data_19872 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19872 _Entry.Title ; Solution structure of the apo form of human glutaredoxin 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-25 _Entry.Accession_date 2014-03-25 _Entry.Last_release_date 2015-06-05 _Entry.Original_release_date 2015-06-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lucia Banci . . . 19872 2 Diego Brancaccio . . . 19872 3 Simone Ciofi-Baffoni . . . 19872 4 Rebecca 'Del Conte' . . . 19872 5 Ravisekhar Gadepalli . . . 19872 6 Maciej Mikolajczyk . . . 19872 7 Sara Neri . . . 19872 8 Mario Piccioli . . . 19872 9 Julia Winkelmann . . . 19872 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19872 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '[2Fe-2S] cluster protein' . 19872 'iron-sulfur protein biogenesis' . 19872 'monothiol glutaredoxins' . 19872 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19872 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 19872 '15N chemical shifts' 118 19872 '1H chemical shifts' 663 19872 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-05 . original BMRB . 19872 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MMZ 'BMRB Entry Tracking System' 19872 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 19872 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24733926 _Citation.Full_citation . _Citation.Title ; [2Fe-2S] cluster transfer in iron-sulfur protein biogenesis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 111 _Citation.Journal_issue 17 _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 6203 _Citation.Page_last 6208 _Citation.Year 2014 _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 Lucia Banci . . . 19872 1 2 Diego Brancaccio . . . 19872 1 3 Simone Ciofi-Baffoni . . . 19872 1 4 Rebecca 'Del Conte' . . . 19872 1 5 Ravisekhar Gadepalli . . . 19872 1 6 Maciej Mikolajczyk . . . 19872 1 7 Sara Neri . . . 19872 1 8 Mario Piccioli . . . 19872 1 9 Julia Winkelmann . . . 19872 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19872 _Assembly.ID 1 _Assembly.Name 'apo form of human glutaredoxin 5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'apo glutaredoxin 5' 1 $entity A . yes native no no . . . 19872 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19872 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSFTMGAGGGGSAEQLDALV KKDKVVVFLKGTPEQPQCGF SNAVVQILRLHGVRDYAAYN VLDDPELRQGIKDYSNWPTI PQVYLNGEFVGGCDILLQMH QNGDLVEELKKLGIHSALLD E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The first 5 non-native residues (GSFTM) are numbered 1-5 while with the residue 6 (G) the numbering starts with 35 according to the native sequence. ; _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native cloning artefact.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13171.006 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MMZ . "Solution Structure Of The Apo Form Of Human Glutaredoxin 5" . . . . . 100.00 121 100.00 100.00 4.69e-82 . . . . 19872 1 2 no PDB 2WUL . "Crystal Structure Of The Human Glutaredoxin 5 With Bound Glutathione In An Fes Cluster" . . . . . 97.52 118 99.15 100.00 5.26e-79 . . . . 19872 1 3 no DBJ BAF02301 . "glutaredoxin 5 homolog [Homo sapiens]" . . . . . 95.87 157 100.00 100.00 1.25e-77 . . . . 19872 1 4 no EMBL CAD62364 . "unnamed protein product [Homo sapiens]" . . . . . 95.87 176 100.00 100.00 7.99e-78 . . . . 19872 1 5 no GB AAH23528 . "Glutaredoxin 5 [Homo sapiens]" . . . . . 95.87 157 99.14 99.14 4.54e-77 . . . . 19872 1 6 no GB AAH47680 . "Glutaredoxin 5 [Homo sapiens]" . . . . . 95.87 157 100.00 100.00 1.25e-77 . . . . 19872 1 7 no GB AAZ30731 . "glutaredoxin 5 [Homo sapiens]" . . . . . 95.87 157 99.14 99.14 4.54e-77 . . . . 19872 1 8 no GB EAW81607 . "glutaredoxin 5 homolog (S. cerevisiae), isoform CRA_b [Homo sapiens]" . . . . . 95.87 157 100.00 100.00 1.25e-77 . . . . 19872 1 9 no GB EDL18773 . "glutaredoxin 5 homolog (S. cerevisiae), isoform CRA_a, partial [Mus musculus]" . . . . . 57.85 137 97.14 98.57 2.66e-41 . . . . 19872 1 10 no REF NP_001252564 . "glutaredoxin-related protein 5, mitochondrial [Macaca mulatta]" . . . . . 95.87 157 100.00 100.00 1.10e-77 . . . . 19872 1 11 no REF NP_057501 . "glutaredoxin-related protein 5, mitochondrial precursor [Homo sapiens]" . . . . . 95.87 157 100.00 100.00 1.25e-77 . . . . 19872 1 12 no REF XP_001154482 . "PREDICTED: glutaredoxin-related protein 5, mitochondrial [Pan troglodytes]" . . . . . 95.87 157 100.00 100.00 1.25e-77 . . . . 19872 1 13 no REF XP_002754322 . "PREDICTED: glutaredoxin-related protein 5, mitochondrial [Callithrix jacchus]" . . . . . 95.87 157 100.00 100.00 9.86e-78 . . . . 19872 1 14 no REF XP_002825117 . "PREDICTED: glutaredoxin-related protein 5, mitochondrial [Pongo abelii]" . . . . . 95.87 157 100.00 100.00 6.66e-78 . . . . 19872 1 15 no SP Q86SX6 . "RecName: Full=Glutaredoxin-related protein 5, mitochondrial; AltName: Full=Monothiol glutaredoxin-5; Flags: Precursor" . . . . . 95.87 157 100.00 100.00 1.25e-77 . . . . 19872 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19872 1 2 2 SER . 19872 1 3 3 PHE . 19872 1 4 4 THR . 19872 1 5 5 MET . 19872 1 6 35 GLY . 19872 1 7 36 ALA . 19872 1 8 37 GLY . 19872 1 9 38 GLY . 19872 1 10 39 GLY . 19872 1 11 40 GLY . 19872 1 12 41 SER . 19872 1 13 42 ALA . 19872 1 14 43 GLU . 19872 1 15 44 GLN . 19872 1 16 45 LEU . 19872 1 17 46 ASP . 19872 1 18 47 ALA . 19872 1 19 48 LEU . 19872 1 20 49 VAL . 19872 1 21 50 LYS . 19872 1 22 51 LYS . 19872 1 23 52 ASP . 19872 1 24 53 LYS . 19872 1 25 54 VAL . 19872 1 26 55 VAL . 19872 1 27 56 VAL . 19872 1 28 57 PHE . 19872 1 29 58 LEU . 19872 1 30 59 LYS . 19872 1 31 60 GLY . 19872 1 32 61 THR . 19872 1 33 62 PRO . 19872 1 34 63 GLU . 19872 1 35 64 GLN . 19872 1 36 65 PRO . 19872 1 37 66 GLN . 19872 1 38 67 CYS . 19872 1 39 68 GLY . 19872 1 40 69 PHE . 19872 1 41 70 SER . 19872 1 42 71 ASN . 19872 1 43 72 ALA . 19872 1 44 73 VAL . 19872 1 45 74 VAL . 19872 1 46 75 GLN . 19872 1 47 76 ILE . 19872 1 48 77 LEU . 19872 1 49 78 ARG . 19872 1 50 79 LEU . 19872 1 51 80 HIS . 19872 1 52 81 GLY . 19872 1 53 82 VAL . 19872 1 54 83 ARG . 19872 1 55 84 ASP . 19872 1 56 85 TYR . 19872 1 57 86 ALA . 19872 1 58 87 ALA . 19872 1 59 88 TYR . 19872 1 60 89 ASN . 19872 1 61 90 VAL . 19872 1 62 91 LEU . 19872 1 63 92 ASP . 19872 1 64 93 ASP . 19872 1 65 94 PRO . 19872 1 66 95 GLU . 19872 1 67 96 LEU . 19872 1 68 97 ARG . 19872 1 69 98 GLN . 19872 1 70 99 GLY . 19872 1 71 100 ILE . 19872 1 72 101 LYS . 19872 1 73 102 ASP . 19872 1 74 103 TYR . 19872 1 75 104 SER . 19872 1 76 105 ASN . 19872 1 77 106 TRP . 19872 1 78 107 PRO . 19872 1 79 108 THR . 19872 1 80 109 ILE . 19872 1 81 110 PRO . 19872 1 82 111 GLN . 19872 1 83 112 VAL . 19872 1 84 113 TYR . 19872 1 85 114 LEU . 19872 1 86 115 ASN . 19872 1 87 116 GLY . 19872 1 88 117 GLU . 19872 1 89 118 PHE . 19872 1 90 119 VAL . 19872 1 91 120 GLY . 19872 1 92 121 GLY . 19872 1 93 122 CYS . 19872 1 94 123 ASP . 19872 1 95 124 ILE . 19872 1 96 125 LEU . 19872 1 97 126 LEU . 19872 1 98 127 GLN . 19872 1 99 128 MET . 19872 1 100 129 HIS . 19872 1 101 130 GLN . 19872 1 102 131 ASN . 19872 1 103 132 GLY . 19872 1 104 133 ASP . 19872 1 105 134 LEU . 19872 1 106 135 VAL . 19872 1 107 136 GLU . 19872 1 108 137 GLU . 19872 1 109 138 LEU . 19872 1 110 139 LYS . 19872 1 111 140 LYS . 19872 1 112 141 LEU . 19872 1 113 142 GLY . 19872 1 114 143 ILE . 19872 1 115 144 HIS . 19872 1 116 145 SER . 19872 1 117 146 ALA . 19872 1 118 147 LEU . 19872 1 119 148 LEU . 19872 1 120 149 ASP . 19872 1 121 150 GLU . 19872 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 19872 1 . SER 2 2 19872 1 . PHE 3 3 19872 1 . THR 4 4 19872 1 . MET 5 5 19872 1 . GLY 6 6 19872 1 . ALA 7 7 19872 1 . GLY 8 8 19872 1 . GLY 9 9 19872 1 . GLY 10 10 19872 1 . GLY 11 11 19872 1 . SER 12 12 19872 1 . ALA 13 13 19872 1 . GLU 14 14 19872 1 . GLN 15 15 19872 1 . LEU 16 16 19872 1 . ASP 17 17 19872 1 . ALA 18 18 19872 1 . LEU 19 19 19872 1 . VAL 20 20 19872 1 . LYS 21 21 19872 1 . LYS 22 22 19872 1 . ASP 23 23 19872 1 . LYS 24 24 19872 1 . VAL 25 25 19872 1 . VAL 26 26 19872 1 . VAL 27 27 19872 1 . PHE 28 28 19872 1 . LEU 29 29 19872 1 . LYS 30 30 19872 1 . GLY 31 31 19872 1 . THR 32 32 19872 1 . PRO 33 33 19872 1 . GLU 34 34 19872 1 . GLN 35 35 19872 1 . PRO 36 36 19872 1 . GLN 37 37 19872 1 . CYS 38 38 19872 1 . GLY 39 39 19872 1 . PHE 40 40 19872 1 . SER 41 41 19872 1 . ASN 42 42 19872 1 . ALA 43 43 19872 1 . VAL 44 44 19872 1 . VAL 45 45 19872 1 . GLN 46 46 19872 1 . ILE 47 47 19872 1 . LEU 48 48 19872 1 . ARG 49 49 19872 1 . LEU 50 50 19872 1 . HIS 51 51 19872 1 . GLY 52 52 19872 1 . VAL 53 53 19872 1 . ARG 54 54 19872 1 . ASP 55 55 19872 1 . TYR 56 56 19872 1 . ALA 57 57 19872 1 . ALA 58 58 19872 1 . TYR 59 59 19872 1 . ASN 60 60 19872 1 . VAL 61 61 19872 1 . LEU 62 62 19872 1 . ASP 63 63 19872 1 . ASP 64 64 19872 1 . PRO 65 65 19872 1 . GLU 66 66 19872 1 . LEU 67 67 19872 1 . ARG 68 68 19872 1 . GLN 69 69 19872 1 . GLY 70 70 19872 1 . ILE 71 71 19872 1 . LYS 72 72 19872 1 . ASP 73 73 19872 1 . TYR 74 74 19872 1 . SER 75 75 19872 1 . ASN 76 76 19872 1 . TRP 77 77 19872 1 . PRO 78 78 19872 1 . THR 79 79 19872 1 . ILE 80 80 19872 1 . PRO 81 81 19872 1 . GLN 82 82 19872 1 . VAL 83 83 19872 1 . TYR 84 84 19872 1 . LEU 85 85 19872 1 . ASN 86 86 19872 1 . GLY 87 87 19872 1 . GLU 88 88 19872 1 . PHE 89 89 19872 1 . VAL 90 90 19872 1 . GLY 91 91 19872 1 . GLY 92 92 19872 1 . CYS 93 93 19872 1 . ASP 94 94 19872 1 . ILE 95 95 19872 1 . LEU 96 96 19872 1 . LEU 97 97 19872 1 . GLN 98 98 19872 1 . MET 99 99 19872 1 . HIS 100 100 19872 1 . GLN 101 101 19872 1 . ASN 102 102 19872 1 . GLY 103 103 19872 1 . ASP 104 104 19872 1 . LEU 105 105 19872 1 . VAL 106 106 19872 1 . GLU 107 107 19872 1 . GLU 108 108 19872 1 . LEU 109 109 19872 1 . LYS 110 110 19872 1 . LYS 111 111 19872 1 . LEU 112 112 19872 1 . GLY 113 113 19872 1 . ILE 114 114 19872 1 . HIS 115 115 19872 1 . SER 116 116 19872 1 . ALA 117 117 19872 1 . LEU 118 118 19872 1 . LEU 119 119 19872 1 . ASP 120 120 19872 1 . GLU 121 121 19872 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 19872 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19872 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 19872 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)GOLD . . . . . pETG-20A . . . 19872 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19872 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'apo glutaredoxin 5' '[U-100% 15N]' . . 1 $entity . . . 0.5 1 mM . . . . 19872 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19872 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19872 1 4 GSH 'natural abundance' . . . . . . 5 . . mM . . . . 19872 1 5 D2O 'natural abundance' . . . . . . 90 . . % . . . . 19872 1 6 H2O 'natural abundance' . . . . . . 10 . . % . . . . 19872 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19872 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'apo glutaredoxin 5' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.5 1 mM . . . . 19872 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19872 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19872 2 4 GSH 'natural abundance' . . . . . . 5 . . mM . . . . 19872 2 5 D2O 'natural abundance' . . . . . . 90 . . % . . . . 19872 2 6 H2O 'natural abundance' . . . . . . 10 . . % . . . . 19872 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19872 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 19872 1 pH 7 . pH 19872 1 pressure 1 . atm 19872 1 temperature 298 . K 19872 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19872 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19872 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19872 1 processing 19872 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19872 _Software.ID 2 _Software.Name CARA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19872 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19872 2 stop_ save_ save_ATNOS _Software.Sf_category software _Software.Sf_framecode ATNOS _Software.Entry_ID 19872 _Software.ID 3 _Software.Name ATNOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19872 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19872 3 stop_ save_ save_CANDID _Software.Sf_category software _Software.Sf_framecode CANDID _Software.Entry_ID 19872 _Software.ID 4 _Software.Name CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19872 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automatic noes assignment' 19872 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19872 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19872 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'backbone torsion angle calculation' 19872 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19872 _Software.ID 6 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19872 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19872 6 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19872 _Software.ID 7 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19872 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19872 7 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19872 _Software.ID 8 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19872 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19872 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19872 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 19872 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19872 9 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 19872 _Software.ID 10 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vuister, Sousa da Silva, and Doreleijers' . . 19872 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19872 10 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 19872 _Software.ID 11 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 19872 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19872 11 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19872 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19872 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19872 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19872 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19872 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 19872 1 2 spectrometer_2 Bruker Avance . 700 . . . 19872 1 3 spectrometer_3 Bruker Avance . 800 . . . 19872 1 4 spectrometer_4 Bruker Avance . 900 . . . 19872 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 19872 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19872 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19872 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19872 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19872 1 13 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19872 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19872 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19872 1 H 1 DSS 'methyl protons' . . . . ppm 0.8 external indirect 1 . . . . . . . . . 19872 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19872 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19872 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19872 1 3 '3D HCCH-TOCSY' . . . 19872 1 4 '2D 1H-1H NOESY' . . . 19872 1 8 '3D HNCACB' . . . 19872 1 11 '3D 1H-15N NOESY' . . . 19872 1 12 '3D 1H-13C NOESY aliphatic' . . . 19872 1 13 '3D HN(CA)CO' . . . 19872 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.36 0.02 . 1 . . . A 2 SER HA . 19872 1 2 . 1 1 2 2 SER HB2 H 1 3.65 0.02 . 1 . . . A 2 SER HB2 . 19872 1 3 . 1 1 2 2 SER C C 13 173.8 0.3 . 1 . . . A 2 SER C . 19872 1 4 . 1 1 2 2 SER CA C 13 58.0 0.3 . 1 . . . A 2 SER CA . 19872 1 5 . 1 1 2 2 SER CB C 13 63.1 0.3 . 1 . . . A 2 SER CB . 19872 1 6 . 1 1 3 3 PHE HA H 1 4.61 0.02 . 1 . . . A 3 PHE HA . 19872 1 7 . 1 1 3 3 PHE HB2 H 1 3.01 0.02 . 2 . . . A 3 PHE HB2 . 19872 1 8 . 1 1 3 3 PHE HB3 H 1 2.92 0.02 . 2 . . . A 3 PHE HB3 . 19872 1 9 . 1 1 3 3 PHE HD2 H 1 7.11 0.02 . 1 . . . A 3 PHE HD2 . 19872 1 10 . 1 1 3 3 PHE HE2 H 1 7.18 0.02 . 1 . . . A 3 PHE HE2 . 19872 1 11 . 1 1 3 3 PHE C C 13 175.3 0.3 . 1 . . . A 3 PHE C . 19872 1 12 . 1 1 3 3 PHE CA C 13 57.3 0.3 . 1 . . . A 3 PHE CA . 19872 1 13 . 1 1 3 3 PHE CB C 13 39.3 0.3 . 1 . . . A 3 PHE CB . 19872 1 14 . 1 1 3 3 PHE N N 15 122.0 0.3 . 1 . . . A 3 PHE N . 19872 1 15 . 1 1 4 4 THR HA H 1 4.18 0.02 . 1 . . . A 4 THR HA . 19872 1 16 . 1 1 4 4 THR HB H 1 3.99 0.02 . 1 . . . A 4 THR HB . 19872 1 17 . 1 1 4 4 THR HG21 H 1 1.02 0.02 . 1 . . . A 4 THR HG21 . 19872 1 18 . 1 1 4 4 THR HG22 H 1 1.02 0.02 . 1 . . . A 4 THR HG22 . 19872 1 19 . 1 1 4 4 THR HG23 H 1 1.02 0.02 . 1 . . . A 4 THR HG23 . 19872 1 20 . 1 1 4 4 THR C C 13 173.8 0.3 . 1 . . . A 4 THR C . 19872 1 21 . 1 1 4 4 THR CA C 13 61.0 0.3 . 1 . . . A 4 THR CA . 19872 1 22 . 1 1 4 4 THR CB C 13 69.3 0.3 . 1 . . . A 4 THR CB . 19872 1 23 . 1 1 4 4 THR CG2 C 13 20.8 0.3 . 1 . . . A 4 THR CG2 . 19872 1 24 . 1 1 4 4 THR N N 15 116.9 0.3 . 1 . . . A 4 THR N . 19872 1 25 . 1 1 5 5 MET HA H 1 4.30 0.02 . 1 . . . A 5 MET HA . 19872 1 26 . 1 1 5 5 MET HB2 H 1 2.43 0.02 . 2 . . . A 5 MET HB2 . 19872 1 27 . 1 1 5 5 MET HB3 H 1 1.89 0.02 . 2 . . . A 5 MET HB3 . 19872 1 28 . 1 1 5 5 MET HG2 H 1 2.42 0.02 . 2 . . . A 5 MET HG2 . 19872 1 29 . 1 1 5 5 MET HG3 H 1 1.88 0.02 . 2 . . . A 5 MET HG3 . 19872 1 30 . 1 1 5 5 MET HE1 H 1 1.95 0.02 . 1 . . . A 5 MET HE1 . 19872 1 31 . 1 1 5 5 MET HE2 H 1 1.95 0.02 . 1 . . . A 5 MET HE2 . 19872 1 32 . 1 1 5 5 MET HE3 H 1 1.95 0.02 . 1 . . . A 5 MET HE3 . 19872 1 33 . 1 1 5 5 MET C C 13 176.4 0.3 . 1 . . . A 5 MET C . 19872 1 34 . 1 1 5 5 MET CA C 13 55.1 0.3 . 1 . . . A 5 MET CA . 19872 1 35 . 1 1 5 5 MET CB C 13 31.8 0.3 . 1 . . . A 5 MET CB . 19872 1 36 . 1 1 5 5 MET CG C 13 31.9 0.3 . 1 . . . A 5 MET CG . 19872 1 37 . 1 1 5 5 MET CE C 13 16.5 0.3 . 1 . . . A 5 MET CE . 19872 1 38 . 1 1 5 5 MET N N 15 123.1 0.3 . 1 . . . A 5 MET N . 19872 1 39 . 1 1 6 6 GLY HA2 H 1 3.82 0.02 . 1 . . . A 35 GLY HA2 . 19872 1 40 . 1 1 6 6 GLY C C 13 173.7 0.3 . 1 . . . A 35 GLY C . 19872 1 41 . 1 1 6 6 GLY CA C 13 44.9 0.3 . 1 . . . A 35 GLY CA . 19872 1 42 . 1 1 6 6 GLY N N 15 110.2 0.3 . 1 . . . A 35 GLY N . 19872 1 43 . 1 1 7 7 ALA HA H 1 4.23 0.02 . 1 . . . A 36 ALA HA . 19872 1 44 . 1 1 7 7 ALA HB1 H 1 1.27 0.02 . 1 . . . A 36 ALA HB1 . 19872 1 45 . 1 1 7 7 ALA HB2 H 1 1.27 0.02 . 1 . . . A 36 ALA HB2 . 19872 1 46 . 1 1 7 7 ALA HB3 H 1 1.27 0.02 . 1 . . . A 36 ALA HB3 . 19872 1 47 . 1 1 7 7 ALA C C 13 178.1 0.3 . 1 . . . A 36 ALA C . 19872 1 48 . 1 1 7 7 ALA CA C 13 52.0 0.3 . 1 . . . A 36 ALA CA . 19872 1 49 . 1 1 7 7 ALA CB C 13 18.7 0.3 . 1 . . . A 36 ALA CB . 19872 1 50 . 1 1 7 7 ALA N N 15 123.6 0.3 . 1 . . . A 36 ALA N . 19872 1 51 . 1 1 8 8 GLY HA2 H 1 3.82 0.02 . 1 . . . A 37 GLY HA2 . 19872 1 52 . 1 1 8 8 GLY C C 13 174.5 0.3 . 1 . . . A 37 GLY C . 19872 1 53 . 1 1 8 8 GLY CA C 13 44.8 0.3 . 1 . . . A 37 GLY CA . 19872 1 54 . 1 1 8 8 GLY N N 15 108.2 0.3 . 1 . . . A 37 GLY N . 19872 1 55 . 1 1 9 9 GLY HA2 H 1 3.86 0.02 . 1 . . . A 38 GLY HA2 . 19872 1 56 . 1 1 9 9 GLY C C 13 174.5 0.3 . 1 . . . A 38 GLY C . 19872 1 57 . 1 1 9 9 GLY CA C 13 44.7 0.3 . 1 . . . A 38 GLY CA . 19872 1 58 . 1 1 9 9 GLY N N 15 108.2 0.3 . 1 . . . A 38 GLY N . 19872 1 59 . 1 1 10 10 GLY HA2 H 1 3.82 0.02 . 1 . . . A 39 GLY HA2 . 19872 1 60 . 1 1 10 10 GLY C C 13 174.1 0.3 . 1 . . . A 39 GLY C . 19872 1 61 . 1 1 10 10 GLY CA C 13 44.8 0.3 . 1 . . . A 39 GLY CA . 19872 1 62 . 1 1 10 10 GLY N N 15 108.6 0.3 . 1 . . . A 39 GLY N . 19872 1 63 . 1 1 11 11 GLY HA2 H 1 3.77 0.02 . 1 . . . A 40 GLY HA2 . 19872 1 64 . 1 1 11 11 GLY C C 13 174.1 0.3 . 1 . . . A 40 GLY C . 19872 1 65 . 1 1 11 11 GLY CA C 13 44.7 0.3 . 1 . . . A 40 GLY CA . 19872 1 66 . 1 1 11 11 GLY N N 15 107.7 0.3 . 1 . . . A 40 GLY N . 19872 1 67 . 1 1 12 12 SER HA H 1 4.22 0.02 . 1 . . . A 41 SER HA . 19872 1 68 . 1 1 12 12 SER HB2 H 1 3.89 0.02 . 2 . . . A 41 SER HB2 . 19872 1 69 . 1 1 12 12 SER HB3 H 1 3.80 0.02 . 2 . . . A 41 SER HB3 . 19872 1 70 . 1 1 12 12 SER C C 13 174.8 0.3 . 1 . . . A 41 SER C . 19872 1 71 . 1 1 12 12 SER CA C 13 58.4 0.3 . 1 . . . A 41 SER CA . 19872 1 72 . 1 1 12 12 SER CB C 13 63.1 0.3 . 1 . . . A 41 SER CB . 19872 1 73 . 1 1 12 12 SER N N 15 115.7 0.3 . 1 . . . A 41 SER N . 19872 1 74 . 1 1 13 13 ALA HA H 1 3.95 0.02 . 1 . . . A 42 ALA HA . 19872 1 75 . 1 1 13 13 ALA HB1 H 1 1.40 0.02 . 1 . . . A 42 ALA HB1 . 19872 1 76 . 1 1 13 13 ALA HB2 H 1 1.40 0.02 . 1 . . . A 42 ALA HB2 . 19872 1 77 . 1 1 13 13 ALA HB3 H 1 1.40 0.02 . 1 . . . A 42 ALA HB3 . 19872 1 78 . 1 1 13 13 ALA C C 13 178.8 0.3 . 1 . . . A 42 ALA C . 19872 1 79 . 1 1 13 13 ALA CA C 13 54.7 0.3 . 1 . . . A 42 ALA CA . 19872 1 80 . 1 1 13 13 ALA CB C 13 17.7 0.3 . 1 . . . A 42 ALA CB . 19872 1 81 . 1 1 13 13 ALA N N 15 124.7 0.3 . 1 . . . A 42 ALA N . 19872 1 82 . 1 1 14 14 GLU HA H 1 3.95 0.02 . 1 . . . A 43 GLU HA . 19872 1 83 . 1 1 14 14 GLU HB2 H 1 1.85 0.02 . 1 . . . A 43 GLU HB2 . 19872 1 84 . 1 1 14 14 GLU HG2 H 1 2.21 0.02 . 1 . . . A 43 GLU HG2 . 19872 1 85 . 1 1 14 14 GLU C C 13 178.8 0.3 . 1 . . . A 43 GLU C . 19872 1 86 . 1 1 14 14 GLU CA C 13 58.5 0.3 . 1 . . . A 43 GLU CA . 19872 1 87 . 1 1 14 14 GLU CB C 13 28.6 0.3 . 1 . . . A 43 GLU CB . 19872 1 88 . 1 1 14 14 GLU CG C 13 36.2 0.3 . 1 . . . A 43 GLU CG . 19872 1 89 . 1 1 14 14 GLU N N 15 116.7 0.3 . 1 . . . A 43 GLU N . 19872 1 90 . 1 1 15 15 GLN HA H 1 3.97 0.02 . 1 . . . A 44 GLN HA . 19872 1 91 . 1 1 15 15 GLN HB2 H 1 1.93 0.02 . 1 . . . A 44 GLN HB2 . 19872 1 92 . 1 1 15 15 GLN HG2 H 1 2.22 0.02 . 2 . . . A 44 GLN HG2 . 19872 1 93 . 1 1 15 15 GLN HG3 H 1 2.13 0.02 . 2 . . . A 44 GLN HG3 . 19872 1 94 . 1 1 15 15 GLN HE21 H 1 7.24 0.02 . 1 . . . A 44 GLN HE21 . 19872 1 95 . 1 1 15 15 GLN HE22 H 1 6.72 0.02 . 1 . . . A 44 GLN HE22 . 19872 1 96 . 1 1 15 15 GLN C C 13 178.2 0.3 . 1 . . . A 44 GLN C . 19872 1 97 . 1 1 15 15 GLN CA C 13 57.6 0.3 . 1 . . . A 44 GLN CA . 19872 1 98 . 1 1 15 15 GLN CB C 13 28.1 0.3 . 1 . . . A 44 GLN CB . 19872 1 99 . 1 1 15 15 GLN CG C 13 33.4 0.3 . 1 . . . A 44 GLN CG . 19872 1 100 . 1 1 15 15 GLN N N 15 119.4 0.3 . 1 . . . A 44 GLN N . 19872 1 101 . 1 1 16 16 LEU HA H 1 3.57 0.02 . 1 . . . A 45 LEU HA . 19872 1 102 . 1 1 16 16 LEU HB2 H 1 1.13 0.02 . 2 . . . A 45 LEU HB2 . 19872 1 103 . 1 1 16 16 LEU HB3 H 1 0.35 0.02 . 2 . . . A 45 LEU HB3 . 19872 1 104 . 1 1 16 16 LEU HG H 1 1.25 0.02 . 1 . . . A 45 LEU HG . 19872 1 105 . 1 1 16 16 LEU HD11 H 1 0.32 0.02 . 1 . . . A 45 LEU HD11 . 19872 1 106 . 1 1 16 16 LEU HD12 H 1 0.32 0.02 . 1 . . . A 45 LEU HD12 . 19872 1 107 . 1 1 16 16 LEU HD13 H 1 0.32 0.02 . 1 . . . A 45 LEU HD13 . 19872 1 108 . 1 1 16 16 LEU HD21 H 1 0.36 0.02 . 1 . . . A 45 LEU HD21 . 19872 1 109 . 1 1 16 16 LEU HD22 H 1 0.36 0.02 . 1 . . . A 45 LEU HD22 . 19872 1 110 . 1 1 16 16 LEU HD23 H 1 0.36 0.02 . 1 . . . A 45 LEU HD23 . 19872 1 111 . 1 1 16 16 LEU C C 13 177.3 0.3 . 1 . . . A 45 LEU C . 19872 1 112 . 1 1 16 16 LEU CA C 13 56.5 0.3 . 1 . . . A 45 LEU CA . 19872 1 113 . 1 1 16 16 LEU CB C 13 39.5 0.3 . 1 . . . A 45 LEU CB . 19872 1 114 . 1 1 16 16 LEU CG C 13 26.7 0.3 . 1 . . . A 45 LEU CG . 19872 1 115 . 1 1 16 16 LEU CD1 C 13 24.9 0.3 . 1 . . . A 45 LEU CD1 . 19872 1 116 . 1 1 16 16 LEU CD2 C 13 22.8 0.3 . 1 . . . A 45 LEU CD2 . 19872 1 117 . 1 1 16 16 LEU N N 15 121.7 0.3 . 1 . . . A 45 LEU N . 19872 1 118 . 1 1 17 17 ASP HA H 1 4.03 0.02 . 1 . . . A 46 ASP HA . 19872 1 119 . 1 1 17 17 ASP HB2 H 1 2.80 0.02 . 2 . . . A 46 ASP HB2 . 19872 1 120 . 1 1 17 17 ASP HB3 H 1 2.48 0.02 . 2 . . . A 46 ASP HB3 . 19872 1 121 . 1 1 17 17 ASP C C 13 176.8 0.3 . 1 . . . A 46 ASP C . 19872 1 122 . 1 1 17 17 ASP CA C 13 56.6 0.3 . 1 . . . A 46 ASP CA . 19872 1 123 . 1 1 17 17 ASP CB C 13 41.6 0.3 . 1 . . . A 46 ASP CB . 19872 1 124 . 1 1 17 17 ASP N N 15 118.0 0.3 . 1 . . . A 46 ASP N . 19872 1 125 . 1 1 18 18 ALA HA H 1 3.89 0.02 . 1 . . . A 47 ALA HA . 19872 1 126 . 1 1 18 18 ALA HB1 H 1 1.31 0.02 . 1 . . . A 47 ALA HB1 . 19872 1 127 . 1 1 18 18 ALA HB2 H 1 1.31 0.02 . 1 . . . A 47 ALA HB2 . 19872 1 128 . 1 1 18 18 ALA HB3 H 1 1.31 0.02 . 1 . . . A 47 ALA HB3 . 19872 1 129 . 1 1 18 18 ALA C C 13 180.3 0.3 . 1 . . . A 47 ALA C . 19872 1 130 . 1 1 18 18 ALA CA C 13 54.0 0.3 . 1 . . . A 47 ALA CA . 19872 1 131 . 1 1 18 18 ALA CB C 13 17.4 0.3 . 1 . . . A 47 ALA CB . 19872 1 132 . 1 1 18 18 ALA N N 15 116.1 0.3 . 1 . . . A 47 ALA N . 19872 1 133 . 1 1 19 19 LEU HA H 1 3.84 0.02 . 1 . . . A 48 LEU HA . 19872 1 134 . 1 1 19 19 LEU HB2 H 1 1.58 0.02 . 2 . . . A 48 LEU HB2 . 19872 1 135 . 1 1 19 19 LEU HB3 H 1 1.25 0.02 . 2 . . . A 48 LEU HB3 . 19872 1 136 . 1 1 19 19 LEU HG H 1 1.46 0.02 . 1 . . . A 48 LEU HG . 19872 1 137 . 1 1 19 19 LEU HD21 H 1 0.32 0.02 . 1 . . . A 48 LEU HD21 . 19872 1 138 . 1 1 19 19 LEU HD22 H 1 0.32 0.02 . 1 . . . A 48 LEU HD22 . 19872 1 139 . 1 1 19 19 LEU HD23 H 1 0.32 0.02 . 1 . . . A 48 LEU HD23 . 19872 1 140 . 1 1 19 19 LEU C C 13 180.1 0.3 . 1 . . . A 48 LEU C . 19872 1 141 . 1 1 19 19 LEU CA C 13 57.4 0.3 . 1 . . . A 48 LEU CA . 19872 1 142 . 1 1 19 19 LEU CB C 13 41.9 0.3 . 1 . . . A 48 LEU CB . 19872 1 143 . 1 1 19 19 LEU CG C 13 25.8 0.3 . 1 . . . A 48 LEU CG . 19872 1 144 . 1 1 19 19 LEU CD1 C 13 24.0 0.3 . 1 . . . A 48 LEU CD1 . 19872 1 145 . 1 1 19 19 LEU CD2 C 13 22.7 0.3 . 1 . . . A 48 LEU CD2 . 19872 1 146 . 1 1 19 19 LEU N N 15 117.8 0.3 . 1 . . . A 48 LEU N . 19872 1 147 . 1 1 20 20 VAL HA H 1 3.88 0.02 . 1 . . . A 49 VAL HA . 19872 1 148 . 1 1 20 20 VAL HB H 1 1.79 0.02 . 1 . . . A 49 VAL HB . 19872 1 149 . 1 1 20 20 VAL HG11 H 1 0.22 0.02 . 1 . . . A 49 VAL HG11 . 19872 1 150 . 1 1 20 20 VAL HG12 H 1 0.22 0.02 . 1 . . . A 49 VAL HG12 . 19872 1 151 . 1 1 20 20 VAL HG13 H 1 0.22 0.02 . 1 . . . A 49 VAL HG13 . 19872 1 152 . 1 1 20 20 VAL HG21 H 1 0.72 0.02 . 1 . . . A 49 VAL HG21 . 19872 1 153 . 1 1 20 20 VAL HG22 H 1 0.72 0.02 . 1 . . . A 49 VAL HG22 . 19872 1 154 . 1 1 20 20 VAL HG23 H 1 0.72 0.02 . 1 . . . A 49 VAL HG23 . 19872 1 155 . 1 1 20 20 VAL C C 13 176.0 0.3 . 1 . . . A 49 VAL C . 19872 1 156 . 1 1 20 20 VAL CA C 13 64.2 0.3 . 1 . . . A 49 VAL CA . 19872 1 157 . 1 1 20 20 VAL CB C 13 31.0 0.3 . 1 . . . A 49 VAL CB . 19872 1 158 . 1 1 20 20 VAL CG1 C 13 20.2 0.3 . 1 . . . A 49 VAL CG1 . 19872 1 159 . 1 1 20 20 VAL CG2 C 13 19.0 0.3 . 1 . . . A 49 VAL CG2 . 19872 1 160 . 1 1 20 20 VAL N N 15 112.1 0.3 . 1 . . . A 49 VAL N . 19872 1 161 . 1 1 21 21 LYS HA H 1 4.16 0.02 . 1 . . . A 50 LYS HA . 19872 1 162 . 1 1 21 21 LYS HB2 H 1 1.80 0.02 . 2 . . . A 50 LYS HB2 . 19872 1 163 . 1 1 21 21 LYS HB3 H 1 1.59 0.02 . 2 . . . A 50 LYS HB3 . 19872 1 164 . 1 1 21 21 LYS HG2 H 1 1.36 0.02 . 1 . . . A 50 LYS HG2 . 19872 1 165 . 1 1 21 21 LYS HD2 H 1 1.52 0.02 . 2 . . . A 50 LYS HD2 . 19872 1 166 . 1 1 21 21 LYS HD3 H 1 1.45 0.02 . 2 . . . A 50 LYS HD3 . 19872 1 167 . 1 1 21 21 LYS HE2 H 1 2.92 0.02 . 2 . . . A 50 LYS HE2 . 19872 1 168 . 1 1 21 21 LYS HE3 H 1 2.86 0.02 . 2 . . . A 50 LYS HE3 . 19872 1 169 . 1 1 21 21 LYS C C 13 177.9 0.3 . 1 . . . A 50 LYS C . 19872 1 170 . 1 1 21 21 LYS CA C 13 56.2 0.3 . 1 . . . A 50 LYS CA . 19872 1 171 . 1 1 21 21 LYS CB C 13 32.4 0.3 . 1 . . . A 50 LYS CB . 19872 1 172 . 1 1 21 21 LYS CG C 13 26.5 0.3 . 1 . . . A 50 LYS CG . 19872 1 173 . 1 1 21 21 LYS CD C 13 28.7 0.3 . 1 . . . A 50 LYS CD . 19872 1 174 . 1 1 21 21 LYS CE C 13 42.0 0.3 . 1 . . . A 50 LYS CE . 19872 1 175 . 1 1 21 21 LYS N N 15 115.4 0.3 . 1 . . . A 50 LYS N . 19872 1 176 . 1 1 22 22 LYS HA H 1 3.92 0.02 . 1 . . . A 51 LYS HA . 19872 1 177 . 1 1 22 22 LYS HB2 H 1 1.87 0.02 . 2 . . . A 51 LYS HB2 . 19872 1 178 . 1 1 22 22 LYS HB3 H 1 1.75 0.02 . 2 . . . A 51 LYS HB3 . 19872 1 179 . 1 1 22 22 LYS HG2 H 1 1.45 0.02 . 2 . . . A 51 LYS HG2 . 19872 1 180 . 1 1 22 22 LYS HG3 H 1 1.37 0.02 . 2 . . . A 51 LYS HG3 . 19872 1 181 . 1 1 22 22 LYS HD2 H 1 1.59 0.02 . 1 . . . A 51 LYS HD2 . 19872 1 182 . 1 1 22 22 LYS HE2 H 1 2.92 0.02 . 1 . . . A 51 LYS HE2 . 19872 1 183 . 1 1 22 22 LYS C C 13 174.7 0.3 . 1 . . . A 51 LYS C . 19872 1 184 . 1 1 22 22 LYS CA C 13 58.0 0.3 . 1 . . . A 51 LYS CA . 19872 1 185 . 1 1 22 22 LYS CB C 13 32.3 0.3 . 1 . . . A 51 LYS CB . 19872 1 186 . 1 1 22 22 LYS CG C 13 23.4 0.3 . 1 . . . A 51 LYS CG . 19872 1 187 . 1 1 22 22 LYS CD C 13 29.2 0.3 . 1 . . . A 51 LYS CD . 19872 1 188 . 1 1 22 22 LYS CE C 13 41.2 0.3 . 1 . . . A 51 LYS CE . 19872 1 189 . 1 1 22 22 LYS N N 15 119.0 0.3 . 1 . . . A 51 LYS N . 19872 1 190 . 1 1 23 23 ASP HA H 1 4.99 0.02 . 1 . . . A 52 ASP HA . 19872 1 191 . 1 1 23 23 ASP HB2 H 1 2.45 0.02 . 2 . . . A 52 ASP HB2 . 19872 1 192 . 1 1 23 23 ASP HB3 H 1 2.04 0.02 . 2 . . . A 52 ASP HB3 . 19872 1 193 . 1 1 23 23 ASP C C 13 174.4 0.3 . 1 . . . A 52 ASP C . 19872 1 194 . 1 1 23 23 ASP CA C 13 51.8 0.3 . 1 . . . A 52 ASP CA . 19872 1 195 . 1 1 23 23 ASP CB C 13 45.6 0.3 . 1 . . . A 52 ASP CB . 19872 1 196 . 1 1 23 23 ASP N N 15 113.4 0.3 . 1 . . . A 52 ASP N . 19872 1 197 . 1 1 24 24 LYS HA H 1 4.01 0.02 . 1 . . . A 53 LYS HA . 19872 1 198 . 1 1 24 24 LYS HB2 H 1 1.98 0.02 . 2 . . . A 53 LYS HB2 . 19872 1 199 . 1 1 24 24 LYS HB3 H 1 1.76 0.02 . 2 . . . A 53 LYS HB3 . 19872 1 200 . 1 1 24 24 LYS HG2 H 1 1.64 0.02 . 2 . . . A 53 LYS HG2 . 19872 1 201 . 1 1 24 24 LYS HG3 H 1 1.52 0.02 . 2 . . . A 53 LYS HG3 . 19872 1 202 . 1 1 24 24 LYS HD2 H 1 1.76 0.02 . 2 . . . A 53 LYS HD2 . 19872 1 203 . 1 1 24 24 LYS HD3 H 1 1.64 0.02 . 2 . . . A 53 LYS HD3 . 19872 1 204 . 1 1 24 24 LYS HE2 H 1 2.99 0.02 . 1 . . . A 53 LYS HE2 . 19872 1 205 . 1 1 24 24 LYS C C 13 176.1 0.3 . 1 . . . A 53 LYS C . 19872 1 206 . 1 1 24 24 LYS CA C 13 59.8 0.3 . 1 . . . A 53 LYS CA . 19872 1 207 . 1 1 24 24 LYS CB C 13 32.6 0.3 . 1 . . . A 53 LYS CB . 19872 1 208 . 1 1 24 24 LYS CG C 13 25.4 0.3 . 1 . . . A 53 LYS CG . 19872 1 209 . 1 1 24 24 LYS CD C 13 29.0 0.3 . 1 . . . A 53 LYS CD . 19872 1 210 . 1 1 24 24 LYS CE C 13 41.8 0.3 . 1 . . . A 53 LYS CE . 19872 1 211 . 1 1 24 24 LYS N N 15 119.5 0.3 . 1 . . . A 53 LYS N . 19872 1 212 . 1 1 25 25 VAL HA H 1 4.62 0.02 . 1 . . . A 54 VAL HA . 19872 1 213 . 1 1 25 25 VAL HB H 1 1.98 0.02 . 1 . . . A 54 VAL HB . 19872 1 214 . 1 1 25 25 VAL HG11 H 1 0.53 0.02 . 1 . . . A 54 VAL HG11 . 19872 1 215 . 1 1 25 25 VAL HG12 H 1 0.53 0.02 . 1 . . . A 54 VAL HG12 . 19872 1 216 . 1 1 25 25 VAL HG13 H 1 0.53 0.02 . 1 . . . A 54 VAL HG13 . 19872 1 217 . 1 1 25 25 VAL HG21 H 1 0.64 0.02 . 1 . . . A 54 VAL HG21 . 19872 1 218 . 1 1 25 25 VAL HG22 H 1 0.64 0.02 . 1 . . . A 54 VAL HG22 . 19872 1 219 . 1 1 25 25 VAL HG23 H 1 0.64 0.02 . 1 . . . A 54 VAL HG23 . 19872 1 220 . 1 1 25 25 VAL C C 13 173.7 0.3 . 1 . . . A 54 VAL C . 19872 1 221 . 1 1 25 25 VAL CA C 13 60.9 0.3 . 1 . . . A 54 VAL CA . 19872 1 222 . 1 1 25 25 VAL CB C 13 32.3 0.3 . 1 . . . A 54 VAL CB . 19872 1 223 . 1 1 25 25 VAL CG1 C 13 20.1 0.3 . 1 . . . A 54 VAL CG1 . 19872 1 224 . 1 1 25 25 VAL CG2 C 13 19.1 0.3 . 1 . . . A 54 VAL CG2 . 19872 1 225 . 1 1 25 25 VAL N N 15 117.7 0.3 . 1 . . . A 54 VAL N . 19872 1 226 . 1 1 26 26 VAL HA H 1 4.95 0.02 . 1 . . . A 55 VAL HA . 19872 1 227 . 1 1 26 26 VAL HB H 1 1.94 0.02 . 1 . . . A 55 VAL HB . 19872 1 228 . 1 1 26 26 VAL HG11 H 1 1.05 0.02 . 1 . . . A 55 VAL HG11 . 19872 1 229 . 1 1 26 26 VAL HG12 H 1 1.05 0.02 . 1 . . . A 55 VAL HG12 . 19872 1 230 . 1 1 26 26 VAL HG13 H 1 1.05 0.02 . 1 . . . A 55 VAL HG13 . 19872 1 231 . 1 1 26 26 VAL HG21 H 1 0.54 0.02 . 1 . . . A 55 VAL HG21 . 19872 1 232 . 1 1 26 26 VAL HG22 H 1 0.54 0.02 . 1 . . . A 55 VAL HG22 . 19872 1 233 . 1 1 26 26 VAL HG23 H 1 0.54 0.02 . 1 . . . A 55 VAL HG23 . 19872 1 234 . 1 1 26 26 VAL C C 13 174.4 0.3 . 1 . . . A 55 VAL C . 19872 1 235 . 1 1 26 26 VAL CA C 13 60.6 0.3 . 1 . . . A 55 VAL CA . 19872 1 236 . 1 1 26 26 VAL CB C 13 35.2 0.3 . 1 . . . A 55 VAL CB . 19872 1 237 . 1 1 26 26 VAL CG1 C 13 22.8 0.3 . 1 . . . A 55 VAL CG1 . 19872 1 238 . 1 1 26 26 VAL CG2 C 13 22.2 0.3 . 1 . . . A 55 VAL CG2 . 19872 1 239 . 1 1 26 26 VAL N N 15 127.1 0.3 . 1 . . . A 55 VAL N . 19872 1 240 . 1 1 27 27 VAL HA H 1 5.44 0.02 . 1 . . . A 56 VAL HA . 19872 1 241 . 1 1 27 27 VAL HB H 1 1.90 0.02 . 1 . . . A 56 VAL HB . 19872 1 242 . 1 1 27 27 VAL HG11 H 1 0.74 0.02 . 1 . . . A 56 VAL HG11 . 19872 1 243 . 1 1 27 27 VAL HG12 H 1 0.74 0.02 . 1 . . . A 56 VAL HG12 . 19872 1 244 . 1 1 27 27 VAL HG13 H 1 0.74 0.02 . 1 . . . A 56 VAL HG13 . 19872 1 245 . 1 1 27 27 VAL HG21 H 1 0.74 0.02 . 1 . . . A 56 VAL HG21 . 19872 1 246 . 1 1 27 27 VAL HG22 H 1 0.74 0.02 . 1 . . . A 56 VAL HG22 . 19872 1 247 . 1 1 27 27 VAL HG23 H 1 0.74 0.02 . 1 . . . A 56 VAL HG23 . 19872 1 248 . 1 1 27 27 VAL C C 13 173.4 0.3 . 1 . . . A 56 VAL C . 19872 1 249 . 1 1 27 27 VAL CA C 13 58.0 0.3 . 1 . . . A 56 VAL CA . 19872 1 250 . 1 1 27 27 VAL CB C 13 34.8 0.3 . 1 . . . A 56 VAL CB . 19872 1 251 . 1 1 27 27 VAL CG1 C 13 22.0 0.3 . 1 . . . A 56 VAL CG1 . 19872 1 252 . 1 1 27 27 VAL CG2 C 13 20.2 0.3 . 1 . . . A 56 VAL CG2 . 19872 1 253 . 1 1 27 27 VAL N N 15 119.7 0.3 . 1 . . . A 56 VAL N . 19872 1 254 . 1 1 28 28 PHE HA H 1 5.21 0.02 . 1 . . . A 57 PHE HA . 19872 1 255 . 1 1 28 28 PHE HB2 H 1 2.91 0.02 . 2 . . . A 57 PHE HB2 . 19872 1 256 . 1 1 28 28 PHE HB3 H 1 2.77 0.02 . 2 . . . A 57 PHE HB3 . 19872 1 257 . 1 1 28 28 PHE HD1 H 1 7.03 0.02 . 1 . . . A 57 PHE HD1 . 19872 1 258 . 1 1 28 28 PHE HE1 H 1 6.64 0.02 . 1 . . . A 57 PHE HE1 . 19872 1 259 . 1 1 28 28 PHE HZ H 1 6.37 0.02 . 1 . . . A 57 PHE HZ . 19872 1 260 . 1 1 28 28 PHE C C 13 174.8 0.3 . 1 . . . A 57 PHE C . 19872 1 261 . 1 1 28 28 PHE CA C 13 56.4 0.3 . 1 . . . A 57 PHE CA . 19872 1 262 . 1 1 28 28 PHE CB C 13 40.7 0.3 . 1 . . . A 57 PHE CB . 19872 1 263 . 1 1 28 28 PHE N N 15 122.4 0.3 . 1 . . . A 57 PHE N . 19872 1 264 . 1 1 29 29 LEU HA H 1 4.70 0.02 . 1 . . . A 58 LEU HA . 19872 1 265 . 1 1 29 29 LEU HB2 H 1 1.70 0.02 . 2 . . . A 58 LEU HB2 . 19872 1 266 . 1 1 29 29 LEU HB3 H 1 1.05 0.02 . 2 . . . A 58 LEU HB3 . 19872 1 267 . 1 1 29 29 LEU HG H 1 1.41 0.02 . 1 . . . A 58 LEU HG . 19872 1 268 . 1 1 29 29 LEU HD11 H 1 0.45 0.02 . 1 . . . A 58 LEU HD11 . 19872 1 269 . 1 1 29 29 LEU HD12 H 1 0.45 0.02 . 1 . . . A 58 LEU HD12 . 19872 1 270 . 1 1 29 29 LEU HD13 H 1 0.45 0.02 . 1 . . . A 58 LEU HD13 . 19872 1 271 . 1 1 29 29 LEU HD21 H 1 0.74 0.02 . 1 . . . A 58 LEU HD21 . 19872 1 272 . 1 1 29 29 LEU HD22 H 1 0.74 0.02 . 1 . . . A 58 LEU HD22 . 19872 1 273 . 1 1 29 29 LEU HD23 H 1 0.74 0.02 . 1 . . . A 58 LEU HD23 . 19872 1 274 . 1 1 29 29 LEU C C 13 175.5 0.3 . 1 . . . A 58 LEU C . 19872 1 275 . 1 1 29 29 LEU CA C 13 53.0 0.3 . 1 . . . A 58 LEU CA . 19872 1 276 . 1 1 29 29 LEU CB C 13 45.1 0.3 . 1 . . . A 58 LEU CB . 19872 1 277 . 1 1 29 29 LEU CG C 13 26.0 0.3 . 1 . . . A 58 LEU CG . 19872 1 278 . 1 1 29 29 LEU CD1 C 13 25.3 0.3 . 1 . . . A 58 LEU CD1 . 19872 1 279 . 1 1 29 29 LEU CD2 C 13 22.2 0.3 . 1 . . . A 58 LEU CD2 . 19872 1 280 . 1 1 29 29 LEU N N 15 120.5 0.3 . 1 . . . A 58 LEU N . 19872 1 281 . 1 1 30 30 LYS HA H 1 4.35 0.02 . 1 . . . A 59 LYS HA . 19872 1 282 . 1 1 30 30 LYS HB2 H 1 1.97 0.02 . 2 . . . A 59 LYS HB2 . 19872 1 283 . 1 1 30 30 LYS HB3 H 1 1.41 0.02 . 2 . . . A 59 LYS HB3 . 19872 1 284 . 1 1 30 30 LYS HG2 H 1 0.88 0.02 . 1 . . . A 59 LYS HG2 . 19872 1 285 . 1 1 30 30 LYS HD2 H 1 1.92 0.02 . 2 . . . A 59 LYS HD2 . 19872 1 286 . 1 1 30 30 LYS HD3 H 1 1.69 0.02 . 2 . . . A 59 LYS HD3 . 19872 1 287 . 1 1 30 30 LYS HE2 H 1 2.77 0.02 . 2 . . . A 59 LYS HE2 . 19872 1 288 . 1 1 30 30 LYS HE3 H 1 2.67 0.02 . 2 . . . A 59 LYS HE3 . 19872 1 289 . 1 1 30 30 LYS C C 13 175.2 0.3 . 1 . . . A 59 LYS C . 19872 1 290 . 1 1 30 30 LYS CA C 13 56.1 0.3 . 1 . . . A 59 LYS CA . 19872 1 291 . 1 1 30 30 LYS CB C 13 31.3 0.3 . 1 . . . A 59 LYS CB . 19872 1 292 . 1 1 30 30 LYS CG C 13 26.5 0.3 . 1 . . . A 59 LYS CG . 19872 1 293 . 1 1 30 30 LYS CD C 13 28.7 0.3 . 1 . . . A 59 LYS CD . 19872 1 294 . 1 1 30 30 LYS CE C 13 41.8 0.3 . 1 . . . A 59 LYS CE . 19872 1 295 . 1 1 30 30 LYS N N 15 117.8 0.3 . 1 . . . A 59 LYS N . 19872 1 296 . 1 1 31 31 GLY HA2 H 1 3.72 0.02 . 1 . . . A 60 GLY HA2 . 19872 1 297 . 1 1 31 31 GLY C C 13 170.3 0.3 . 1 . . . A 60 GLY C . 19872 1 298 . 1 1 31 31 GLY CA C 13 43.9 0.3 . 1 . . . A 60 GLY CA . 19872 1 299 . 1 1 31 31 GLY N N 15 114.8 0.3 . 1 . . . A 60 GLY N . 19872 1 300 . 1 1 32 32 THR HA H 1 4.74 0.02 . 1 . . . A 61 THR HA . 19872 1 301 . 1 1 32 32 THR HB H 1 4.44 0.02 . 1 . . . A 61 THR HB . 19872 1 302 . 1 1 32 32 THR HG21 H 1 1.10 0.02 . 1 . . . A 61 THR HG21 . 19872 1 303 . 1 1 32 32 THR HG22 H 1 1.10 0.02 . 1 . . . A 61 THR HG22 . 19872 1 304 . 1 1 32 32 THR HG23 H 1 1.10 0.02 . 1 . . . A 61 THR HG23 . 19872 1 305 . 1 1 32 32 THR C C 13 173.1 0.3 . 1 . . . A 61 THR C . 19872 1 306 . 1 1 32 32 THR CA C 13 57.4 0.3 . 1 . . . A 61 THR CA . 19872 1 307 . 1 1 32 32 THR CB C 13 68.8 0.3 . 1 . . . A 61 THR CB . 19872 1 308 . 1 1 32 32 THR CG2 C 13 21.4 0.3 . 1 . . . A 61 THR CG2 . 19872 1 309 . 1 1 32 32 THR N N 15 107.8 0.3 . 1 . . . A 61 THR N . 19872 1 310 . 1 1 33 33 PRO HA H 1 3.97 0.02 . 1 . . . A 62 PRO HA . 19872 1 311 . 1 1 33 33 PRO HB2 H 1 2.33 0.02 . 2 . . . A 62 PRO HB2 . 19872 1 312 . 1 1 33 33 PRO HB3 H 1 1.66 0.02 . 2 . . . A 62 PRO HB3 . 19872 1 313 . 1 1 33 33 PRO HG2 H 1 1.92 0.02 . 2 . . . A 62 PRO HG2 . 19872 1 314 . 1 1 33 33 PRO HG3 H 1 1.45 0.02 . 2 . . . A 62 PRO HG3 . 19872 1 315 . 1 1 33 33 PRO HD2 H 1 3.63 0.02 . 2 . . . A 62 PRO HD2 . 19872 1 316 . 1 1 33 33 PRO HD3 H 1 3.50 0.02 . 2 . . . A 62 PRO HD3 . 19872 1 317 . 1 1 33 33 PRO C C 13 177.2 0.3 . 1 . . . A 62 PRO C . 19872 1 318 . 1 1 33 33 PRO CA C 13 64.9 0.3 . 1 . . . A 62 PRO CA . 19872 1 319 . 1 1 33 33 PRO CB C 13 31.1 0.3 . 1 . . . A 62 PRO CB . 19872 1 320 . 1 1 33 33 PRO CG C 13 28.6 0.3 . 1 . . . A 62 PRO CG . 19872 1 321 . 1 1 33 33 PRO CD C 13 49.3 0.3 . 1 . . . A 62 PRO CD . 19872 1 322 . 1 1 34 34 GLU HA H 1 3.94 0.02 . 1 . . . A 63 GLU HA . 19872 1 323 . 1 1 34 34 GLU HB2 H 1 1.85 0.02 . 1 . . . A 63 GLU HB2 . 19872 1 324 . 1 1 34 34 GLU HG2 H 1 2.21 0.02 . 2 . . . A 63 GLU HG2 . 19872 1 325 . 1 1 34 34 GLU HG3 H 1 2.12 0.02 . 2 . . . A 63 GLU HG3 . 19872 1 326 . 1 1 34 34 GLU C C 13 176.5 0.3 . 1 . . . A 63 GLU C . 19872 1 327 . 1 1 34 34 GLU CA C 13 58.1 0.3 . 1 . . . A 63 GLU CA . 19872 1 328 . 1 1 34 34 GLU CB C 13 29.2 0.3 . 1 . . . A 63 GLU CB . 19872 1 329 . 1 1 34 34 GLU CG C 13 36.2 0.3 . 1 . . . A 63 GLU CG . 19872 1 330 . 1 1 34 34 GLU N N 15 111.9 0.3 . 1 . . . A 63 GLU N . 19872 1 331 . 1 1 35 35 GLN HA H 1 4.48 0.02 . 1 . . . A 64 GLN HA . 19872 1 332 . 1 1 35 35 GLN HB2 H 1 1.86 0.02 . 2 . . . A 64 GLN HB2 . 19872 1 333 . 1 1 35 35 GLN HB3 H 1 1.68 0.02 . 2 . . . A 64 GLN HB3 . 19872 1 334 . 1 1 35 35 GLN HG2 H 1 2.05 0.02 . 1 . . . A 64 GLN HG2 . 19872 1 335 . 1 1 35 35 GLN HE21 H 1 7.37 0.02 . 1 . . . A 64 GLN HE21 . 19872 1 336 . 1 1 35 35 GLN HE22 H 1 6.71 0.02 . 1 . . . A 64 GLN HE22 . 19872 1 337 . 1 1 35 35 GLN C C 13 171.5 0.3 . 1 . . . A 64 GLN C . 19872 1 338 . 1 1 35 35 GLN CA C 13 52.4 0.3 . 1 . . . A 64 GLN CA . 19872 1 339 . 1 1 35 35 GLN CB C 13 29.1 0.3 . 1 . . . A 64 GLN CB . 19872 1 340 . 1 1 35 35 GLN CG C 13 33.5 0.3 . 1 . . . A 64 GLN CG . 19872 1 341 . 1 1 35 35 GLN N N 15 117.7 0.3 . 1 . . . A 64 GLN N . 19872 1 342 . 1 1 36 36 PRO HA H 1 4.55 0.02 . 1 . . . A 65 PRO HA . 19872 1 343 . 1 1 36 36 PRO HB2 H 1 1.77 0.02 . 1 . . . A 65 PRO HB2 . 19872 1 344 . 1 1 36 36 PRO HG2 H 1 2.10 0.02 . 2 . . . A 65 PRO HG2 . 19872 1 345 . 1 1 36 36 PRO HG3 H 1 1.98 0.02 . 2 . . . A 65 PRO HG3 . 19872 1 346 . 1 1 36 36 PRO HD2 H 1 3.39 0.02 . 1 . . . A 65 PRO HD2 . 19872 1 347 . 1 1 36 36 PRO C C 13 177.9 0.3 . 1 . . . A 65 PRO C . 19872 1 348 . 1 1 36 36 PRO CA C 13 63.0 0.3 . 1 . . . A 65 PRO CA . 19872 1 349 . 1 1 36 36 PRO CB C 13 31.7 0.3 . 1 . . . A 65 PRO CB . 19872 1 350 . 1 1 36 36 PRO CG C 13 27.1 0.3 . 1 . . . A 65 PRO CG . 19872 1 351 . 1 1 36 36 PRO CD C 13 49.4 0.3 . 1 . . . A 65 PRO CD . 19872 1 352 . 1 1 37 37 GLN HA H 1 4.50 0.02 . 1 . . . A 66 GLN HA . 19872 1 353 . 1 1 37 37 GLN HB2 H 1 2.44 0.02 . 2 . . . A 66 GLN HB2 . 19872 1 354 . 1 1 37 37 GLN HB3 H 1 1.10 0.02 . 2 . . . A 66 GLN HB3 . 19872 1 355 . 1 1 37 37 GLN HG2 H 1 2.29 0.02 . 1 . . . A 66 GLN HG2 . 19872 1 356 . 1 1 37 37 GLN HE21 H 1 7.84 0.02 . 1 . . . A 66 GLN HE21 . 19872 1 357 . 1 1 37 37 GLN HE22 H 1 6.87 0.02 . 1 . . . A 66 GLN HE22 . 19872 1 358 . 1 1 37 37 GLN C C 13 174.4 0.3 . 1 . . . A 66 GLN C . 19872 1 359 . 1 1 37 37 GLN CA C 13 54.6 0.3 . 1 . . . A 66 GLN CA . 19872 1 360 . 1 1 37 37 GLN CB C 13 29.1 0.3 . 1 . . . A 66 GLN CB . 19872 1 361 . 1 1 37 37 GLN CG C 13 33.0 0.3 . 1 . . . A 66 GLN CG . 19872 1 362 . 1 1 37 37 GLN N N 15 119.7 0.3 . 1 . . . A 66 GLN N . 19872 1 363 . 1 1 38 38 CYS HA H 1 4.70 0.02 . 1 . . . A 67 CYS HA . 19872 1 364 . 1 1 38 38 CYS HB2 H 1 3.41 0.02 . 2 . . . A 67 CYS HB2 . 19872 1 365 . 1 1 38 38 CYS HB3 H 1 2.84 0.02 . 2 . . . A 67 CYS HB3 . 19872 1 366 . 1 1 38 38 CYS C C 13 176.5 0.3 . 1 . . . A 67 CYS C . 19872 1 367 . 1 1 38 38 CYS CA C 13 58.7 0.3 . 1 . . . A 67 CYS CA . 19872 1 368 . 1 1 38 38 CYS CB C 13 32.8 0.3 . 1 . . . A 67 CYS CB . 19872 1 369 . 1 1 38 38 CYS N N 15 116.7 0.3 . 1 . . . A 67 CYS N . 19872 1 370 . 1 1 39 39 GLY HA2 H 1 3.73 0.02 . 1 . . . A 68 GLY HA2 . 19872 1 371 . 1 1 39 39 GLY C C 13 176.5 0.3 . 1 . . . A 68 GLY C . 19872 1 372 . 1 1 39 39 GLY CA C 13 45.9 0.3 . 1 . . . A 68 GLY CA . 19872 1 373 . 1 1 40 40 PHE HA H 1 4.71 0.02 . 1 . . . A 69 PHE HA . 19872 1 374 . 1 1 40 40 PHE HB2 H 1 3.39 0.02 . 2 . . . A 69 PHE HB2 . 19872 1 375 . 1 1 40 40 PHE HB3 H 1 3.11 0.02 . 2 . . . A 69 PHE HB3 . 19872 1 376 . 1 1 40 40 PHE HD1 H 1 7.56 0.02 . 1 . . . A 69 PHE HD1 . 19872 1 377 . 1 1 40 40 PHE HE1 H 1 7.40 0.02 . 1 . . . A 69 PHE HE1 . 19872 1 378 . 1 1 40 40 PHE HZ H 1 7.32 0.02 . 1 . . . A 69 PHE HZ . 19872 1 379 . 1 1 40 40 PHE C C 13 178.3 0.3 . 1 . . . A 69 PHE C . 19872 1 380 . 1 1 40 40 PHE CA C 13 59.9 0.3 . 1 . . . A 69 PHE CA . 19872 1 381 . 1 1 40 40 PHE CB C 13 37.9 0.3 . 1 . . . A 69 PHE CB . 19872 1 382 . 1 1 40 40 PHE N N 15 125.8 0.3 . 1 . . . A 69 PHE N . 19872 1 383 . 1 1 41 41 SER HA H 1 3.98 0.02 . 1 . . . A 70 SER HA . 19872 1 384 . 1 1 41 41 SER HB2 H 1 4.41 0.02 . 2 . . . A 70 SER HB2 . 19872 1 385 . 1 1 41 41 SER HB3 H 1 3.71 0.02 . 2 . . . A 70 SER HB3 . 19872 1 386 . 1 1 41 41 SER CA C 13 63.8 0.3 . 1 . . . A 70 SER CA . 19872 1 387 . 1 1 41 41 SER CB C 13 62.0 0.3 . 1 . . . A 70 SER CB . 19872 1 388 . 1 1 41 41 SER N N 15 124.2 0.3 . 1 . . . A 70 SER N . 19872 1 389 . 1 1 42 42 ASN HA H 1 4.15 0.02 . 1 . . . A 71 ASN HA . 19872 1 390 . 1 1 42 42 ASN HB2 H 1 2.76 0.02 . 2 . . . A 71 ASN HB2 . 19872 1 391 . 1 1 42 42 ASN HB3 H 1 2.62 0.02 . 2 . . . A 71 ASN HB3 . 19872 1 392 . 1 1 42 42 ASN HD21 H 1 7.65 0.02 . 1 . . . A 71 ASN HD21 . 19872 1 393 . 1 1 42 42 ASN HD22 H 1 6.80 0.02 . 1 . . . A 71 ASN HD22 . 19872 1 394 . 1 1 42 42 ASN C C 13 175.8 0.3 . 1 . . . A 71 ASN C . 19872 1 395 . 1 1 42 42 ASN CA C 13 56.4 0.3 . 1 . . . A 71 ASN CA . 19872 1 396 . 1 1 42 42 ASN CB C 13 38.8 0.3 . 1 . . . A 71 ASN CB . 19872 1 397 . 1 1 42 42 ASN N N 15 118.5 0.3 . 1 . . . A 71 ASN N . 19872 1 398 . 1 1 43 43 ALA HA H 1 3.98 0.02 . 1 . . . A 72 ALA HA . 19872 1 399 . 1 1 43 43 ALA HB1 H 1 1.53 0.02 . 1 . . . A 72 ALA HB1 . 19872 1 400 . 1 1 43 43 ALA HB2 H 1 1.53 0.02 . 1 . . . A 72 ALA HB2 . 19872 1 401 . 1 1 43 43 ALA HB3 H 1 1.53 0.02 . 1 . . . A 72 ALA HB3 . 19872 1 402 . 1 1 43 43 ALA C C 13 179.7 0.3 . 1 . . . A 72 ALA C . 19872 1 403 . 1 1 43 43 ALA CA C 13 54.8 0.3 . 1 . . . A 72 ALA CA . 19872 1 404 . 1 1 43 43 ALA CB C 13 17.7 0.3 . 1 . . . A 72 ALA CB . 19872 1 405 . 1 1 43 43 ALA N N 15 119.9 0.3 . 1 . . . A 72 ALA N . 19872 1 406 . 1 1 44 44 VAL HA H 1 3.34 0.02 . 1 . . . A 73 VAL HA . 19872 1 407 . 1 1 44 44 VAL HB H 1 2.07 0.02 . 1 . . . A 73 VAL HB . 19872 1 408 . 1 1 44 44 VAL HG11 H 1 0.88 0.02 . 1 . . . A 73 VAL HG11 . 19872 1 409 . 1 1 44 44 VAL HG12 H 1 0.88 0.02 . 1 . . . A 73 VAL HG12 . 19872 1 410 . 1 1 44 44 VAL HG13 H 1 0.88 0.02 . 1 . . . A 73 VAL HG13 . 19872 1 411 . 1 1 44 44 VAL HG21 H 1 0.60 0.02 . 1 . . . A 73 VAL HG21 . 19872 1 412 . 1 1 44 44 VAL HG22 H 1 0.60 0.02 . 1 . . . A 73 VAL HG22 . 19872 1 413 . 1 1 44 44 VAL HG23 H 1 0.60 0.02 . 1 . . . A 73 VAL HG23 . 19872 1 414 . 1 1 44 44 VAL C C 13 176.3 0.3 . 1 . . . A 73 VAL C . 19872 1 415 . 1 1 44 44 VAL CA C 13 66.2 0.3 . 1 . . . A 73 VAL CA . 19872 1 416 . 1 1 44 44 VAL CB C 13 31.1 0.3 . 1 . . . A 73 VAL CB . 19872 1 417 . 1 1 44 44 VAL CG1 C 13 22.2 0.3 . 1 . . . A 73 VAL CG1 . 19872 1 418 . 1 1 44 44 VAL CG2 C 13 20.4 0.3 . 1 . . . A 73 VAL CG2 . 19872 1 419 . 1 1 44 44 VAL N N 15 115.7 0.3 . 1 . . . A 73 VAL N . 19872 1 420 . 1 1 45 45 VAL HA H 1 3.33 0.02 . 1 . . . A 74 VAL HA . 19872 1 421 . 1 1 45 45 VAL HB H 1 2.20 0.02 . 1 . . . A 74 VAL HB . 19872 1 422 . 1 1 45 45 VAL HG11 H 1 0.96 0.02 . 1 . . . A 74 VAL HG11 . 19872 1 423 . 1 1 45 45 VAL HG12 H 1 0.96 0.02 . 1 . . . A 74 VAL HG12 . 19872 1 424 . 1 1 45 45 VAL HG13 H 1 0.96 0.02 . 1 . . . A 74 VAL HG13 . 19872 1 425 . 1 1 45 45 VAL HG21 H 1 0.96 0.02 . 1 . . . A 74 VAL HG21 . 19872 1 426 . 1 1 45 45 VAL HG22 H 1 0.96 0.02 . 1 . . . A 74 VAL HG22 . 19872 1 427 . 1 1 45 45 VAL HG23 H 1 0.96 0.02 . 1 . . . A 74 VAL HG23 . 19872 1 428 . 1 1 45 45 VAL C C 13 178.8 0.3 . 1 . . . A 74 VAL C . 19872 1 429 . 1 1 45 45 VAL CA C 13 66.1 0.3 . 1 . . . A 74 VAL CA . 19872 1 430 . 1 1 45 45 VAL CB C 13 31.1 0.3 . 1 . . . A 74 VAL CB . 19872 1 431 . 1 1 45 45 VAL CG1 C 13 22.5 0.3 . 1 . . . A 74 VAL CG1 . 19872 1 432 . 1 1 45 45 VAL CG2 C 13 20.4 0.3 . 1 . . . A 74 VAL CG2 . 19872 1 433 . 1 1 45 45 VAL N N 15 118.1 0.3 . 1 . . . A 74 VAL N . 19872 1 434 . 1 1 46 46 GLN HA H 1 3.91 0.02 . 1 . . . A 75 GLN HA . 19872 1 435 . 1 1 46 46 GLN HB2 H 1 1.97 0.02 . 1 . . . A 75 GLN HB2 . 19872 1 436 . 1 1 46 46 GLN HG2 H 1 2.33 0.02 . 1 . . . A 75 GLN HG2 . 19872 1 437 . 1 1 46 46 GLN HE21 H 1 7.21 0.02 . 1 . . . A 75 GLN HE21 . 19872 1 438 . 1 1 46 46 GLN HE22 H 1 6.78 0.02 . 1 . . . A 75 GLN HE22 . 19872 1 439 . 1 1 46 46 GLN C C 13 178.5 0.3 . 1 . . . A 75 GLN C . 19872 1 440 . 1 1 46 46 GLN CA C 13 57.9 0.3 . 1 . . . A 75 GLN CA . 19872 1 441 . 1 1 46 46 GLN CB C 13 27.1 0.3 . 1 . . . A 75 GLN CB . 19872 1 442 . 1 1 46 46 GLN CG C 13 32.4 0.3 . 1 . . . A 75 GLN CG . 19872 1 443 . 1 1 46 46 GLN N N 15 119.0 0.3 . 1 . . . A 75 GLN N . 19872 1 444 . 1 1 47 47 ILE HA H 1 3.32 0.02 . 1 . . . A 76 ILE HA . 19872 1 445 . 1 1 47 47 ILE HB H 1 1.76 0.02 . 1 . . . A 76 ILE HB . 19872 1 446 . 1 1 47 47 ILE HG12 H 1 1.41 0.02 . 1 . . . A 76 ILE HG12 . 19872 1 447 . 1 1 47 47 ILE HG21 H 1 0.54 0.02 . 1 . . . A 76 ILE HG21 . 19872 1 448 . 1 1 47 47 ILE HG22 H 1 0.54 0.02 . 1 . . . A 76 ILE HG22 . 19872 1 449 . 1 1 47 47 ILE HG23 H 1 0.54 0.02 . 1 . . . A 76 ILE HG23 . 19872 1 450 . 1 1 47 47 ILE HD11 H 1 0.44 0.02 . 1 . . . A 76 ILE HD11 . 19872 1 451 . 1 1 47 47 ILE HD12 H 1 0.44 0.02 . 1 . . . A 76 ILE HD12 . 19872 1 452 . 1 1 47 47 ILE HD13 H 1 0.44 0.02 . 1 . . . A 76 ILE HD13 . 19872 1 453 . 1 1 47 47 ILE C C 13 177.6 0.3 . 1 . . . A 76 ILE C . 19872 1 454 . 1 1 47 47 ILE CA C 13 64.7 0.3 . 1 . . . A 76 ILE CA . 19872 1 455 . 1 1 47 47 ILE CB C 13 36.9 0.3 . 1 . . . A 76 ILE CB . 19872 1 456 . 1 1 47 47 ILE CG1 C 13 28.9 0.3 . 1 . . . A 76 ILE CG1 . 19872 1 457 . 1 1 47 47 ILE CG2 C 13 17.6 0.3 . 1 . . . A 76 ILE CG2 . 19872 1 458 . 1 1 47 47 ILE CD1 C 13 11.7 0.3 . 1 . . . A 76 ILE CD1 . 19872 1 459 . 1 1 47 47 ILE N N 15 120.6 0.3 . 1 . . . A 76 ILE N . 19872 1 460 . 1 1 48 48 LEU HA H 1 3.73 0.02 . 1 . . . A 77 LEU HA . 19872 1 461 . 1 1 48 48 LEU HB2 H 1 1.60 0.02 . 2 . . . A 77 LEU HB2 . 19872 1 462 . 1 1 48 48 LEU HB3 H 1 1.08 0.02 . 2 . . . A 77 LEU HB3 . 19872 1 463 . 1 1 48 48 LEU HG H 1 1.48 0.02 . 1 . . . A 77 LEU HG . 19872 1 464 . 1 1 48 48 LEU HD11 H 1 -0.23 0.02 . 1 . . . A 77 LEU HD11 . 19872 1 465 . 1 1 48 48 LEU HD12 H 1 -0.23 0.02 . 1 . . . A 77 LEU HD12 . 19872 1 466 . 1 1 48 48 LEU HD13 H 1 -0.23 0.02 . 1 . . . A 77 LEU HD13 . 19872 1 467 . 1 1 48 48 LEU HD21 H 1 0.30 0.02 . 1 . . . A 77 LEU HD21 . 19872 1 468 . 1 1 48 48 LEU HD22 H 1 0.30 0.02 . 1 . . . A 77 LEU HD22 . 19872 1 469 . 1 1 48 48 LEU HD23 H 1 0.30 0.02 . 1 . . . A 77 LEU HD23 . 19872 1 470 . 1 1 48 48 LEU C C 13 178.4 0.3 . 1 . . . A 77 LEU C . 19872 1 471 . 1 1 48 48 LEU CA C 13 58.1 0.3 . 1 . . . A 77 LEU CA . 19872 1 472 . 1 1 48 48 LEU CB C 13 39.4 0.3 . 1 . . . A 77 LEU CB . 19872 1 473 . 1 1 48 48 LEU CG C 13 25.9 0.3 . 1 . . . A 77 LEU CG . 19872 1 474 . 1 1 48 48 LEU CD1 C 13 23.8 0.3 . 1 . . . A 77 LEU CD1 . 19872 1 475 . 1 1 48 48 LEU CD2 C 13 20.1 0.3 . 1 . . . A 77 LEU CD2 . 19872 1 476 . 1 1 48 48 LEU N N 15 117.8 0.3 . 1 . . . A 77 LEU N . 19872 1 477 . 1 1 49 49 ARG HA H 1 4.08 0.02 . 1 . . . A 78 ARG HA . 19872 1 478 . 1 1 49 49 ARG HB2 H 1 1.88 0.02 . 2 . . . A 78 ARG HB2 . 19872 1 479 . 1 1 49 49 ARG HB3 H 1 1.78 0.02 . 2 . . . A 78 ARG HB3 . 19872 1 480 . 1 1 49 49 ARG HG2 H 1 1.63 0.02 . 2 . . . A 78 ARG HG2 . 19872 1 481 . 1 1 49 49 ARG HG3 H 1 1.51 0.02 . 2 . . . A 78 ARG HG3 . 19872 1 482 . 1 1 49 49 ARG HD2 H 1 3.10 0.02 . 1 . . . A 78 ARG HD2 . 19872 1 483 . 1 1 49 49 ARG C C 13 180.8 0.3 . 1 . . . A 78 ARG C . 19872 1 484 . 1 1 49 49 ARG CA C 13 58.9 0.3 . 1 . . . A 78 ARG CA . 19872 1 485 . 1 1 49 49 ARG CB C 13 29.3 0.3 . 1 . . . A 78 ARG CB . 19872 1 486 . 1 1 49 49 ARG CG C 13 27.0 0.3 . 1 . . . A 78 ARG CG . 19872 1 487 . 1 1 49 49 ARG CD C 13 42.8 0.3 . 1 . . . A 78 ARG CD . 19872 1 488 . 1 1 49 49 ARG N N 15 118.8 0.3 . 1 . . . A 78 ARG N . 19872 1 489 . 1 1 50 50 LEU HA H 1 3.89 0.02 . 1 . . . A 79 LEU HA . 19872 1 490 . 1 1 50 50 LEU HB2 H 1 1.85 0.02 . 2 . . . A 79 LEU HB2 . 19872 1 491 . 1 1 50 50 LEU HB3 H 1 1.26 0.02 . 2 . . . A 79 LEU HB3 . 19872 1 492 . 1 1 50 50 LEU HG H 1 1.61 0.02 . 1 . . . A 79 LEU HG . 19872 1 493 . 1 1 50 50 LEU HD11 H 1 0.69 0.02 . 1 . . . A 79 LEU HD11 . 19872 1 494 . 1 1 50 50 LEU HD12 H 1 0.69 0.02 . 1 . . . A 79 LEU HD12 . 19872 1 495 . 1 1 50 50 LEU HD13 H 1 0.69 0.02 . 1 . . . A 79 LEU HD13 . 19872 1 496 . 1 1 50 50 LEU HD21 H 1 0.73 0.02 . 1 . . . A 79 LEU HD21 . 19872 1 497 . 1 1 50 50 LEU HD22 H 1 0.73 0.02 . 1 . . . A 79 LEU HD22 . 19872 1 498 . 1 1 50 50 LEU HD23 H 1 0.73 0.02 . 1 . . . A 79 LEU HD23 . 19872 1 499 . 1 1 50 50 LEU C C 13 178.2 0.3 . 1 . . . A 79 LEU C . 19872 1 500 . 1 1 50 50 LEU CA C 13 57.5 0.3 . 1 . . . A 79 LEU CA . 19872 1 501 . 1 1 50 50 LEU CB C 13 41.5 0.3 . 1 . . . A 79 LEU CB . 19872 1 502 . 1 1 50 50 LEU CG C 13 26.2 0.3 . 1 . . . A 79 LEU CG . 19872 1 503 . 1 1 50 50 LEU CD1 C 13 24.5 0.3 . 1 . . . A 79 LEU CD1 . 19872 1 504 . 1 1 50 50 LEU CD2 C 13 23.2 0.3 . 1 . . . A 79 LEU CD2 . 19872 1 505 . 1 1 50 50 LEU N N 15 123.2 0.3 . 1 . . . A 79 LEU N . 19872 1 506 . 1 1 51 51 HIS HA H 1 4.10 0.02 . 1 . . . A 80 HIS HA . 19872 1 507 . 1 1 51 51 HIS HB2 H 1 3.10 0.02 . 2 . . . A 80 HIS HB2 . 19872 1 508 . 1 1 51 51 HIS HB3 H 1 2.68 0.02 . 2 . . . A 80 HIS HB3 . 19872 1 509 . 1 1 51 51 HIS HD1 H 1 7.41 0.02 . 1 . . . A 80 HIS HD1 . 19872 1 510 . 1 1 51 51 HIS HE1 H 1 7.74 0.02 . 1 . . . A 80 HIS HE1 . 19872 1 511 . 1 1 51 51 HIS C C 13 176.0 0.3 . 1 . . . A 80 HIS C . 19872 1 512 . 1 1 51 51 HIS CA C 13 58.0 0.3 . 1 . . . A 80 HIS CA . 19872 1 513 . 1 1 51 51 HIS CB C 13 31.7 0.3 . 1 . . . A 80 HIS CB . 19872 1 514 . 1 1 51 51 HIS N N 15 112.2 0.3 . 1 . . . A 80 HIS N . 19872 1 515 . 1 1 51 51 HIS ND1 N 15 238.9 0.3 . 1 . . . A 80 HIS ND1 . 19872 1 516 . 1 1 51 51 HIS NE2 N 15 175.1 0.3 . 1 . . . A 80 HIS NE2 . 19872 1 517 . 1 1 52 52 GLY HA2 H 1 3.76 0.02 . 1 . . . A 81 GLY HA2 . 19872 1 518 . 1 1 52 52 GLY C C 13 174.0 0.3 . 1 . . . A 81 GLY C . 19872 1 519 . 1 1 52 52 GLY CA C 13 45.6 0.3 . 1 . . . A 81 GLY CA . 19872 1 520 . 1 1 52 52 GLY N N 15 111.7 0.3 . 1 . . . A 81 GLY N . 19872 1 521 . 1 1 53 53 VAL HA H 1 3.81 0.02 . 1 . . . A 82 VAL HA . 19872 1 522 . 1 1 53 53 VAL HB H 1 1.99 0.02 . 1 . . . A 82 VAL HB . 19872 1 523 . 1 1 53 53 VAL HG11 H 1 0.83 0.02 . 1 . . . A 82 VAL HG11 . 19872 1 524 . 1 1 53 53 VAL HG12 H 1 0.83 0.02 . 1 . . . A 82 VAL HG12 . 19872 1 525 . 1 1 53 53 VAL HG13 H 1 0.83 0.02 . 1 . . . A 82 VAL HG13 . 19872 1 526 . 1 1 53 53 VAL HG21 H 1 0.79 0.02 . 1 . . . A 82 VAL HG21 . 19872 1 527 . 1 1 53 53 VAL HG22 H 1 0.79 0.02 . 1 . . . A 82 VAL HG22 . 19872 1 528 . 1 1 53 53 VAL HG23 H 1 0.79 0.02 . 1 . . . A 82 VAL HG23 . 19872 1 529 . 1 1 53 53 VAL C C 13 174.8 0.3 . 1 . . . A 82 VAL C . 19872 1 530 . 1 1 53 53 VAL CA C 13 62.2 0.3 . 1 . . . A 82 VAL CA . 19872 1 531 . 1 1 53 53 VAL CB C 13 29.7 0.3 . 1 . . . A 82 VAL CB . 19872 1 532 . 1 1 53 53 VAL CG1 C 13 21.3 0.3 . 1 . . . A 82 VAL CG1 . 19872 1 533 . 1 1 53 53 VAL CG2 C 13 21.0 0.3 . 1 . . . A 82 VAL CG2 . 19872 1 534 . 1 1 53 53 VAL N N 15 120.4 0.3 . 1 . . . A 82 VAL N . 19872 1 535 . 1 1 54 54 ARG HA H 1 4.36 0.02 . 1 . . . A 83 ARG HA . 19872 1 536 . 1 1 54 54 ARG HB2 H 1 1.76 0.02 . 2 . . . A 83 ARG HB2 . 19872 1 537 . 1 1 54 54 ARG HB3 H 1 1.63 0.02 . 2 . . . A 83 ARG HB3 . 19872 1 538 . 1 1 54 54 ARG HG2 H 1 1.52 0.02 . 1 . . . A 83 ARG HG2 . 19872 1 539 . 1 1 54 54 ARG HD2 H 1 3.10 0.02 . 1 . . . A 83 ARG HD2 . 19872 1 540 . 1 1 54 54 ARG C C 13 176.0 0.3 . 1 . . . A 83 ARG C . 19872 1 541 . 1 1 54 54 ARG CA C 13 55.6 0.3 . 1 . . . A 83 ARG CA . 19872 1 542 . 1 1 54 54 ARG CB C 13 31.1 0.3 . 1 . . . A 83 ARG CB . 19872 1 543 . 1 1 54 54 ARG CG C 13 26.6 0.3 . 1 . . . A 83 ARG CG . 19872 1 544 . 1 1 54 54 ARG CD C 13 42.8 0.3 . 1 . . . A 83 ARG CD . 19872 1 545 . 1 1 54 54 ARG N N 15 126.6 0.3 . 1 . . . A 83 ARG N . 19872 1 546 . 1 1 55 55 ASP HA H 1 4.55 0.02 . 1 . . . A 84 ASP HA . 19872 1 547 . 1 1 55 55 ASP HB2 H 1 2.61 0.02 . 2 . . . A 84 ASP HB2 . 19872 1 548 . 1 1 55 55 ASP HB3 H 1 2.57 0.02 . 2 . . . A 84 ASP HB3 . 19872 1 549 . 1 1 55 55 ASP C C 13 174.2 0.3 . 1 . . . A 84 ASP C . 19872 1 550 . 1 1 55 55 ASP CA C 13 53.0 0.3 . 1 . . . A 84 ASP CA . 19872 1 551 . 1 1 55 55 ASP CB C 13 40.0 0.3 . 1 . . . A 84 ASP CB . 19872 1 552 . 1 1 55 55 ASP N N 15 118.4 0.3 . 1 . . . A 84 ASP N . 19872 1 553 . 1 1 56 56 TYR HA H 1 4.75 0.02 . 1 . . . A 85 TYR HA . 19872 1 554 . 1 1 56 56 TYR HB2 H 1 2.66 0.02 . 2 . . . A 85 TYR HB2 . 19872 1 555 . 1 1 56 56 TYR HB3 H 1 2.56 0.02 . 2 . . . A 85 TYR HB3 . 19872 1 556 . 1 1 56 56 TYR HD2 H 1 6.46 0.02 . 1 . . . A 85 TYR HD2 . 19872 1 557 . 1 1 56 56 TYR HE2 H 1 6.58 0.02 . 1 . . . A 85 TYR HE2 . 19872 1 558 . 1 1 56 56 TYR C C 13 173.1 0.3 . 1 . . . A 85 TYR C . 19872 1 559 . 1 1 56 56 TYR CA C 13 55.0 0.3 . 1 . . . A 85 TYR CA . 19872 1 560 . 1 1 56 56 TYR CB C 13 39.2 0.3 . 1 . . . A 85 TYR CB . 19872 1 561 . 1 1 56 56 TYR N N 15 116.2 0.3 . 1 . . . A 85 TYR N . 19872 1 562 . 1 1 57 57 ALA HA H 1 4.22 0.02 . 1 . . . A 86 ALA HA . 19872 1 563 . 1 1 57 57 ALA HB1 H 1 1.22 0.02 . 1 . . . A 86 ALA HB1 . 19872 1 564 . 1 1 57 57 ALA HB2 H 1 1.22 0.02 . 1 . . . A 86 ALA HB2 . 19872 1 565 . 1 1 57 57 ALA HB3 H 1 1.22 0.02 . 1 . . . A 86 ALA HB3 . 19872 1 566 . 1 1 57 57 ALA C C 13 174.3 0.3 . 1 . . . A 86 ALA C . 19872 1 567 . 1 1 57 57 ALA CA C 13 50.8 0.3 . 1 . . . A 86 ALA CA . 19872 1 568 . 1 1 57 57 ALA CB C 13 20.4 0.3 . 1 . . . A 86 ALA CB . 19872 1 569 . 1 1 57 57 ALA N N 15 125.0 0.3 . 1 . . . A 86 ALA N . 19872 1 570 . 1 1 58 58 ALA HA H 1 5.17 0.02 . 1 . . . A 87 ALA HA . 19872 1 571 . 1 1 58 58 ALA HB1 H 1 0.99 0.02 . 1 . . . A 87 ALA HB1 . 19872 1 572 . 1 1 58 58 ALA HB2 H 1 0.99 0.02 . 1 . . . A 87 ALA HB2 . 19872 1 573 . 1 1 58 58 ALA HB3 H 1 0.99 0.02 . 1 . . . A 87 ALA HB3 . 19872 1 574 . 1 1 58 58 ALA C C 13 175.4 0.3 . 1 . . . A 87 ALA C . 19872 1 575 . 1 1 58 58 ALA CA C 13 48.9 0.3 . 1 . . . A 87 ALA CA . 19872 1 576 . 1 1 58 58 ALA CB C 13 21.4 0.3 . 1 . . . A 87 ALA CB . 19872 1 577 . 1 1 58 58 ALA N N 15 124.4 0.3 . 1 . . . A 87 ALA N . 19872 1 578 . 1 1 59 59 TYR HA H 1 4.49 0.02 . 1 . . . A 88 TYR HA . 19872 1 579 . 1 1 59 59 TYR HB2 H 1 2.69 0.02 . 2 . . . A 88 TYR HB2 . 19872 1 580 . 1 1 59 59 TYR HB3 H 1 2.30 0.02 . 2 . . . A 88 TYR HB3 . 19872 1 581 . 1 1 59 59 TYR HD2 H 1 6.38 0.02 . 1 . . . A 88 TYR HD2 . 19872 1 582 . 1 1 59 59 TYR HE2 H 1 6.48 0.02 . 1 . . . A 88 TYR HE2 . 19872 1 583 . 1 1 59 59 TYR C C 13 174.1 0.3 . 1 . . . A 88 TYR C . 19872 1 584 . 1 1 59 59 TYR CA C 13 56.9 0.3 . 1 . . . A 88 TYR CA . 19872 1 585 . 1 1 59 59 TYR CB C 13 40.2 0.3 . 1 . . . A 88 TYR CB . 19872 1 586 . 1 1 59 59 TYR N N 15 121.1 0.3 . 1 . . . A 88 TYR N . 19872 1 587 . 1 1 60 60 ASN HA H 1 5.19 0.02 . 1 . . . A 89 ASN HA . 19872 1 588 . 1 1 60 60 ASN HB2 H 1 3.10 0.02 . 2 . . . A 89 ASN HB2 . 19872 1 589 . 1 1 60 60 ASN HB3 H 1 2.57 0.02 . 2 . . . A 89 ASN HB3 . 19872 1 590 . 1 1 60 60 ASN HD21 H 1 7.58 0.02 . 1 . . . A 89 ASN HD21 . 19872 1 591 . 1 1 60 60 ASN HD22 H 1 7.18 0.02 . 1 . . . A 89 ASN HD22 . 19872 1 592 . 1 1 60 60 ASN C C 13 178.0 0.3 . 1 . . . A 89 ASN C . 19872 1 593 . 1 1 60 60 ASN CA C 13 50.8 0.3 . 1 . . . A 89 ASN CA . 19872 1 594 . 1 1 60 60 ASN CB C 13 38.0 0.3 . 1 . . . A 89 ASN CB . 19872 1 595 . 1 1 60 60 ASN N N 15 122.3 0.3 . 1 . . . A 89 ASN N . 19872 1 596 . 1 1 61 61 VAL HA H 1 4.18 0.02 . 1 . . . A 90 VAL HA . 19872 1 597 . 1 1 61 61 VAL HB H 1 2.18 0.02 . 1 . . . A 90 VAL HB . 19872 1 598 . 1 1 61 61 VAL HG11 H 1 1.10 0.02 . 1 . . . A 90 VAL HG11 . 19872 1 599 . 1 1 61 61 VAL HG12 H 1 1.10 0.02 . 1 . . . A 90 VAL HG12 . 19872 1 600 . 1 1 61 61 VAL HG13 H 1 1.10 0.02 . 1 . . . A 90 VAL HG13 . 19872 1 601 . 1 1 61 61 VAL HG21 H 1 0.87 0.02 . 1 . . . A 90 VAL HG21 . 19872 1 602 . 1 1 61 61 VAL HG22 H 1 0.87 0.02 . 1 . . . A 90 VAL HG22 . 19872 1 603 . 1 1 61 61 VAL HG23 H 1 0.87 0.02 . 1 . . . A 90 VAL HG23 . 19872 1 604 . 1 1 61 61 VAL C C 13 176.7 0.3 . 1 . . . A 90 VAL C . 19872 1 605 . 1 1 61 61 VAL CA C 13 62.2 0.3 . 1 . . . A 90 VAL CA . 19872 1 606 . 1 1 61 61 VAL CB C 13 30.5 0.3 . 1 . . . A 90 VAL CB . 19872 1 607 . 1 1 61 61 VAL CG1 C 13 21.2 0.3 . 1 . . . A 90 VAL CG1 . 19872 1 608 . 1 1 61 61 VAL CG2 C 13 18.3 0.3 . 1 . . . A 90 VAL CG2 . 19872 1 609 . 1 1 61 61 VAL N N 15 117.9 0.3 . 1 . . . A 90 VAL N . 19872 1 610 . 1 1 62 62 LEU HA H 1 4.06 0.02 . 1 . . . A 91 LEU HA . 19872 1 611 . 1 1 62 62 LEU HB2 H 1 1.84 0.02 . 2 . . . A 91 LEU HB2 . 19872 1 612 . 1 1 62 62 LEU HB3 H 1 1.56 0.02 . 2 . . . A 91 LEU HB3 . 19872 1 613 . 1 1 62 62 LEU HG H 1 1.56 0.02 . 1 . . . A 91 LEU HG . 19872 1 614 . 1 1 62 62 LEU HD11 H 1 0.88 0.02 . 1 . . . A 91 LEU HD11 . 19872 1 615 . 1 1 62 62 LEU HD12 H 1 0.88 0.02 . 1 . . . A 91 LEU HD12 . 19872 1 616 . 1 1 62 62 LEU HD13 H 1 0.88 0.02 . 1 . . . A 91 LEU HD13 . 19872 1 617 . 1 1 62 62 LEU HD21 H 1 0.81 0.02 . 1 . . . A 91 LEU HD21 . 19872 1 618 . 1 1 62 62 LEU HD22 H 1 0.81 0.02 . 1 . . . A 91 LEU HD22 . 19872 1 619 . 1 1 62 62 LEU HD23 H 1 0.81 0.02 . 1 . . . A 91 LEU HD23 . 19872 1 620 . 1 1 62 62 LEU C C 13 177.5 0.3 . 1 . . . A 91 LEU C . 19872 1 621 . 1 1 62 62 LEU CA C 13 56.0 0.3 . 1 . . . A 91 LEU CA . 19872 1 622 . 1 1 62 62 LEU CB C 13 40.4 0.3 . 1 . . . A 91 LEU CB . 19872 1 623 . 1 1 62 62 LEU CG C 13 26.7 0.3 . 1 . . . A 91 LEU CG . 19872 1 624 . 1 1 62 62 LEU CD1 C 13 25.3 0.3 . 1 . . . A 91 LEU CD1 . 19872 1 625 . 1 1 62 62 LEU CD2 C 13 21.7 0.3 . 1 . . . A 91 LEU CD2 . 19872 1 626 . 1 1 62 62 LEU N N 15 118.9 0.3 . 1 . . . A 91 LEU N . 19872 1 627 . 1 1 63 63 ASP HA H 1 4.67 0.02 . 1 . . . A 92 ASP HA . 19872 1 628 . 1 1 63 63 ASP HB2 H 1 2.75 0.02 . 2 . . . A 92 ASP HB2 . 19872 1 629 . 1 1 63 63 ASP HB3 H 1 2.57 0.02 . 2 . . . A 92 ASP HB3 . 19872 1 630 . 1 1 63 63 ASP C C 13 175.5 0.3 . 1 . . . A 92 ASP C . 19872 1 631 . 1 1 63 63 ASP CA C 13 54.1 0.3 . 1 . . . A 92 ASP CA . 19872 1 632 . 1 1 63 63 ASP CB C 13 41.0 0.3 . 1 . . . A 92 ASP CB . 19872 1 633 . 1 1 63 63 ASP N N 15 115.5 0.3 . 1 . . . A 92 ASP N . 19872 1 634 . 1 1 64 64 ASP HA H 1 5.03 0.02 . 1 . . . A 93 ASP HA . 19872 1 635 . 1 1 64 64 ASP HB2 H 1 2.79 0.02 . 2 . . . A 93 ASP HB2 . 19872 1 636 . 1 1 64 64 ASP HB3 H 1 2.48 0.02 . 2 . . . A 93 ASP HB3 . 19872 1 637 . 1 1 64 64 ASP C C 13 172.8 0.3 . 1 . . . A 93 ASP C . 19872 1 638 . 1 1 64 64 ASP CA C 13 50.5 0.3 . 1 . . . A 93 ASP CA . 19872 1 639 . 1 1 64 64 ASP CB C 13 41.9 0.3 . 1 . . . A 93 ASP CB . 19872 1 640 . 1 1 64 64 ASP N N 15 115.0 0.3 . 1 . . . A 93 ASP N . 19872 1 641 . 1 1 65 65 PRO HA H 1 4.27 0.02 . 1 . . . A 94 PRO HA . 19872 1 642 . 1 1 65 65 PRO HB2 H 1 2.33 0.02 . 2 . . . A 94 PRO HB2 . 19872 1 643 . 1 1 65 65 PRO HB3 H 1 1.97 0.02 . 2 . . . A 94 PRO HB3 . 19872 1 644 . 1 1 65 65 PRO HG2 H 1 2.08 0.02 . 2 . . . A 94 PRO HG2 . 19872 1 645 . 1 1 65 65 PRO HG3 H 1 1.97 0.02 . 2 . . . A 94 PRO HG3 . 19872 1 646 . 1 1 65 65 PRO HD2 H 1 3.93 0.02 . 2 . . . A 94 PRO HD2 . 19872 1 647 . 1 1 65 65 PRO HD3 H 1 3.60 0.02 . 2 . . . A 94 PRO HD3 . 19872 1 648 . 1 1 65 65 PRO C C 13 179.3 0.3 . 1 . . . A 94 PRO C . 19872 1 649 . 1 1 65 65 PRO CA C 13 64.1 0.3 . 1 . . . A 94 PRO CA . 19872 1 650 . 1 1 65 65 PRO CB C 13 31.8 0.3 . 1 . . . A 94 PRO CB . 19872 1 651 . 1 1 65 65 PRO CG C 13 26.9 0.3 . 1 . . . A 94 PRO CG . 19872 1 652 . 1 1 65 65 PRO CD C 13 50.3 0.3 . 1 . . . A 94 PRO CD . 19872 1 653 . 1 1 66 66 GLU HA H 1 4.04 0.02 . 1 . . . A 95 GLU HA . 19872 1 654 . 1 1 66 66 GLU HB2 H 1 2.07 0.02 . 2 . . . A 95 GLU HB2 . 19872 1 655 . 1 1 66 66 GLU HB3 H 1 1.92 0.02 . 2 . . . A 95 GLU HB3 . 19872 1 656 . 1 1 66 66 GLU HG2 H 1 2.23 0.02 . 2 . . . A 95 GLU HG2 . 19872 1 657 . 1 1 66 66 GLU HG3 H 1 2.13 0.02 . 2 . . . A 95 GLU HG3 . 19872 1 658 . 1 1 66 66 GLU C C 13 179.5 0.3 . 1 . . . A 95 GLU C . 19872 1 659 . 1 1 66 66 GLU CA C 13 58.6 0.3 . 1 . . . A 95 GLU CA . 19872 1 660 . 1 1 66 66 GLU CB C 13 28.6 0.3 . 1 . . . A 95 GLU CB . 19872 1 661 . 1 1 66 66 GLU CG C 13 36.4 0.3 . 1 . . . A 95 GLU CG . 19872 1 662 . 1 1 66 66 GLU N N 15 118.6 0.3 . 1 . . . A 95 GLU N . 19872 1 663 . 1 1 67 67 LEU HA H 1 3.89 0.02 . 1 . . . A 96 LEU HA . 19872 1 664 . 1 1 67 67 LEU HB2 H 1 1.46 0.02 . 1 . . . A 96 LEU HB2 . 19872 1 665 . 1 1 67 67 LEU HG H 1 1.37 0.02 . 1 . . . A 96 LEU HG . 19872 1 666 . 1 1 67 67 LEU HD11 H 1 0.81 0.02 . 1 . . . A 96 LEU HD11 . 19872 1 667 . 1 1 67 67 LEU HD12 H 1 0.81 0.02 . 1 . . . A 96 LEU HD12 . 19872 1 668 . 1 1 67 67 LEU HD13 H 1 0.81 0.02 . 1 . . . A 96 LEU HD13 . 19872 1 669 . 1 1 67 67 LEU HD21 H 1 0.63 0.02 . 1 . . . A 96 LEU HD21 . 19872 1 670 . 1 1 67 67 LEU HD22 H 1 0.63 0.02 . 1 . . . A 96 LEU HD22 . 19872 1 671 . 1 1 67 67 LEU HD23 H 1 0.63 0.02 . 1 . . . A 96 LEU HD23 . 19872 1 672 . 1 1 67 67 LEU C C 13 177.2 0.3 . 1 . . . A 96 LEU C . 19872 1 673 . 1 1 67 67 LEU CA C 13 57.1 0.3 . 1 . . . A 96 LEU CA . 19872 1 674 . 1 1 67 67 LEU CB C 13 41.3 0.3 . 1 . . . A 96 LEU CB . 19872 1 675 . 1 1 67 67 LEU CG C 13 26.5 0.3 . 1 . . . A 96 LEU CG . 19872 1 676 . 1 1 67 67 LEU CD1 C 13 25.3 0.3 . 1 . . . A 96 LEU CD1 . 19872 1 677 . 1 1 67 67 LEU CD2 C 13 23.4 0.3 . 1 . . . A 96 LEU CD2 . 19872 1 678 . 1 1 67 67 LEU N N 15 123.8 0.3 . 1 . . . A 96 LEU N . 19872 1 679 . 1 1 68 68 ARG HA H 1 3.54 0.02 . 1 . . . A 97 ARG HA . 19872 1 680 . 1 1 68 68 ARG HB2 H 1 2.08 0.02 . 2 . . . A 97 ARG HB2 . 19872 1 681 . 1 1 68 68 ARG HB3 H 1 1.99 0.02 . 2 . . . A 97 ARG HB3 . 19872 1 682 . 1 1 68 68 ARG HG2 H 1 1.49 0.02 . 2 . . . A 97 ARG HG2 . 19872 1 683 . 1 1 68 68 ARG HG3 H 1 1.25 0.02 . 2 . . . A 97 ARG HG3 . 19872 1 684 . 1 1 68 68 ARG HD2 H 1 3.03 0.02 . 1 . . . A 97 ARG HD2 . 19872 1 685 . 1 1 68 68 ARG C C 13 176.4 0.3 . 1 . . . A 97 ARG C . 19872 1 686 . 1 1 68 68 ARG CA C 13 59.9 0.3 . 1 . . . A 97 ARG CA . 19872 1 687 . 1 1 68 68 ARG CB C 13 30.4 0.3 . 1 . . . A 97 ARG CB . 19872 1 688 . 1 1 68 68 ARG CG C 13 26.7 0.3 . 1 . . . A 97 ARG CG . 19872 1 689 . 1 1 68 68 ARG CD C 13 43.4 0.3 . 1 . . . A 97 ARG CD . 19872 1 690 . 1 1 68 68 ARG N N 15 117.9 0.3 . 1 . . . A 97 ARG N . 19872 1 691 . 1 1 69 69 GLN HA H 1 3.82 0.02 . 1 . . . A 98 GLN HA . 19872 1 692 . 1 1 69 69 GLN HB2 H 1 2.07 0.02 . 2 . . . A 98 GLN HB2 . 19872 1 693 . 1 1 69 69 GLN HB3 H 1 1.90 0.02 . 2 . . . A 98 GLN HB3 . 19872 1 694 . 1 1 69 69 GLN HG2 H 1 2.28 0.02 . 1 . . . A 98 GLN HG2 . 19872 1 695 . 1 1 69 69 GLN HE21 H 1 7.35 0.02 . 1 . . . A 98 GLN HE21 . 19872 1 696 . 1 1 69 69 GLN HE22 H 1 6.75 0.02 . 1 . . . A 98 GLN HE22 . 19872 1 697 . 1 1 69 69 GLN C C 13 177.5 0.3 . 1 . . . A 98 GLN C . 19872 1 698 . 1 1 69 69 GLN CA C 13 56.9 0.3 . 1 . . . A 98 GLN CA . 19872 1 699 . 1 1 69 69 GLN CB C 13 28.0 0.3 . 1 . . . A 98 GLN CB . 19872 1 700 . 1 1 69 69 GLN CG C 13 32.5 0.3 . 1 . . . A 98 GLN CG . 19872 1 701 . 1 1 69 69 GLN N N 15 114.4 0.3 . 1 . . . A 98 GLN N . 19872 1 702 . 1 1 70 70 GLY HA2 H 1 3.70 0.02 . 1 . . . A 99 GLY HA2 . 19872 1 703 . 1 1 70 70 GLY C C 13 176.7 0.3 . 1 . . . A 99 GLY C . 19872 1 704 . 1 1 70 70 GLY CA C 13 46.5 0.3 . 1 . . . A 99 GLY CA . 19872 1 705 . 1 1 70 70 GLY N N 15 107.7 0.3 . 1 . . . A 99 GLY N . 19872 1 706 . 1 1 71 71 ILE HA H 1 3.98 0.02 . 1 . . . A 100 ILE HA . 19872 1 707 . 1 1 71 71 ILE HB H 1 1.06 0.02 . 1 . . . A 100 ILE HB . 19872 1 708 . 1 1 71 71 ILE HG12 H 1 0.97 0.02 . 2 . . . A 100 ILE HG12 . 19872 1 709 . 1 1 71 71 ILE HG13 H 1 -0.32 0.02 . 2 . . . A 100 ILE HG13 . 19872 1 710 . 1 1 71 71 ILE HG21 H 1 0.59 0.02 . 1 . . . A 100 ILE HG21 . 19872 1 711 . 1 1 71 71 ILE HG22 H 1 0.59 0.02 . 1 . . . A 100 ILE HG22 . 19872 1 712 . 1 1 71 71 ILE HG23 H 1 0.59 0.02 . 1 . . . A 100 ILE HG23 . 19872 1 713 . 1 1 71 71 ILE HD11 H 1 0.10 0.02 . 1 . . . A 100 ILE HD11 . 19872 1 714 . 1 1 71 71 ILE HD12 H 1 0.10 0.02 . 1 . . . A 100 ILE HD12 . 19872 1 715 . 1 1 71 71 ILE HD13 H 1 0.10 0.02 . 1 . . . A 100 ILE HD13 . 19872 1 716 . 1 1 71 71 ILE C C 13 176.8 0.3 . 1 . . . A 100 ILE C . 19872 1 717 . 1 1 71 71 ILE CA C 13 60.5 0.3 . 1 . . . A 100 ILE CA . 19872 1 718 . 1 1 71 71 ILE CB C 13 37.5 0.3 . 1 . . . A 100 ILE CB . 19872 1 719 . 1 1 71 71 ILE CG1 C 13 27.8 0.3 . 1 . . . A 100 ILE CG1 . 19872 1 720 . 1 1 71 71 ILE CG2 C 13 18.6 0.3 . 1 . . . A 100 ILE CG2 . 19872 1 721 . 1 1 71 71 ILE CD1 C 13 14.6 0.3 . 1 . . . A 100 ILE CD1 . 19872 1 722 . 1 1 71 71 ILE N N 15 120.9 0.3 . 1 . . . A 100 ILE N . 19872 1 723 . 1 1 72 72 LYS HA H 1 4.08 0.02 . 1 . . . A 101 LYS HA . 19872 1 724 . 1 1 72 72 LYS HB2 H 1 1.80 0.02 . 2 . . . A 101 LYS HB2 . 19872 1 725 . 1 1 72 72 LYS HB3 H 1 1.72 0.02 . 2 . . . A 101 LYS HB3 . 19872 1 726 . 1 1 72 72 LYS HG2 H 1 1.54 0.02 . 2 . . . A 101 LYS HG2 . 19872 1 727 . 1 1 72 72 LYS HG3 H 1 1.14 0.02 . 2 . . . A 101 LYS HG3 . 19872 1 728 . 1 1 72 72 LYS HD2 H 1 1.50 0.02 . 2 . . . A 101 LYS HD2 . 19872 1 729 . 1 1 72 72 LYS HD3 H 1 1.43 0.02 . 2 . . . A 101 LYS HD3 . 19872 1 730 . 1 1 72 72 LYS HE2 H 1 2.67 0.02 . 1 . . . A 101 LYS HE2 . 19872 1 731 . 1 1 72 72 LYS C C 13 178.9 0.3 . 1 . . . A 101 LYS C . 19872 1 732 . 1 1 72 72 LYS CA C 13 58.7 0.3 . 1 . . . A 101 LYS CA . 19872 1 733 . 1 1 72 72 LYS CB C 13 31.8 0.3 . 1 . . . A 101 LYS CB . 19872 1 734 . 1 1 72 72 LYS CG C 13 24.4 0.3 . 1 . . . A 101 LYS CG . 19872 1 735 . 1 1 72 72 LYS CD C 13 29.9 0.3 . 1 . . . A 101 LYS CD . 19872 1 736 . 1 1 72 72 LYS CE C 13 41.4 0.3 . 1 . . . A 101 LYS CE . 19872 1 737 . 1 1 72 72 LYS N N 15 124.6 0.3 . 1 . . . A 101 LYS N . 19872 1 738 . 1 1 73 73 ASP HA H 1 4.25 0.02 . 1 . . . A 102 ASP HA . 19872 1 739 . 1 1 73 73 ASP HB2 H 1 2.58 0.02 . 2 . . . A 102 ASP HB2 . 19872 1 740 . 1 1 73 73 ASP HB3 H 1 2.58 0.02 . 2 . . . A 102 ASP HB3 . 19872 1 741 . 1 1 73 73 ASP C C 13 177.7 0.3 . 1 . . . A 102 ASP C . 19872 1 742 . 1 1 73 73 ASP CA C 13 56.2 0.3 . 1 . . . A 102 ASP CA . 19872 1 743 . 1 1 73 73 ASP CB C 13 39.7 0.3 . 1 . . . A 102 ASP CB . 19872 1 744 . 1 1 73 73 ASP N N 15 118.7 0.3 . 1 . . . A 102 ASP N . 19872 1 745 . 1 1 74 74 TYR HA H 1 4.06 0.02 . 1 . . . A 103 TYR HA . 19872 1 746 . 1 1 74 74 TYR HB2 H 1 3.01 0.02 . 2 . . . A 103 TYR HB2 . 19872 1 747 . 1 1 74 74 TYR HB3 H 1 2.75 0.02 . 2 . . . A 103 TYR HB3 . 19872 1 748 . 1 1 74 74 TYR HD1 H 1 6.90 0.02 . 1 . . . A 103 TYR HD1 . 19872 1 749 . 1 1 74 74 TYR HE1 H 1 6.67 0.02 . 1 . . . A 103 TYR HE1 . 19872 1 750 . 1 1 74 74 TYR C C 13 176.6 0.3 . 1 . . . A 103 TYR C . 19872 1 751 . 1 1 74 74 TYR CA C 13 60.5 0.3 . 1 . . . A 103 TYR CA . 19872 1 752 . 1 1 74 74 TYR CB C 13 39.9 0.3 . 1 . . . A 103 TYR CB . 19872 1 753 . 1 1 74 74 TYR N N 15 120.3 0.3 . 1 . . . A 103 TYR N . 19872 1 754 . 1 1 75 75 SER HA H 1 3.90 0.02 . 1 . . . A 104 SER HA . 19872 1 755 . 1 1 75 75 SER HB2 H 1 3.58 0.02 . 2 . . . A 104 SER HB2 . 19872 1 756 . 1 1 75 75 SER HB3 H 1 3.19 0.02 . 2 . . . A 104 SER HB3 . 19872 1 757 . 1 1 75 75 SER C C 13 174.6 0.3 . 1 . . . A 104 SER C . 19872 1 758 . 1 1 75 75 SER CA C 13 57.7 0.3 . 1 . . . A 104 SER CA . 19872 1 759 . 1 1 75 75 SER CB C 13 63.9 0.3 . 1 . . . A 104 SER CB . 19872 1 760 . 1 1 75 75 SER N N 15 110.9 0.3 . 1 . . . A 104 SER N . 19872 1 761 . 1 1 76 76 ASN HA H 1 4.20 0.02 . 1 . . . A 105 ASN HA . 19872 1 762 . 1 1 76 76 ASN HB2 H 1 3.00 0.02 . 2 . . . A 105 ASN HB2 . 19872 1 763 . 1 1 76 76 ASN HB3 H 1 2.54 0.02 . 2 . . . A 105 ASN HB3 . 19872 1 764 . 1 1 76 76 ASN HD21 H 1 7.38 0.02 . 1 . . . A 105 ASN HD21 . 19872 1 765 . 1 1 76 76 ASN HD22 H 1 6.63 0.02 . 1 . . . A 105 ASN HD22 . 19872 1 766 . 1 1 76 76 ASN C C 13 173.2 0.3 . 1 . . . A 105 ASN C . 19872 1 767 . 1 1 76 76 ASN CA C 13 53.8 0.3 . 1 . . . A 105 ASN CA . 19872 1 768 . 1 1 76 76 ASN CB C 13 37.2 0.3 . 1 . . . A 105 ASN CB . 19872 1 769 . 1 1 76 76 ASN N N 15 117.9 0.3 . 1 . . . A 105 ASN N . 19872 1 770 . 1 1 77 77 TRP HA H 1 5.08 0.02 . 1 . . . A 106 TRP HA . 19872 1 771 . 1 1 77 77 TRP HB2 H 1 2.99 0.02 . 2 . . . A 106 TRP HB2 . 19872 1 772 . 1 1 77 77 TRP HB3 H 1 2.49 0.02 . 2 . . . A 106 TRP HB3 . 19872 1 773 . 1 1 77 77 TRP HD1 H 1 7.43 0.02 . 1 . . . A 106 TRP HD1 . 19872 1 774 . 1 1 77 77 TRP HE1 H 1 9.88 0.02 . 1 . . . A 106 TRP HE1 . 19872 1 775 . 1 1 77 77 TRP HE3 H 1 7.72 0.02 . 1 . . . A 106 TRP HE3 . 19872 1 776 . 1 1 77 77 TRP HZ2 H 1 7.23 0.02 . 1 . . . A 106 TRP HZ2 . 19872 1 777 . 1 1 77 77 TRP HZ3 H 1 7.14 0.02 . 1 . . . A 106 TRP HZ3 . 19872 1 778 . 1 1 77 77 TRP HH2 H 1 7.45 0.02 . 1 . . . A 106 TRP HH2 . 19872 1 779 . 1 1 77 77 TRP C C 13 175.4 0.3 . 1 . . . A 106 TRP C . 19872 1 780 . 1 1 77 77 TRP CA C 13 53.5 0.3 . 1 . . . A 106 TRP CA . 19872 1 781 . 1 1 77 77 TRP CB C 13 31.0 0.3 . 1 . . . A 106 TRP CB . 19872 1 782 . 1 1 77 77 TRP N N 15 120.6 0.3 . 1 . . . A 106 TRP N . 19872 1 783 . 1 1 78 78 PRO HA H 1 4.17 0.02 . 1 . . . A 107 PRO HA . 19872 1 784 . 1 1 78 78 PRO HB2 H 1 1.86 0.02 . 1 . . . A 107 PRO HB2 . 19872 1 785 . 1 1 78 78 PRO HG2 H 1 1.69 0.02 . 2 . . . A 107 PRO HG2 . 19872 1 786 . 1 1 78 78 PRO HG3 H 1 1.39 0.02 . 2 . . . A 107 PRO HG3 . 19872 1 787 . 1 1 78 78 PRO HD2 H 1 3.32 0.02 . 2 . . . A 107 PRO HD2 . 19872 1 788 . 1 1 78 78 PRO HD3 H 1 2.76 0.02 . 2 . . . A 107 PRO HD3 . 19872 1 789 . 1 1 78 78 PRO C C 13 175.9 0.3 . 1 . . . A 107 PRO C . 19872 1 790 . 1 1 78 78 PRO CA C 13 63.7 0.3 . 1 . . . A 107 PRO CA . 19872 1 791 . 1 1 78 78 PRO CB C 13 31.6 0.3 . 1 . . . A 107 PRO CB . 19872 1 792 . 1 1 78 78 PRO CG C 13 25.9 0.3 . 1 . . . A 107 PRO CG . 19872 1 793 . 1 1 78 78 PRO CD C 13 50.0 0.3 . 1 . . . A 107 PRO CD . 19872 1 794 . 1 1 79 79 THR HA H 1 4.30 0.02 . 1 . . . A 108 THR HA . 19872 1 795 . 1 1 79 79 THR HB H 1 3.29 0.02 . 1 . . . A 108 THR HB . 19872 1 796 . 1 1 79 79 THR HG21 H 1 0.78 0.02 . 1 . . . A 108 THR HG21 . 19872 1 797 . 1 1 79 79 THR HG22 H 1 0.78 0.02 . 1 . . . A 108 THR HG22 . 19872 1 798 . 1 1 79 79 THR HG23 H 1 0.78 0.02 . 1 . . . A 108 THR HG23 . 19872 1 799 . 1 1 79 79 THR C C 13 171.4 0.3 . 1 . . . A 108 THR C . 19872 1 800 . 1 1 79 79 THR CA C 13 60.4 0.3 . 1 . . . A 108 THR CA . 19872 1 801 . 1 1 79 79 THR CB C 13 70.4 0.3 . 1 . . . A 108 THR CB . 19872 1 802 . 1 1 79 79 THR CG2 C 13 21.2 0.3 . 1 . . . A 108 THR CG2 . 19872 1 803 . 1 1 79 79 THR N N 15 110.5 0.3 . 1 . . . A 108 THR N . 19872 1 804 . 1 1 80 80 ILE HA H 1 4.26 0.02 . 1 . . . A 109 ILE HA . 19872 1 805 . 1 1 80 80 ILE HB H 1 1.95 0.02 . 1 . . . A 109 ILE HB . 19872 1 806 . 1 1 80 80 ILE HG12 H 1 1.50 0.02 . 2 . . . A 109 ILE HG12 . 19872 1 807 . 1 1 80 80 ILE HG13 H 1 1.26 0.02 . 2 . . . A 109 ILE HG13 . 19872 1 808 . 1 1 80 80 ILE HG21 H 1 0.78 0.02 . 1 . . . A 109 ILE HG21 . 19872 1 809 . 1 1 80 80 ILE HG22 H 1 0.78 0.02 . 1 . . . A 109 ILE HG22 . 19872 1 810 . 1 1 80 80 ILE HG23 H 1 0.78 0.02 . 1 . . . A 109 ILE HG23 . 19872 1 811 . 1 1 80 80 ILE HD11 H 1 0.73 0.02 . 1 . . . A 109 ILE HD11 . 19872 1 812 . 1 1 80 80 ILE HD12 H 1 0.73 0.02 . 1 . . . A 109 ILE HD12 . 19872 1 813 . 1 1 80 80 ILE HD13 H 1 0.73 0.02 . 1 . . . A 109 ILE HD13 . 19872 1 814 . 1 1 80 80 ILE C C 13 175.0 0.3 . 1 . . . A 109 ILE C . 19872 1 815 . 1 1 80 80 ILE CA C 13 55.9 0.3 . 1 . . . A 109 ILE CA . 19872 1 816 . 1 1 80 80 ILE CB C 13 40.1 0.3 . 1 . . . A 109 ILE CB . 19872 1 817 . 1 1 80 80 ILE CG1 C 13 26.6 0.3 . 1 . . . A 109 ILE CG1 . 19872 1 818 . 1 1 80 80 ILE CG2 C 13 17.5 0.3 . 1 . . . A 109 ILE CG2 . 19872 1 819 . 1 1 80 80 ILE CD1 C 13 10.3 0.3 . 1 . . . A 109 ILE CD1 . 19872 1 820 . 1 1 80 80 ILE N N 15 123.1 0.3 . 1 . . . A 109 ILE N . 19872 1 821 . 1 1 81 81 PRO HA H 1 5.34 0.02 . 1 . . . A 110 PRO HA . 19872 1 822 . 1 1 81 81 PRO HB2 H 1 2.59 0.02 . 2 . . . A 110 PRO HB2 . 19872 1 823 . 1 1 81 81 PRO HB3 H 1 1.93 0.02 . 2 . . . A 110 PRO HB3 . 19872 1 824 . 1 1 81 81 PRO HG2 H 1 1.86 0.02 . 2 . . . A 110 PRO HG2 . 19872 1 825 . 1 1 81 81 PRO HG3 H 1 1.60 0.02 . 2 . . . A 110 PRO HG3 . 19872 1 826 . 1 1 81 81 PRO HD2 H 1 3.85 0.02 . 2 . . . A 110 PRO HD2 . 19872 1 827 . 1 1 81 81 PRO HD3 H 1 3.55 0.02 . 2 . . . A 110 PRO HD3 . 19872 1 828 . 1 1 81 81 PRO C C 13 175.6 0.3 . 1 . . . A 110 PRO C . 19872 1 829 . 1 1 81 81 PRO CA C 13 61.5 0.3 . 1 . . . A 110 PRO CA . 19872 1 830 . 1 1 81 81 PRO CB C 13 37.5 0.3 . 1 . . . A 110 PRO CB . 19872 1 831 . 1 1 81 81 PRO CG C 13 24.5 0.3 . 1 . . . A 110 PRO CG . 19872 1 832 . 1 1 81 81 PRO CD C 13 51.3 0.3 . 1 . . . A 110 PRO CD . 19872 1 833 . 1 1 82 82 GLN HA H 1 4.93 0.02 . 1 . . . A 111 GLN HA . 19872 1 834 . 1 1 82 82 GLN HB2 H 1 2.52 0.02 . 2 . . . A 111 GLN HB2 . 19872 1 835 . 1 1 82 82 GLN HB3 H 1 2.60 0.02 . 2 . . . A 111 GLN HB3 . 19872 1 836 . 1 1 82 82 GLN HG2 H 1 2.56 0.02 . 1 . . . A 111 GLN HG2 . 19872 1 837 . 1 1 82 82 GLN HE21 H 1 7.32 0.02 . 1 . . . A 111 GLN HE21 . 19872 1 838 . 1 1 82 82 GLN HE22 H 1 6.15 0.02 . 1 . . . A 111 GLN HE22 . 19872 1 839 . 1 1 82 82 GLN C C 13 174.1 0.3 . 1 . . . A 111 GLN C . 19872 1 840 . 1 1 82 82 GLN CA C 13 55.4 0.3 . 1 . . . A 111 GLN CA . 19872 1 841 . 1 1 82 82 GLN CB C 13 33.9 0.3 . 1 . . . A 111 GLN CB . 19872 1 842 . 1 1 82 82 GLN CG C 13 34.0 0.3 . 1 . . . A 111 GLN CG . 19872 1 843 . 1 1 82 82 GLN N N 15 114.7 0.3 . 1 . . . A 111 GLN N . 19872 1 844 . 1 1 83 83 VAL HA H 1 4.78 0.02 . 1 . . . A 112 VAL HA . 19872 1 845 . 1 1 83 83 VAL HB H 1 1.63 0.02 . 1 . . . A 112 VAL HB . 19872 1 846 . 1 1 83 83 VAL HG11 H 1 0.70 0.02 . 1 . . . A 112 VAL HG11 . 19872 1 847 . 1 1 83 83 VAL HG12 H 1 0.70 0.02 . 1 . . . A 112 VAL HG12 . 19872 1 848 . 1 1 83 83 VAL HG13 H 1 0.70 0.02 . 1 . . . A 112 VAL HG13 . 19872 1 849 . 1 1 83 83 VAL HG21 H 1 0.59 0.02 . 1 . . . A 112 VAL HG21 . 19872 1 850 . 1 1 83 83 VAL HG22 H 1 0.59 0.02 . 1 . . . A 112 VAL HG22 . 19872 1 851 . 1 1 83 83 VAL HG23 H 1 0.59 0.02 . 1 . . . A 112 VAL HG23 . 19872 1 852 . 1 1 83 83 VAL C C 13 172.3 0.3 . 1 . . . A 112 VAL C . 19872 1 853 . 1 1 83 83 VAL CA C 13 61.2 0.3 . 1 . . . A 112 VAL CA . 19872 1 854 . 1 1 83 83 VAL CB C 13 33.5 0.3 . 1 . . . A 112 VAL CB . 19872 1 855 . 1 1 83 83 VAL CG1 C 13 20.3 0.3 . 1 . . . A 112 VAL CG1 . 19872 1 856 . 1 1 83 83 VAL CG2 C 13 19.5 0.3 . 1 . . . A 112 VAL CG2 . 19872 1 857 . 1 1 83 83 VAL N N 15 121.0 0.3 . 1 . . . A 112 VAL N . 19872 1 858 . 1 1 84 84 TYR HA H 1 4.97 0.02 . 1 . . . A 113 TYR HA . 19872 1 859 . 1 1 84 84 TYR HB2 H 1 3.13 0.02 . 2 . . . A 113 TYR HB2 . 19872 1 860 . 1 1 84 84 TYR HB3 H 1 2.58 0.02 . 2 . . . A 113 TYR HB3 . 19872 1 861 . 1 1 84 84 TYR HD2 H 1 6.93 0.02 . 1 . . . A 113 TYR HD2 . 19872 1 862 . 1 1 84 84 TYR HE2 H 1 6.86 0.02 . 1 . . . A 113 TYR HE2 . 19872 1 863 . 1 1 84 84 TYR C C 13 173.8 0.3 . 1 . . . A 113 TYR C . 19872 1 864 . 1 1 84 84 TYR CA C 13 56.7 0.3 . 1 . . . A 113 TYR CA . 19872 1 865 . 1 1 84 84 TYR CB C 13 41.0 0.3 . 1 . . . A 113 TYR CB . 19872 1 866 . 1 1 84 84 TYR N N 15 128.4 0.3 . 1 . . . A 113 TYR N . 19872 1 867 . 1 1 85 85 LEU HA H 1 5.33 0.02 . 1 . . . A 114 LEU HA . 19872 1 868 . 1 1 85 85 LEU HB2 H 1 1.53 0.02 . 2 . . . A 114 LEU HB2 . 19872 1 869 . 1 1 85 85 LEU HB3 H 1 1.17 0.02 . 2 . . . A 114 LEU HB3 . 19872 1 870 . 1 1 85 85 LEU HG H 1 1.35 0.02 . 1 . . . A 114 LEU HG . 19872 1 871 . 1 1 85 85 LEU HD11 H 1 0.74 0.02 . 1 . . . A 114 LEU HD11 . 19872 1 872 . 1 1 85 85 LEU HD12 H 1 0.74 0.02 . 1 . . . A 114 LEU HD12 . 19872 1 873 . 1 1 85 85 LEU HD13 H 1 0.74 0.02 . 1 . . . A 114 LEU HD13 . 19872 1 874 . 1 1 85 85 LEU HD21 H 1 0.56 0.02 . 1 . . . A 114 LEU HD21 . 19872 1 875 . 1 1 85 85 LEU HD22 H 1 0.56 0.02 . 1 . . . A 114 LEU HD22 . 19872 1 876 . 1 1 85 85 LEU HD23 H 1 0.56 0.02 . 1 . . . A 114 LEU HD23 . 19872 1 877 . 1 1 85 85 LEU C C 13 178.3 0.3 . 1 . . . A 114 LEU C . 19872 1 878 . 1 1 85 85 LEU CA C 13 52.1 0.3 . 1 . . . A 114 LEU CA . 19872 1 879 . 1 1 85 85 LEU CB C 13 43.3 0.3 . 1 . . . A 114 LEU CB . 19872 1 880 . 1 1 85 85 LEU CG C 13 26.6 0.3 . 1 . . . A 114 LEU CG . 19872 1 881 . 1 1 85 85 LEU CD1 C 13 24.6 0.3 . 1 . . . A 114 LEU CD1 . 19872 1 882 . 1 1 85 85 LEU CD2 C 13 24.3 0.3 . 1 . . . A 114 LEU CD2 . 19872 1 883 . 1 1 85 85 LEU N N 15 117.9 0.3 . 1 . . . A 114 LEU N . 19872 1 884 . 1 1 86 86 ASN HA H 1 4.50 0.02 . 1 . . . A 115 ASN HA . 19872 1 885 . 1 1 86 86 ASN HB2 H 1 3.40 0.02 . 2 . . . A 115 ASN HB2 . 19872 1 886 . 1 1 86 86 ASN HB3 H 1 2.27 0.02 . 2 . . . A 115 ASN HB3 . 19872 1 887 . 1 1 86 86 ASN HD21 H 1 7.66 0.02 . 1 . . . A 115 ASN HD21 . 19872 1 888 . 1 1 86 86 ASN HD22 H 1 6.66 0.02 . 1 . . . A 115 ASN HD22 . 19872 1 889 . 1 1 86 86 ASN C C 13 175.5 0.3 . 1 . . . A 115 ASN C . 19872 1 890 . 1 1 86 86 ASN CA C 13 52.7 0.3 . 1 . . . A 115 ASN CA . 19872 1 891 . 1 1 86 86 ASN CB C 13 38.7 0.3 . 1 . . . A 115 ASN CB . 19872 1 892 . 1 1 86 86 ASN N N 15 125.0 0.3 . 1 . . . A 115 ASN N . 19872 1 893 . 1 1 87 87 GLY HA2 H 1 3.50 0.02 . 1 . . . A 116 GLY HA2 . 19872 1 894 . 1 1 87 87 GLY C C 13 172.9 0.3 . 1 . . . A 116 GLY C . 19872 1 895 . 1 1 87 87 GLY CA C 13 45.1 0.3 . 1 . . . A 116 GLY CA . 19872 1 896 . 1 1 87 87 GLY N N 15 105.0 0.3 . 1 . . . A 116 GLY N . 19872 1 897 . 1 1 88 88 GLU HA H 1 4.75 0.02 . 1 . . . A 117 GLU HA . 19872 1 898 . 1 1 88 88 GLU HB2 H 1 1.93 0.02 . 2 . . . A 117 GLU HB2 . 19872 1 899 . 1 1 88 88 GLU HB3 H 1 1.84 0.02 . 2 . . . A 117 GLU HB3 . 19872 1 900 . 1 1 88 88 GLU HG2 H 1 2.22 0.02 . 2 . . . A 117 GLU HG2 . 19872 1 901 . 1 1 88 88 GLU HG3 H 1 2.10 0.02 . 2 . . . A 117 GLU HG3 . 19872 1 902 . 1 1 88 88 GLU C C 13 174.7 0.3 . 1 . . . A 117 GLU C . 19872 1 903 . 1 1 88 88 GLU CA C 13 54.0 0.3 . 1 . . . A 117 GLU CA . 19872 1 904 . 1 1 88 88 GLU CB C 13 31.6 0.3 . 1 . . . A 117 GLU CB . 19872 1 905 . 1 1 88 88 GLU CG C 13 35.2 0.3 . 1 . . . A 117 GLU CG . 19872 1 906 . 1 1 88 88 GLU N N 15 118.9 0.3 . 1 . . . A 117 GLU N . 19872 1 907 . 1 1 89 89 PHE HA H 1 3.19 0.02 . 1 . . . A 118 PHE HA . 19872 1 908 . 1 1 89 89 PHE HB2 H 1 2.91 0.02 . 2 . . . A 118 PHE HB2 . 19872 1 909 . 1 1 89 89 PHE HB3 H 1 2.58 0.02 . 2 . . . A 118 PHE HB3 . 19872 1 910 . 1 1 89 89 PHE HD1 H 1 6.58 0.02 . 1 . . . A 118 PHE HD1 . 19872 1 911 . 1 1 89 89 PHE HE1 H 1 6.91 0.02 . 1 . . . A 118 PHE HE1 . 19872 1 912 . 1 1 89 89 PHE HZ H 1 6.67 0.02 . 1 . . . A 118 PHE HZ . 19872 1 913 . 1 1 89 89 PHE C C 13 175.5 0.3 . 1 . . . A 118 PHE C . 19872 1 914 . 1 1 89 89 PHE CA C 13 57.5 0.3 . 1 . . . A 118 PHE CA . 19872 1 915 . 1 1 89 89 PHE CB C 13 38.1 0.3 . 1 . . . A 118 PHE CB . 19872 1 916 . 1 1 89 89 PHE N N 15 124.4 0.3 . 1 . . . A 118 PHE N . 19872 1 917 . 1 1 90 90 VAL HA H 1 3.71 0.02 . 1 . . . A 119 VAL HA . 19872 1 918 . 1 1 90 90 VAL HB H 1 1.40 0.02 . 1 . . . A 119 VAL HB . 19872 1 919 . 1 1 90 90 VAL HG11 H 1 0.62 0.02 . 1 . . . A 119 VAL HG11 . 19872 1 920 . 1 1 90 90 VAL HG12 H 1 0.62 0.02 . 1 . . . A 119 VAL HG12 . 19872 1 921 . 1 1 90 90 VAL HG13 H 1 0.62 0.02 . 1 . . . A 119 VAL HG13 . 19872 1 922 . 1 1 90 90 VAL HG21 H 1 0.45 0.02 . 1 . . . A 119 VAL HG21 . 19872 1 923 . 1 1 90 90 VAL HG22 H 1 0.45 0.02 . 1 . . . A 119 VAL HG22 . 19872 1 924 . 1 1 90 90 VAL HG23 H 1 0.45 0.02 . 1 . . . A 119 VAL HG23 . 19872 1 925 . 1 1 90 90 VAL C C 13 174.2 0.3 . 1 . . . A 119 VAL C . 19872 1 926 . 1 1 90 90 VAL CA C 13 61.9 0.3 . 1 . . . A 119 VAL CA . 19872 1 927 . 1 1 90 90 VAL CB C 13 32.4 0.3 . 1 . . . A 119 VAL CB . 19872 1 928 . 1 1 90 90 VAL CG1 C 13 21.1 0.3 . 1 . . . A 119 VAL CG1 . 19872 1 929 . 1 1 90 90 VAL CG2 C 13 20.5 0.3 . 1 . . . A 119 VAL CG2 . 19872 1 930 . 1 1 90 90 VAL N N 15 126.9 0.3 . 1 . . . A 119 VAL N . 19872 1 931 . 1 1 91 91 GLY HA2 H 1 2.42 0.02 . 1 . . . A 120 GLY HA2 . 19872 1 932 . 1 1 91 91 GLY CA C 13 44.1 0.3 . 1 . . . A 120 GLY CA . 19872 1 933 . 1 1 91 91 GLY N N 15 101.4 0.3 . 1 . . . A 120 GLY N . 19872 1 934 . 1 1 92 92 GLY HA2 H 1 3.84 0.02 . 1 . . . A 121 GLY HA2 . 19872 1 935 . 1 1 92 92 GLY C C 13 173.1 0.3 . 1 . . . A 121 GLY C . 19872 1 936 . 1 1 92 92 GLY CA C 13 43.2 0.3 . 1 . . . A 121 GLY CA . 19872 1 937 . 1 1 92 92 GLY N N 15 106.3 0.3 . 1 . . . A 121 GLY N . 19872 1 938 . 1 1 93 93 CYS HA H 1 3.66 0.02 . 1 . . . A 122 CYS HA . 19872 1 939 . 1 1 93 93 CYS HB2 H 1 2.86 0.02 . 2 . . . A 122 CYS HB2 . 19872 1 940 . 1 1 93 93 CYS HB3 H 1 2.61 0.02 . 2 . . . A 122 CYS HB3 . 19872 1 941 . 1 1 93 93 CYS C C 13 174.8 0.3 . 1 . . . A 122 CYS C . 19872 1 942 . 1 1 93 93 CYS CA C 13 61.8 0.3 . 1 . . . A 122 CYS CA . 19872 1 943 . 1 1 93 93 CYS CB C 13 26.6 0.3 . 1 . . . A 122 CYS CB . 19872 1 944 . 1 1 93 93 CYS N N 15 119.4 0.3 . 1 . . . A 122 CYS N . 19872 1 945 . 1 1 94 94 ASP HA H 1 4.24 0.02 . 1 . . . A 123 ASP HA . 19872 1 946 . 1 1 94 94 ASP HB2 H 1 2.58 0.02 . 1 . . . A 123 ASP HB2 . 19872 1 947 . 1 1 94 94 ASP C C 13 179.1 0.3 . 1 . . . A 123 ASP C . 19872 1 948 . 1 1 94 94 ASP CA C 13 57.7 0.3 . 1 . . . A 123 ASP CA . 19872 1 949 . 1 1 94 94 ASP CB C 13 39.2 0.3 . 1 . . . A 123 ASP CB . 19872 1 950 . 1 1 94 94 ASP N N 15 117.7 0.3 . 1 . . . A 123 ASP N . 19872 1 951 . 1 1 95 95 ILE HA H 1 3.72 0.02 . 1 . . . A 124 ILE HA . 19872 1 952 . 1 1 95 95 ILE HB H 1 1.43 0.02 . 1 . . . A 124 ILE HB . 19872 1 953 . 1 1 95 95 ILE HG12 H 1 1.43 0.02 . 2 . . . A 124 ILE HG12 . 19872 1 954 . 1 1 95 95 ILE HG13 H 1 1.15 0.02 . 2 . . . A 124 ILE HG13 . 19872 1 955 . 1 1 95 95 ILE HG21 H 1 0.67 0.02 . 1 . . . A 124 ILE HG21 . 19872 1 956 . 1 1 95 95 ILE HG22 H 1 0.67 0.02 . 1 . . . A 124 ILE HG22 . 19872 1 957 . 1 1 95 95 ILE HG23 H 1 0.67 0.02 . 1 . . . A 124 ILE HG23 . 19872 1 958 . 1 1 95 95 ILE HD11 H 1 0.67 0.02 . 1 . . . A 124 ILE HD11 . 19872 1 959 . 1 1 95 95 ILE HD12 H 1 0.67 0.02 . 1 . . . A 124 ILE HD12 . 19872 1 960 . 1 1 95 95 ILE HD13 H 1 0.67 0.02 . 1 . . . A 124 ILE HD13 . 19872 1 961 . 1 1 95 95 ILE C C 13 177.2 0.3 . 1 . . . A 124 ILE C . 19872 1 962 . 1 1 95 95 ILE CA C 13 63.1 0.3 . 1 . . . A 124 ILE CA . 19872 1 963 . 1 1 95 95 ILE CB C 13 37.0 0.3 . 1 . . . A 124 ILE CB . 19872 1 964 . 1 1 95 95 ILE CG1 C 13 28.8 0.3 . 1 . . . A 124 ILE CG1 . 19872 1 965 . 1 1 95 95 ILE CG2 C 13 17.0 0.3 . 1 . . . A 124 ILE CG2 . 19872 1 966 . 1 1 95 95 ILE CD1 C 13 11.7 0.3 . 1 . . . A 124 ILE CD1 . 19872 1 967 . 1 1 95 95 ILE N N 15 120.7 0.3 . 1 . . . A 124 ILE N . 19872 1 968 . 1 1 96 96 LEU HA H 1 3.83 0.02 . 1 . . . A 125 LEU HA . 19872 1 969 . 1 1 96 96 LEU HB2 H 1 1.69 0.02 . 2 . . . A 125 LEU HB2 . 19872 1 970 . 1 1 96 96 LEU HB3 H 1 1.22 0.02 . 2 . . . A 125 LEU HB3 . 19872 1 971 . 1 1 96 96 LEU HG H 1 1.59 0.02 . 1 . . . A 125 LEU HG . 19872 1 972 . 1 1 96 96 LEU HD21 H 1 0.65 0.02 . 1 . . . A 125 LEU HD21 . 19872 1 973 . 1 1 96 96 LEU HD22 H 1 0.65 0.02 . 1 . . . A 125 LEU HD22 . 19872 1 974 . 1 1 96 96 LEU HD23 H 1 0.65 0.02 . 1 . . . A 125 LEU HD23 . 19872 1 975 . 1 1 96 96 LEU C C 13 178.8 0.3 . 1 . . . A 125 LEU C . 19872 1 976 . 1 1 96 96 LEU CA C 13 57.4 0.3 . 1 . . . A 125 LEU CA . 19872 1 977 . 1 1 96 96 LEU CB C 13 40.8 0.3 . 1 . . . A 125 LEU CB . 19872 1 978 . 1 1 96 96 LEU CG C 13 26.6 0.3 . 1 . . . A 125 LEU CG . 19872 1 979 . 1 1 96 96 LEU CD1 C 13 23.3 0.3 . 1 . . . A 125 LEU CD1 . 19872 1 980 . 1 1 96 96 LEU CD2 C 13 22.8 0.3 . 1 . . . A 125 LEU CD2 . 19872 1 981 . 1 1 96 96 LEU N N 15 122.0 0.3 . 1 . . . A 125 LEU N . 19872 1 982 . 1 1 97 97 LEU HA H 1 3.96 0.02 . 1 . . . A 126 LEU HA . 19872 1 983 . 1 1 97 97 LEU HB2 H 1 1.67 0.02 . 1 . . . A 126 LEU HB2 . 19872 1 984 . 1 1 97 97 LEU HG H 1 1.61 0.02 . 1 . . . A 126 LEU HG . 19872 1 985 . 1 1 97 97 LEU HD11 H 1 0.88 0.02 . 1 . . . A 126 LEU HD11 . 19872 1 986 . 1 1 97 97 LEU HD12 H 1 0.88 0.02 . 1 . . . A 126 LEU HD12 . 19872 1 987 . 1 1 97 97 LEU HD13 H 1 0.88 0.02 . 1 . . . A 126 LEU HD13 . 19872 1 988 . 1 1 97 97 LEU HD21 H 1 0.80 0.02 . 1 . . . A 126 LEU HD21 . 19872 1 989 . 1 1 97 97 LEU HD22 H 1 0.80 0.02 . 1 . . . A 126 LEU HD22 . 19872 1 990 . 1 1 97 97 LEU HD23 H 1 0.80 0.02 . 1 . . . A 126 LEU HD23 . 19872 1 991 . 1 1 97 97 LEU C C 13 179.1 0.3 . 1 . . . A 126 LEU C . 19872 1 992 . 1 1 97 97 LEU CA C 13 57.8 0.3 . 1 . . . A 126 LEU CA . 19872 1 993 . 1 1 97 97 LEU CB C 13 40.8 0.3 . 1 . . . A 126 LEU CB . 19872 1 994 . 1 1 97 97 LEU CG C 13 26.6 0.3 . 1 . . . A 126 LEU CG . 19872 1 995 . 1 1 97 97 LEU CD1 C 13 24.0 0.3 . 1 . . . A 126 LEU CD1 . 19872 1 996 . 1 1 97 97 LEU CD2 C 13 23.9 0.3 . 1 . . . A 126 LEU CD2 . 19872 1 997 . 1 1 97 97 LEU N N 15 118.2 0.3 . 1 . . . A 126 LEU N . 19872 1 998 . 1 1 98 98 GLN HA H 1 3.97 0.02 . 1 . . . A 127 GLN HA . 19872 1 999 . 1 1 98 98 GLN HB2 H 1 2.13 0.02 . 1 . . . A 127 GLN HB2 . 19872 1 1000 . 1 1 98 98 GLN HG2 H 1 2.37 0.02 . 2 . . . A 127 GLN HG2 . 19872 1 1001 . 1 1 98 98 GLN HG3 H 1 2.24 0.02 . 2 . . . A 127 GLN HG3 . 19872 1 1002 . 1 1 98 98 GLN HE21 H 1 7.25 0.02 . 1 . . . A 127 GLN HE21 . 19872 1 1003 . 1 1 98 98 GLN HE22 H 1 6.72 0.02 . 1 . . . A 127 GLN HE22 . 19872 1 1004 . 1 1 98 98 GLN C C 13 178.2 0.3 . 1 . . . A 127 GLN C . 19872 1 1005 . 1 1 98 98 GLN CA C 13 59.0 0.3 . 1 . . . A 127 GLN CA . 19872 1 1006 . 1 1 98 98 GLN CB C 13 27.9 0.3 . 1 . . . A 127 GLN CB . 19872 1 1007 . 1 1 98 98 GLN CG C 13 33.4 0.3 . 1 . . . A 127 GLN CG . 19872 1 1008 . 1 1 98 98 GLN N N 15 119.9 0.3 . 1 . . . A 127 GLN N . 19872 1 1009 . 1 1 99 99 MET HA H 1 4.36 0.02 . 1 . . . A 128 MET HA . 19872 1 1010 . 1 1 99 99 MET HB2 H 1 1.99 0.02 . 2 . . . A 128 MET HB2 . 19872 1 1011 . 1 1 99 99 MET HB3 H 1 1.93 0.02 . 2 . . . A 128 MET HB3 . 19872 1 1012 . 1 1 99 99 MET HG2 H 1 2.77 0.02 . 2 . . . A 128 MET HG2 . 19872 1 1013 . 1 1 99 99 MET HG3 H 1 2.42 0.02 . 2 . . . A 128 MET HG3 . 19872 1 1014 . 1 1 99 99 MET C C 13 179.6 0.3 . 1 . . . A 128 MET C . 19872 1 1015 . 1 1 99 99 MET CA C 13 57.8 0.3 . 1 . . . A 128 MET CA . 19872 1 1016 . 1 1 99 99 MET CB C 13 33.5 0.3 . 1 . . . A 128 MET CB . 19872 1 1017 . 1 1 99 99 MET CG C 13 31.3 0.3 . 1 . . . A 128 MET CG . 19872 1 1018 . 1 1 99 99 MET CE C 13 15.1 0.3 . 1 . . . A 128 MET CE . 19872 1 1019 . 1 1 99 99 MET N N 15 117.5 0.3 . 1 . . . A 128 MET N . 19872 1 1020 . 1 1 100 100 HIS HA H 1 4.35 0.02 . 1 . . . A 129 HIS HA . 19872 1 1021 . 1 1 100 100 HIS HB2 H 1 3.51 0.02 . 2 . . . A 129 HIS HB2 . 19872 1 1022 . 1 1 100 100 HIS HB3 H 1 2.96 0.02 . 2 . . . A 129 HIS HB3 . 19872 1 1023 . 1 1 100 100 HIS HD1 H 1 6.90 0.02 . 1 . . . A 129 HIS HD1 . 19872 1 1024 . 1 1 100 100 HIS HE1 H 1 7.30 0.02 . 1 . . . A 129 HIS HE1 . 19872 1 1025 . 1 1 100 100 HIS C C 13 177.0 0.3 . 1 . . . A 129 HIS C . 19872 1 1026 . 1 1 100 100 HIS CA C 13 59.2 0.3 . 1 . . . A 129 HIS CA . 19872 1 1027 . 1 1 100 100 HIS CB C 13 31.1 0.3 . 1 . . . A 129 HIS CB . 19872 1 1028 . 1 1 100 100 HIS N N 15 122.3 0.3 . 1 . . . A 129 HIS N . 19872 1 1029 . 1 1 100 100 HIS ND1 N 15 247.8 0.3 . 1 . . . A 129 HIS ND1 . 19872 1 1030 . 1 1 100 100 HIS NE2 N 15 164.6 0.3 . 1 . . . A 129 HIS NE2 . 19872 1 1031 . 1 1 101 101 GLN HA H 1 3.76 0.02 . 1 . . . A 130 GLN HA . 19872 1 1032 . 1 1 101 101 GLN HB2 H 1 2.13 0.02 . 2 . . . A 130 GLN HB2 . 19872 1 1033 . 1 1 101 101 GLN HB3 H 1 1.99 0.02 . 2 . . . A 130 GLN HB3 . 19872 1 1034 . 1 1 101 101 GLN HG2 H 1 2.55 0.02 . 2 . . . A 130 GLN HG2 . 19872 1 1035 . 1 1 101 101 GLN HG3 H 1 2.35 0.02 . 2 . . . A 130 GLN HG3 . 19872 1 1036 . 1 1 101 101 GLN HE21 H 1 7.30 0.02 . 1 . . . A 130 GLN HE21 . 19872 1 1037 . 1 1 101 101 GLN HE22 H 1 6.76 0.02 . 1 . . . A 130 GLN HE22 . 19872 1 1038 . 1 1 101 101 GLN C C 13 177.6 0.3 . 1 . . . A 130 GLN C . 19872 1 1039 . 1 1 101 101 GLN CA C 13 57.8 0.3 . 1 . . . A 130 GLN CA . 19872 1 1040 . 1 1 101 101 GLN CB C 13 28.3 0.3 . 1 . . . A 130 GLN CB . 19872 1 1041 . 1 1 101 101 GLN CG C 13 33.7 0.3 . 1 . . . A 130 GLN CG . 19872 1 1042 . 1 1 101 101 GLN N N 15 116.7 0.3 . 1 . . . A 130 GLN N . 19872 1 1043 . 1 1 102 102 ASN HA H 1 4.62 0.02 . 1 . . . A 131 ASN HA . 19872 1 1044 . 1 1 102 102 ASN HB2 H 1 3.09 0.02 . 2 . . . A 131 ASN HB2 . 19872 1 1045 . 1 1 102 102 ASN HB3 H 1 2.68 0.02 . 2 . . . A 131 ASN HB3 . 19872 1 1046 . 1 1 102 102 ASN HD21 H 1 7.16 0.02 . 1 . . . A 131 ASN HD21 . 19872 1 1047 . 1 1 102 102 ASN HD22 H 1 6.49 0.02 . 1 . . . A 131 ASN HD22 . 19872 1 1048 . 1 1 102 102 ASN C C 13 176.6 0.3 . 1 . . . A 131 ASN C . 19872 1 1049 . 1 1 102 102 ASN CA C 13 52.3 0.3 . 1 . . . A 131 ASN CA . 19872 1 1050 . 1 1 102 102 ASN CB C 13 38.0 0.3 . 1 . . . A 131 ASN CB . 19872 1 1051 . 1 1 102 102 ASN N N 15 114.2 0.3 . 1 . . . A 131 ASN N . 19872 1 1052 . 1 1 103 103 GLY HA2 H 1 3.89 0.02 . 1 . . . A 132 GLY HA2 . 19872 1 1053 . 1 1 103 103 GLY C C 13 175.3 0.3 . 1 . . . A 132 GLY C . 19872 1 1054 . 1 1 103 103 GLY CA C 13 45.2 0.3 . 1 . . . A 132 GLY CA . 19872 1 1055 . 1 1 103 103 GLY N N 15 106.6 0.3 . 1 . . . A 132 GLY N . 19872 1 1056 . 1 1 104 104 ASP HA H 1 4.37 0.02 . 1 . . . A 133 ASP HA . 19872 1 1057 . 1 1 104 104 ASP HB2 H 1 2.59 0.02 . 2 . . . A 133 ASP HB2 . 19872 1 1058 . 1 1 104 104 ASP HB3 H 1 2.55 0.02 . 2 . . . A 133 ASP HB3 . 19872 1 1059 . 1 1 104 104 ASP C C 13 178.7 0.3 . 1 . . . A 133 ASP C . 19872 1 1060 . 1 1 104 104 ASP CA C 13 56.7 0.3 . 1 . . . A 133 ASP CA . 19872 1 1061 . 1 1 104 104 ASP CB C 13 40.0 0.3 . 1 . . . A 133 ASP CB . 19872 1 1062 . 1 1 104 104 ASP N N 15 122.9 0.3 . 1 . . . A 133 ASP N . 19872 1 1063 . 1 1 105 105 LEU HA H 1 3.78 0.02 . 1 . . . A 134 LEU HA . 19872 1 1064 . 1 1 105 105 LEU HB2 H 1 0.90 0.02 . 1 . . . A 134 LEU HB2 . 19872 1 1065 . 1 1 105 105 LEU HG H 1 0.90 0.02 . 1 . . . A 134 LEU HG . 19872 1 1066 . 1 1 105 105 LEU HD11 H 1 0.30 0.02 . 1 . . . A 134 LEU HD11 . 19872 1 1067 . 1 1 105 105 LEU HD12 H 1 0.30 0.02 . 1 . . . A 134 LEU HD12 . 19872 1 1068 . 1 1 105 105 LEU HD13 H 1 0.30 0.02 . 1 . . . A 134 LEU HD13 . 19872 1 1069 . 1 1 105 105 LEU HD21 H 1 0.55 0.02 . 1 . . . A 134 LEU HD21 . 19872 1 1070 . 1 1 105 105 LEU HD22 H 1 0.55 0.02 . 1 . . . A 134 LEU HD22 . 19872 1 1071 . 1 1 105 105 LEU HD23 H 1 0.55 0.02 . 1 . . . A 134 LEU HD23 . 19872 1 1072 . 1 1 105 105 LEU C C 13 177.3 0.3 . 1 . . . A 134 LEU C . 19872 1 1073 . 1 1 105 105 LEU CA C 13 57.3 0.3 . 1 . . . A 134 LEU CA . 19872 1 1074 . 1 1 105 105 LEU CB C 13 40.0 0.3 . 1 . . . A 134 LEU CB . 19872 1 1075 . 1 1 105 105 LEU CG C 13 25.9 0.3 . 1 . . . A 134 LEU CG . 19872 1 1076 . 1 1 105 105 LEU CD1 C 13 25.4 0.3 . 1 . . . A 134 LEU CD1 . 19872 1 1077 . 1 1 105 105 LEU CD2 C 13 21.4 0.3 . 1 . . . A 134 LEU CD2 . 19872 1 1078 . 1 1 105 105 LEU N N 15 118.9 0.3 . 1 . . . A 134 LEU N . 19872 1 1079 . 1 1 106 106 VAL HA H 1 3.40 0.02 . 1 . . . A 135 VAL HA . 19872 1 1080 . 1 1 106 106 VAL HB H 1 2.09 0.02 . 1 . . . A 135 VAL HB . 19872 1 1081 . 1 1 106 106 VAL HG11 H 1 1.13 0.02 . 1 . . . A 135 VAL HG11 . 19872 1 1082 . 1 1 106 106 VAL HG12 H 1 1.13 0.02 . 1 . . . A 135 VAL HG12 . 19872 1 1083 . 1 1 106 106 VAL HG13 H 1 1.13 0.02 . 1 . . . A 135 VAL HG13 . 19872 1 1084 . 1 1 106 106 VAL HG21 H 1 0.95 0.02 . 1 . . . A 135 VAL HG21 . 19872 1 1085 . 1 1 106 106 VAL HG22 H 1 0.95 0.02 . 1 . . . A 135 VAL HG22 . 19872 1 1086 . 1 1 106 106 VAL HG23 H 1 0.95 0.02 . 1 . . . A 135 VAL HG23 . 19872 1 1087 . 1 1 106 106 VAL C C 13 178.3 0.3 . 1 . . . A 135 VAL C . 19872 1 1088 . 1 1 106 106 VAL CA C 13 66.8 0.3 . 1 . . . A 135 VAL CA . 19872 1 1089 . 1 1 106 106 VAL CB C 13 31.2 0.3 . 1 . . . A 135 VAL CB . 19872 1 1090 . 1 1 106 106 VAL CG1 C 13 22.2 0.3 . 1 . . . A 135 VAL CG1 . 19872 1 1091 . 1 1 106 106 VAL CG2 C 13 21.4 0.3 . 1 . . . A 135 VAL CG2 . 19872 1 1092 . 1 1 106 106 VAL N N 15 116.6 0.3 . 1 . . . A 135 VAL N . 19872 1 1093 . 1 1 107 107 GLU HA H 1 4.02 0.02 . 1 . . . A 136 GLU HA . 19872 1 1094 . 1 1 107 107 GLU HB2 H 1 2.06 0.02 . 2 . . . A 136 GLU HB2 . 19872 1 1095 . 1 1 107 107 GLU HB3 H 1 2.06 0.02 . 2 . . . A 136 GLU HB3 . 19872 1 1096 . 1 1 107 107 GLU HG2 H 1 2.26 0.02 . 1 . . . A 136 GLU HG2 . 19872 1 1097 . 1 1 107 107 GLU C C 13 178.8 0.3 . 1 . . . A 136 GLU C . 19872 1 1098 . 1 1 107 107 GLU CA C 13 58.0 0.3 . 1 . . . A 136 GLU CA . 19872 1 1099 . 1 1 107 107 GLU CB C 13 28.5 0.3 . 1 . . . A 136 GLU CB . 19872 1 1100 . 1 1 107 107 GLU CG C 13 34.9 0.3 . 1 . . . A 136 GLU CG . 19872 1 1101 . 1 1 107 107 GLU N N 15 118.6 0.3 . 1 . . . A 136 GLU N . 19872 1 1102 . 1 1 108 108 GLU HA H 1 3.89 0.02 . 1 . . . A 137 GLU HA . 19872 1 1103 . 1 1 108 108 GLU HB2 H 1 1.87 0.02 . 2 . . . A 137 GLU HB2 . 19872 1 1104 . 1 1 108 108 GLU HB3 H 1 1.68 0.02 . 2 . . . A 137 GLU HB3 . 19872 1 1105 . 1 1 108 108 GLU HG2 H 1 1.95 0.02 . 2 . . . A 137 GLU HG2 . 19872 1 1106 . 1 1 108 108 GLU HG3 H 1 2.23 0.02 . 2 . . . A 137 GLU HG3 . 19872 1 1107 . 1 1 108 108 GLU C C 13 179.5 0.3 . 1 . . . A 137 GLU C . 19872 1 1108 . 1 1 108 108 GLU CA C 13 58.0 0.3 . 1 . . . A 137 GLU CA . 19872 1 1109 . 1 1 108 108 GLU CB C 13 28.6 0.3 . 1 . . . A 137 GLU CB . 19872 1 1110 . 1 1 108 108 GLU CG C 13 34.9 0.3 . 1 . . . A 137 GLU CG . 19872 1 1111 . 1 1 108 108 GLU N N 15 119.5 0.3 . 1 . . . A 137 GLU N . 19872 1 1112 . 1 1 109 109 LEU HA H 1 3.89 0.02 . 1 . . . A 138 LEU HA . 19872 1 1113 . 1 1 109 109 LEU HB2 H 1 1.76 0.02 . 2 . . . A 138 LEU HB2 . 19872 1 1114 . 1 1 109 109 LEU HB3 H 1 1.30 0.02 . 2 . . . A 138 LEU HB3 . 19872 1 1115 . 1 1 109 109 LEU HG H 1 1.64 0.02 . 1 . . . A 138 LEU HG . 19872 1 1116 . 1 1 109 109 LEU HD11 H 1 0.44 0.02 . 1 . . . A 138 LEU HD11 . 19872 1 1117 . 1 1 109 109 LEU HD12 H 1 0.44 0.02 . 1 . . . A 138 LEU HD12 . 19872 1 1118 . 1 1 109 109 LEU HD13 H 1 0.44 0.02 . 1 . . . A 138 LEU HD13 . 19872 1 1119 . 1 1 109 109 LEU HD21 H 1 0.54 0.02 . 1 . . . A 138 LEU HD21 . 19872 1 1120 . 1 1 109 109 LEU HD22 H 1 0.54 0.02 . 1 . . . A 138 LEU HD22 . 19872 1 1121 . 1 1 109 109 LEU HD23 H 1 0.54 0.02 . 1 . . . A 138 LEU HD23 . 19872 1 1122 . 1 1 109 109 LEU C C 13 179.2 0.3 . 1 . . . A 138 LEU C . 19872 1 1123 . 1 1 109 109 LEU CA C 13 57.5 0.3 . 1 . . . A 138 LEU CA . 19872 1 1124 . 1 1 109 109 LEU CB C 13 39.3 0.3 . 1 . . . A 138 LEU CB . 19872 1 1125 . 1 1 109 109 LEU CG C 13 26.0 0.3 . 1 . . . A 138 LEU CG . 19872 1 1126 . 1 1 109 109 LEU CD1 C 13 25.5 0.3 . 1 . . . A 138 LEU CD1 . 19872 1 1127 . 1 1 109 109 LEU CD2 C 13 20.9 0.3 . 1 . . . A 138 LEU CD2 . 19872 1 1128 . 1 1 109 109 LEU N N 15 117.4 0.3 . 1 . . . A 138 LEU N . 19872 1 1129 . 1 1 110 110 LYS HA H 1 3.85 0.02 . 1 . . . A 139 LYS HA . 19872 1 1130 . 1 1 110 110 LYS HB2 H 1 1.92 0.02 . 1 . . . A 139 LYS HB2 . 19872 1 1131 . 1 1 110 110 LYS HG2 H 1 1.45 0.02 . 2 . . . A 139 LYS HG2 . 19872 1 1132 . 1 1 110 110 LYS HG3 H 1 1.26 0.02 . 2 . . . A 139 LYS HG3 . 19872 1 1133 . 1 1 110 110 LYS HD2 H 1 1.60 0.02 . 1 . . . A 139 LYS HD2 . 19872 1 1134 . 1 1 110 110 LYS HE2 H 1 2.82 0.02 . 2 . . . A 139 LYS HE2 . 19872 1 1135 . 1 1 110 110 LYS HE3 H 1 2.76 0.02 . 2 . . . A 139 LYS HE3 . 19872 1 1136 . 1 1 110 110 LYS C C 13 180.9 0.3 . 1 . . . A 139 LYS C . 19872 1 1137 . 1 1 110 110 LYS CA C 13 59.6 0.3 . 1 . . . A 139 LYS CA . 19872 1 1138 . 1 1 110 110 LYS CB C 13 31.8 0.3 . 1 . . . A 139 LYS CB . 19872 1 1139 . 1 1 110 110 LYS CG C 13 24.5 0.3 . 1 . . . A 139 LYS CG . 19872 1 1140 . 1 1 110 110 LYS CD C 13 29.2 0.3 . 1 . . . A 139 LYS CD . 19872 1 1141 . 1 1 110 110 LYS CE C 13 41.4 0.3 . 1 . . . A 139 LYS CE . 19872 1 1142 . 1 1 110 110 LYS N N 15 121.1 0.3 . 1 . . . A 139 LYS N . 19872 1 1143 . 1 1 111 111 LYS HA H 1 3.94 0.02 . 1 . . . A 140 LYS HA . 19872 1 1144 . 1 1 111 111 LYS HB2 H 1 1.86 0.02 . 1 . . . A 140 LYS HB2 . 19872 1 1145 . 1 1 111 111 LYS HG2 H 1 1.60 0.02 . 2 . . . A 140 LYS HG2 . 19872 1 1146 . 1 1 111 111 LYS HG3 H 1 1.38 0.02 . 2 . . . A 140 LYS HG3 . 19872 1 1147 . 1 1 111 111 LYS HD2 H 1 1.60 0.02 . 1 . . . A 140 LYS HD2 . 19872 1 1148 . 1 1 111 111 LYS HE2 H 1 2.76 0.02 . 2 . . . A 140 LYS HE2 . 19872 1 1149 . 1 1 111 111 LYS HE3 H 1 2.76 0.02 . 2 . . . A 140 LYS HE3 . 19872 1 1150 . 1 1 111 111 LYS C C 13 177.6 0.3 . 1 . . . A 140 LYS C . 19872 1 1151 . 1 1 111 111 LYS CA C 13 58.7 0.3 . 1 . . . A 140 LYS CA . 19872 1 1152 . 1 1 111 111 LYS CB C 13 31.9 0.3 . 1 . . . A 140 LYS CB . 19872 1 1153 . 1 1 111 111 LYS CG C 13 25.3 0.3 . 1 . . . A 140 LYS CG . 19872 1 1154 . 1 1 111 111 LYS CD C 13 29.2 0.3 . 1 . . . A 140 LYS CD . 19872 1 1155 . 1 1 111 111 LYS CE C 13 41.4 0.3 . 1 . . . A 140 LYS CE . 19872 1 1156 . 1 1 111 111 LYS N N 15 119.8 0.3 . 1 . . . A 140 LYS N . 19872 1 1157 . 1 1 112 112 LEU HA H 1 4.32 0.02 . 1 . . . A 141 LEU HA . 19872 1 1158 . 1 1 112 112 LEU HB2 H 1 1.88 0.02 . 2 . . . A 141 LEU HB2 . 19872 1 1159 . 1 1 112 112 LEU HB3 H 1 1.61 0.02 . 2 . . . A 141 LEU HB3 . 19872 1 1160 . 1 1 112 112 LEU HG H 1 1.88 0.02 . 1 . . . A 141 LEU HG . 19872 1 1161 . 1 1 112 112 LEU HD11 H 1 0.81 0.02 . 1 . . . A 141 LEU HD11 . 19872 1 1162 . 1 1 112 112 LEU HD12 H 1 0.81 0.02 . 1 . . . A 141 LEU HD12 . 19872 1 1163 . 1 1 112 112 LEU HD13 H 1 0.81 0.02 . 1 . . . A 141 LEU HD13 . 19872 1 1164 . 1 1 112 112 LEU HD21 H 1 0.75 0.02 . 1 . . . A 141 LEU HD21 . 19872 1 1165 . 1 1 112 112 LEU HD22 H 1 0.75 0.02 . 1 . . . A 141 LEU HD22 . 19872 1 1166 . 1 1 112 112 LEU HD23 H 1 0.75 0.02 . 1 . . . A 141 LEU HD23 . 19872 1 1167 . 1 1 112 112 LEU C C 13 176.4 0.3 . 1 . . . A 141 LEU C . 19872 1 1168 . 1 1 112 112 LEU CA C 13 53.6 0.3 . 1 . . . A 141 LEU CA . 19872 1 1169 . 1 1 112 112 LEU CB C 13 42.0 0.3 . 1 . . . A 141 LEU CB . 19872 1 1170 . 1 1 112 112 LEU CG C 13 26.2 0.3 . 1 . . . A 141 LEU CG . 19872 1 1171 . 1 1 112 112 LEU CD1 C 13 23.2 0.3 . 1 . . . A 141 LEU CD1 . 19872 1 1172 . 1 1 112 112 LEU CD2 C 13 22.8 0.3 . 1 . . . A 141 LEU CD2 . 19872 1 1173 . 1 1 112 112 LEU N N 15 116.6 0.3 . 1 . . . A 141 LEU N . 19872 1 1174 . 1 1 113 113 GLY HA2 H 1 3.67 0.02 . 1 . . . A 142 GLY HA2 . 19872 1 1175 . 1 1 113 113 GLY C C 13 173.9 0.3 . 1 . . . A 142 GLY C . 19872 1 1176 . 1 1 113 113 GLY CA C 13 45.0 0.3 . 1 . . . A 142 GLY CA . 19872 1 1177 . 1 1 113 113 GLY N N 15 107.2 0.3 . 1 . . . A 142 GLY N . 19872 1 1178 . 1 1 114 114 ILE HA H 1 4.02 0.02 . 1 . . . A 143 ILE HA . 19872 1 1179 . 1 1 114 114 ILE HB H 1 1.52 0.02 . 1 . . . A 143 ILE HB . 19872 1 1180 . 1 1 114 114 ILE HG12 H 1 1.31 0.02 . 2 . . . A 143 ILE HG12 . 19872 1 1181 . 1 1 114 114 ILE HG13 H 1 0.94 0.02 . 2 . . . A 143 ILE HG13 . 19872 1 1182 . 1 1 114 114 ILE HG21 H 1 0.73 0.02 . 1 . . . A 143 ILE HG21 . 19872 1 1183 . 1 1 114 114 ILE HG22 H 1 0.73 0.02 . 1 . . . A 143 ILE HG22 . 19872 1 1184 . 1 1 114 114 ILE HG23 H 1 0.73 0.02 . 1 . . . A 143 ILE HG23 . 19872 1 1185 . 1 1 114 114 ILE HD11 H 1 0.74 0.02 . 1 . . . A 143 ILE HD11 . 19872 1 1186 . 1 1 114 114 ILE HD12 H 1 0.74 0.02 . 1 . . . A 143 ILE HD12 . 19872 1 1187 . 1 1 114 114 ILE HD13 H 1 0.74 0.02 . 1 . . . A 143 ILE HD13 . 19872 1 1188 . 1 1 114 114 ILE C C 13 173.9 0.3 . 1 . . . A 143 ILE C . 19872 1 1189 . 1 1 114 114 ILE CA C 13 60.0 0.3 . 1 . . . A 143 ILE CA . 19872 1 1190 . 1 1 114 114 ILE CB C 13 38.7 0.3 . 1 . . . A 143 ILE CB . 19872 1 1191 . 1 1 114 114 ILE CG1 C 13 26.5 0.3 . 1 . . . A 143 ILE CG1 . 19872 1 1192 . 1 1 114 114 ILE CG2 C 13 16.7 0.3 . 1 . . . A 143 ILE CG2 . 19872 1 1193 . 1 1 114 114 ILE CD1 C 13 13.7 0.3 . 1 . . . A 143 ILE CD1 . 19872 1 1194 . 1 1 114 114 ILE N N 15 121.6 0.3 . 1 . . . A 143 ILE N . 19872 1 1195 . 1 1 115 115 HIS HA H 1 4.34 0.02 . 1 . . . A 144 HIS HA . 19872 1 1196 . 1 1 115 115 HIS HB2 H 1 3.12 0.02 . 2 . . . A 144 HIS HB2 . 19872 1 1197 . 1 1 115 115 HIS HB3 H 1 2.93 0.02 . 2 . . . A 144 HIS HB3 . 19872 1 1198 . 1 1 115 115 HIS HD1 H 1 6.94 0.02 . 1 . . . A 144 HIS HD1 . 19872 1 1199 . 1 1 115 115 HIS HE1 H 1 8.12 0.02 . 1 . . . A 144 HIS HE1 . 19872 1 1200 . 1 1 115 115 HIS C C 13 173.8 0.3 . 1 . . . A 144 HIS C . 19872 1 1201 . 1 1 115 115 HIS CA C 13 54.3 0.3 . 1 . . . A 144 HIS CA . 19872 1 1202 . 1 1 115 115 HIS CB C 13 28.6 0.3 . 1 . . . A 144 HIS CB . 19872 1 1203 . 1 1 115 115 HIS N N 15 128.0 0.3 . 1 . . . A 144 HIS N . 19872 1 1204 . 1 1 115 115 HIS NE2 N 15 178.2 0.3 . 1 . . . A 144 HIS NE2 . 19872 1 1205 . 1 1 116 116 SER HA H 1 4.47 0.02 . 1 . . . A 145 SER HA . 19872 1 1206 . 1 1 116 116 SER HB2 H 1 4.09 0.02 . 2 . . . A 145 SER HB2 . 19872 1 1207 . 1 1 116 116 SER HB3 H 1 3.56 0.02 . 2 . . . A 145 SER HB3 . 19872 1 1208 . 1 1 116 116 SER CA C 13 57.8 0.3 . 1 . . . A 145 SER CA . 19872 1 1209 . 1 1 116 116 SER CB C 13 62.2 0.3 . 1 . . . A 145 SER CB . 19872 1 1210 . 1 1 116 116 SER N N 15 121.4 0.3 . 1 . . . A 145 SER N . 19872 1 1211 . 1 1 117 117 ALA HA H 1 4.18 0.02 . 1 . . . A 146 ALA HA . 19872 1 1212 . 1 1 117 117 ALA HB1 H 1 1.30 0.02 . 1 . . . A 146 ALA HB1 . 19872 1 1213 . 1 1 117 117 ALA HB2 H 1 1.30 0.02 . 1 . . . A 146 ALA HB2 . 19872 1 1214 . 1 1 117 117 ALA HB3 H 1 1.30 0.02 . 1 . . . A 146 ALA HB3 . 19872 1 1215 . 1 1 117 117 ALA C C 13 178.1 0.3 . 1 . . . A 146 ALA C . 19872 1 1216 . 1 1 117 117 ALA CA C 13 52.9 0.3 . 1 . . . A 146 ALA CA . 19872 1 1217 . 1 1 117 117 ALA CB C 13 17.7 0.3 . 1 . . . A 146 ALA CB . 19872 1 1218 . 1 1 117 117 ALA N N 15 130.1 0.3 . 1 . . . A 146 ALA N . 19872 1 1219 . 1 1 118 118 LEU HA H 1 4.06 0.02 . 1 . . . A 147 LEU HA . 19872 1 1220 . 1 1 118 118 LEU HB2 H 1 1.43 0.02 . 2 . . . A 147 LEU HB2 . 19872 1 1221 . 1 1 118 118 LEU HB3 H 1 1.27 0.02 . 2 . . . A 147 LEU HB3 . 19872 1 1222 . 1 1 118 118 LEU HG H 1 1.17 0.02 . 1 . . . A 147 LEU HG . 19872 1 1223 . 1 1 118 118 LEU HD11 H 1 0.36 0.02 . 1 . . . A 147 LEU HD11 . 19872 1 1224 . 1 1 118 118 LEU HD12 H 1 0.36 0.02 . 1 . . . A 147 LEU HD12 . 19872 1 1225 . 1 1 118 118 LEU HD13 H 1 0.36 0.02 . 1 . . . A 147 LEU HD13 . 19872 1 1226 . 1 1 118 118 LEU HD21 H 1 0.56 0.02 . 1 . . . A 147 LEU HD21 . 19872 1 1227 . 1 1 118 118 LEU HD22 H 1 0.56 0.02 . 1 . . . A 147 LEU HD22 . 19872 1 1228 . 1 1 118 118 LEU HD23 H 1 0.56 0.02 . 1 . . . A 147 LEU HD23 . 19872 1 1229 . 1 1 118 118 LEU C C 13 177.7 0.3 . 1 . . . A 147 LEU C . 19872 1 1230 . 1 1 118 118 LEU CA C 13 55.1 0.3 . 1 . . . A 147 LEU CA . 19872 1 1231 . 1 1 118 118 LEU CB C 13 40.4 0.3 . 1 . . . A 147 LEU CB . 19872 1 1232 . 1 1 118 118 LEU CG C 13 26.9 0.3 . 1 . . . A 147 LEU CG . 19872 1 1233 . 1 1 118 118 LEU CD1 C 13 24.1 0.3 . 1 . . . A 147 LEU CD1 . 19872 1 1234 . 1 1 118 118 LEU CD2 C 13 22.9 0.3 . 1 . . . A 147 LEU CD2 . 19872 1 1235 . 1 1 118 118 LEU N N 15 117.8 0.3 . 1 . . . A 147 LEU N . 19872 1 1236 . 1 1 119 119 LEU HA H 1 4.18 0.02 . 1 . . . A 148 LEU HA . 19872 1 1237 . 1 1 119 119 LEU HB2 H 1 1.50 0.02 . 2 . . . A 148 LEU HB2 . 19872 1 1238 . 1 1 119 119 LEU HB3 H 1 1.41 0.02 . 2 . . . A 148 LEU HB3 . 19872 1 1239 . 1 1 119 119 LEU HG H 1 1.39 0.02 . 1 . . . A 148 LEU HG . 19872 1 1240 . 1 1 119 119 LEU HD21 H 1 0.71 0.02 . 1 . . . A 148 LEU HD21 . 19872 1 1241 . 1 1 119 119 LEU HD22 H 1 0.71 0.02 . 1 . . . A 148 LEU HD22 . 19872 1 1242 . 1 1 119 119 LEU HD23 H 1 0.71 0.02 . 1 . . . A 148 LEU HD23 . 19872 1 1243 . 1 1 119 119 LEU C C 13 176.5 0.3 . 1 . . . A 148 LEU C . 19872 1 1244 . 1 1 119 119 LEU CA C 13 54.7 0.3 . 1 . . . A 148 LEU CA . 19872 1 1245 . 1 1 119 119 LEU CB C 13 42.0 0.3 . 1 . . . A 148 LEU CB . 19872 1 1246 . 1 1 119 119 LEU CG C 13 26.6 0.3 . 1 . . . A 148 LEU CG . 19872 1 1247 . 1 1 119 119 LEU CD1 C 13 24.6 0.3 . 1 . . . A 148 LEU CD1 . 19872 1 1248 . 1 1 119 119 LEU CD2 C 13 23.1 0.3 . 1 . . . A 148 LEU CD2 . 19872 1 1249 . 1 1 119 119 LEU N N 15 120.1 0.3 . 1 . . . A 148 LEU N . 19872 1 1250 . 1 1 120 120 ASP HA H 1 4.60 0.02 . 1 . . . A 149 ASP HA . 19872 1 1251 . 1 1 120 120 ASP HB2 H 1 2.69 0.02 . 2 . . . A 149 ASP HB2 . 19872 1 1252 . 1 1 120 120 ASP HB3 H 1 2.51 0.02 . 2 . . . A 149 ASP HB3 . 19872 1 1253 . 1 1 120 120 ASP C C 13 174.8 0.3 . 1 . . . A 149 ASP C . 19872 1 1254 . 1 1 120 120 ASP CA C 13 53.9 0.3 . 1 . . . A 149 ASP CA . 19872 1 1255 . 1 1 120 120 ASP CB C 13 40.6 0.3 . 1 . . . A 149 ASP CB . 19872 1 1256 . 1 1 120 120 ASP N N 15 121.9 0.3 . 1 . . . A 149 ASP N . 19872 1 1257 . 1 1 121 121 GLU HA H 1 4.02 0.02 . 1 . . . A 150 GLU HA . 19872 1 1258 . 1 1 121 121 GLU HB2 H 1 1.92 0.02 . 2 . . . A 150 GLU HB2 . 19872 1 1259 . 1 1 121 121 GLU HB3 H 1 1.77 0.02 . 2 . . . A 150 GLU HB3 . 19872 1 1260 . 1 1 121 121 GLU HG2 H 1 2.07 0.02 . 1 . . . A 150 GLU HG2 . 19872 1 1261 . 1 1 121 121 GLU C C 13 180.8 0.3 . 1 . . . A 150 GLU C . 19872 1 1262 . 1 1 121 121 GLU CA C 13 57.7 0.3 . 1 . . . A 150 GLU CA . 19872 1 1263 . 1 1 121 121 GLU CB C 13 31.0 0.3 . 1 . . . A 150 GLU CB . 19872 1 1264 . 1 1 121 121 GLU CG C 13 36.2 0.3 . 1 . . . A 150 GLU CG . 19872 1 1265 . 1 1 121 121 GLU N N 15 125.4 0.3 . 1 . . . A 150 GLU N . 19872 1 stop_ save_