 38 38 ASP HA H 1 4.50 0.03 . 1 . . . . . . . . 4448 1 383 . 1 1 38 38 ASP CB C 13 39.8 0.1 . 1 . . . . . . . . 4448 1 384 . 1 1 38 38 ASP HB2 H 1 2.78 0.03 . 1 . . . . . . . . 4448 1 385 . 1 1 38 38 ASP HB3 H 1 2.78 0.03 . 1 . . . . . . . . 4448 1 386 . 1 1 38 38 ASP C C 13 175.0 0.1 . 1 . . . . . . . . 4448 1 387 . 1 1 39 39 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 4448 1 388 . 1 1 39 39 ALA H H 1 8.09 0.03 . 1 . . . . . . . . 4448 1 389 . 1 1 39 39 ALA CA C 13 51.1 0.1 . 1 . . . . . . . . 4448 1 390 . 1 1 39 39 ALA HA H 1 4.83 0.03 . 1 . . . . . . . . 4448 1 391 . 1 1 39 39 ALA HB1 H 1 1.33 0.03 . 1 . . . . . . . . 4448 1 392 . 1 1 39 39 ALA HB2 H 1 1.33 0.03 . 1 . . . . . . . . 4448 1 393 . 1 1 39 39 ALA HB3 H 1 1.33 0.03 . 1 . . . . . . . . 4448 1 394 . 1 1 39 39 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 4448 1 395 . 1 1 39 39 ALA C C 13 176.0 0.1 . 1 . . . . . . . . 4448 1 396 . 1 1 40 40 TRP N N 15 124.4 0.1 . 1 . . . . . . . . 4448 1 397 . 1 1 40 40 TRP H H 1 7.95 0.03 . 1 . . . . . . . . 4448 1 398 . 1 1 40 40 TRP CA C 13 56.2 0.1 . 1 . . . . . . . . 4448 1 399 . 1 1 40 40 TRP HA H 1 5.06 0.03 . 1 . . . . . . . . 4448 1 400 . 1 1 40 40 TRP CB C 13 30.7 0.1 . 1 . . . . . . . . 4448 1 401 . 1 1 40 40 TRP HB2 H 1 2.83 0.03 . 2 . . . . . . . . 4448 1 402 . 1 1 40 40 TRP HB3 H 1 2.76 0.03 . 2 . . . . . . . . 4448 1 403 . 1 1 40 40 TRP NE1 N 15 131.4 0.1 . 1 . . . . . . . . 4448 1 404 . 1 1 40 40 TRP HD1 H 1 7.22 0.03 . 1 . . . . . . . . 4448 1 405 . 1 1 40 40 TRP HE1 H 1 10.27 0.03 . 1 . . . . . . . . 4448 1 406 . 1 1 40 40 TRP C C 13 176.7 0.1 . 1 . . . . . . . . 4448 1 407 . 1 1 41 41 GLN N N 15 116.5 0.1 . 1 . . . . . . . . 4448 1 408 . 1 1 41 41 GLN H H 1 9.51 0.03 . 1 . . . . . . . . 4448 1 409 . 1 1 41 41 GLN CA C 13 54.6 0.1 . 1 . . . . . . . . 4448 1 410 . 1 1 41 41 GLN HA H 1 5.36 0.03 . 1 . . . . . . . . 4448 1 411 . 1 1 41 41 GLN CB C 13 33.9 0.1 . 1 . . . . . . . . 4448 1 412 . 1 1 41 41 GLN HB2 H 1 2.33 0.03 . 2 . . . . . . . . 4448 1 413 . 1 1 41 41 GLN C C 13 175.0 0.1 . 1 . . . . . . . . 4448 1 414 . 1 1 42 42 MET N N 15 118.9 0.1 . 1 . . . . . . . . 4448 1 415 . 1 1 42 42 MET H H 1 8.52 0.03 . 1 . . . . . . . . 4448 1 416 . 1 1 42 42 MET CA C 13 54.9 0.1 . 1 . . . . . . . . 4448 1 417 . 1 1 42 42 MET HA H 1 5.10 0.03 . 1 . . . . . . . . 4448 1 418 . 1 1 42 42 MET CB C 13 33.5 0.1 . 1 . . . . . . . . 4448 1 419 . 1 1 42 42 MET HB2 H 1 2.91 0.03 . 2 . . . . . . . . 4448 1 420 . 1 1 42 42 MET HB3 H 1 2.85 0.03 . 2 . . . . . . . . 4448 1 421 . 1 1 42 42 MET HG2 H 1 2.14 0.03 . 1 . . . . . . . . 4448 1 422 . 1 1 42 42 MET HG3 H 1 2.14 0.03 . 1 . . . . . . . . 4448 1 423 . 1 1 42 42 MET HE1 H 1 0.77 0.03 . 1 . . . . . . . . 4448 1 424 . 1 1 42 42 MET HE2 H 1 0.77 0.03 . 1 . . . . . . . . 4448 1 425 . 1 1 42 42 MET HE3 H 1 0.77 0.03 . 1 . . . . . . . . 4448 1 426 . 1 1 42 42 MET CE C 13 15.7 0.1 . 1 . . . . . . . . 4448 1 427 . 1 1 42 42 MET C C 13 174.7 0.1 . 1 . . . . . . . . 4448 1 428 . 1 1 43 43 PRO CD C 13 50.5 0.1 . 1 . . . . . . . . 4448 1 429 . 1 1 43 43 PRO CA C 13 64.4 0.1 . 1 . . . . . . . . 4448 1 430 . 1 1 43 43 PRO HA H 1 4.58 0.03 . 1 . . . . . . . . 4448 1 431 . 1 1 43 43 PRO CB C 13 31.7 0.1 . 1 . . . . . . . . 4448 1 432 . 1 1 43 43 PRO HB2 H 1 2.22 0.03 . 2 . . . . . . . . 4448 1 433 . 1 1 43 43 PRO HB3 H 1 1.83 0.03 . 2 . . . . . . . . 4448 1 434 . 1 1 43 43 PRO CG C 13 27.7 0.1 . 1 . . . . . . . . 4448 1 435 . 1 1 43 43 PRO HG2 H 1 1.73 0.03 . 1 . . . . . . . . 4448 1 436 . 1 1 43 43 PRO HG3 H 1 1.73 0.03 . 1 . . . . . . . . 4448 1 437 . 1 1 43 43 PRO HD2 H 1 4.44 0.03 . 2 . . . . . . . . 4448 1 438 . 1 1 43 43 PRO HD3 H 1 3.96 0.03 . 2 . . . . . . . . 4448 1 439 . 1 1 43 43 PRO C C 13 173.4 0.1 . 1 . . . . . . . . 4448 1 440 . 1 1 44 44 GLN N N 15 120.7 0.1 . 1 . . . . . . . . 4448 1 441 . 1 1 44 44 GLN H H 1 8.08 0.03 . 1 . . . . . . . . 4448 1 442 . 1 1 44 44 GLN CA C 13 54.4 0.1 . 1 . . . . . . . . 4448 1 443 . 1 1 44 44 GLN HA H 1 5.20 0.03 . 1 . . . . . . . . 4448 1 444 . 1 1 44 44 GLN CB C 13 32.8 0.1 . 1 . . . . . . . . 4448 1 445 . 1 1 44 44 GLN HB2 H 1 2.26 0.03 . 2 . . . . . . . . 4448 1 446 . 1 1 44 44 GLN HB3 H 1 2.19 0.03 . 2 . . . . . . . . 4448 1 447 . 1 1 44 44 GLN HG2 H 1 2.20 0.03 . 2 . . . . . . . . 4448 1 448 . 1 1 44 44 GLN HG3 H 1 2.23 0.03 . 2 . . . . . . . . 4448 1 449 . 1 1 44 44 GLN C C 13 174.4 0.1 . 1 . . . . . . . . 4448 1 450 . 1 1 45 45 GLY N N 15 111.1 0.1 . 1 . . . . . . . . 4448 1 451 . 1 1 45 45 GLY H H 1 8.54 0.03 . 1 . . . . . . . . 4448 1 452 . 1 1 45 45 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . 4448 1 453 . 1 1 45 45 GLY HA2 H 1 4.40 0.03 . 2 . . . . . . . . 4448 1 454 . 1 1 45 45 GLY HA3 H 1 3.81 0.03 . 2 . . . . . . . . 4448 1 455 . 1 1 45 45 GLY C C 13 172.1 0.1 . 1 . . . . . . . . 4448 1 456 . 1 1 46 46 GLY N N 15 108.3 0.1 . 1 . . . . . . . . 4448 1 457 . 1 1 46 46 GLY H H 1 8.51 0.03 . 1 . . . . . . . . 4448 1 458 . 1 1 46 46 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 4448 1 459 . 1 1 46 46 GLY HA2 H 1 4.31 0.03 . 2 . . . . . . . . 4448 1 460 . 1 1 46 46 GLY HA3 H 1 3.72 0.03 . 2 . . . . . . . . 4448 1 461 . 1 1 46 46 GLY C C 13 172.2 0.1 . 1 . . . . . . . . 4448 1 462 . 1 1 47 47 ILE N N 15 119.1 0.1 . 1 . . . . . . . . 4448 1 463 . 1 1 47 47 ILE H H 1 7.30 0.03 . 1 . . . . . . . . 4448 1 464 . 1 1 47 47 ILE CA C 13 60.5 0.1 . 1 . . . . . . . . 4448 1 465 . 1 1 47 47 ILE HA H 1 4.01 0.03 . 1 . . . . . . . . 4448 1 466 . 1 1 47 47 ILE CB C 13 39.8 0.1 . 1 . . . . . . . . 4448 1 467 . 1 1 47 47 ILE HB H 1 1.53 0.03 . 1 . . . . . . . . 4448 1 468 . 1 1 47 47 ILE HG21 H 1 1.05 0.03 . 1 . . . . . . . . 4448 1 469 . 1 1 47 47 ILE HG22 H 1 1.05 0.03 . 1 . . . . . . . . 4448 1 470 . 1 1 47 47 ILE HG23 H 1 1.05 0.03 . 1 . . . . . . . . 4448 1 471 . 1 1 47 47 ILE CG2 C 13 17.6 0.1 . 1 . . . . . . . . 4448 1 472 . 1 1 47 47 ILE CG1 C 13 27.9 0.1 . 1 . . . . . . . . 4448 1 473 . 1 1 47 47 ILE HG12 H 1 0.69 0.03 . 1 . . . . . . . . 4448 1 474 . 1 1 47 47 ILE HG13 H 1 0.69 0.03 . 1 . . . . . . . . 4448 1 475 . 1 1 47 47 ILE HD11 H 1 1.01 0.03 . 1 . . . . . . . . 4448 1 476 . 1 1 47 47 ILE HD12 H 1 1.01 0.03 . 1 . . . . . . . . 4448 1 477 . 1 1 47 47 ILE HD13 H 1 1.01 0.03 . 1 . . . . . . . . 4448 1 478 . 1 1 47 47 ILE CD1 C 13 14.6 0.1 . 1 . . . . . . . . 4448 1 479 . 1 1 47 47 ILE C C 13 176.2 0.1 . 1 . . . . . . . . 4448 1 480 . 1 1 48 48 ASP N N 15 131.2 0.1 . 1 . . . . . . . . 4448 1 481 . 1 1 48 48 ASP H H 1 9.25 0.03 . 1 . . . . . . . . 4448 1 482 . 1 1 48 48 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 4448 1 483 . 1 1 48 48 ASP HA H 1 4.67 0.03 . 1 . . . . . . . . 4448 1 484 . 1 1 48 48 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 4448 1 485 . 1 1 48 48 ASP HB2 H 1 2.60 0.03 . 2 . . . . . . . . 4448 1 486 . 1 1 48 48 ASP HB3 H 1 2.51 0.03 . 2 . . . . . . . . 4448 1 487 . 1 1 48 48 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 4448 1 488 . 1 1 49 49 GLU N N 15 122.8 0.1 . 1 . . . . . . . . 4448 1 489 . 1 1 49 49 GLU H H 1 8.63 0.03 . 1 . . . . . . . . 4448 1 490 . 1 1 49 49 GLU CA C 13 58.1 0.1 . 1 . . . . . . . . 4448 1 491 . 1 1 49 49 GLU HA H 1 4.07 0.03 . 1 . . . . . . . . 4448 1 492 . 1 1 49 49 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 4448 1 493 . 1 1 49 49 GLU HB2 H 1 2.00 0.03 . 2 . . . . . . . . 4448 1 494 . 1 1 49 49 GLU HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4448 1 495 . 1 1 49 49 GLU CG C 13 35.8 0.1 . 1 . . . . . . . . 4448 1 496 . 1 1 49 49 GLU HG2 H 1 2.31 0.03 . 1 . . . . . . . . 4448 1 497 . 1 1 49 49 GLU HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4448 1 498 . 1 1 49 49 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 4448 1 499 . 1 1 50 50 GLY N N 15 115.5 0.1 . 1 . . . . . . . . 4448 1 500 . 1 1 50 50 GLY H H 1 8.88 0.03 . 1 . . . . . . . . 4448 1 501 . 1 1 50 50 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 4448 1 502 . 1 1 50 50 GLY HA2 H 1 4.13 0.03 . 2 . . . . . . . . 4448 1 503 . 1 1 50 50 GLY HA3 H 1 3.79 0.03 . 2 . . . . . . . . 4448 1 504 . 1 1 50 50 GLY C C 13 173.4 0.1 . 1 . . . . . . . . 4448 1 505 . 1 1 51 51 GLU N N 15 124.5 0.1 . 1 . . . . . . . . 4448 1 506 . 1 1 51 51 GLU H H 1 7.87 0.03 . 1 . . . . . . . . 4448 1 507 . 1 1 51 51 GLU CA C 13 55.2 0.1 . 1 . . . . . . . . 4448 1 508 . 1 1 51 51 GLU HA H 1 4.35 0.03 . 1 . . . . . . . . 4448 1 509 . 1 1 51 51 GLU CB C 13 32.0 0.1 . 1 . . . . . . . . 4448 1 510 . 1 1 51 51 GLU HB2 H 1 2.34 0.03 . 2 . . . . . . . . 4448 1 511 . 1 1 51 51 GLU HB3 H 1 1.69 0.03 . 2 . . . . . . . . 4448 1 512 . 1 1 51 51 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 4448 1 513 . 1 1 51 51 GLU HG2 H 1 2.34 0.03 . 2 . . . . . . . . 4448 1 514 . 1 1 51 51 GLU HG3 H 1 2.16 0.03 . 2 . . . . . . . . 4448 1 515 . 1 1 51 51 GLU C C 13 175.3 0.1 . 1 . . . . . . . . 4448 1 516 . 1 1 52 52 ASP N N 15 128.5 0.1 . 1 . . . . . . . . 4448 1 517 . 1 1 52 52 ASP H H 1 8.79 0.03 . 1 . . . . . . . . 4448 1 518 . 1 1 52 52 ASP CA C 13 52.2 0.1 . 1 . . . . . . . . 4448 1 519 . 1 1 52 52 ASP HA H 1 4.91 0.03 . 1 . . . . . . . . 4448 1 520 . 1 1 52 52 ASP CB C 13 42.1 0.1 . 1 . . . . . . . . 4448 1 521 . 1 1 52 52 ASP HB2 H 1 2.79 0.03 . 2 . . . . . . . . 4448 1 522 . 1 1 52 52 ASP HB3 H 1 2.74 0.03 . 2 . . . . . . . . 4448 1 523 . 1 1 52 52 ASP C C 13 176.3 0.1 . 1 . . . . . . . . 4448 1 524 . 1 1 53 53 PRO CD C 13 50.9 0.1 . 1 . . . . . . . . 4448 1 525 . 1 1 53 53 PRO CA C 13 66.2 0.1 . 1 . . . . . . . . 4448 1 526 . 1 1 53 53 PRO HA H 1 4.08 0.03 . 1 . . . . . . . . 4448 1 527 . 1 1 53 53 PRO CB C 13 31.8 0.1 . 1 . . . . . . . . 4448 1 528 . 1 1 53 53 PRO HB2 H 1 2.33 0.03 . 2 . . . . . . . . 4448 1 529 . 1 1 53 53 PRO HB3 H 1 2.15 0.03 . 2 . . . . . . . . 4448 1 530 . 1 1 53 53 PRO CG C 13 27.8 0.1 . 1 . . . . . . . . 4448 1 531 . 1 1 53 53 PRO HG2 H 1 2.56 0.03 . 2 . . . . . . . . 4448 1 532 . 1 1 53 53 PRO HG3 H 1 2.24 0.03 . 2 . . . . . . . . 4448 1 533 . 1 1 53 53 PRO HD2 H 1 4.36 0.03 . 2 . . . . . . . . 4448 1 534 . 1 1 53 53 PRO HD3 H 1 3.95 0.03 . 2 . . . . . . . . 4448 1 535 . 1 1 53 53 PRO C C 13 176.2 0.1 . 1 . . . . . . . . 4448 1 536 . 1 1 54 54 ARG N N 15 118.3 0.1 . 1 . . . . . . . . 4448 1 537 . 1 1 54 54 ARG H H 1 8.50 0.03 . 1 . . . . . . . . 4448 1 538 . 1 1 54 54 ARG CA C 13 59.4 0.1 . 1 . . . . . . . . 4448 1 539 . 1 1 54 54 ARG HA H 1 2.96 0.03 . 1 . . . . . . . . 4448 1 540 . 1 1 54 54 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . 4448 1 541 . 1 1 54 54 ARG HB2 H 1 1.79 0.03 . 2 . . . . . . . . 4448 1 542 . 1 1 54 54 ARG HB3 H 1 1.68 0.03 . 2 . . . . . . . . 4448 1 543 . 1 1 54 54 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 4448 1 544 . 1 1 54 54 ARG HG2 H 1 1.31 0.03 . 2 . . . . . . . . 4448 1 545 . 1 1 54 54 ARG HG3 H 1 1.07 0.03 . 2 . . . . . . . . 4448 1 546 . 1 1 54 54 ARG CD C 13 42.9 0.1 . 1 . . . . . . . . 4448 1 547 . 1 1 54 54 ARG HD2 H 1 3.12 0.03 . 1 . . . . . . . . 4448 1 548 . 1 1 54 54 ARG HD3 H 1 3.12 0.03 . 1 . . . . . . . . 4448 1 549 . 1 1 54 54 ARG C C 13 177.9 0.1 . 1 . . . . . . . . 4448 1 550 . 1 1 55 55 ASN N N 15 118.0 0.1 . 1 . . . . . . . . 4448 1 551 . 1 1 55 55 ASN H H 1 7.42 0.03 . 1 . . . . . . . . 4448 1 552 . 1 1 55 55 ASN CA C 13 55.7 0.1 . 1 . . . . . . . . 4448 1 553 . 1 1 55 55 ASN HA H 1 4.43 0.03 . 1 . . . . . . . . 4448 1 554 . 1 1 55 55 ASN CB C 13 37.2 0.1 . 1 . . . . . . . . 4448 1 555 . 1 1 55 55 ASN HB2 H 1 2.94 0.03 . 2 . . . . . . . . 4448 1 556 . 1 1 55 55 ASN HB3 H 1 2.92 0.03 . 2 . . . . . . . . 4448 1 557 . 1 1 55 55 ASN ND2 N 15 114.9 0.1 . 1 . . . . . . . . 4448 1 558 . 1 1 55 55 ASN HD21 H 1 8.21 0.03 . 2 . . . . . . . . 4448 1 559 . 1 1 55 55 ASN HD22 H 1 7.03 0.03 . 2 . . . . . . . . 4448 1 560 . 1 1 55 55 ASN C C 13 178.6 0.1 . 1 . . . . . . . . 4448 1 561 . 1 1 56 56 ALA N N 15 125.5 0.1 . 1 . . . . . . . . 4448 1 562 . 1 1 56 56 ALA H H 1 8.36 0.03 . 1 . . . . . . . . 4448 1 563 . 1 1 56 56 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 4448 1 564 . 1 1 56 56 ALA HA H 1 4.11 0.03 . 1 . . . . . . . . 4448 1 565 . 1 1 56 56 ALA HB1 H 1 1.49 0.03 . 1 . . . . . . . . 4448 1 566 . 1 1 56 56 ALA HB2 H 1 1.49 0.03 . 1 . . . . . . . . 4448 1 567 . 1 1 56 56 ALA HB3 H 1 1.49 0.03 . 1 . . . . . . . . 4448 1 568 . 1 1 56 56 ALA CB C 13 19.6 0.1 . 1 . . . . . . . . 4448 1 569 . 1 1 56 56 ALA C C 13 178.3 0.1 . 1 . . . . . . . . 4448 1 570 . 1 1 57 57 ALA N N 15 122.0 0.1 . 1 . . . . . . . . 4448 1 571 . 1 1 57 57 ALA H H 1 8.15 0.03 . 1 . . . . . . . . 4448 1 572 . 1 1 57 57 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . 4448 1 573 . 1 1 57 57 ALA HA H 1 3.61 0.03 . 1 . . . . . . . . 4448 1 574 . 1 1 57 57 ALA HB1 H 1 1.11 0.03 . 1 . . . . . . . . 4448 1 575 . 1 1 57 57 ALA HB2 H 1 1.11 0.03 . 1 . . . . . . . . 4448 1 576 . 1 1 57 57 ALA HB3 H 1 1.11 0.03 . 1 . . . . . . . . 4448 1 577 . 1 1 57 57 ALA CB C 13 17.6 0.1 . 1 . . . . . . . . 4448 1 578 . 1 1 57 57 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 4448 1 579 . 1 1 58 58 ILE N N 15 119.2 0.1 . 1 . . . . . . . . 4448 1 580 . 1 1 58 58 ILE H H 1 7.53 0.03 . 1 . . . . . . . . 4448 1 581 . 1 1 58 58 ILE CA C 13 65.6 0.1 . 1 . . . . . . . . 4448 1 582 . 1 1 58 58 ILE HA H 1 3.30 0.03 . 1 . . . . . . . . 4448 1 583 . 1 1 58 58 ILE CB C 13 39.0 0.1 . 1 . . . . . . . . 4448 1 584 . 1 1 58 58 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 4448 1 585 . 1 1 58 58 ILE HG21 H 1 0.89 0.03 . 1 . . . . . . . . 4448 1 586 . 1 1 58 58 ILE HG22 H 1 0.89 0.03 . 1 . . . . . . . . 4448 1 587 . 1 1 58 58 ILE HG23 H 1 0.89 0.03 . 1 . . . . . . . . 4448 1 588 . 1 1 58 58 ILE CG2 C 13 16.4 0.1 . 1 . . . . . . . . 4448 1 589 . 1 1 58 58 ILE CG1 C 13 29.2 0.1 . 1 . . . . . . . . 4448 1 590 . 1 1 58 58 ILE HG12 H 1 1.10 0.03 . 1 . . . . . . . . 4448 1 591 . 1 1 58 58 ILE HG13 H 1 1.10 0.03 . 1 . . . . . . . . 4448 1 592 . 1 1 58 58 ILE HD11 H 1 0.83 0.03 . 1 . . . . . . . . 4448 1 593 . 1 1 58 58 ILE HD12 H 1 0.83 0.03 . 1 . . . . . . . . 4448 1 594 . 1 1 58 58 ILE HD13 H 1 0.83 0.03 . 1 . . . . . . . . 4448 1 595 . 1 1 58 58 ILE CD1 C 13 13.4 0.1 . 1 . . . . . . . . 4448 1 596 . 1 1 58 58 ILE C C 13 178.6 0.1 . 1 . . . . . . . . 4448 1 597 . 1 1 59 59 ARG N N 15 122.5 0.1 . 1 . . . . . . . . 4448 1 598 . 1 1 59 59 ARG H H 1 7.92 0.03 . 1 . . . . . . . . 4448 1 599 . 1 1 59 59 ARG CA C 13 59.6 0.1 . 1 . . . . . . . . 4448 1 600 . 1 1 59 59 ARG HA H 1 3.91 0.03 . 1 . . . . . . . . 4448 1 601 . 1 1 59 59 ARG CB C 13 29.2 0.1 . 1 . . . . . . . . 4448 1 602 . 1 1 59 59 ARG HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4448 1 603 . 1 1 59 59 ARG HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4448 1 604 . 1 1 59 59 ARG C C 13 177.7 0.1 . 1 . . . . . . . . 4448 1 605 . 1 1 60 60 GLU N N 15 120.8 0.1 . 1 . . . . . . . . 4448 1 606 . 1 1 60 60 GLU H H 1 9.11 0.03 . 1 . . . . . . . . 4448 1 607 . 1 1 60 60 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 4448 1 608 . 1 1 60 60 GLU HA H 1 3.88 0.03 . 1 . . . . . . . . 4448 1 609 . 1 1 60 60 GLU CB C 13 27.8 0.1 . 1 . . . . . . . . 4448 1 610 . 1 1 60 60 GLU HB2 H 1 1.93 0.03 . 2 . . . . . . . . 4448 1 611 . 1 1 60 60 GLU HB3 H 1 1.66 0.03 . 2 . . . . . . . . 4448 1 612 . 1 1 60 60 GLU CG C 13 33.9 0.1 . 1 . . . . . . . . 4448 1 613 . 1 1 60 60 GLU HG2 H 1 2.10 0.03 . 1 . . . . . . . . 4448 1 614 . 1 1 60 60 GLU HG3 H 1 2.10 0.03 . 1 . . . . . . . . 4448 1 615 . 1 1 60 60 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 4448 1 616 . 1 1 61 61 LEU N N 15 119.2 0.1 . 1 . . . . . . . . 4448 1 617 . 1 1 61 61 LEU H H 1 8.13 0.03 . 1 . . . . . . . . 4448 1 618 . 1 1 61 61 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4448 1 619 . 1 1 61 61 LEU HA H 1 3.61 0.03 . 1 . . . . . . . . 4448 1 620 . 1 1 61 61 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 4448 1 621 . 1 1 61 61 LEU HB2 H 1 1.58 0.03 . 2 . . . . . . . . 4448 1 622 . 1 1 61 61 LEU HB3 H 1 1.06 0.03 . 2 . . . . . . . . 4448 1 623 . 1 1 61 61 LEU CG C 13 25.7 0.1 . 1 . . . . . . . . 4448 1 624 . 1 1 61 61 LEU HG H 1 1.21 0.03 . 1 . . . . . . . . 4448 1 625 . 1 1 61 61 LEU HD11 H 1 0.24 0.03 . 2 . . . . . . . . 4448 1 626 . 1 1 61 61 LEU HD12 H 1 0.24 0.03 . 2 . . . . . . . . 4448 1 627 . 1 1 61 61 LEU HD13 H 1 0.24 0.03 . 2 . . . . . . . . 4448 1 628 . 1 1 61 61 LEU HD21 H 1 0.17 0.03 . 2 . . . . . . . . 4448 1 629 . 1 1 61 61 LEU HD22 H 1 0.17 0.03 . 2 . . . . . . . . 4448 1 630 . 1 1 61 61 LEU HD23 H 1 0.17 0.03 . 2 . . . . . . . . 4448 1 631 . 1 1 61 61 LEU CD1 C 13 22.7 0.1 . 1 . . . . . . . . 4448 1 632 . 1 1 61 61 LEU CD2 C 13 25.2 0.1 . 1 . . . . . . . . 4448 1 633 . 1 1 61 61 LEU C C 13 179.7 0.1 . 1 . . . . . . . . 4448 1 634 . 1 1 62 62 ARG N N 15 123.0 0.1 . 1 . . . . . . . . 4448 1 635 . 1 1 62 62 ARG H H 1 7.43 0.03 . 1 . . . . . . . . 4448 1 636 . 1 1 62 62 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 4448 1 637 . 1 1 62 62 ARG HA H 1 3.78 0.03 . 1 . . . . . . . . 4448 1 638 . 1 1 62 62 ARG CB C 13 29.1 0.1 . 1 . . . . . . . . 4448 1 639 . 1 1 62 62 ARG HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4448 1 640 . 1 1 62 62 ARG HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4448 1 641 . 1 1 62 62 ARG CG C 13 26.5 0.1 . 1 . . . . . . . . 4448 1 642 . 1 1 62 62 ARG HG2 H 1 1.46 0.03 . 2 . . . . . . . . 4448 1 643 . 1 1 62 62 ARG HG3 H 1 1.30 0.03 . 2 . . . . . . . . 4448 1 644 . 1 1 62 62 ARG CD C 13 42.5 0.1 . 1 . . . . . . . . 4448 1 645 . 1 1 62 62 ARG HD2 H 1 3.20 0.03 . 2 . . . . . . . . 4448 1 646 . 1 1 62 62 ARG HD3 H 1 3.04 0.03 . 2 . . . . . . . . 4448 1 647 . 1 1 62 62 ARG C C 13 179.3 0.1 . 1 . . . . . . . . 4448 1 648 . 1 1 63 63 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 4448 1 649 . 1 1 63 63 GLU H H 1 8.97 0.03 . 1 . . . . . . . . 4448 1 650 . 1 1 63 63 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 4448 1 651 . 1 1 63 63 GLU HA H 1 3.87 0.03 . 1 . . . . . . . . 4448 1 652 . 1 1 63 63 GLU CB C 13 29.7 0.1 . 1 . . . . . . . . 4448 1 653 . 1 1 63 63 GLU HB2 H 1 1.99 0.03 . 1 . . . . . . . . 4448 1 654 . 1 1 63 63 GLU HB3 H 1 1.99 0.03 . 1 . . . . . . . . 4448 1 655 . 1 1 63 63 GLU CG C 13 36.6 0.1 . 1 . . . . . . . . 4448 1 656 . 1 1 63 63 GLU HG2 H 1 2.50 0.03 . 2 . . . . . . . . 4448 1 657 . 1 1 63 63 GLU HG3 H 1 2.23 0.03 . 2 . . . . . . . . 4448 1 658 . 1 1 63 63 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 4448 1 659 . 1 1 64 64 GLU N N 15 113.6 0.1 . 1 . . . . . . . . 4448 1 660 . 1 1 64 64 GLU H H 1 8.33 0.03 . 1 . . . . . . . . 4448 1 661 . 1 1 64 64 GLU CA C 13 58.1 0.1 . 1 . . . . . . . . 4448 1 662 . 1 1 64 64 GLU HA H 1 4.39 0.03 . 1 . . . . . . . . 4448 1 663 . 1 1 64 64 GLU CB C 13 30.7 0.1 . 1 . . . . . . . . 4448 1 664 . 1 1 64 64 GLU HB2 H 1 2.27 0.03 . 2 . . . . . . . . 4448 1 665 . 1 1 64 64 GLU HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4448 1 666 . 1 1 64 64 GLU CG C 13 34.4 0.1 . 1 . . . . . . . . 4448 1 667 . 1 1 64 64 GLU HG2 H 1 2.88 0.03 . 2 . . . . . . . . 4448 1 668 . 1 1 64 64 GLU HG3 H 1 2.44 0.03 . 2 . . . . . . . . 4448 1 669 . 1 1 64 64 GLU C C 13 177.7 0.1 . 1 . . . . . . . . 4448 1 670 . 1 1 65 65 THR N N 15 104.2 0.1 . 1 . . . . . . . . 4448 1 671 . 1 1 65 65 THR H H 1 7.32 0.03 . 1 . . . . . . . . 4448 1 672 . 1 1 65 65 THR CA C 13 61.7 0.1 . 1 . . . . . . . . 4448 1 673 . 1 1 65 65 THR HA H 1 4.55 0.03 . 1 . . . . . . . . 4448 1 674 . 1 1 65 65 THR CB C 13 72.0 0.1 . 1 . . . . . . . . 4448 1 675 . 1 1 65 65 THR HB H 1 3.56 0.03 . 1 . . . . . . . . 4448 1 676 . 1 1 65 65 THR HG21 H 1 0.56 0.03 . 1 . . . . . . . . 4448 1 677 . 1 1 65 65 THR HG22 H 1 0.56 0.03 . 1 . . . . . . . . 4448 1 678 . 1 1 65 65 THR HG23 H 1 0.56 0.03 . 1 . . . . . . . . 4448 1 679 . 1 1 65 65 THR CG2 C 13 21.4 0.1 . 1 . . . . . . . . 4448 1 680 . 1 1 65 65 THR C C 13 174.0 0.1 . 1 . . . . . . . . 4448 1 681 . 1 1 66 66 GLY N N 15 111.7 0.1 . 1 . . . . . . . . 4448 1 682 . 1 1 66 66 GLY H H 1 7.96 0.03 . 1 . . . . . . . . 4448 1 683 . 1 1 66 66 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4448 1 684 . 1 1 66 66 GLY HA2 H 1 4.32 0.03 . 2 . . . . . . . . 4448 1 685 . 1 1 66 66 GLY HA3 H 1 3.75 0.03 . 2 . . . . . . . . 4448 1 686 . 1 1 66 66 GLY C C 13 173.4 0.1 . 1 . . . . . . . . 4448 1 687 . 1 1 67 67 VAL N N 15 122.4 0.1 . 1 . . . . . . . . 4448 1 688 . 1 1 67 67 VAL H H 1 7.33 0.03 . 1 . . . . . . . . 4448 1 689 . 1 1 67 67 VAL CA C 13 63.9 0.1 . 1 . . . . . . . . 4448 1 690 . 1 1 67 67 VAL HA H 1 4.03 0.03 . 1 . . . . . . . . 4448 1 691 . 1 1 67 67 VAL CB C 13 31.9 0.1 . 1 . . . . . . . . 4448 1 692 . 1 1 67 67 VAL HB H 1 1.35 0.03 . 1 . . . . . . . . 4448 1 693 . 1 1 67 67 VAL HG11 H 1 0.75 0.03 . 2 . . . . . . . . 4448 1 694 . 1 1 67 67 VAL HG12 H 1 0.75 0.03 . 2 . . . . . . . . 4448 1 695 . 1 1 67 67 VAL HG13 H 1 0.75 0.03 . 2 . . . . . . . . 4448 1 696 . 1 1 67 67 VAL HG21 H 1 0.26 0.03 . 2 . . . . . . . . 4448 1 697 . 1 1 67 67 VAL HG22 H 1 0.26 0.03 . 2 . . . . . . . . 4448 1 698 . 1 1 67 67 VAL HG23 H 1 0.26 0.03 . 2 . . . . . . . . 4448 1 699 . 1 1 67 67 VAL CG1 C 13 21.4 0.1 . 1 . . . . . . . . 4448 1 700 . 1 1 67 67 VAL CG2 C 13 22.6 0.1 . 1 . . . . . . . . 4448 1 701 . 1 1 67 67 VAL C C 13 175.6 0.1 . 1 . . . . . . . . 4448 1 702 . 1 1 68 68 THR N N 15 116.6 0.1 . 1 . . . . . . . . 4448 1 703 . 1 1 68 68 THR H H 1 8.60 0.03 . 1 . . . . . . . . 4448 1 704 . 1 1 68 68 THR CA C 13 61.4 0.1 . 1 . . . . . . . . 4448 1 705 . 1 1 68 68 THR HA H 1 4.26 0.03 . 1 . . . . . . . . 4448 1 706 . 1 1 68 68 THR CB C 13 70.0 0.1 . 1 . . . . . . . . 4448 1 707 . 1 1 68 68 THR HB H 1 4.18 0.03 . 1 . . . . . . . . 4448 1 708 . 1 1 68 68 THR HG21 H 1 1.10 0.03 . 1 . . . . . . . . 4448 1 709 . 1 1 68 68 THR HG22 H 1 1.10 0.03 . 1 . . . . . . . . 4448 1 710 . 1 1 68 68 THR HG23 H 1 1.10 0.03 . 1 . . . . . . . . 4448 1 711 . 1 1 68 68 THR CG2 C 13 20.9 0.1 . 1 . . . . . . . . 4448 1 712 . 1 1 68 68 THR C C 13 176.7 0.1 . 1 . . . . . . . . 4448 1 713 . 1 1 69 69 SER N N 15 128.2 0.1 . 1 . . . . . . . . 4448 1 714 . 1 1 69 69 SER H H 1 10.04 0.03 . 1 . . . . . . . . 4448 1 715 . 1 1 69 69 SER CA C 13 56.1 0.1 . 1 . . . . . . . . 4448 1 716 . 1 1 69 69 SER HA H 1 4.38 0.03 . 1 . . . . . . . . 4448 1 717 . 1 1 69 69 SER CB C 13 59.6 0.1 . 1 . . . . . . . . 4448 1 718 . 1 1 69 69 SER HB2 H 1 3.93 0.03 . 2 . . . . . . . . 4448 1 719 . 1 1 69 69 SER HB3 H 1 3.54 0.03 . 2 . . . . . . . . 4448 1 720 . 1 1 69 69 SER C C 13 172.2 0.1 . 1 . . . . . . . . 4448 1 721 . 1 1 70 70 ALA N N 15 126.7 0.1 . 1 . . . . . . . . 4448 1 722 . 1 1 70 70 ALA H H 1 7.66 0.03 . 1 . . . . . . . . 4448 1 723 . 1 1 70 70 ALA CA C 13 50.6 0.1 . 1 . . . . . . . . 4448 1 724 . 1 1 70 70 ALA HA H 1 5.41 0.03 . 1 . . . . . . . . 4448 1 725 . 1 1 70 70 ALA HB1 H 1 1.16 0.03 . 1 . . . . . . . . 4448 1 726 . 1 1 70 70 ALA HB2 H 1 1.16 0.03 . 1 . . . . . . . . 4448 1 727 . 1 1 70 70 ALA HB3 H 1 1.16 0.03 . 1 . . . . . . . . 4448 1 728 . 1 1 70 70 ALA CB C 13 22.2 0.1 . 1 . . . . . . . . 4448 1 729 . 1 1 70 70 ALA C C 13 175.5 0.1 . 1 . . . . . . . . 4448 1 730 . 1 1 71 71 GLU N N 15 120.8 0.1 . 1 . . . . . . . . 4448 1 731 . 1 1 71 71 GLU H H 1 8.51 0.03 . 1 . . . . . . . . 4448 1 732 . 1 1 71 71 GLU CA C 13 53.3 0.1 . 1 . . . . . . . . 4448 1 733 . 1 1 71 71 GLU HA H 1 4.72 0.03 . 1 . . . . . . . . 4448 1 734 . 1 1 71 71 GLU CB C 13 33.0 0.1 . 1 . . . . . . . . 4448 1 735 . 1 1 71 71 GLU HB2 H 1 1.89 0.03 . 2 . . . . . . . . 4448 1 736 . 1 1 71 71 GLU HB3 H 1 1.74 0.03 . 2 . . . . . . . . 4448 1 737 . 1 1 71 71 GLU CG C 13 35.1 0.1 . 1 . . . . . . . . 4448 1 738 . 1 1 71 71 GLU HG2 H 1 2.11 0.03 . 1 . . . . . . . . 4448 1 739 . 1 1 71 71 GLU HG3 H 1 2.11 0.03 . 1 . . . . . . . . 4448 1 740 . 1 1 71 71 GLU C C 13 175.1 0.1 . 1 . . . . . . . . 4448 1 741 . 1 1 72 72 VAL N N 15 126.2 0.1 . 1 . . . . . . . . 4448 1 742 . 1 1 72 72 VAL H H 1 8.69 0.03 . 1 . . . . . . . . 4448 1 743 . 1 1 72 72 VAL CA C 13 63.6 0.1 . 1 . . . . . . . . 4448 1 744 . 1 1 72 72 VAL HA H 1 3.19 0.03 . 1 . . . . . . . . 4448 1 745 . 1 1 72 72 VAL CB C 13 31.0 0.1 . 1 . . . . . . . . 4448 1 746 . 1 1 72 72 VAL HB H 1 1.58 0.03 . 1 . . . . . . . . 4448 1 747 . 1 1 72 72 VAL HG11 H 1 0.63 0.03 . 2 . . . . . . . . 4448 1 748 . 1 1 72 72 VAL HG12 H 1 0.63 0.03 . 2 . . . . . . . . 4448 1 749 . 1 1 72 72 VAL HG13 H 1 0.63 0.03 . 2 . . . . . . . . 4448 1 750 . 1 1 72 72 VAL HG21 H 1 0.06 0.03 . 2 . . . . . . . . 4448 1 751 . 1 1 72 72 VAL HG22 H 1 0.06 0.03 . 2 . . . . . . . . 4448 1 752 . 1 1 72 72 VAL HG23 H 1 0.06 0.03 . 2 . . . . . . . . 4448 1 753 . 1 1 72 72 VAL CG1 C 13 20.8 0.1 . 1 . . . . . . . . 4448 1 754 . 1 1 72 72 VAL CG2 C 13 20.9 0.1 . 1 . . . . . . . . 4448 1 755 . 1 1 72 72 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 4448 1 756 . 1 1 73 73 ILE N N 15 126.2 0.1 . 1 . . . . . . . . 4448 1 757 . 1 1 73 73 ILE H H 1 9.07 0.03 . 1 . . . . . . . . 4448 1 758 . 1 1 73 73 ILE CA C 13 60.1 0.1 . 1 . . . . . . . . 4448 1 759 . 1 1 73 73 ILE HA H 1 4.28 0.03 . 1 . . . . . . . . 4448 1 760 . 1 1 73 73 ILE CB C 13 38.5 0.1 . 1 . . . . . . . . 4448 1 761 . 1 1 73 73 ILE HB H 1 1.49 0.03 . 1 . . . . . . . . 4448 1 762 . 1 1 73 73 ILE HG21 H 1 0.50 0.03 . 1 . . . . . . . . 4448 1 763 . 1 1 73 73 ILE HG22 H 1 0.50 0.03 . 1 . . . . . . . . 4448 1 764 . 1 1 73 73 ILE HG23 H 1 0.50 0.03 . 1 . . . . . . . . 4448 1 765 . 1 1 73 73 ILE CG2 C 13 17.0 0.1 . 1 . . . . . . . . 4448 1 766 . 1 1 73 73 ILE CG1 C 13 26.3 0.1 . 1 . . . . . . . . 4448 1 767 . 1 1 73 73 ILE HG12 H 1 1.12 0.03 . 2 . . . . . . . . 4448 1 768 . 1 1 73 73 ILE HG13 H 1 0.89 0.03 . 2 . . . . . . . . 4448 1 769 . 1 1 73 73 ILE HD11 H 1 0.58 0.03 . 1 . . . . . . . . 4448 1 770 . 1 1 73 73 ILE HD12 H 1 0.58 0.03 . 1 . . . . . . . . 4448 1 771 . 1 1 73 73 ILE HD13 H 1 0.58 0.03 . 1 . . . . . . . . 4448 1 772 . 1 1 73 73 ILE CD1 C 13 10.7 0.1 . 1 . . . . . . . . 4448 1 773 . 1 1 73 73 ILE C C 13 175.5 0.1 . 1 . . . . . . . . 4448 1 774 . 1 1 74 74 ALA N N 15 121.2 0.1 . 1 . . . . . . . . 4448 1 775 . 1 1 74 74 ALA H H 1 7.86 0.03 . 1 . . . . . . . . 4448 1 776 . 1 1 74 74 ALA CA C 13 51.5 0.1 . 1 . . . . . . . . 4448 1 777 . 1 1 74 74 ALA HA H 1 4.64 0.03 . 1 . . . . . . . . 4448 1 778 . 1 1 74 74 ALA HB1 H 1 1.17 0.03 . 1 . . . . . . . . 4448 1 779 . 1 1 74 74 ALA HB2 H 1 1.17 0.03 . 1 . . . . . . . . 4448 1 780 . 1 1 74 74 ALA HB3 H 1 1.17 0.03 . 1 . . . . . . . . 4448 1 781 . 1 1 74 74 ALA CB C 13 21.9 0.1 . 1 . . . . . . . . 4448 1 782 . 1 1 74 74 ALA C C 13 173.9 0.1 . 1 . . . . . . . . 4448 1 783 . 1 1 75 75 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 4448 1 784 . 1 1 75 75 GLU H H 1 8.32 0.03 . 1 . . . . . . . . 4448 1 785 . 1 1 75 75 GLU CA C 13 53.6 0.1 . 1 . . . . . . . . 4448 1 786 . 1 1 75 75 GLU HA H 1 4.90 0.03 . 1 . . . . . . . . 4448 1 787 . 1 1 75 75 GLU CB C 13 33.7 0.1 . 1 . . . . . . . . 4448 1 788 . 1 1 75 75 GLU HB2 H 1 1.64 0.03 . 2 . . . . . . . . 4448 1 789 . 1 1 75 75 GLU HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4448 1 790 . 1 1 75 75 GLU CG C 13 34.6 0.1 . 1 . . . . . . . . 4448 1 791 . 1 1 75 75 GLU HG2 H 1 1.79 0.03 . 2 . . . . . . . . 4448 1 792 . 1 1 75 75 GLU HG3 H 1 1.22 0.03 . 2 . . . . . . . . 4448 1 793 . 1 1 75 75 GLU C C 13 175.9 0.1 . 1 . . . . . . . . 4448 1 794 . 1 1 76 76 VAL N N 15 129.8 0.1 . 1 . . . . . . . . 4448 1 795 . 1 1 76 76 VAL H H 1 8.41 0.03 . 1 . . . . . . . . 4448 1 796 . 1 1 76 76 VAL CA C 13 60.7 0.1 . 1 . . . . . . . . 4448 1 797 . 1 1 76 76 VAL HA H 1 3.89 0.03 . 1 . . . . . . . . 4448 1 798 . 1 1 76 76 VAL CB C 13 31.1 0.1 . 1 . . . . . . . . 4448 1 799 . 1 1 76 76 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 4448 1 800 . 1 1 76 76 VAL HG11 H 1 0.51 0.03 . 2 . . . . . . . . 4448 1 801 . 1 1 76 76 VAL HG12 H 1 0.51 0.03 . 2 . . . . . . . . 4448 1 802 . 1 1 76 76 VAL HG13 H 1 0.51 0.03 . 2 . . . . . . . . 4448 1 803 . 1 1 76 76 VAL HG21 H 1 0.21 0.03 . 2 . . . . . . . . 4448 1 804 . 1 1 76 76 VAL HG22 H 1 0.21 0.03 . 2 . . . . . . . . 4448 1 805 . 1 1 76 76 VAL HG23 H 1 0.21 0.03 . 2 . . . . . . . . 4448 1 806 . 1 1 76 76 VAL CG1 C 13 23.7 0.1 . 1 . . . . . . . . 4448 1 807 . 1 1 76 76 VAL CG2 C 13 20.3 0.1 . 1 . . . . . . . . 4448 1 808 . 1 1 76 76 VAL C C 13 176.2 0.1 . 1 . . . . . . . . 4448 1 809 . 1 1 77 77 PRO CD C 13 50.7 0.1 . 1 . . . . . . . . 4448 1 810 . 1 1 77 77 PRO CA C 13 64.7 0.1 . 1 . . . . . . . . 4448 1 811 . 1 1 77 77 PRO HA H 1 4.40 0.03 . 1 . . . . . . . . 4448 1 812 . 1 1 77 77 PRO CB C 13 29.7 0.1 . 1 . . . . . . . . 4448 1 813 . 1 1 77 77 PRO HB2 H 1 2.37 0.03 . 2 . . . . . . . . 4448 1 814 . 1 1 77 77 PRO HB3 H 1 2.12 0.03 . 2 . . . . . . . . 4448 1 815 . 1 1 77 77 PRO CG C 13 26.8 0.1 . 1 . . . . . . . . 4448 1 816 . 1 1 77 77 PRO HG2 H 1 2.15 0.03 . 2 . . . . . . . . 4448 1 817 . 1 1 77 77 PRO HG3 H 1 2.03 0.03 . 2 . . . . . . . . 4448 1 818 . 1 1 77 77 PRO HD2 H 1 3.88 0.03 . 2 . . . . . . . . 4448 1 819 . 1 1 77 77 PRO HD3 H 1 3.34 0.03 . 2 . . . . . . . . 4448 1 820 . 1 1 77 77 PRO C C 13 174.0 0.1 . 1 . . . . . . . . 4448 1 821 . 1 1 78 78 TYR N N 15 116.8 0.1 . 1 . . . . . . . . 4448 1 822 . 1 1 78 78 TYR H H 1 6.98 0.03 . 1 . . . . . . . . 4448 1 823 . 1 1 78 78 TYR CA C 13 55.1 0.1 . 1 . . . . . . . . 4448 1 824 . 1 1 78 78 TYR HA H 1 4.95 0.03 . 1 . . . . . . . . 4448 1 825 . 1 1 78 78 TYR CB C 13 38.4 0.1 . 1 . . . . . . . . 4448 1 826 . 1 1 78 78 TYR HB2 H 1 3.24 0.03 . 2 . . . . . . . . 4448 1 827 . 1 1 78 78 TYR HB3 H 1 3.05 0.03 . 2 . . . . . . . . 4448 1 828 . 1 1 78 78 TYR HD1 H 1 6.77 0.03 . 1 . . . . . . . . 4448 1 829 . 1 1 78 78 TYR HD2 H 1 6.77 0.03 . 1 . . . . . . . . 4448 1 830 . 1 1 78 78 TYR C C 13 173.8 0.1 . 1 . . . . . . . . 4448 1 831 . 1 1 79 79 TRP N N 15 120.8 0.1 . 1 . . . . . . . . 4448 1 832 . 1 1 79 79 TRP H H 1 9.36 0.03 . 1 . . . . . . . . 4448 1 833 . 1 1 79 79 TRP CA C 13 57.0 0.1 . 1 . . . . . . . . 4448 1 834 . 1 1 79 79 TRP HA H 1 4.43 0.03 . 1 . . . . . . . . 4448 1 835 . 1 1 79 79 TRP CB C 13 28.5 0.1 . 1 . . . . . . . . 4448 1 836 . 1 1 79 79 TRP HB2 H 1 2.98 0.03 . 2 . . . . . . . . 4448 1 837 . 1 1 79 79 TRP HB3 H 1 2.83 0.03 . 2 . . . . . . . . 4448 1 838 . 1 1 79 79 TRP NE1 N 15 132.6 0.1 . 1 . . . . . . . . 4448 1 839 . 1 1 79 79 TRP HD1 H 1 7.27 0.03 . 1 . . . . . . . . 4448 1 840 . 1 1 79 79 TRP HE1 H 1 10.48 0.03 . 1 . . . . . . . . 4448 1 841 . 1 1 79 79 TRP HZ2 H 1 7.57 0.03 . 1 . . . . . . . . 4448 1 842 . 1 1 79 79 TRP C C 13 175.4 0.1 . 1 . . . . . . . . 4448 1 843 . 1 1 80 80 LEU N N 15 126.0 0.1 . 1 . . . . . . . . 4448 1 844 . 1 1 80 80 LEU H H 1 8.75 0.03 . 1 . . . . . . . . 4448 1 845 . 1 1 80 80 LEU CA C 13 54.3 0.1 . 1 . . . . . . . . 4448 1 846 . 1 1 80 80 LEU HA H 1 5.23 0.03 . 1 . . . . . . . . 4448 1 847 . 1 1 80 80 LEU CB C 13 44.0 0.1 . 1 . . . . . . . . 4448 1 848 . 1 1 80 80 LEU HB2 H 1 1.89 0.03 . 2 . . . . . . . . 4448 1 849 . 1 1 80 80 LEU HB3 H 1 1.84 0.03 . 2 . . . . . . . . 4448 1 850 . 1 1 80 80 LEU CG C 13 28.0 0.1 . 1 . . . . . . . . 4448 1 851 . 1 1 80 80 LEU HG H 1 1.96 0.03 . 1 . . . . . . . . 4448 1 852 . 1 1 80 80 LEU HD11 H 1 1.09 0.03 . 2 . . . . . . . . 4448 1 853 . 1 1 80 80 LEU HD12 H 1 1.09 0.03 . 2 . . . . . . . . 4448 1 854 . 1 1 80 80 LEU HD13 H 1 1.09 0.03 . 2 . . . . . . . . 4448 1 855 . 1 1 80 80 LEU HD21 H 1 0.96 0.03 . 2 . . . . . . . . 4448 1 856 . 1 1 80 80 LEU HD22 H 1 0.96 0.03 . 2 . . . . . . . . 4448 1 857 . 1 1 80 80 LEU HD23 H 1 0.96 0.03 . 2 . . . . . . . . 4448 1 858 . 1 1 80 80 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 4448 1 859 . 1 1 80 80 LEU CD2 C 13 6.0 0.1 . 1 . . . . . . . . 4448 1 860 . 1 1 80 80 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 4448 1 861 . 1 1 81 81 THR N N 15 116.4 0.1 . 1 . . . . . . . . 4448 1 862 . 1 1 81 81 THR H H 1 8.83 0.03 . 1 . . . . . . . . 4448 1 863 . 1 1 81 81 THR CA C 13 59.8 0.1 . 1 . . . . . . . . 4448 1 864 . 1 1 81 81 THR HA H 1 5.44 0.03 . 1 . . . . . . . . 4448 1 865 . 1 1 81 81 THR CB C 13 70.7 0.1 . 1 . . . . . . . . 4448 1 866 . 1 1 81 81 THR HB H 1 3.89 0.03 . 1 . . . . . . . . 4448 1 867 . 1 1 81 81 THR HG21 H 1 0.68 0.03 . 1 . . . . . . . . 4448 1 868 . 1 1 81 81 THR HG22 H 1 0.68 0.03 . 1 . . . . . . . . 4448 1 869 . 1 1 81 81 THR HG23 H 1 0.68 0.03 . 1 . . . . . . . . 4448 1 870 . 1 1 81 81 THR CG2 C 13 20.8 0.1 . 1 . . . . . . . . 4448 1 871 . 1 1 81 81 THR C C 13 173.3 0.1 . 1 . . . . . . . . 4448 1 872 . 1 1 82 82 TYR N N 15 120.9 0.1 . 1 . . . . . . . . 4448 1 873 . 1 1 82 82 TYR H H 1 8.45 0.03 . 1 . . . . . . . . 4448 1 874 . 1 1 82 82 TYR CA C 13 56.3 0.1 . 1 . . . . . . . . 4448 1 875 . 1 1 82 82 TYR HA H 1 4.97 0.03 . 1 . . . . . . . . 4448 1 876 . 1 1 82 82 TYR CB C 13 41.0 0.1 . 1 . . . . . . . . 4448 1 877 . 1 1 82 82 TYR HB2 H 1 2.99 0.03 . 2 . . . . . . . . 4448 1 878 . 1 1 82 82 TYR HB3 H 1 2.95 0.03 . 2 . . . . . . . . 4448 1 879 . 1 1 82 82 TYR HD1 H 1 7.03 0.03 . 1 . . . . . . . . 4448 1 880 . 1 1 82 82 TYR HD2 H 1 7.03 0.03 . 1 . . . . . . . . 4448 1 881 . 1 1 82 82 TYR HE1 H 1 6.83 0.03 . 1 . . . . . . . . 4448 1 882 . 1 1 82 82 TYR HE2 H 1 6.83 0.03 . 1 . . . . . . . . 4448 1 883 . 1 1 82 82 TYR C C 13 173.8 0.1 . 1 . . . . . . . . 4448 1 884 . 1 1 83 83 ASP N N 15 126.2 0.1 . 1 . . . . . . . . 4448 1 885 . 1 1 83 83 ASP H H 1 8.62 0.03 . 1 . . . . . . . . 4448 1 886 . 1 1 83 83 ASP CA C 13 53.3 0.1 . 1 . . . . . . . . 4448 1 887 . 1 1 83 83 ASP HA H 1 4.79 0.03 . 1 . . . . . . . . 4448 1 888 . 1 1 83 83 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 4448 1 889 . 1 1 83 83 ASP HB2 H 1 2.64 0.03 . 2 . . . . . . . . 4448 1 890 . 1 1 83 83 ASP HB3 H 1 2.56 0.03 . 2 . . . . . . . . 4448 1 891 . 1 1 83 83 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 4448 1 892 . 1 1 84 84 PHE N N 15 121.9 0.1 . 1 . . . . . . . . 4448 1 893 . 1 1 84 84 PHE H H 1 8.28 0.03 . 1 . . . . . . . . 4448 1 894 . 1 1 84 84 PHE CA C 13 53.9 0.1 . 1 . . . . . . . . 4448 1 895 . 1 1 84 84 PHE HA H 1 4.92 0.03 . 1 . . . . . . . . 4448 1 896 . 1 1 84 84 PHE CB C 13 38.4 0.1 . 1 . . . . . . . . 4448 1 897 . 1 1 84 84 PHE HB2 H 1 3.05 0.03 . 2 . . . . . . . . 4448 1 898 . 1 1 84 84 PHE HB3 H 1 2.63 0.03 . 2 . . . . . . . . 4448 1 899 . 1 1 84 84 PHE HD1 H 1 7.18 0.03 . 1 . . . . . . . . 4448 1 900 . 1 1 84 84 PHE HD2 H 1 7.18 0.03 . 1 . . . . . . . . 4448 1 901 . 1 1 84 84 PHE C C 13 174.3 0.1 . 1 . . . . . . . . 4448 1 902 . 1 1 85 85 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 4448 1 903 . 1 1 85 85 PRO HD2 H 1 4.08 0.03 . 2 . . . . . . . . 4448 1 904 . 1 1 85 85 PRO HD3 H 1 3.53 0.03 . 2 . . . . . . . . 4448 1 905 . 1 1 87 87 LYS CA C 13 58.5 0.1 . 1 . . . . . . . . 4448 1 906 . 1 1 87 87 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . 4448 1 907 . 1 1 87 87 LYS C C 13 178.9 0.1 . 1 . . . . . . . . 4448 1 908 . 1 1 88 88 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 4448 1 909 . 1 1 88 88 VAL H H 1 7.30 0.03 . 1 . . . . . . . . 4448 1 910 . 1 1 88 88 VAL CA C 13 64.6 0.1 . 1 . . . . . . . . 4448 1 911 . 1 1 88 88 VAL HA H 1 3.70 0.03 . 1 . . . . . . . . 4448 1 912 . 1 1 88 88 VAL CB C 13 31.8 0.1 . 1 . . . . . . . . 4448 1 913 . 1 1 88 88 VAL HB H 1 2.01 0.03 . 1 . . . . . . . . 4448 1 914 . 1 1 88 88 VAL HG11 H 1 0.94 0.03 . 2 . . . . . . . . 4448 1 915 . 1 1 88 88 VAL HG12 H 1 0.94 0.03 . 2 . . . . . . . . 4448 1 916 . 1 1 88 88 VAL HG13 H 1 0.94 0.03 . 2 . . . . . . . . 4448 1 917 . 1 1 88 88 VAL HG21 H 1 0.63 0.03 . 2 . . . . . . . . 4448 1 918 . 1 1 88 88 VAL HG22 H 1 0.63 0.03 . 2 . . . . . . . . 4448 1 919 . 1 1 88 88 VAL HG23 H 1 0.63 0.03 . 2 . . . . . . . . 4448 1 920 . 1 1 88 88 VAL CG1 C 13 21.4 0.1 . 1 . . . . . . . . 4448 1 921 . 1 1 88 88 VAL CG2 C 13 20.5 0.1 . 1 . . . . . . . . 4448 1 922 . 1 1 88 88 VAL C C 13 176.8 0.1 . 1 . . . . . . . . 4448 1 923 . 1 1 89 89 ARG N N 15 121.9 0.1 . 1 . . . . . . . . 4448 1 924 . 1 1 89 89 ARG H H 1 8.13 0.03 . 1 . . . . . . . . 4448 1 925 . 1 1 89 89 ARG CA C 13 59.2 0.1 . 1 . . . . . . . . 4448 1 926 . 1 1 89 89 ARG HA H 1 3.87 0.03 . 1 . . . . . . . . 4448 1 927 . 1 1 89 89 ARG C C 13 177.9 0.1 . 1 . . . . . . . . 4448 1 928 . 1 1 90 90 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 4448 1 929 . 1 1 90 90 GLU H H 1 8.15 0.03 . 1 . . . . . . . . 4448 1 930 . 1 1 90 90 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 4448 1 931 . 1 1 90 90 GLU HA H 1 4.07 0.03 . 1 . . . . . . . . 4448 1 932 . 1 1 90 90 GLU C C 13 177.9 0.1 . 1 . . . . . . . . 4448 1 933 . 1 1 91 91 LYS N N 15 120.2 0.1 . 1 . . . . . . . . 4448 1 934 . 1 1 91 91 LYS H H 1 7.49 0.03 . 1 . . . . . . . . 4448 1 935 . 1 1 91 91 LYS CA C 13 58.4 0.1 . 1 . . . . . . . . 4448 1 936 . 1 1 91 91 LYS HA H 1 4.07 0.03 . 1 . . . . . . . . 4448 1 937 . 1 1 91 91 LYS C C 13 178.6 0.1 . 1 . . . . . . . . 4448 1 938 . 1 1 92 92 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 4448 1 939 . 1 1 92 92 LEU H H 1 8.17 0.03 . 1 . . . . . . . . 4448 1 940 . 1 1 92 92 LEU CA C 13 56.7 0.1 . 1 . . . . . . . . 4448 1 941 . 1 1 92 92 LEU HA H 1 4.03 0.03 . 1 . . . . . . . . 4448 1 942 . 1 1 92 92 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 4448 1 943 . 1 1 92 92 LEU HB2 H 1 1.67 0.03 . 2 . . . . . . . . 4448 1 944 . 1 1 92 92 LEU HB3 H 1 1.21 0.03 . 2 . . . . . . . . 4448 1 945 . 1 1 92 92 LEU CG C 13 26.3 0.1 . 1 . . . . . . . . 4448 1 946 . 1 1 92 92 LEU HG H 1 1.51 0.03 . 1 . . . . . . . . 4448 1 947 . 1 1 92 92 LEU HD11 H 1 0.55 0.03 . 2 . . . . . . . . 4448 1 948 . 1 1 92 92 LEU HD12 H 1 0.55 0.03 . 2 . . . . . . . . 4448 1 949 . 1 1 92 92 LEU HD13 H 1 0.55 0.03 . 2 . . . . . . . . 4448 1 950 . 1 1 92 92 LEU HD21 H 1 0.32 0.03 . 2 . . . . . . . . 4448 1 951 . 1 1 92 92 LEU HD22 H 1 0.32 0.03 . 2 . . . . . . . . 4448 1 952 . 1 1 92 92 LEU HD23 H 1 0.32 0.03 . 2 . . . . . . . . 4448 1 953 . 1 1 92 92 LEU CD1 C 13 22.1 0.1 . 1 . . . . . . . . 4448 1 954 . 1 1 92 92 LEU CD2 C 13 25.3 0.1 . 1 . . . . . . . . 4448 1 955 . 1 1 92 92 LEU C C 13 178.2 0.1 . 1 . . . . . . . . 4448 1 956 . 1 1 93 93 ASN N N 15 119.6 0.1 . 1 . . . . . . . . 4448 1 957 . 1 1 93 93 ASN H H 1 8.14 0.03 . 1 . . . . . . . . 4448 1 958 . 1 1 93 93 ASN CA C 13 54.9 0.1 . 1 . . . . . . . . 4448 1 959 . 1 1 93 93 ASN HA H 1 4.66 0.03 . 1 . . . . . . . . 4448 1 960 . 1 1 93 93 ASN CB C 13 38.2 0.1 . 1 . . . . . . . . 4448 1 961 . 1 1 93 93 ASN HB2 H 1 2.85 0.03 . 2 . . . . . . . . 4448 1 962 . 1 1 93 93 ASN HB3 H 1 2.81 0.03 . 2 . . . . . . . . 4448 1 963 . 1 1 93 93 ASN ND2 N 15 112.7 0.1 . 1 . . . . . . . . 4448 1 964 . 1 1 93 93 ASN HD21 H 1 7.37 0.03 . 2 . . . . . . . . 4448 1 965 . 1 1 93 93 ASN HD22 H 1 7.14 0.03 . 2 . . . . . . . . 4448 1 966 . 1 1 93 93 ASN C C 13 177.7 0.1 . 1 . . . . . . . . 4448 1 967 . 1 1 94 94 ILE N N 15 120.8 0.1 . 1 . . . . . . . . 4448 1 968 . 1 1 94 94 ILE H H 1 7.71 0.03 . 1 . . . . . . . . 4448 1 969 . 1 1 94 94 ILE CA C 13 63.1 0.1 . 1 . . . . . . . . 4448 1 970 . 1 1 94 94 ILE HA H 1 3.86 0.03 . 1 . . . . . . . . 4448 1 971 . 1 1 94 94 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 4448 1 972 . 1 1 94 94 ILE HB H 1 1.86 0.03 . 1 . . . . . . . . 4448 1 973 . 1 1 94 94 ILE HG21 H 1 0.82 0.03 . 1 . . . . . . . . 4448 1 974 . 1 1 94 94 ILE HG22 H 1 0.82 0.03 . 1 . . . . . . . . 4448 1 975 . 1 1 94 94 ILE HG23 H 1 0.82 0.03 . 1 . . . . . . . . 4448 1 976 . 1 1 94 94 ILE CG2 C 13 16.7 0.1 . 1 . . . . . . . . 4448 1 977 . 1 1 94 94 ILE CG1 C 13 27.9 0.1 . 1 . . . . . . . . 4448 1 978 . 1 1 94 94 ILE HG12 H 1 1.59 0.03 . 2 . . . . . . . . 4448 1 979 . 1 1 94 94 ILE HG13 H 1 1.14 0.03 . 2 . . . . . . . . 4448 1 980 . 1 1 94 94 ILE HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4448 1 981 . 1 1 94 94 ILE HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4448 1 982 . 1 1 94 94 ILE HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4448 1 983 . 1 1 94 94 ILE CD1 C 13 12.6 0.1 . 1 . . . . . . . . 4448 1 984 . 1 1 94 94 ILE C C 13 177.4 0.1 . 1 . . . . . . . . 4448 1 985 . 1 1 95 95 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 4448 1 986 . 1 1 95 95 GLN H H 1 8.00 0.03 . 1 . . . . . . . . 4448 1 987 . 1 1 95 95 GLN CA C 13 58.8 0.1 . 1 . . . . . . . . 4448 1 988 . 1 1 95 95 GLN HA H 1 4.03 0.03 . 1 . . . . . . . . 4448 1 989 . 1 1 95 95 GLN C C 13 178.0 0.1 . 1 . . . . . . . . 4448 1 990 . 1 1 96 96 TRP N N 15 118.5 0.1 . 1 . . . . . . . . 4448 1 991 . 1 1 96 96 TRP H H 1 8.35 0.03 . 1 . . . . . . . . 4448 1 992 . 1 1 96 96 TRP CA C 13 56.5 0.1 . 1 . . . . . . . . 4448 1 993 . 1 1 96 96 TRP HA H 1 4.86 0.03 . 1 . . . . . . . . 4448 1 994 . 1 1 96 96 TRP CB C 13 30.2 0.1 . 1 . . . . . . . . 4448 1 995 . 1 1 96 96 TRP HB2 H 1 3.43 0.03 . 2 . . . . . . . . 4448 1 996 . 1 1 96 96 TRP HB3 H 1 3.35 0.03 . 2 . . . . . . . . 4448 1 997 . 1 1 96 96 TRP NE1 N 15 130.5 0.1 . 1 . . . . . . . . 4448 1 998 . 1 1 96 96 TRP HD1 H 1 7.26 0.03 . 1 . . . . . . . . 4448 1 999 . 1 1 96 96 TRP HE1 H 1 10.17 0.03 . 1 . . . . . . . . 4448 1 1000 . 1 1 96 96 TRP HZ2 H 1 7.47 0.03 . 1 . . . . . . . . 4448 1 1001 . 1 1 96 96 TRP C C 13 177.6 0.1 . 1 . . . . . . . . 4448 1 1002 . 1 1 97 97 GLY N N 15 111.3 0.1 . 1 . . . . . . . . 4448 1 1003 . 1 1 97 97 GLY H H 1 8.09 0.03 . 1 . . . . . . . . 4448 1 1004 . 1 1 97 97 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 4448 1 1005 . 1 1 97 97 GLY HA2 H 1 4.05 0.03 . 2 . . . . . . . . 4448 1 1006 . 1 1 97 97 GLY HA3 H 1 3.90 0.03 . 2 . . . . . . . . 4448 1 1007 . 1 1 98 98 SER N N 15 114.1 0.1 . 1 . . . . . . . . 4448 1 1008 . 1 1 98 98 SER H H 1 7.72 0.03 . 1 . . . . . . . . 4448 1 1009 . 1 1 98 98 SER CA C 13 57.5 0.1 . 1 . . . . . . . . 4448 1 1010 . 1 1 98 98 SER HA H 1 4.35 0.03 . 1 . . . . . . . . 4448 1 1011 . 1 1 98 98 SER CB C 13 64.2 0.1 . 1 . . . . . . . . 4448 1 1012 . 1 1 98 98 SER HB2 H 1 3.45 0.03 . 2 . . . . . . . . 4448 1 1013 . 1 1 98 98 SER HB3 H 1 3.40 0.03 . 2 . . . . . . . . 4448 1 1014 . 1 1 98 98 SER C C 13 172.6 0.1 . 1 . . . . . . . . 4448 1 1015 . 1 1 99 99 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 4448 1 1016 . 1 1 99 99 ASP H H 1 8.12 0.03 . 1 . . . . . . . . 4448 1 1017 . 1 1 99 99 ASP CA C 13 53.5 0.1 . 1 . . . . . . . . 4448 1 1018 . 1 1 99 99 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 4448 1 1019 . 1 1 99 99 ASP CB C 13 41.0 0.1 . 1 . . . . . . . . 4448 1 1020 . 1 1 99 99 ASP HB2 H 1 2.75 0.03 . 2 . . . . . . . . 4448 1 1021 . 1 1 99 99 ASP HB3 H 1 2.49 0.03 . 2 . . . . . . . . 4448 1 1022 . 1 1 99 99 ASP C C 13 175.4 0.1 . 1 . . . . . . . . 4448 1 1023 . 1 1 100 100 TRP N N 15 123.5 0.1 . 1 . . . . . . . . 4448 1 1024 . 1 1 100 100 TRP H H 1 8.07 0.03 . 1 . . . . . . . . 4448 1 1025 . 1 1 100 100 TRP CA C 13 56.3 0.1 . 1 . . . . . . . . 4448 1 1026 . 1 1 100 100 TRP HA H 1 4.77 0.03 . 1 . . . . . . . . 4448 1 1027 . 1 1 100 100 TRP CB C 13 30.7 0.1 . 1 . . . . . . . . 4448 1 1028 . 1 1 100 100 TRP HB2 H 1 3.30 0.03 . 2 . . . . . . . . 4448 1 1029 . 1 1 100 100 TRP HB3 H 1 3.23 0.03 . 2 . . . . . . . . 4448 1 1030 . 1 1 100 100 TRP NE1 N 15 129.5 0.1 . 1 . . . . . . . . 4448 1 1031 . 1 1 100 100 TRP HD1 H 1 7.24 0.03 . 1 . . . . . . . . 4448 1 1032 . 1 1 100 100 TRP HZ2 H 1 7.44 0.03 . 1 . . . . . . . . 4448 1 1033 . 1 1 100 100 TRP C C 13 175.9 0.1 . 1 . . . . . . . . 4448 1 1034 . 1 1 101 101 LYS N N 15 121.2 0.1 . 1 . . . . . . . . 4448 1 1035 . 1 1 101 101 LYS H H 1 8.70 0.03 . 1 . . . . . . . . 4448 1 1036 . 1 1 101 101 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 4448 1 1037 . 1 1 101 101 LYS HA H 1 4.04 0.03 . 1 . . . . . . . . 4448 1 1038 . 1 1 101 101 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 4448 1 1039 . 1 1 101 101 LYS HB2 H 1 1.34 0.03 . 2 . . . . . . . . 4448 1 1040 . 1 1 101 101 LYS HB3 H 1 0.89 0.03 . 2 . . . . . . . . 4448 1 1041 . 1 1 101 101 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 4448 1 1042 . 1 1 101 101 LYS HG2 H 1 1.19 0.03 . 2 . . . . . . . . 4448 1 1043 . 1 1 101 101 LYS HG3 H 1 1.12 0.03 . 2 . . . . . . . . 4448 1 1044 . 1 1 101 101 LYS CE C 13 41.9 0.1 . 1 . . . . . . . . 4448 1 1045 . 1 1 101 101 LYS HE2 H 1 2.93 0.03 . 2 . . . . . . . . 4448 1 1046 . 1 1 101 101 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 4448 1 1047 . 1 1 102 102 GLY N N 15 105.8 0.1 . 1 . . . . . . . . 4448 1 1048 . 1 1 102 102 GLY H H 1 6.91 0.03 . 1 . . . . . . . . 4448 1 1049 . 1 1 102 102 GLY CA C 13 44.4 0.1 . 1 . . . . . . . . 4448 1 1050 . 1 1 102 102 GLY HA2 H 1 3.99 0.03 . 2 . . . . . . . . 4448 1 1051 . 1 1 102 102 GLY HA3 H 1 2.31 0.03 . 2 . . . . . . . . 4448 1 1052 . 1 1 102 102 GLY C C 13 171.6 0.1 . 1 . . . . . . . . 4448 1 1053 . 1 1 103 103 GLN N N 15 119.1 0.1 . 1 . . . . . . . . 4448 1 1054 . 1 1 103 103 GLN H H 1 8.50 0.03 . 1 . . . . . . . . 4448 1 1055 . 1 1 103 103 GLN CA C 13 53.5 0.1 . 1 . . . . . . . . 4448 1 1056 . 1 1 103 103 GLN HA H 1 5.14 0.03 . 1 . . . . . . . . 4448 1 1057 . 1 1 103 103 GLN CB C 13 32.7 0.1 . 1 . . . . . . . . 4448 1 1058 . 1 1 103 103 GLN HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4448 1 1059 . 1 1 103 103 GLN HB3 H 1 1.83 0.03 . 1 . . . . . . . . 4448 1 1060 . 1 1 103 103 GLN CG C 13 33.5 0.1 . 1 . . . . . . . . 4448 1 1061 . 1 1 103 103 GLN HG2 H 1 2.29 0.03 . 2 . . . . . . . . 4448 1 1062 . 1 1 103 103 GLN HG3 H 1 2.16 0.03 . 2 . . . . . . . . 4448 1 1063 . 1 1 103 103 GLN C C 13 173.6 0.1 . 1 . . . . . . . . 4448 1 1064 . 1 1 104 104 ALA N N 15 127.6 0.1 . 1 . . . . . . . . 4448 1 1065 . 1 1 104 104 ALA H H 1 9.18 0.03 . 1 . . . . . . . . 4448 1 1066 . 1 1 104 104 ALA CA C 13 49.8 0.1 . 1 . . . . . . . . 4448 1 1067 . 1 1 104 104 ALA HA H 1 5.44 0.03 . 1 . . . . . . . . 4448 1 1068 . 1 1 104 104 ALA HB1 H 1 1.18 0.03 . 1 . . . . . . . . 4448 1 1069 . 1 1 104 104 ALA HB2 H 1 1.18 0.03 . 1 . . . . . . . . 4448 1 1070 . 1 1 104 104 ALA HB3 H 1 1.18 0.03 . 1 . . . . . . . . 4448 1 1071 . 1 1 104 104 ALA CB C 13 21.7 0.1 . 1 . . . . . . . . 4448 1 1072 . 1 1 104 104 ALA C C 13 175.8 0.1 . 1 . . . . . . . . 4448 1 1073 . 1 1 105 105 GLN N N 15 122.7 0.1 . 1 . . . . . . . . 4448 1 1074 . 1 1 105 105 GLN H H 1 10.11 0.03 . 1 . . . . . . . . 4448 1 1075 . 1 1 105 105 GLN CA C 13 54.2 0.1 . 1 . . . . . . . . 4448 1 1076 . 1 1 105 105 GLN HA H 1 5.42 0.03 . 1 . . . . . . . . 4448 1 1077 . 1 1 105 105 GLN CB C 13 32.7 0.1 . 1 . . . . . . . . 4448 1 1078 . 1 1 105 105 GLN HB2 H 1 2.27 0.03 . 2 . . . . . . . . 4448 1 1079 . 1 1 105 105 GLN HB3 H 1 2.00 0.03 . 2 . . . . . . . . 4448 1 1080 . 1 1 105 105 GLN HG2 H 1 1.92 0.03 . 1 . . . . . . . . 4448 1 1081 . 1 1 105 105 GLN HG3 H 1 1.92 0.03 . 1 . . . . . . . . 4448 1 1082 . 1 1 105 105 GLN C C 13 175.4 0.1 . 1 . . . . . . . . 4448 1 1083 . 1 1 106 106 LYS N N 15 132.8 0.1 . 1 . . . . . . . . 4448 1 1084 . 1 1 106 106 LYS H H 1 8.79 0.03 . 1 . . . . . . . . 4448 1 1085 . 1 1 106 106 LYS CA C 13 52.7 0.1 . 1 . . . . . . . . 4448 1 1086 . 1 1 106 106 LYS HA H 1 4.43 0.03 . 1 . . . . . . . . 4448 1 1087 . 1 1 106 106 LYS CB C 13 30.9 0.1 . 1 . . . . . . . . 4448 1 1088 . 1 1 106 106 LYS HB2 H 1 1.19 0.03 . 2 . . . . . . . . 4448 1 1089 . 1 1 106 106 LYS HB3 H 1 -0.43 0.03 . 2 . . . . . . . . 4448 1 1090 . 1 1 106 106 LYS CG C 13 26.1 0.1 . 1 . . . . . . . . 4448 1 1091 . 1 1 106 106 LYS HG2 H 1 0.53 0.03 . 1 . . . . . . . . 4448 1 1092 . 1 1 106 106 LYS HG3 H 1 0.53 0.03 . 1 . . . . . . . . 4448 1 1093 . 1 1 106 106 LYS C C 13 173.8 0.1 . 1 . . . . . . . . 4448 1 1094 . 1 1 107 107 TRP N N 15 128.0 0.1 . 1 . . . . . . . . 4448 1 1095 . 1 1 107 107 TRP H H 1 8.18 0.03 . 1 . . . . . . . . 4448 1 1096 . 1 1 107 107 TRP CA C 13 57.4 0.1 . 1 . . . . . . . . 4448 1 1097 . 1 1 107 107 TRP HA H 1 4.99 0.03 . 1 . . . . . . . . 4448 1 1098 . 1 1 107 107 TRP CB C 13 31.4 0.1 . 1 . . . . . . . . 4448 1 1099 . 1 1 107 107 TRP HB2 H 1 2.96 0.03 . 2 . . . . . . . . 4448 1 1100 . 1 1 107 107 TRP HB3 H 1 2.77 0.03 . 2 . . . . . . . . 4448 1 1101 . 1 1 107 107 TRP NE1 N 15 129.7 0.1 . 1 . . . . . . . . 4448 1 1102 . 1 1 107 107 TRP HD1 H 1 6.79 0.03 . 1 . . . . . . . . 4448 1 1103 . 1 1 107 107 TRP HE1 H 1 10.20 0.03 . 1 . . . . . . . . 4448 1 1104 . 1 1 107 107 TRP C C 13 174.9 0.1 . 1 . . . . . . . . 4448 1 1105 . 1 1 108 108 PHE N N 15 119.5 0.1 . 1 . . . . . . . . 4448 1 1106 . 1 1 108 108 PHE H H 1 8.51 0.03 . 1 . . . . . . . . 4448 1 1107 . 1 1 108 108 PHE CA C 13 57.7 0.1 . 1 . . . . . . . . 4448 1 1108 . 1 1 108 108 PHE HA H 1 5.05 0.03 . 1 . . . . . . . . 4448 1 1109 . 1 1 108 108 PHE CB C 13 45.7 0.1 . 1 . . . . . . . . 4448 1 1110 . 1 1 108 108 PHE HB2 H 1 3.04 0.03 . 2 . . . . . . . . 4448 1 1111 . 1 1 108 108 PHE HB3 H 1 2.82 0.03 . 2 . . . . . . . . 4448 1 1112 . 1 1 108 108 PHE HD1 H 1 6.98 0.03 . 1 . . . . . . . . 4448 1 1113 . 1 1 108 108 PHE HD2 H 1 6.98 0.03 . 1 . . . . . . . . 4448 1 1114 . 1 1 108 108 PHE HE1 H 1 7.07 0.03 . 1 . . . . . . . . 4448 1 1115 . 1 1 108 108 PHE HE2 H 1 7.07 0.03 . 1 . . . . . . . . 4448 1 1116 . 1 1 108 108 PHE C C 13 173.1 0.1 . 1 . . . . . . . . 4448 1 1117 . 1 1 109 109 LEU N N 15 125.0 0.1 . 1 . . . . . . . . 4448 1 1118 . 1 1 109 109 LEU H H 1 8.67 0.03 . 1 . . . . . . . . 4448 1 1119 . 1 1 109 109 LEU CA C 13 52.8 0.1 . 1 . . . . . . . . 4448 1 1120 . 1 1 109 109 LEU HA H 1 5.30 0.03 . 1 . . . . . . . . 4448 1 1121 . 1 1 109 109 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 4448 1 1122 . 1 1 109 109 LEU HB2 H 1 -0.98 0.03 . 1 . . . . . . . . 4448 1 1123 . 1 1 109 109 LEU HB3 H 1 -0.98 0.03 . 1 . . . . . . . . 4448 1 1124 . 1 1 109 109 LEU CG C 13 26.5 0.1 . 1 . . . . . . . . 4448 1 1125 . 1 1 109 109 LEU HG H 1 0.29 0.03 . 1 . . . . . . . . 4448 1 1126 . 1 1 109 109 LEU HD11 H 1 0.87 0.03 . 2 . . . . . . . . 4448 1 1127 . 1 1 109 109 LEU HD12 H 1 0.87 0.03 . 2 . . . . . . . . 4448 1 1128 . 1 1 109 109 LEU HD13 H 1 0.87 0.03 . 2 . . . . . . . . 4448 1 1129 . 1 1 109 109 LEU HD21 H 1 0.74 0.03 . 2 . . . . . . . . 4448 1 1130 . 1 1 109 109 LEU HD22 H 1 0.74 0.03 . 2 . . . . . . . . 4448 1 1131 . 1 1 109 109 LEU HD23 H 1 0.74 0.03 . 2 . . . . . . . . 4448 1 1132 . 1 1 109 109 LEU CD1 C 13 26.3 0.1 . 1 . . . . . . . . 4448 1 1133 . 1 1 109 109 LEU CD2 C 13 22.3 0.1 . 1 . . . . . . . . 4448 1 1134 . 1 1 109 109 LEU C C 13 175.4 0.1 . 1 . . . . . . . . 4448 1 1135 . 1 1 110 110 PHE N N 15 129.1 0.1 . 1 . . . . . . . . 4448 1 1136 . 1 1 110 110 PHE H H 1 9.88 0.03 . 1 . . . . . . . . 4448 1 1137 . 1 1 110 110 PHE CA C 13 54.6 0.1 . 1 . . . . . . . . 4448 1 1138 . 1 1 110 110 PHE HA H 1 5.49 0.03 . 1 . . . . . . . . 4448 1 1139 . 1 1 110 110 PHE CB C 13 43.7 0.1 . 1 . . . . . . . . 4448 1 1140 . 1 1 110 110 PHE HB2 H 1 2.78 0.03 . 2 . . . . . . . . 4448 1 1141 . 1 1 110 110 PHE HB3 H 1 2.49 0.03 . 2 . . . . . . . . 4448 1 1142 . 1 1 110 110 PHE HD1 H 1 6.86 0.03 . 1 . . . . . . . . 4448 1 1143 . 1 1 110 110 PHE HD2 H 1 6.86 0.03 . 1 . . . . . . . . 4448 1 1144 . 1 1 110 110 PHE C C 13 174.3 0.1 . 1 . . . . . . . . 4448 1 1145 . 1 1 111 111 LYS N N 15 122.6 0.1 . 1 . . . . . . . . 4448 1 1146 . 1 1 111 111 LYS H H 1 9.40 0.03 . 1 . . . . . . . . 4448 1 1147 . 1 1 111 111 LYS CA C 13 53.9 0.1 . 1 . . . . . . . . 4448 1 1148 . 1 1 111 111 LYS HA H 1 4.97 0.03 . 1 . . . . . . . . 4448 1 1149 . 1 1 111 111 LYS CB C 13 34.9 0.1 . 1 . . . . . . . . 4448 1 1150 . 1 1 111 111 LYS HB2 H 1 1.78 0.03 . 2 . . . . . . . . 4448 1 1151 . 1 1 111 111 LYS HB3 H 1 1.56 0.03 . 2 . . . . . . . . 4448 1 1152 . 1 1 111 111 LYS CG C 13 24.4 0.1 . 1 . . . . . . . . 4448 1 1153 . 1 1 111 111 LYS HG2 H 1 1.24 0.03 . 1 . . . . . . . . 4448 1 1154 . 1 1 111 111 LYS HG3 H 1 1.24 0.03 . 1 . . . . . . . . 4448 1 1155 . 1 1 111 111 LYS CD C 13 28.8 0.1 . 1 . . . . . . . . 4448 1 1156 . 1 1 111 111 LYS HD2 H 1 1.64 0.03 . 2 . . . . . . . . 4448 1 1157 . 1 1 111 111 LYS HD3 H 1 1.58 0.03 . 2 . . . . . . . . 4448 1 1158 . 1 1 111 111 LYS CE C 13 41.4 0.1 . 1 . . . . . . . . 4448 1 1159 . 1 1 111 111 LYS HE2 H 1 2.81 0.03 . 1 . . . . . . . . 4448 1 1160 . 1 1 111 111 LYS HE3 H 1 2.81 0.03 . 1 . . . . . . . . 4448 1 1161 . 1 1 111 111 LYS C C 13 175.5 0.1 . 1 . . . . . . . . 4448 1 1162 . 1 1 112 112 PHE N N 15 128.2 0.1 . 1 . . . . . . . . 4448 1 1163 . 1 1 112 112 PHE H H 1 9.53 0.03 . 1 . . . . . . . . 4448 1 1164 . 1 1 112 112 PHE CA C 13 56.0 0.1 . 1 . . . . . . . . 4448 1 1165 . 1 1 112 112 PHE HA H 1 5.08 0.03 . 1 . . . . . . . . 4448 1 1166 . 1 1 112 112 PHE CB C 13 39.7 0.1 . 1 . . . . . . . . 4448 1 1167 . 1 1 112 112 PHE HB2 H 1 3.07 0.03 . 2 . . . . . . . . 4448 1 1168 . 1 1 112 112 PHE HB3 H 1 3.04 0.03 . 2 . . . . . . . . 4448 1 1169 . 1 1 112 112 PHE HD1 H 1 7.45 0.03 . 1 . . . . . . . . 4448 1 1170 . 1 1 112 112 PHE HD2 H 1 7.45 0.03 . 1 . . . . . . . . 4448 1 1171 . 1 1 112 112 PHE C C 13 176.2 0.1 . 1 . . . . . . . . 4448 1 1172 . 1 1 113 113 THR N N 15 121.1 0.1 . 1 . . . . . . . . 4448 1 1173 . 1 1 113 113 THR H H 1 8.54 0.03 . 1 . . . . . . . . 4448 1 1174 . 1 1 113 113 THR CA C 13 60.6 0.1 . 1 . . . . . . . . 4448 1 1175 . 1 1 113 113 THR HA H 1 4.38 0.03 . 1 . . . . . . . . 4448 1 1176 . 1 1 113 113 THR CB C 13 67.8 0.1 . 1 . . . . . . . . 4448 1 1177 . 1 1 113 113 THR HB H 1 4.38 0.03 . 1 . . . . . . . . 4448 1 1178 . 1 1 113 113 THR HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4448 1 1179 . 1 1 113 113 THR HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4448 1 1180 . 1 1 113 113 THR HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4448 1 1181 . 1 1 113 113 THR CG2 C 13 20.9 0.1 . 1 . . . . . . . . 4448 1 1182 . 1 1 113 113 THR C C 13 174.5 0.1 . 1 . . . . . . . . 4448 1 1183 . 1 1 114 114 GLY N N 15 108.7 0.1 . 1 . . . . . . . . 4448 1 1184 . 1 1 114 114 GLY H H 1 5.09 0.03 . 1 . . . . . . . . 4448 1 1185 . 1 1 114 114 GLY CA C 13 43.6 0.1 . 1 . . . . . . . . 4448 1 1186 . 1 1 114 114 GLY HA2 H 1 4.34 0.03 . 2 . . . . . . . . 4448 1 1187 . 1 1 114 114 GLY HA3 H 1 3.06 0.03 . 2 . . . . . . . . 4448 1 1188 . 1 1 114 114 GLY C C 13 177.1 0.1 . 1 . . . . . . . . 4448 1 1189 . 1 1 115 115 GLN N N 15 119.2 0.1 . 1 . . . . . . . . 4448 1 1190 . 1 1 115 115 GLN H H 1 8.66 0.03 . 1 . . . . . . . . 4448 1 1191 . 1 1 115 115 GLN CA C 13 53.6 0.1 . 1 . . . . . . . . 4448 1 1192 . 1 1 115 115 GLN HA H 1 4.74 0.03 . 1 . . . . . . . . 4448 1 1193 . 1 1 115 115 GLN CB C 13 30.7 0.1 . 1 . . . . . . . . 4448 1 1194 . 1 1 115 115 GLN HB2 H 1 2.49 0.03 . 2 . . . . . . . . 4448 1 1195 . 1 1 115 115 GLN HB3 H 1 2.00 0.03 . 2 . . . . . . . . 4448 1 1196 . 1 1 115 115 GLN CG C 13 33.3 0.1 . 1 . . . . . . . . 4448 1 1197 . 1 1 115 115 GLN HG2 H 1 2.41 0.03 . 1 . . . . . . . . 4448 1 1198 . 1 1 115 115 GLN HG3 H 1 2.41 0.03 . 1 . . . . . . . . 4448 1 1199 . 1 1 115 115 GLN NE2 N 15 114.1 0.1 . 1 . . . . . . . . 4448 1 1200 . 1 1 115 115 GLN HE21 H 1 7.59 0.03 . 2 . . . . . . . . 4448 1 1201 . 1 1 115 115 GLN HE22 H 1 6.84 0.03 . 2 . . . . . . . . 4448 1 1202 . 1 1 115 115 GLN C C 13 177.1 0.1 . 1 . . . . . . . . 4448 1 1203 . 1 1 116 116 ASP N N 15 124.1 0.1 . 1 . . . . . . . . 4448 1 1204 . 1 1 116 116 ASP H H 1 9.15 0.03 . 1 . . . . . . . . 4448 1 1205 . 1 1 116 116 ASP CA C 13 58.0 0.1 . 1 . . . . . . . . 4448 1 1206 . 1 1 116 116 ASP HA H 1 4.71 0.03 . 1 . . . . . . . . 4448 1 1207 . 1 1 116 116 ASP CB C 13 39.9 0.1 . 1 . . . . . . . . 4448 1 1208 . 1 1 116 116 ASP HB2 H 1 3.16 0.03 . 2 . . . . . . . . 4448 1 1209 . 1 1 116 116 ASP HB3 H 1 2.96 0.03 . 2 . . . . . . . . 4448 1 1210 . 1 1 116 116 ASP C C 13 177.9 0.1 . 1 . . . . . . . . 4448 1 1211 . 1 1 117 117 GLN N N 15 118.4 0.1 . 1 . . . . . . . . 4448 1 1212 . 1 1 117 117 GLN H H 1 8.35 0.03 . 1 . . . . . . . . 4448 1 1213 . 1 1 117 117 GLN CA C 13 58.1 0.1 . 1 . . . . . . . . 4448 1 1214 . 1 1 117 117 GLN HA H 1 4.34 0.03 . 1 . . . . . . . . 4448 1 1215 . 1 1 117 117 GLN CB C 13 27.6 0.1 . 1 . . . . . . . . 4448 1 1216 . 1 1 117 117 GLN HB2 H 1 2.21 0.03 . 1 . . . . . . . . 4448 1 1217 . 1 1 117 117 GLN HB3 H 1 2.21 0.03 . 1 . . . . . . . . 4448 1 1218 . 1 1 117 117 GLN CG C 13 33.5 0.1 . 1 . . . . . . . . 4448 1 1219 . 1 1 117 117 GLN HG2 H 1 2.51 0.03 . 1 . . . . . . . . 4448 1 1220 . 1 1 117 117 GLN HG3 H 1 2.51 0.03 . 1 . . . . . . . . 4448 1 1221 . 1 1 117 117 GLN NE2 N 15 113.4 0.1 . 1 . . . . . . . . 4448 1 1222 . 1 1 117 117 GLN HE21 H 1 7.64 0.03 . 2 . . . . . . . . 4448 1 1223 . 1 1 117 117 GLN HE22 H 1 6.95 0.03 . 2 . . . . . . . . 4448 1 1224 . 1 1 117 117 GLN C C 13 175.7 0.1 . 1 . . . . . . . . 4448 1 1225 . 1 1 118 118 GLU N N 15 121.2 0.1 . 1 . . . . . . . . 4448 1 1226 . 1 1 118 118 GLU H H 1 8.50 0.03 . 1 . . . . . . . . 4448 1 1227 . 1 1 118 118 GLU CA C 13 57.9 0.1 . 1 . . . . . . . . 4448 1 1228 . 1 1 118 118 GLU HA H 1 4.06 0.03 . 1 . . . . . . . . 4448 1 1229 . 1 1 118 118 GLU CB C 13 31.4 0.1 . 1 . . . . . . . . 4448 1 1230 . 1 1 118 118 GLU HB2 H 1 2.46 0.03 . 2 . . . . . . . . 4448 1 1231 . 1 1 118 118 GLU HB3 H 1 2.20 0.03 . 2 . . . . . . . . 4448 1 1232 . 1 1 118 118 GLU CG C 13 37.8 0.1 . 1 . . . . . . . . 4448 1 1233 . 1 1 118 118 GLU HG2 H 1 2.52 0.03 . 2 . . . . . . . . 4448 1 1234 . 1 1 118 118 GLU HG3 H 1 2.41 0.03 . 2 . . . . . . . . 4448 1 1235 . 1 1 118 118 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4448 1 1236 . 1 1 119 119 ILE N N 15 119.0 0.1 . 1 . . . . . . . . 4448 1 1237 . 1 1 119 119 ILE H H 1 7.28 0.03 . 1 . . . . . . . . 4448 1 1238 . 1 1 119 119 ILE CA C 13 62.8 0.1 . 1 . . . . . . . . 4448 1 1239 . 1 1 119 119 ILE HA H 1 3.55 0.03 . 1 . . . . . . . . 4448 1 1240 . 1 1 119 119 ILE CB C 13 36.1 0.1 . 1 . . . . . . . . 4448 1 1241 . 1 1 119 119 ILE HB H 1 1.36 0.03 . 1 . . . . . . . . 4448 1 1242 . 1 1 119 119 ILE HG21 H 1 -0.35 0.03 . 1 . . . . . . . . 4448 1 1243 . 1 1 119 119 ILE HG22 H 1 -0.35 0.03 . 1 . . . . . . . . 4448 1 1244 . 1 1 119 119 ILE HG23 H 1 -0.35 0.03 . 1 . . . . . . . . 4448 1 1245 . 1 1 119 119 ILE CG2 C 13 16.0 0.1 . 1 . . . . . . . . 4448 1 1246 . 1 1 119 119 ILE CG1 C 13 28.9 0.1 . 1 . . . . . . . . 4448 1 1247 . 1 1 119 119 ILE HG12 H 1 0.81 0.03 . 2 . . . . . . . . 4448 1 1248 . 1 1 119 119 ILE HG13 H 1 -0.11 0.03 . 2 . . . . . . . . 4448 1 1249 . 1 1 119 119 ILE HD11 H 1 -0.34 0.03 . 1 . . . . . . . . 4448 1 1250 . 1 1 119 119 ILE HD12 H 1 -0.34 0.03 . 1 . . . . . . . . 4448 1 1251 . 1 1 119 119 ILE HD13 H 1 -0.34 0.03 . 1 . . . . . . . . 4448 1 1252 . 1 1 119 119 ILE CD1 C 13 12.5 0.1 . 1 . . . . . . . . 4448 1 1253 . 1 1 119 119 ILE C C 13 176.0 0.1 . 1 . . . . . . . . 4448 1 1254 . 1 1 120 120 ASN N N 15 128.0 0.1 . 1 . . . . . . . . 4448 1 1255 . 1 1 120 120 ASN H H 1 8.73 0.03 . 1 . . . . . . . . 4448 1 1256 . 1 1 120 120 ASN CA C 13 51.8 0.1 . 1 . . . . . . . . 4448 1 1257 . 1 1 120 120 ASN HA H 1 4.78 0.03 . 1 . . . . . . . . 4448 1 1258 . 1 1 120 120 ASN CB C 13 39.8 0.1 . 1 . . . . . . . . 4448 1 1259 . 1 1 120 120 ASN HB2 H 1 2.77 0.03 . 2 . . . . . . . . 4448 1 1260 . 1 1 120 120 ASN HB3 H 1 2.72 0.03 . 2 . . . . . . . . 4448 1 1261 . 1 1 120 120 ASN ND2 N 15 113.2 0.1 . 1 . . . . . . . . 4448 1 1262 . 1 1 120 120 ASN HD21 H 1 7.67 0.03 . 2 . . . . . . . . 4448 1 1263 . 1 1 120 120 ASN HD22 H 1 6.86 0.03 . 2 . . . . . . . . 4448 1 1264 . 1 1 120 120 ASN C C 13 174.6 0.1 . 1 . . . . . . . . 4448 1 1265 . 1 1 121 121 LEU N N 15 124.1 0.1 . 1 . . . . . . . . 4448 1 1266 . 1 1 121 121 LEU H H 1 9.01 0.03 . 1 . . . . . . . . 4448 1 1267 . 1 1 121 121 LEU CA C 13 55.2 0.1 . 1 . . . . . . . . 4448 1 1268 . 1 1 121 121 LEU HA H 1 4.31 0.03 . 1 . . . . . . . . 4448 1 1269 . 1 1 121 121 LEU CB C 13 40.1 0.1 . 1 . . . . . . . . 4448 1 1270 . 1 1 121 121 LEU HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4448 1 1271 . 1 1 121 121 LEU HB3 H 1 1.76 0.03 . 2 . . . . . . . . 4448 1 1272 . 1 1 121 121 LEU CG C 13 26.3 0.1 . 1 . . . . . . . . 4448 1 1273 . 1 1 121 121 LEU HG H 1 1.87 0.03 . 1 . . . . . . . . 4448 1 1274 . 1 1 121 121 LEU HD11 H 1 0.86 0.03 . 2 . . . . . . . . 4448 1 1275 . 1 1 121 121 LEU HD12 H 1 0.86 0.03 . 2 . . . . . . . . 4448 1 1276 . 1 1 121 121 LEU HD13 H 1 0.86 0.03 . 2 . . . . . . . . 4448 1 1277 . 1 1 121 121 LEU HD21 H 1 0.88 0.03 . 2 . . . . . . . . 4448 1 1278 . 1 1 121 121 LEU HD22 H 1 0.88 0.03 . 2 . . . . . . . . 4448 1 1279 . 1 1 121 121 LEU HD23 H 1 0.88 0.03 . 2 . . . . . . . . 4448 1 1280 . 1 1 121 121 LEU CD1 C 13 25.3 0.1 . 1 . . . . . . . . 4448 1 1281 . 1 1 121 121 LEU CD2 C 13 21.4 0.1 . 1 . . . . . . . . 4448 1 1282 . 1 1 121 121 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 4448 1 1283 . 1 1 122 122 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 4448 1 1284 . 1 1 122 122 LEU H H 1 7.83 0.03 . 1 . . . . . . . . 4448 1 1285 . 1 1 122 122 LEU CA C 13 55.4 0.1 . 1 . . . . . . . . 4448 1 1286 . 1 1 122 122 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 4448 1 1287 . 1 1 122 122 LEU CB C 13 43.4 0.1 . 1 . . . . . . . . 4448 1 1288 . 1 1 122 122 LEU HB2 H 1 1.87 0.03 . 2 . . . . . . . . 4448 1 1289 . 1 1 122 122 LEU HB3 H 1 1.65 0.03 . 2 . . . . . . . . 4448 1 1290 . 1 1 122 122 LEU CG C 13 26.6 0.1 . 1 . . . . . . . . 4448 1 1291 . 1 1 122 122 LEU HG H 1 1.68 0.03 . 1 . . . . . . . . 4448 1 1292 . 1 1 122 122 LEU HD11 H 1 0.92 0.03 . 2 . . . . . . . . 4448 1 1293 . 1 1 122 122 LEU HD12 H 1 0.92 0.03 . 2 . . . . . . . . 4448 1 1294 . 1 1 122 122 LEU HD13 H 1 0.92 0.03 . 2 . . . . . . . . 4448 1 1295 . 1 1 122 122 LEU HD21 H 1 0.83 0.03 . 2 . . . . . . . . 4448 1 1296 . 1 1 122 122 LEU HD22 H 1 0.83 0.03 . 2 . . . . . . . . 4448 1 1297 . 1 1 122 122 LEU HD23 H 1 0.83 0.03 . 2 . . . . . . . . 4448 1 1298 . 1 1 122 122 LEU CD1 C 13 24.8 0.1 . 1 . . . . . . . . 4448 1 1299 . 1 1 122 122 LEU CD2 C 13 23.1 0.1 . 1 . . . . . . . . 4448 1 1300 . 1 1 122 122 LEU C C 13 178.2 0.1 . 1 . . . . . . . . 4448 1 1301 . 1 1 123 123 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 4448 1 1302 . 1 1 123 123 GLY H H 1 7.79 0.03 . 1 . . . . . . . . 4448 1 1303 . 1 1 123 123 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 4448 1 1304 . 1 1 123 123 GLY HA2 H 1 4.04 0.03 . 2 . . . . . . . . 4448 1 1305 . 1 1 123 123 GLY HA3 H 1 3.76 0.03 . 2 . . . . . . . . 4448 1 1306 . 1 1 123 123 GLY C C 13 177.5 0.1 . 1 . . . . . . . . 4448 1 1307 . 1 1 124 124 ASP N N 15 123.8 0.1 . 1 . . . . . . . . 4448 1 1308 . 1 1 124 124 ASP H H 1 8.49 0.03 . 1 . . . . . . . . 4448 1 1309 . 1 1 124 124 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . 4448 1 1310 . 1 1 124 124 ASP HA H 1 4.60 0.03 . 1 . . . . . . . . 4448 1 1311 . 1 1 124 124 ASP CB C 13 40.4 0.1 . 1 . . . . . . . . 4448 1 1312 . 1 1 124 124 ASP HB2 H 1 2.97 0.03 . 2 . . . . . . . . 4448 1 1313 . 1 1 124 124 ASP HB3 H 1 2.60 0.03 . 2 . . . . . . . . 4448 1 1314 . 1 1 124 124 ASP C C 13 177.5 0.1 . 1 . . . . . . . . 4448 1 1315 . 1 1 125 125 GLY N N 15 110.6 0.1 . 1 . . . . . . . . 4448 1 1316 . 1 1 125 125 GLY H H 1 8.53 0.03 . 1 . . . . . . . . 4448 1 1317 . 1 1 125 125 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4448 1 1318 . 1 1 125 125 GLY HA2 H 1 4.22 0.03 . 2 . . . . . . . . 4448 1 1319 . 1 1 125 125 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 4448 1 1320 . 1 1 125 125 GLY C C 13 174.8 0.1 . 1 . . . . . . . . 4448 1 1321 . 1 1 126 126 SER N N 15 118.2 0.1 . 1 . . . . . . . . 4448 1 1322 . 1 1 126 126 SER H H 1 8.44 0.03 . 1 . . . . . . . . 4448 1 1323 . 1 1 126 126 SER CA C 13 59.8 0.1 . 1 . . . . . . . . 4448 1 1324 . 1 1 126 126 SER HA H 1 4.27 0.03 . 1 . . . . . . . . 4448 1 1325 . 1 1 126 126 SER CB C 13 63.4 0.1 . 1 . . . . . . . . 4448 1 1326 . 1 1 126 126 SER HB2 H 1 3.91 0.03 . 2 . . . . . . . . 4448 1 1327 . 1 1 126 126 SER HB3 H 1 3.82 0.03 . 2 . . . . . . . . 4448 1 1328 . 1 1 126 126 SER C C 13 174.4 0.1 . 1 . . . . . . . . 4448 1 1329 . 1 1 127 127 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 4448 1 1330 . 1 1 127 127 GLU H H 1 8.32 0.03 . 1 . . . . . . . . 4448 1 1331 . 1 1 127 127 GLU CA C 13 54.8 0.1 . 1 . . . . . . . . 4448 1 1332 . 1 1 127 127 GLU HA H 1 4.49 0.03 . 1 . . . . . . . . 4448 1 1333 . 1 1 127 127 GLU CB C 13 31.3 0.1 . 1 . . . . . . . . 4448 1 1334 . 1 1 127 127 GLU HB2 H 1 2.06 0.03 . 2 . . . . . . . . 4448 1 1335 . 1 1 127 127 GLU HB3 H 1 1.82 0.03 . 2 . . . . . . . . 4448 1 1336 . 1 1 127 127 GLU CG C 13 35.1 0.1 . 1 . . . . . . . . 4448 1 1337 . 1 1 127 127 GLU HG2 H 1 2.32 0.03 . 2 . . . . . . . . 4448 1 1338 . 1 1 127 127 GLU HG3 H 1 2.25 0.03 . 2 . . . . . . . . 4448 1 1339 . 1 1 127 127 GLU C C 13 175.6 0.1 . 1 . . . . . . . . 4448 1 1340 . 1 1 128 128 LYS N N 15 124.1 0.1 . 1 . . . . . . . . 4448 1 1341 . 1 1 128 128 LYS H H 1 8.51 0.03 . 1 . . . . . . . . 4448 1 1342 . 1 1 128 128 LYS CA C 13 54.3 0.1 . 1 . . . . . . . . 4448 1 1343 . 1 1 128 128 LYS HA H 1 4.46 0.03 . 1 . . . . . . . . 4448 1 1344 . 1 1 128 128 LYS CB C 13 31.6 0.1 . 1 . . . . . . . . 4448 1 1345 . 1 1 128 128 LYS HB2 H 1 1.73 0.03 . 1 . . . . . . . . 4448 1 1346 . 1 1 128 128 LYS HB3 H 1 1.73 0.03 . 1 . . . . . . . . 4448 1 1347 . 1 1 128 128 LYS CG C 13 24.0 0.1 . 1 . . . . . . . . 4448 1 1348 . 1 1 128 128 LYS HG2 H 1 1.44 0.03 . 1 . . . . . . . . 4448 1 1349 . 1 1 128 128 LYS HG3 H 1 1.44 0.03 . 1 . . . . . . . . 4448 1 1350 . 1 1 128 128 LYS CD C 13 28.8 0.1 . 1 . . . . . . . . 4448 1 1351 . 1 1 128 128 LYS HD2 H 1 1.66 0.03 . 1 . . . . . . . . 4448 1 1352 . 1 1 128 128 LYS HD3 H 1 1.66 0.03 . 1 . . . . . . . . 4448 1 1353 . 1 1 128 128 LYS CE C 13 41.6 0.1 . 1 . . . . . . . . 4448 1 1354 . 1 1 128 128 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4448 1 1355 . 1 1 128 128 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4448 1 1356 . 1 1 128 128 LYS C C 13 174.4 0.1 . 1 . . . . . . . . 4448 1 1357 . 1 1 129 129 PRO CD C 13 50.2 0.1 . 1 . . . . . . . . 4448 1 1358 . 1 1 129 129 PRO CA C 13 63.0 0.1 . 1 . . . . . . . . 4448 1 1359 . 1 1 129 129 PRO HA H 1 4.48 0.03 . 1 . . . . . . . . 4448 1 1360 . 1 1 129 129 PRO CB C 13 32.0 0.1 . 1 . . . . . . . . 4448 1 1361 . 1 1 129 129 PRO HB2 H 1 2.47 0.03 . 2 . . . . . . . . 4448 1 1362 . 1 1 129 129 PRO HB3 H 1 2.00 0.03 . 2 . . . . . . . . 4448 1 1363 . 1 1 129 129 PRO CG C 13 27.1 0.1 . 1 . . . . . . . . 4448 1 1364 . 1 1 129 129 PRO HG2 H 1 2.03 0.03 . 2 . . . . . . . . 4448 1 1365 . 1 1 129 129 PRO HG3 H 1 1.99 0.03 . 2 . . . . . . . . 4448 1 1366 . 1 1 129 129 PRO HD2 H 1 3.83 0.03 . 2 . . . . . . . . 4448 1 1367 . 1 1 129 129 PRO HD3 H 1 3.56 0.03 . 2 . . . . . . . . 4448 1 1368 . 1 1 129 129 PRO C C 13 176.0 0.1 . 1 . . . . . . . . 4448 1 1369 . 1 1 130 130 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 4448 1 1370 . 1 1 130 130 GLU H H 1 8.48 0.03 . 1 . . . . . . . . 4448 1 1371 . 1 1 130 130 GLU CA C 13 57.1 0.1 . 1 . . . . . . . . 4448 1 1372 . 1 1 130 130 GLU HA H 1 4.09 0.03 . 1 . . . . . . . . 4448 1 1373 . 1 1 130 130 GLU CB C 13 30.8 0.1 . 1 . . . . . . . . 4448 1 1374 . 1 1 130 130 GLU HB2 H 1 1.50 0.03 . 2 . . . . . . . . 4448 1 1375 . 1 1 130 130 GLU HB3 H 1 1.26 0.03 . 2 . . . . . . . . 4448 1 1376 . 1 1 130 130 GLU CG C 13 34.9 0.1 . 1 . . . . . . . . 4448 1 1377 . 1 1 130 130 GLU HG2 H 1 1.79 0.03 . 2 . . . . . . . . 4448 1 1378 . 1 1 130 130 GLU HG3 H 1 1.62 0.03 . 2 . . . . . . . . 4448 1 1379 . 1 1 130 130 GLU C C 13 177.0 0.1 . 1 . . . . . . . . 4448 1 1380 . 1 1 131 131 PHE N N 15 119.5 0.1 . 1 . . . . . . . . 4448 1 1381 . 1 1 131 131 PHE H H 1 8.45 0.03 . 1 . . . . . . . . 4448 1 1382 . 1 1 131 131 PHE CA C 13 55.5 0.1 . 1 . . . . . . . . 4448 1 1383 . 1 1 131 131 PHE HA H 1 5.41 0.03 . 1 . . . . . . . . 4448 1 1384 . 1 1 131 131 PHE CB C 13 42.3 0.1 . 1 . . . . . . . . 4448 1 1385 . 1 1 131 131 PHE HB2 H 1 3.22 0.03 . 2 . . . . . . . . 4448 1 1386 . 1 1 131 131 PHE HB3 H 1 3.00 0.03 . 2 . . . . . . . . 4448 1 1387 . 1 1 131 131 PHE HD1 H 1 7.10 0.03 . 1 . . . . . . . . 4448 1 1388 . 1 1 131 131 PHE HD2 H 1 7.10 0.03 . 1 . . . . . . . . 4448 1 1389 . 1 1 131 131 PHE C C 13 174.8 0.1 . 1 . . . . . . . . 4448 1 1390 . 1 1 132 132 GLY N N 15 107.1 0.1 . 1 . . . . . . . . 4448 1 1391 . 1 1 132 132 GLY H H 1 8.62 0.03 . 1 . . . . . . . . 4448 1 1392 . 1 1 132 132 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 4448 1 1393 . 1 1 132 132 GLY HA2 H 1 4.32 0.03 . 2 . . . . . . . . 4448 1 1394 . 1 1 132 132 GLY HA3 H 1 3.72 0.03 . 2 . . . . . . . . 4448 1 1395 . 1 1 132 132 GLY C C 13 173.3 0.1 . 1 . . . . . . . . 4448 1 1396 . 1 1 133 133 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 4448 1 1397 . 1 1 133 133 GLU H H 1 7.43 0.03 . 1 . . . . . . . . 4448 1 1398 . 1 1 133 133 GLU CA C 13 54.7 0.1 . 1 . . . . . . . . 4448 1 1399 . 1 1 133 133 GLU HA H 1 4.59 0.03 . 1 . . . . . . . . 4448 1 1400 . 1 1 133 133 GLU CB C 13 32.8 0.1 . 1 . . . . . . . . 4448 1 1401 . 1 1 133 133 GLU HB2 H 1 1.94 0.03 . 2 . . . . . . . . 4448 1 1402 . 1 1 133 133 GLU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4448 1 1403 . 1 1 133 133 GLU CG C 13 35.5 0.1 . 1 . . . . . . . . 4448 1 1404 . 1 1 133 133 GLU HG2 H 1 2.09 0.03 . 1 . . . . . . . . 4448 1 1405 . 1 1 133 133 GLU HG3 H 1 2.09 0.03 . 1 . . . . . . . . 4448 1 1406 . 1 1 133 133 GLU C C 13 173.1 0.1 . 1 . . . . . . . . 4448 1 1407 . 1 1 134 134 TRP N N 15 118.6 0.1 . 1 . . . . . . . . 4448 1 1408 . 1 1 134 134 TRP H H 1 8.25 0.03 . 1 . . . . . . . . 4448 1 1409 . 1 1 134 134 TRP CA C 13 55.3 0.1 . 1 . . . . . . . . 4448 1 1410 . 1 1 134 134 TRP HA H 1 5.53 0.03 . 1 . . . . . . . . 4448 1 1411 . 1 1 134 134 TRP CB C 13 32.8 0.1 . 1 . . . . . . . . 4448 1 1412 . 1 1 134 134 TRP HB2 H 1 2.86 0.03 . 2 . . . . . . . . 4448 1 1413 . 1 1 134 134 TRP HB3 H 1 2.64 0.03 . 2 . . . . . . . . 4448 1 1414 . 1 1 134 134 TRP NE1 N 15 131.2 0.1 . 1 . . . . . . . . 4448 1 1415 . 1 1 134 134 TRP HD1 H 1 7.02 0.03 . 1 . . . . . . . . 4448 1 1416 . 1 1 134 134 TRP HE1 H 1 10.14 0.03 . 1 . . . . . . . . 4448 1 1417 . 1 1 134 134 TRP HZ2 H 1 7.44 0.03 . 1 . . . . . . . . 4448 1 1418 . 1 1 134 134 TRP C C 13 174.2 0.1 . 1 . . . . . . . . 4448 1 1419 . 1 1 135 135 SER N N 15 116.3 0.1 . 1 . . . . . . . . 4448 1 1420 . 1 1 135 135 SER H H 1 9.02 0.03 . 1 . . . . . . . . 4448 1 1421 . 1 1 135 135 SER CA C 13 57.6 0.1 . 1 . . . . . . . . 4448 1 1422 . 1 1 135 135 SER HA H 1 3.74 0.03 . 1 . . . . . . . . 4448 1 1423 . 1 1 135 135 SER CB C 13 66.2 0.1 . 1 . . . . . . . . 4448 1 1424 . 1 1 135 135 SER HB2 H 1 3.34 0.03 . 2 . . . . . . . . 4448 1 1425 . 1 1 135 135 SER HB3 H 1 3.11 0.03 . 2 . . . . . . . . 4448 1 1426 . 1 1 135 135 SER C C 13 172.2 0.1 . 1 . . . . . . . . 4448 1 1427 . 1 1 136 136 TRP N N 15 123.3 0.1 . 1 . . . . . . . . 4448 1 1428 . 1 1 136 136 TRP H H 1 7.91 0.03 . 1 . . . . . . . . 4448 1 1429 . 1 1 136 136 TRP CA C 13 55.3 0.1 . 1 . . . . . . . . 4448 1 1430 . 1 1 136 136 TRP HA H 1 5.51 0.03 . 1 . . . . . . . . 4448 1 1431 . 1 1 136 136 TRP CB C 13 30.0 0.1 . 1 . . . . . . . . 4448 1 1432 . 1 1 136 136 TRP HB2 H 1 3.08 0.03 . 2 . . . . . . . . 4448 1 1433 . 1 1 136 136 TRP HB3 H 1 3.12 0.03 . 2 . . . . . . . . 4448 1 1434 . 1 1 136 136 TRP NE1 N 15 132.6 0.1 . 1 . . . . . . . . 4448 1 1435 . 1 1 136 136 TRP HD1 H 1 7.45 0.03 . 1 . . . . . . . . 4448 1 1436 . 1 1 136 136 TRP HE1 H 1 11.08 0.03 . 1 . . . . . . . . 4448 1 1437 . 1 1 136 136 TRP C C 13 177.7 0.1 . 1 . . . . . . . . 4448 1 1438 . 1 1 137 137 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 4448 1 1439 . 1 1 137 137 VAL H H 1 9.93 0.03 . 1 . . . . . . . . 4448 1 1440 . 1 1 137 137 VAL CA C 13 58.8 0.1 . 1 . . . . . . . . 4448 1 1441 . 1 1 137 137 VAL HA H 1 4.97 0.03 . 1 . . . . . . . . 4448 1 1442 . 1 1 137 137 VAL CB C 13 35.1 0.1 . 1 . . . . . . . . 4448 1 1443 . 1 1 137 137 VAL HB H 1 2.18 0.03 . 1 . . . . . . . . 4448 1 1444 . 1 1 137 137 VAL HG11 H 1 0.40 0.03 . 2 . . . . . . . . 4448 1 1445 . 1 1 137 137 VAL HG12 H 1 0.40 0.03 . 2 . . . . . . . . 4448 1 1446 . 1 1 137 137 VAL HG13 H 1 0.40 0.03 . 2 . . . . . . . . 4448 1 1447 . 1 1 137 137 VAL HG21 H 1 0.67 0.03 . 2 . . . . . . . . 4448 1 1448 . 1 1 137 137 VAL HG22 H 1 0.67 0.03 . 2 . . . . . . . . 4448 1 1449 . 1 1 137 137 VAL HG23 H 1 0.67 0.03 . 2 . . . . . . . . 4448 1 1450 . 1 1 137 137 VAL CG1 C 13 20.8 0.1 . 1 . . . . . . . . 4448 1 1451 . 1 1 137 137 VAL CG2 C 13 19.5 0.1 . 1 . . . . . . . . 4448 1 1452 . 1 1 137 137 VAL C C 13 175.7 0.1 . 1 . . . . . . . . 4448 1 1453 . 1 1 138 138 THR N N 15 113.7 0.1 . 1 . . . . . . . . 4448 1 1454 . 1 1 138 138 THR H H 1 8.61 0.03 . 1 . . . . . . . . 4448 1 1455 . 1 1 138 138 THR CA C 13 60.3 0.1 . 1 . . . . . . . . 4448 1 1456 . 1 1 138 138 THR HA H 1 4.75 0.03 . 1 . . . . . . . . 4448 1 1457 . 1 1 138 138 THR CB C 13 67.7 0.1 . 1 . . . . . . . . 4448 1 1458 . 1 1 138 138 THR HB H 1 4.80 0.03 . 1 . . . . . . . . 4448 1 1459 . 1 1 138 138 THR HG21 H 1 1.36 0.03 . 1 . . . . . . . . 4448 1 1460 . 1 1 138 138 THR HG22 H 1 1.36 0.03 . 1 . . . . . . . . 4448 1 1461 . 1 1 138 138 THR HG23 H 1 1.36 0.03 . 1 . . . . . . . . 4448 1 1462 . 1 1 138 138 THR CG2 C 13 21.9 0.1 . 1 . . . . . . . . 4448 1 1463 . 1 1 138 138 THR C C 13 173.8 0.1 . 1 . . . . . . . . 4448 1 1464 . 1 1 139 139 PRO CD C 13 50.2 0.1 . 1 . . . . . . . . 4448 1 1465 . 1 1 139 139 PRO CA C 13 66.4 0.1 . 1 . . . . . . . . 4448 1 1466 . 1 1 139 139 PRO HA H 1 4.01 0.03 . 1 . . . . . . . . 4448 1 1467 . 1 1 139 139 PRO CB C 13 31.7 0.1 . 1 . . . . . . . . 4448 1 1468 . 1 1 139 139 PRO HB2 H 1 2.31 0.03 . 2 . . . . . . . . 4448 1 1469 . 1 1 139 139 PRO HB3 H 1 2.06 0.03 . 2 . . . . . . . . 4448 1 1470 . 1 1 139 139 PRO CG C 13 28.2 0.1 . 1 . . . . . . . . 4448 1 1471 . 1 1 139 139 PRO HG2 H 1 2.49 0.03 . 2 . . . . . . . . 4448 1 1472 . 1 1 139 139 PRO HG3 H 1 1.97 0.03 . 2 . . . . . . . . 4448 1 1473 . 1 1 139 139 PRO HD2 H 1 4.07 0.03 . 2 . . . . . . . . 4448 1 1474 . 1 1 139 139 PRO HD3 H 1 3.92 0.03 . 2 . . . . . . . . 4448 1 1475 . 1 1 139 139 PRO C C 13 177.3 0.1 . 1 . . . . . . . . 4448 1 1476 . 1 1 140 140 GLU N N 15 115.6 0.1 . 1 . . . . . . . . 4448 1 1477 . 1 1 140 140 GLU H H 1 8.33 0.03 . 1 . . . . . . . . 4448 1 1478 . 1 1 140 140 GLU CA C 13 59.9 0.1 . 1 . . . . . . . . 4448 1 1479 . 1 1 140 140 GLU HA H 1 3.86 0.03 . 1 . . . . . . . . 4448 1 1480 . 1 1 140 140 GLU CB C 13 28.4 0.1 . 1 . . . . . . . . 4448 1 1481 . 1 1 140 140 GLU HB2 H 1 1.99 0.03 . 2 . . . . . . . . 4448 1 1482 . 1 1 140 140 GLU HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4448 1 1483 . 1 1 140 140 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 4448 1 1484 . 1 1 140 140 GLU HG2 H 1 2.32 0.03 . 2 . . . . . . . . 4448 1 1485 . 1 1 140 140 GLU HG3 H 1 2.23 0.03 . 2 . . . . . . . . 4448 1 1486 . 1 1 140 140 GLU C C 13 179.2 0.1 . 1 . . . . . . . . 4448 1 1487 . 1 1 141 141 GLN N N 15 120.8 0.1 . 1 . . . . . . . . 4448 1 1488 . 1 1 141 141 GLN H H 1 7.71 0.03 . 1 . . . . . . . . 4448 1 1489 . 1 1 141 141 GLN CA C 13 58.0 0.1 . 1 . . . . . . . . 4448 1 1490 . 1 1 141 141 GLN HA H 1 4.01 0.03 . 1 . . . . . . . . 4448 1 1491 . 1 1 141 141 GLN CB C 13 33.8 0.1 . 1 . . . . . . . . 4448 1 1492 . 1 1 141 141 GLN HB2 H 1 2.41 0.03 . 2 . . . . . . . . 4448 1 1493 . 1 1 141 141 GLN HB3 H 1 2.26 0.03 . 2 . . . . . . . . 4448 1 1494 . 1 1 141 141 GLN CG C 13 28.8 0.1 . 1 . . . . . . . . 4448 1 1495 . 1 1 141 141 GLN HG2 H 1 1.76 0.03 . 1 . . . . . . . . 4448 1 1496 . 1 1 141 141 GLN HG3 H 1 1.76 0.03 . 1 . . . . . . . . 4448 1 1497 . 1 1 141 141 GLN NE2 N 15 111.8 0.1 . 1 . . . . . . . . 4448 1 1498 . 1 1 141 141 GLN HE21 H 1 7.40 0.03 . 2 . . . . . . . . 4448 1 1499 . 1 1 141 141 GLN HE22 H 1 6.73 0.03 . 2 . . . . . . . . 4448 1 1500 . 1 1 141 141 GLN C C 13 178.2 0.1 . 1 . . . . . . . . 4448 1 1501 . 1 1 142 142 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 4448 1 1502 . 1 1 142 142 LEU H H 1 8.32 0.03 . 1 . . . . . . . . 4448 1 1503 . 1 1 142 142 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4448 1 1504 . 1 1 142 142 LEU HA H 1 3.74 0.03 . 1 . . . . . . . . 4448 1 1505 . 1 1 142 142 LEU CB C 13 40.7 0.1 . 1 . . . . . . . . 4448 1 1506 . 1 1 142 142 LEU HB2 H 1 2.06 0.03 . 2 . . . . . . . . 4448 1 1507 . 1 1 142 142 LEU HB3 H 1 1.43 0.03 . 2 . . . . . . . . 4448 1 1508 . 1 1 142 142 LEU CG C 13 26.8 0.1 . 1 . . . . . . . . 4448 1 1509 . 1 1 142 142 LEU HG H 1 1.30 0.03 . 1 . . . . . . . . 4448 1 1510 . 1 1 142 142 LEU HD11 H 1 0.84 0.03 . 2 . . . . . . . . 4448 1 1511 . 1 1 142 142 LEU HD12 H 1 0.84 0.03 . 2 . . . . . . . . 4448 1 1512 . 1 1 142 142 LEU HD13 H 1 0.84 0.03 . 2 . . . . . . . . 4448 1 1513 . 1 1 142 142 LEU HD21 H 1 0.82 0.03 . 2 . . . . . . . . 4448 1 1514 . 1 1 142 142 LEU HD22 H 1 0.82 0.03 . 2 . . . . . . . . 4448 1 1515 . 1 1 142 142 LEU HD23 H 1 0.82 0.03 . 2 . . . . . . . . 4448 1 1516 . 1 1 142 142 LEU CD1 C 13 22.6 0.1 . 1 . . . . . . . . 4448 1 1517 . 1 1 142 142 LEU CD2 C 13 26.7 0.1 . 1 . . . . . . . . 4448 1 1518 . 1 1 142 142 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 4448 1 1519 . 1 1 143 143 ILE N N 15 117.1 0.1 . 1 . . . . . . . . 4448 1 1520 . 1 1 143 143 ILE H H 1 7.49 0.03 . 1 . . . . . . . . 4448 1 1521 . 1 1 143 143 ILE CA C 13 63.5 0.1 . 1 . . . . . . . . 4448 1 1522 . 1 1 143 143 ILE HA H 1 3.63 0.03 . 1 . . . . . . . . 4448 1 1523 . 1 1 143 143 ILE CB C 13 36.1 0.1 . 1 . . . . . . . . 4448 1 1524 . 1 1 143 143 ILE HB H 1 1.97 0.03 . 1 . . . . . . . . 4448 1 1525 . 1 1 143 143 ILE HG21 H 1 0.90 0.03 . 1 . . . . . . . . 4448 1 1526 . 1 1 143 143 ILE HG22 H 1 0.90 0.03 . 1 . . . . . . . . 4448 1 1527 . 1 1 143 143 ILE HG23 H 1 0.90 0.03 . 1 . . . . . . . . 4448 1 1528 . 1 1 143 143 ILE CG2 C 13 17.5 0.1 . 1 . . . . . . . . 4448 1 1529 . 1 1 143 143 ILE CG1 C 13 28.1 0.1 . 1 . . . . . . . . 4448 1 1530 . 1 1 143 143 ILE HG12 H 1 1.57 0.03 . 2 . . . . . . . . 4448 1 1531 . 1 1 143 143 ILE HG13 H 1 1.37 0.03 . 2 . . . . . . . . 4448 1 1532 . 1 1 143 143 ILE HD11 H 1 0.78 0.03 . 1 . . . . . . . . 4448 1 1533 . 1 1 143 143 ILE HD12 H 1 0.78 0.03 . 1 . . . . . . . . 4448 1 1534 . 1 1 143 143 ILE HD13 H 1 0.78 0.03 . 1 . . . . . . . . 4448 1 1535 . 1 1 143 143 ILE CD1 C 13 11.6 0.1 . 1 . . . . . . . . 4448 1 1536 . 1 1 143 143 ILE C C 13 177.2 0.1 . 1 . . . . . . . . 4448 1 1537 . 1 1 144 144 ASP N N 15 118.8 0.1 . 1 . . . . . . . . 4448 1 1538 . 1 1 144 144 ASP H H 1 7.28 0.03 . 1 . . . . . . . . 4448 1 1539 . 1 1 144 144 ASP CA C 13 56.8 0.1 . 1 . . . . . . . . 4448 1 1540 . 1 1 144 144 ASP HA H 1 4.42 0.03 . 1 . . . . . . . . 4448 1 1541 . 1 1 144 144 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . 4448 1 1542 . 1 1 144 144 ASP HB2 H 1 2.65 0.03 . 1 . . . . . . . . 4448 1 1543 . 1 1 144 144 ASP HB3 H 1 2.65 0.03 . 1 . . . . . . . . 4448 1 1544 . 1 1 144 144 ASP C C 13 177.9 0.1 . 1 . . . . . . . . 4448 1 1545 . 1 1 145 145 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 4448 1 1546 . 1 1 145 145 LEU H H 1 7.95 0.03 . 1 . . . . . . . . 4448 1 1547 . 1 1 145 145 LEU CA C 13 55.2 0.1 . 1 . . . . . . . . 4448 1 1548 . 1 1 145 145 LEU HA H 1 4.28 0.03 . 1 . . . . . . . . 4448 1 1549 . 1 1 145 145 LEU CB C 13 43.2 0.1 . 1 . . . . . . . . 4448 1 1550 . 1 1 145 145 LEU HB2 H 1 1.61 0.03 . 2 . . . . . . . . 4448 1 1551 . 1 1 145 145 LEU HB3 H 1 1.51 0.03 . 2 . . . . . . . . 4448 1 1552 . 1 1 145 145 LEU CG C 13 25.8 0.1 . 1 . . . . . . . . 4448 1 1553 . 1 1 145 145 LEU HG H 1 1.56 0.03 . 1 . . . . . . . . 4448 1 1554 . 1 1 145 145 LEU HD11 H 1 0.40 0.03 . 2 . . . . . . . . 4448 1 1555 . 1 1 145 145 LEU HD12 H 1 0.40 0.03 . 2 . . . . . . . . 4448 1 1556 . 1 1 145 145 LEU HD13 H 1 0.40 0.03 . 2 . . . . . . . . 4448 1 1557 . 1 1 145 145 LEU HD21 H 1 0.04 0.03 . 2 . . . . . . . . 4448 1 1558 . 1 1 145 145 LEU HD22 H 1 0.04 0.03 . 2 . . . . . . . . 4448 1 1559 . 1 1 145 145 LEU HD23 H 1 0.04 0.03 . 2 . . . . . . . . 4448 1 1560 . 1 1 145 145 LEU CD1 C 13 21.6 0.1 . 1 . . . . . . . . 4448 1 1561 . 1 1 145 145 LEU CD2 C 13 24.0 0.1 . 1 . . . . . . . . 4448 1 1562 . 1 1 145 145 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 4448 1 1563 . 1 1 146 146 THR N N 15 115.7 0.1 . 1 . . . . . . . . 4448 1 1564 . 1 1 146 146 THR H H 1 7.35 0.03 . 1 . . . . . . . . 4448 1 1565 . 1 1 146 146 THR CA C 13 62.3 0.1 . 1 . . . . . . . . 4448 1 1566 . 1 1 146 146 THR HA H 1 4.84 0.03 . 1 . . . . . . . . 4448 1 1567 . 1 1 146 146 THR CB C 13 69.8 0.1 . 1 . . . . . . . . 4448 1 1568 . 1 1 146 146 THR HB H 1 4.25 0.03 . 1 . . . . . . . . 4448 1 1569 . 1 1 146 146 THR HG21 H 1 1.08 0.03 . 1 . . . . . . . . 4448 1 1570 . 1 1 146 146 THR HG22 H 1 1.08 0.03 . 1 . . . . . . . . 4448 1 1571 . 1 1 146 146 THR HG23 H 1 1.08 0.03 . 1 . . . . . . . . 4448 1 1572 . 1 1 146 146 THR CG2 C 13 19.3 0.1 . 1 . . . . . . . . 4448 1 1573 . 1 1 146 146 THR C C 13 174.4 0.1 . 1 . . . . . . . . 4448 1 1574 . 1 1 147 147 VAL N N 15 119.6 0.1 . 1 . . . . . . . . 4448 1 1575 . 1 1 147 147 VAL H H 1 7.96 0.03 . 1 . . . . . . . . 4448 1 1576 . 1 1 147 147 VAL CA C 13 61.0 0.1 . 1 . . . . . . . . 4448 1 1577 . 1 1 147 147 VAL HA H 1 4.28 0.03 . 1 . . . . . . . . 4448 1 1578 . 1 1 147 147 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 4448 1 1579 . 1 1 147 147 VAL HB H 1 2.22 0.03 . 1 . . . . . . . . 4448 1 1580 . 1 1 147 147 VAL HG11 H 1 0.98 0.03 . 2 . . . . . . . . 4448 1 1581 . 1 1 147 147 VAL HG12 H 1 0.98 0.03 . 2 . . . . . . . . 4448 1 1582 . 1 1 147 147 VAL HG13 H 1 0.98 0.03 . 2 . . . . . . . . 4448 1 1583 . 1 1 147 147 VAL HG21 H 1 0.89 0.03 . 2 . . . . . . . . 4448 1 1584 . 1 1 147 147 VAL HG22 H 1 0.89 0.03 . 2 . . . . . . . . 4448 1 1585 . 1 1 147 147 VAL HG23 H 1 0.89 0.03 . 2 . . . . . . . . 4448 1 1586 . 1 1 147 147 VAL CG1 C 13 21.6 0.1 . 1 . . . . . . . . 4448 1 1587 . 1 1 147 147 VAL CG2 C 13 19.8 0.1 . 1 . . . . . . . . 4448 1 1588 . 1 1 147 147 VAL C C 13 178.0 0.1 . 1 . . . . . . . . 4448 1 1589 . 1 1 148 148 GLU N N 15 125.3 0.1 . 1 . . . . . . . . 4448 1 1590 . 1 1 148 148 GLU H H 1 8.79 0.03 . 1 . . . . . . . . 4448 1 1591 . 1 1 148 148 GLU CA C 13 60.8 0.1 . 1 . . . . . . . . 4448 1 1592 . 1 1 148 148 GLU HA H 1 3.72 0.03 . 1 . . . . . . . . 4448 1 1593 . 1 1 148 148 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 4448 1 1594 . 1 1 148 148 GLU HB2 H 1 2.22 0.03 . 1 . . . . . . . . 4448 1 1595 . 1 1 148 148 GLU HB3 H 1 2.22 0.03 . 1 . . . . . . . . 4448 1 1596 . 1 1 148 148 GLU CG C 13 35.3 0.1 . 1 . . . . . . . . 4448 1 1597 . 1 1 148 148 GLU HG2 H 1 2.30 0.03 . 1 . . . . . . . . 4448 1 1598 . 1 1 148 148 GLU HG3 H 1 2.30 0.03 . 1 . . . . . . . . 4448 1 1599 . 1 1 148 148 GLU C C 13 179.3 0.1 . 1 . . . . . . . . 4448 1 1600 . 1 1 149 149 PHE N N 15 114.2 0.1 . 1 . . . . . . . . 4448 1 1601 . 1 1 149 149 PHE H H 1 7.89 0.03 . 1 . . . . . . . . 4448 1 1602 . 1 1 149 149 PHE CA C 13 59.2 0.1 . 1 . . . . . . . . 4448 1 1603 . 1 1 149 149 PHE HA H 1 4.51 0.03 . 1 . . . . . . . . 4448 1 1604 . 1 1 149 149 PHE CB C 13 37.8 0.1 . 1 . . . . . . . . 4448 1 1605 . 1 1 149 149 PHE HB2 H 1 3.32 0.03 . 2 . . . . . . . . 4448 1 1606 . 1 1 149 149 PHE HB3 H 1 3.06 0.03 . 2 . . . . . . . . 4448 1 1607 . 1 1 149 149 PHE HD1 H 1 7.18 0.03 . 1 . . . . . . . . 4448 1 1608 . 1 1 149 149 PHE HD2 H 1 7.18 0.03 . 1 . . . . . . . . 4448 1 1609 . 1 1 149 149 PHE C C 13 176.3 0.1 . 1 . . . . . . . . 4448 1 1610 . 1 1 150 150 LYS N N 15 117.8 0.1 . 1 . . . . . . . . 4448 1 1611 . 1 1 150 150 LYS H H 1 7.30 0.03 . 1 . . . . . . . . 4448 1 1612 . 1 1 150 150 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 4448 1 1613 . 1 1 150 150 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 4448 1 1614 . 1 1 150 150 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 4448 1 1615 . 1 1 150 150 LYS CE C 13 42.7 0.1 . 1 . . . . . . . . 4448 1 1616 . 1 1 150 150 LYS HE2 H 1 2.94 0.03 . 1 . . . . . . . . 4448 1 1617 . 1 1 150 150 LYS HE3 H 1 2.94 0.03 . 1 . . . . . . . . 4448 1 1618 . 1 1 150 150 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 4448 1 1619 . 1 1 151 151 LYS N N 15 121.4 0.1 . 1 . . . . . . . . 4448 1 1620 . 1 1 151 151 LYS H H 1 7.39 0.03 . 1 . . . . . . . . 4448 1 1621 . 1 1 151 151 LYS CA C 13 62.9 0.1 . 1 . . . . . . . . 4448 1 1622 . 1 1 151 151 LYS HA H 1 3.70 0.03 . 1 . . . . . . . . 4448 1 1623 . 1 1 151 151 LYS CB C 13 30.4 0.1 . 1 . . . . . . . . 4448 1 1624 . 1 1 151 151 LYS HB2 H 1 2.04 0.03 . 2 . . . . . . . . 4448 1 1625 . 1 1 151 151 LYS HB3 H 1 1.72 0.03 . 2 . . . . . . . . 4448 1 1626 . 1 1 151 151 LYS C C 13 174.9 0.1 . 1 . . . . . . . . 4448 1 1627 . 1 1 152 152 PRO CD C 13 50.1 0.1 . 1 . . . . . . . . 4448 1 1628 . 1 1 152 152 PRO CA C 13 65.9 0.1 . 1 . . . . . . . . 4448 1 1629 . 1 1 152 152 PRO HA H 1 4.23 0.03 . 1 . . . . . . . . 4448 1 1630 . 1 1 152 152 PRO CB C 13 31.1 0.1 . 1 . . . . . . . . 4448 1 1631 . 1 1 152 152 PRO HB2 H 1 2.40 0.03 . 2 . . . . . . . . 4448 1 1632 . 1 1 152 152 PRO HB3 H 1 1.82 0.03 . 2 . . . . . . . . 4448 1 1633 . 1 1 152 152 PRO CG C 13 28.1 0.1 . 1 . . . . . . . . 4448 1 1634 . 1 1 152 152 PRO HG2 H 1 2.10 0.03 . 2 . . . . . . . . 4448 1 1635 . 1 1 152 152 PRO HG3 H 1 2.02 0.03 . 2 . . . . . . . . 4448 1 1636 . 1 1 152 152 PRO HD2 H 1 3.81 0.03 . 2 . . . . . . . . 4448 1 1637 . 1 1 152 152 PRO HD3 H 1 3.64 0.03 . 2 . . . . . . . . 4448 1 1638 . 1 1 152 152 PRO C C 13 180.1 0.1 . 1 . . . . . . . . 4448 1 1639 . 1 1 153 153 VAL N N 15 118.6 0.1 . 1 . . . . . . . . 4448 1 1640 . 1 1 153 153 VAL H H 1 6.64 0.03 . 1 . . . . . . . . 4448 1 1641 . 1 1 153 153 VAL CA C 13 65.5 0.1 . 1 . . . . . . . . 4448 1 1642 . 1 1 153 153 VAL HA H 1 3.61 0.03 . 1 . . . . . . . . 4448 1 1643 . 1 1 153 153 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 4448 1 1644 . 1 1 153 153 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 4448 1 1645 . 1 1 153 153 VAL HG11 H 1 1.03 0.03 . 2 . . . . . . . . 4448 1 1646 . 1 1 153 153 VAL HG12 H 1 1.03 0.03 . 2 . . . . . . . . 4448 1 1647 . 1 1 153 153 VAL HG13 H 1 1.03 0.03 . 2 . . . . . . . . 4448 1 1648 . 1 1 153 153 VAL HG21 H 1 1.01 0.03 . 2 . . . . . . . . 4448 1 1649 . 1 1 153 153 VAL HG22 H 1 1.01 0.03 . 2 . . . . . . . . 4448 1 1650 . 1 1 153 153 VAL HG23 H 1 1.01 0.03 . 2 . . . . . . . . 4448 1 1651 . 1 1 153 153 VAL CG1 C 13 22.4 0.1 . 1 . . . . . . . . 4448 1 1652 . 1 1 153 153 VAL CG2 C 13 20.6 0.1 . 1 . . . . . . . . 4448 1 1653 . 1 1 153 153 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 4448 1 1654 . 1 1 154 154 TYR N N 15 120.1 0.1 . 1 . . . . . . . . 4448 1 1655 . 1 1 154 154 TYR H H 1 8.32 0.03 . 1 . . . . . . . . 4448 1 1656 . 1 1 154 154 TYR CA C 13 58.0 0.1 . 1 . . . . . . . . 4448 1 1657 . 1 1 154 154 TYR HA H 1 3.78 0.03 . 1 . . . . . . . . 4448 1 1658 . 1 1 154 154 TYR CB C 13 35.3 0.1 . 1 . . . . . . . . 4448 1 1659 . 1 1 154 154 TYR HB2 H 1 3.04 0.03 . 2 . . . . . . . . 4448 1 1660 . 1 1 154 154 TYR HB3 H 1 2.68 0.03 . 2 . . . . . . . . 4448 1 1661 . 1 1 154 154 TYR HD1 H 1 6.69 0.03 . 1 . . . . . . . . 4448 1 1662 . 1 1 154 154 TYR HD2 H 1 6.69 0.03 . 1 . . . . . . . . 4448 1 1663 . 1 1 154 154 TYR C C 13 177.6 0.1 . 1 . . . . . . . . 4448 1 1664 . 1 1 155 155 LYS N N 15 119.3 0.1 . 1 . . . . . . . . 4448 1 1665 . 1 1 155 155 LYS H H 1 8.54 0.03 . 1 . . . . . . . . 4448 1 1666 . 1 1 155 155 LYS CA C 13 60.0 0.1 . 1 . . . . . . . . 4448 1 1667 . 1 1 155 155 LYS HA H 1 3.82 0.03 . 1 . . . . . . . . 4448 1 1668 . 1 1 155 155 LYS CB C 13 32.0 0.1 . 1 . . . . . . . . 4448 1 1669 . 1 1 155 155 LYS HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4448 1 1670 . 1 1 155 155 LYS HB3 H 1 1.78 0.03 . 2 . . . . . . . . 4448 1 1671 . 1 1 155 155 LYS CG C 13 28.9 0.1 . 1 . . . . . . . . 4448 1 1672 . 1 1 155 155 LYS HG2 H 1 1.63 0.03 . 1 . . . . . . . . 4448 1 1673 . 1 1 155 155 LYS HG3 H 1 1.63 0.03 . 1 . . . . . . . . 4448 1 1674 . 1 1 155 155 LYS CD C 13 67.0 0.1 . 1 . . . . . . . . 4448 1 1675 . 1 1 155 155 LYS HD2 H 1 1.60 0.03 . 2 . . . . . . . . 4448 1 1676 . 1 1 155 155 LYS HD3 H 1 1.39 0.03 . 2 . . . . . . . . 4448 1 1677 . 1 1 155 155 LYS CE C 13 41.6 0.1 . 1 . . . . . . . . 4448 1 1678 . 1 1 155 155 LYS HE2 H 1 2.93 0.03 . 2 . . . . . . . . 4448 1 1679 . 1 1 155 155 LYS HE3 H 1 2.84 0.03 . 2 . . . . . . . . 4448 1 1680 . 1 1 155 155 LYS C C 13 178.9 0.1 . 1 . . . . . . . . 4448 1 1681 . 1 1 156 156 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 4448 1 1682 . 1 1 156 156 GLU H H 1 7.24 0.03 . 1 . . . . . . . . 4448 1 1683 . 1 1 156 156 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 4448 1 1684 . 1 1 156 156 GLU HA H 1 4.07 0.03 . 1 . . . . . . . . 4448 1 1685 . 1 1 156 156 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 4448 1 1686 . 1 1 156 156 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 4448 1 1687 . 1 1 157 157 VAL N N 15 121.1 0.1 . 1 . . . . . . . . 4448 1 1688 . 1 1 157 157 VAL H H 1 8.20 0.03 . 1 . . . . . . . . 4448 1 1689 . 1 1 157 157 VAL CA C 13 66.9 0.1 . 1 . . . . . . . . 4448 1 1690 . 1 1 157 157 VAL HA H 1 2.72 0.03 . 1 . . . . . . . . 4448 1 1691 . 1 1 157 157 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 4448 1 1692 . 1 1 157 157 VAL HB H 1 1.29 0.03 . 1 . . . . . . . . 4448 1 1693 . 1 1 157 157 VAL HG11 H 1 0.17 0.03 . 2 . . . . . . . . 4448 1 1694 . 1 1 157 157 VAL HG12 H 1 0.17 0.03 . 2 . . . . . . . . 4448 1 1695 . 1 1 157 157 VAL HG13 H 1 0.17 0.03 . 2 . . . . . . . . 4448 1 1696 . 1 1 157 157 VAL HG21 H 1 -0.19 0.03 . 2 . . . . . . . . 4448 1 1697 . 1 1 157 157 VAL HG22 H 1 -0.19 0.03 . 2 . . . . . . . . 4448 1 1698 . 1 1 157 157 VAL HG23 H 1 -0.19 0.03 . 2 . . . . . . . . 4448 1 1699 . 1 1 157 157 VAL CG1 C 13 21.1 0.1 . 1 . . . . . . . . 4448 1 1700 . 1 1 157 157 VAL CG2 C 13 21.2 0.1 . 1 . . . . . . . . 4448 1 1701 . 1 1 157 157 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 4448 1 1702 . 1 1 158 158 LEU N N 15 117.0 0.1 . 1 . . . . . . . . 4448 1 1703 . 1 1 158 158 LEU H H 1 8.33 0.03 . 1 . . . . . . . . 4448 1 1704 . 1 1 158 158 LEU CA C 13 57.5 0.1 . 1 . . . . . . . . 4448 1 1705 . 1 1 158 158 LEU HA H 1 3.85 0.03 . 1 . . . . . . . . 4448 1 1706 . 1 1 158 158 LEU CB C 13 39.8 0.1 . 1 . . . . . . . . 4448 1 1707 . 1 1 158 158 LEU HB2 H 1 1.75 0.03 . 2 . . . . . . . . 4448 1 1708 . 1 1 158 158 LEU HB3 H 1 1.37 0.03 . 2 . . . . . . . . 4448 1 1709 . 1 1 158 158 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . 4448 1 1710 . 1 1 158 158 LEU HG H 1 1.69 0.03 . 1 . . . . . . . . 4448 1 1711 . 1 1 158 158 LEU HD11 H 1 0.77 0.03 . 2 . . . . . . . . 4448 1 1712 . 1 1 158 158 LEU HD12 H 1 0.77 0.03 . 2 . . . . . . . . 4448 1 1713 . 1 1 158 158 LEU HD13 H 1 0.77 0.03 . 2 . . . . . . . . 4448 1 1714 . 1 1 158 158 LEU HD21 H 1 0.75 0.03 . 2 . . . . . . . . 4448 1 1715 . 1 1 158 158 LEU HD22 H 1 0.75 0.03 . 2 . . . . . . . . 4448 1 1716 . 1 1 158 158 LEU HD23 H 1 0.75 0.03 . 2 . . . . . . . . 4448 1 1717 . 1 1 158 158 LEU CD1 C 13 25.3 0.1 . 1 . . . . . . . . 4448 1 1718 . 1 1 158 158 LEU CD2 C 13 22.5 0.1 . 1 . . . . . . . . 4448 1 1719 . 1 1 158 158 LEU C C 13 179.4 0.1 . 1 . . . . . . . . 4448 1 1720 . 1 1 159 159 SER N N 15 115.9 0.1 . 1 . . . . . . . . 4448 1 1721 . 1 1 159 159 SER H H 1 7.51 0.03 . 1 . . . . . . . . 4448 1 1722 . 1 1 159 159 SER CA C 13 61.3 0.1 . 1 . . . . . . . . 4448 1 1723 . 1 1 159 159 SER HA H 1 4.31 0.03 . 1 . . . . . . . . 4448 1 1724 . 1 1 159 159 SER CB C 13 62.3 0.1 . 1 . . . . . . . . 4448 1 1725 . 1 1 159 159 SER HB2 H 1 4.04 0.03 . 1 . . . . . . . . 4448 1 1726 . 1 1 159 159 SER HB3 H 1 4.04 0.03 . 1 . . . . . . . . 4448 1 1727 . 1 1 159 159 SER C C 13 177.2 0.1 . 1 . . . . . . . . 4448 1 1728 . 1 1 160 160 VAL N N 15 125.0 0.1 . 1 . . . . . . . . 4448 1 1729 . 1 1 160 160 VAL H H 1 7.79 0.03 . 1 . . . . . . . . 4448 1 1730 . 1 1 160 160 VAL CA C 13 65.8 0.1 . 1 . . . . . . . . 4448 1 1731 . 1 1 160 160 VAL HA H 1 3.69 0.03 . 1 . . . . . . . . 4448 1 1732 . 1 1 160 160 VAL CB C 13 30.4 0.1 . 1 . . . . . . . . 4448 1 1733 . 1 1 160 160 VAL HB H 1 1.69 0.03 . 1 . . . . . . . . 4448 1 1734 . 1 1 160 160 VAL HG11 H 1 1.03 0.03 . 2 . . . . . . . . 4448 1 1735 . 1 1 160 160 VAL HG12 H 1 1.03 0.03 . 2 . . . . . . . . 4448 1 1736 . 1 1 160 160 VAL HG13 H 1 1.03 0.03 . 2 . . . . . . . . 4448 1 1737 . 1 1 160 160 VAL HG21 H 1 0.84 0.03 . 2 . . . . . . . . 4448 1 1738 . 1 1 160 160 VAL HG22 H 1 0.84 0.03 . 2 . . . . . . . . 4448 1 1739 . 1 1 160 160 VAL HG23 H 1 0.84 0.03 . 2 . . . . . . . . 4448 1 1740 . 1 1 160 160 VAL CG1 C 13 22.4 0.1 . 1 . . . . . . . . 4448 1 1741 . 1 1 160 160 VAL CG2 C 13 21.8 0.1 . 1 . . . . . . . . 4448 1 1742 . 1 1 160 160 VAL C C 13 179.1 0.1 . 1 . . . . . . . . 4448 1 1743 . 1 1 161 161 PHE N N 15 116.9 0.1 . 1 . . . . . . . . 4448 1 1744 . 1 1 161 161 PHE H H 1 7.71 0.03 . 1 . . . . . . . . 4448 1 1745 . 1 1 161 161 PHE CA C 13 53.9 0.1 . 1 . . . . . . . . 4448 1 1746 . 1 1 161 161 PHE HA H 1 5.08 0.03 . 1 . . . . . . . . 4448 1 1747 . 1 1 161 161 PHE CB C 13 37.7 0.1 . 1 . . . . . . . . 4448 1 1748 . 1 1 161 161 PHE HB2 H 1 3.63 0.03 . 2 . . . . . . . . 4448 1 1749 . 1 1 161 161 PHE HB3 H 1 2.89 0.03 . 2 . . . . . . . . 4448 1 1750 . 1 1 161 161 PHE HD1 H 1 7.04 0.03 . 1 . . . . . . . . 4448 1 1751 . 1 1 161 161 PHE HD2 H 1 7.04 0.03 . 1 . . . . . . . . 4448 1 1752 . 1 1 161 161 PHE C C 13 174.9 0.1 . 1 . . . . . . . . 4448 1 1753 . 1 1 162 162 ALA N N 15 125.1 0.1 . 1 . . . . . . . . 4448 1 1754 . 1 1 162 162 ALA H H 1 7.35 0.03 . 1 . . . . . . . . 4448 1 1755 . 1 1 162 162 ALA CA C 13 56.8 0.1 . 1 . . . . . . . . 4448 1 1756 . 1 1 162 162 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 4448 1 1757 . 1 1 162 162 ALA HB1 H 1 1.63 0.03 . 1 . . . . . . . . 4448 1 1758 . 1 1 162 162 ALA HB2 H 1 1.63 0.03 . 1 . . . . . . . . 4448 1 1759 . 1 1 162 162 ALA HB3 H 1 1.63 0.03 . 1 . . . . . . . . 4448 1 1760 . 1 1 162 162 ALA CB C 13 16.6 0.1 . 1 . . . . . . . . 4448 1 1761 . 1 1 162 162 ALA C C 13 175.9 0.1 . 1 . . . . . . . . 4448 1 1762 . 1 1 163 163 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 4448 1 1763 . 1 1 163 163 PRO CA C 13 65.5 0.1 . 1 . . . . . . . . 4448 1 1764 . 1 1 163 163 PRO HA H 1 4.31 0.03 . 1 . . . . . . . . 4448 1 1765 . 1 1 163 163 PRO CB C 13 31.0 0.1 . 1 . . . . . . . . 4448 1 1766 . 1 1 163 163 PRO HB2 H 1 2.23 0.03 . 2 . . . . . . . . 4448 1 1767 . 1 1 163 163 PRO HB3 H 1 1.11 0.03 . 2 . . . . . . . . 4448 1 1768 . 1 1 163 163 PRO CG C 13 27.8 0.1 . 1 . . . . . . . . 4448 1 1769 . 1 1 163 163 PRO HG2 H 1 1.92 0.03 . 2 . . . . . . . . 4448 1 1770 . 1 1 163 163 PRO HG3 H 1 1.90 0.03 . 2 . . . . . . . . 4448 1 1771 . 1 1 163 163 PRO HD2 H 1 3.68 0.03 . 2 . . . . . . . . 4448 1 1772 . 1 1 163 163 PRO HD3 H 1 3.50 0.03 . 2 . . . . . . . . 4448 1 1773 . 1 1 163 163 PRO C C 13 177.2 0.1 . 1 . . . . . . . . 4448 1 1774 . 1 1 164 164 HIS N N 15 115.9 0.1 . 1 . . . . . . . . 4448 1 1775 . 1 1 164 164 HIS H H 1 8.12 0.03 . 1 . . . . . . . . 4448 1 1776 . 1 1 164 164 HIS CA C 13 55.7 0.1 . 1 . . . . . . . . 4448 1 1777 . 1 1 164 164 HIS HA H 1 4.48 0.03 . 1 . . . . . . . . 4448 1 1778 . 1 1 164 164 HIS CB C 13 32.2 0.1 . 1 . . . . . . . . 4448 1 1779 . 1 1 164 164 HIS HB2 H 1 3.10 0.03 . 2 . . . . . . . . 4448 1 1780 . 1 1 164 164 HIS HB3 H 1 2.83 0.03 . 2 . . . . . . . . 4448 1 1781 . 1 1 164 164 HIS HD2 H 1 6.85 0.03 . 1 . . . . . . . . 4448 1 1782 . 1 1 164 164 HIS C C 13 174.1 0.1 . 1 . . . . . . . . 4448 1 1783 . 1 1 165 165 LEU N N 15 126.5 0.1 . 1 . . . . . . . . 4448 1 1784 . 1 1 165 165 LEU H H 1 7.36 0.03 . 1 . . . . . . . . 4448 1 1785 . 1 1 165 165 LEU CA C 13 55.5 0.1 . 1 . . . . . . . . 4448 1 1786 . 1 1 165 165 LEU HA H 1 4.35 0.03 . 1 . . . . . . . . 4448 1 1787 . 1 1 165 165 LEU CB C 13 43.6 0.1 . 1 . . . . . . . . 4448 1 1788 . 1 1 165 165 LEU C C 13 181.4 0.1 . 1 . . . . . . . . 4448 1 stop_ save_