data_11114 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11114 _Entry.Title ; The solution structure of the second thioredoxin-like domain of human Protein disulfide-isomerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 N. Tochio . . . 11114 2 S. Koshiba . . . 11114 3 M. Inoue . . . 11114 4 T. Kigawa . . . 11114 5 S. Yokoyama . . . 11114 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11114 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11114 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 11114 '15N chemical shifts' 109 11114 '1H chemical shifts' 784 11114 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 . . 2011-02-18 2010-02-19 original author . 11114 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5C 'BMRB Entry Tracking System' 11114 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11114 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The solution structure of the second thioredoxin-like domain of human Protein disulfide-isomerase ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 N. Tochio . . . 11114 1 2 S. Koshiba . . . 11114 1 3 M. Inoue . . . 11114 1 4 T. Kigawa . . . 11114 1 5 S. Yokoyama . . . 11114 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11114 _Assembly.ID 1 _Assembly.Name 'Protein disulfide-isomerase' _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 E.C.5.3.4.1 _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 'Thioredoxin like domain' 1 $entity_1 A . yes native no no . . . 11114 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1x5c . . . . . . 11114 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11114 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Thioredoxin like domain' _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 ; GSSGSSGPVKVLVGKNFEDV AFDEKKNVFVEFYAPWCGHC KQLAPIWDKLGETYKDHENI VIAKMDSTANEVEAVKVHSF PTLKFFPASADRTVIDYNGE RTLDGFKKFLESGGQSGPSS G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4302 . "Protein Dilsulfide Isomerase a' domain" . . . . . 90.91 115 99.09 99.09 5.16e-74 . . . . 11114 1 2 no PDB 1X5C . "The Solution Structure Of The Second Thioredoxin-Like Domain Of Human Protein Disulfide-Isomerase" . . . . . 100.00 121 100.00 100.00 2.11e-82 . . . . 11114 1 3 no PDB 3UEM . "Crystal Structure Of Human Pdi Bb'a' Domains" . . . . . 90.91 361 99.09 99.09 9.25e-72 . . . . 11114 1 4 no DBJ BAG53171 . "unnamed protein product [Homo sapiens]" . . . . . 90.91 185 99.09 99.09 7.93e-74 . . . . 11114 1 5 no DBJ BAG54732 . "unnamed protein product [Homo sapiens]" . . . . . 90.91 185 99.09 99.09 7.93e-74 . . . . 11114 1 6 no EMBL CAA30112 . "glutathione-insulin transhydrogenase (216 AA) [Homo sapiens]" . . . . . 90.91 216 98.18 99.09 3.71e-73 . . . . 11114 1 7 no GB AAH14504 . "P4HB protein, partial [Homo sapiens]" . . . . . 90.91 273 99.09 99.09 9.05e-73 . . . . 11114 1 8 no GB AIC63098 . "P4HB, partial [synthetic construct]" . . . . . 90.91 185 99.09 99.09 1.56e-73 . . . . 11114 1 9 no GB EAW89691 . "procollagen-proline, 2-oxoglutarate 4-dioxygenase (proline 4-hydroxylase), beta polypeptide, isoform CRA_b [Homo sapiens]" . . . . . 90.91 185 99.09 99.09 7.93e-74 . . . . 11114 1 10 no GB EAW89694 . "procollagen-proline, 2-oxoglutarate 4-dioxygenase (proline 4-hydroxylase), beta polypeptide, isoform CRA_b [Homo sapiens]" . . . . . 90.91 185 99.09 99.09 7.93e-74 . . . . 11114 1 11 no GB EAW89696 . "procollagen-proline, 2-oxoglutarate 4-dioxygenase (proline 4-hydroxylase), beta polypeptide, isoform CRA_d [Homo sapiens]" . . . . . 90.91 357 99.09 99.09 4.73e-72 . . . . 11114 1 12 no REF XP_008011468 . "PREDICTED: protein disulfide-isomerase isoform X2 [Chlorocebus sabaeus]" . . . . . 90.91 185 97.27 98.18 2.22e-72 . . . . 11114 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11114 1 2 . SER . 11114 1 3 . SER . 11114 1 4 . GLY . 11114 1 5 . SER . 11114 1 6 . SER . 11114 1 7 . GLY . 11114 1 8 . PRO . 11114 1 9 . VAL . 11114 1 10 . LYS . 11114 1 11 . VAL . 11114 1 12 . LEU . 11114 1 13 . VAL . 11114 1 14 . GLY . 11114 1 15 . LYS . 11114 1 16 . ASN . 11114 1 17 . PHE . 11114 1 18 . GLU . 11114 1 19 . ASP . 11114 1 20 . VAL . 11114 1 21 . ALA . 11114 1 22 . PHE . 11114 1 23 . ASP . 11114 1 24 . GLU . 11114 1 25 . LYS . 11114 1 26 . LYS . 11114 1 27 . ASN . 11114 1 28 . VAL . 11114 1 29 . PHE . 11114 1 30 . VAL . 11114 1 31 . GLU . 11114 1 32 . PHE . 11114 1 33 . TYR . 11114 1 34 . ALA . 11114 1 35 . PRO . 11114 1 36 . TRP . 11114 1 37 . CYS . 11114 1 38 . GLY . 11114 1 39 . HIS . 11114 1 40 . CYS . 11114 1 41 . LYS . 11114 1 42 . GLN . 11114 1 43 . LEU . 11114 1 44 . ALA . 11114 1 45 . PRO . 11114 1 46 . ILE . 11114 1 47 . TRP . 11114 1 48 . ASP . 11114 1 49 . LYS . 11114 1 50 . LEU . 11114 1 51 . GLY . 11114 1 52 . GLU . 11114 1 53 . THR . 11114 1 54 . TYR . 11114 1 55 . LYS . 11114 1 56 . ASP . 11114 1 57 . HIS . 11114 1 58 . GLU . 11114 1 59 . ASN . 11114 1 60 . ILE . 11114 1 61 . VAL . 11114 1 62 . ILE . 11114 1 63 . ALA . 11114 1 64 . LYS . 11114 1 65 . MET . 11114 1 66 . ASP . 11114 1 67 . SER . 11114 1 68 . THR . 11114 1 69 . ALA . 11114 1 70 . ASN . 11114 1 71 . GLU . 11114 1 72 . VAL . 11114 1 73 . GLU . 11114 1 74 . ALA . 11114 1 75 . VAL . 11114 1 76 . LYS . 11114 1 77 . VAL . 11114 1 78 . HIS . 11114 1 79 . SER . 11114 1 80 . PHE . 11114 1 81 . PRO . 11114 1 82 . THR . 11114 1 83 . LEU . 11114 1 84 . LYS . 11114 1 85 . PHE . 11114 1 86 . PHE . 11114 1 87 . PRO . 11114 1 88 . ALA . 11114 1 89 . SER . 11114 1 90 . ALA . 11114 1 91 . ASP . 11114 1 92 . ARG . 11114 1 93 . THR . 11114 1 94 . VAL . 11114 1 95 . ILE . 11114 1 96 . ASP . 11114 1 97 . TYR . 11114 1 98 . ASN . 11114 1 99 . GLY . 11114 1 100 . GLU . 11114 1 101 . ARG . 11114 1 102 . THR . 11114 1 103 . LEU . 11114 1 104 . ASP . 11114 1 105 . GLY . 11114 1 106 . PHE . 11114 1 107 . LYS . 11114 1 108 . LYS . 11114 1 109 . PHE . 11114 1 110 . LEU . 11114 1 111 . GLU . 11114 1 112 . SER . 11114 1 113 . GLY . 11114 1 114 . GLY . 11114 1 115 . GLN . 11114 1 116 . SER . 11114 1 117 . GLY . 11114 1 118 . PRO . 11114 1 119 . SER . 11114 1 120 . SER . 11114 1 121 . GLY . 11114 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 11114 1 . SER 2 2 11114 1 . SER 3 3 11114 1 . GLY 4 4 11114 1 . SER 5 5 11114 1 . SER 6 6 11114 1 . GLY 7 7 11114 1 . PRO 8 8 11114 1 . VAL 9 9 11114 1 . LYS 10 10 11114 1 . VAL 11 11 11114 1 . LEU 12 12 11114 1 . VAL 13 13 11114 1 . GLY 14 14 11114 1 . LYS 15 15 11114 1 . ASN 16 16 11114 1 . PHE 17 17 11114 1 . GLU 18 18 11114 1 . ASP 19 19 11114 1 . VAL 20 20 11114 1 . ALA 21 21 11114 1 . PHE 22 22 11114 1 . ASP 23 23 11114 1 . GLU 24 24 11114 1 . LYS 25 25 11114 1 . LYS 26 26 11114 1 . ASN 27 27 11114 1 . VAL 28 28 11114 1 . PHE 29 29 11114 1 . VAL 30 30 11114 1 . GLU 31 31 11114 1 . PHE 32 32 11114 1 . TYR 33 33 11114 1 . ALA 34 34 11114 1 . PRO 35 35 11114 1 . TRP 36 36 11114 1 . CYS 37 37 11114 1 . GLY 38 38 11114 1 . HIS 39 39 11114 1 . CYS 40 40 11114 1 . LYS 41 41 11114 1 . GLN 42 42 11114 1 . LEU 43 43 11114 1 . ALA 44 44 11114 1 . PRO 45 45 11114 1 . ILE 46 46 11114 1 . TRP 47 47 11114 1 . ASP 48 48 11114 1 . LYS 49 49 11114 1 . LEU 50 50 11114 1 . GLY 51 51 11114 1 . GLU 52 52 11114 1 . THR 53 53 11114 1 . TYR 54 54 11114 1 . LYS 55 55 11114 1 . ASP 56 56 11114 1 . HIS 57 57 11114 1 . GLU 58 58 11114 1 . ASN 59 59 11114 1 . ILE 60 60 11114 1 . VAL 61 61 11114 1 . ILE 62 62 11114 1 . ALA 63 63 11114 1 . LYS 64 64 11114 1 . MET 65 65 11114 1 . ASP 66 66 11114 1 . SER 67 67 11114 1 . THR 68 68 11114 1 . ALA 69 69 11114 1 . ASN 70 70 11114 1 . GLU 71 71 11114 1 . VAL 72 72 11114 1 . GLU 73 73 11114 1 . ALA 74 74 11114 1 . VAL 75 75 11114 1 . LYS 76 76 11114 1 . VAL 77 77 11114 1 . HIS 78 78 11114 1 . SER 79 79 11114 1 . PHE 80 80 11114 1 . PRO 81 81 11114 1 . THR 82 82 11114 1 . LEU 83 83 11114 1 . LYS 84 84 11114 1 . PHE 85 85 11114 1 . PHE 86 86 11114 1 . PRO 87 87 11114 1 . ALA 88 88 11114 1 . SER 89 89 11114 1 . ALA 90 90 11114 1 . ASP 91 91 11114 1 . ARG 92 92 11114 1 . THR 93 93 11114 1 . VAL 94 94 11114 1 . ILE 95 95 11114 1 . ASP 96 96 11114 1 . TYR 97 97 11114 1 . ASN 98 98 11114 1 . GLY 99 99 11114 1 . GLU 100 100 11114 1 . ARG 101 101 11114 1 . THR 102 102 11114 1 . LEU 103 103 11114 1 . ASP 104 104 11114 1 . GLY 105 105 11114 1 . PHE 106 106 11114 1 . LYS 107 107 11114 1 . LYS 108 108 11114 1 . PHE 109 109 11114 1 . LEU 110 110 11114 1 . GLU 111 111 11114 1 . SER 112 112 11114 1 . GLY 113 113 11114 1 . GLY 114 114 11114 1 . GLN 115 115 11114 1 . SER 116 116 11114 1 . GLY 117 117 11114 1 . PRO 118 118 11114 1 . SER 119 119 11114 1 . SER 120 120 11114 1 . GLY 121 121 11114 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 11114 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11114 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 11114 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040628-09 . . . . . . 11114 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11114 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2mM thioredoxin like domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O ; _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 'Thioredoxin like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 11114 1 2 d-Tris-HCl [U-2H] . . . . . buffer 20 . . mM . . . . 11114 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11114 1 4 d-DTT [U-2H] . . . . . salt 1 . . mM . . . . 11114 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11114 1 6 H2O . . . . . . solvent 90 . . % . . . . 11114 1 7 D2O . . . . . . solvent 10 . . % . . . . 11114 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11114 _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' 120 0.1 mM 11114 1 pH 7.0 0.05 pH 11114 1 pressure 1 0.001 atm 11114 1 temperature 296 0.1 K 11114 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11114 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11114 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11114 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11114 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11114 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11114 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11114 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11114 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11114 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11114 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9044 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11114 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11114 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11114 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11114 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11114 5 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 11114 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11114 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11114 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 11114 _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 '3D 15N-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11114 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11114 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11114 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11114 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11114 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11114 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11114 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-SEPARATED NOESY' 1 $sample_1 isotropic 11114 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11114 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11114 1 2 $NMRPipe . . 11114 1 3 $NMRView . . 11114 1 4 $KUJIRA . . 11114 1 5 $CYANA . . 11114 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 7 7 GLY HA2 H 1 4.135 0.030 . 1 . . . . 7 GLY HA2 . 11114 1 2 . 1 1 7 7 GLY HA3 H 1 4.135 0.030 . 1 . . . . 7 GLY HA3 . 11114 1 3 . 1 1 7 7 GLY CA C 13 44.775 0.300 . 1 . . . . 7 GLY CA . 11114 1 4 . 1 1 8 8 PRO HA H 1 4.354 0.030 . 1 . . . . 8 PRO HA . 11114 1 5 . 1 1 8 8 PRO HB2 H 1 2.080 0.030 . 2 . . . . 8 PRO HB2 . 11114 1 6 . 1 1 8 8 PRO HB3 H 1 1.799 0.030 . 2 . . . . 8 PRO HB3 . 11114 1 7 . 1 1 8 8 PRO HD2 H 1 3.704 0.030 . 2 . . . . 8 PRO HD2 . 11114 1 8 . 1 1 8 8 PRO HD3 H 1 3.535 0.030 . 2 . . . . 8 PRO HD3 . 11114 1 9 . 1 1 8 8 PRO HG2 H 1 1.986 0.030 . 2 . . . . 8 PRO HG2 . 11114 1 10 . 1 1 8 8 PRO HG3 H 1 1.851 0.030 . 2 . . . . 8 PRO HG3 . 11114 1 11 . 1 1 8 8 PRO C C 13 176.266 0.300 . 1 . . . . 8 PRO C . 11114 1 12 . 1 1 8 8 PRO CA C 13 64.313 0.300 . 1 . . . . 8 PRO CA . 11114 1 13 . 1 1 8 8 PRO CB C 13 32.025 0.300 . 1 . . . . 8 PRO CB . 11114 1 14 . 1 1 8 8 PRO CD C 13 49.700 0.300 . 1 . . . . 8 PRO CD . 11114 1 15 . 1 1 8 8 PRO CG C 13 27.098 0.300 . 1 . . . . 8 PRO CG . 11114 1 16 . 1 1 9 9 VAL H H 1 7.660 0.030 . 1 . . . . 9 VAL H . 11114 1 17 . 1 1 9 9 VAL HA H 1 4.002 0.030 . 1 . . . . 9 VAL HA . 11114 1 18 . 1 1 9 9 VAL HB H 1 1.951 0.030 . 1 . . . . 9 VAL HB . 11114 1 19 . 1 1 9 9 VAL HG11 H 1 0.835 0.030 . 1 . . . . 9 VAL HG1 . 11114 1 20 . 1 1 9 9 VAL HG12 H 1 0.835 0.030 . 1 . . . . 9 VAL HG1 . 11114 1 21 . 1 1 9 9 VAL HG13 H 1 0.835 0.030 . 1 . . . . 9 VAL HG1 . 11114 1 22 . 1 1 9 9 VAL HG21 H 1 0.868 0.030 . 1 . . . . 9 VAL HG2 . 11114 1 23 . 1 1 9 9 VAL HG22 H 1 0.868 0.030 . 1 . . . . 9 VAL HG2 . 11114 1 24 . 1 1 9 9 VAL HG23 H 1 0.868 0.030 . 1 . . . . 9 VAL HG2 . 11114 1 25 . 1 1 9 9 VAL C C 13 175.577 0.300 . 1 . . . . 9 VAL C . 11114 1 26 . 1 1 9 9 VAL CA C 13 61.813 0.300 . 1 . . . . 9 VAL CA . 11114 1 27 . 1 1 9 9 VAL CB C 13 32.938 0.300 . 1 . . . . 9 VAL CB . 11114 1 28 . 1 1 9 9 VAL CG1 C 13 22.841 0.300 . 2 . . . . 9 VAL CG1 . 11114 1 29 . 1 1 9 9 VAL CG2 C 13 21.424 0.300 . 2 . . . . 9 VAL CG2 . 11114 1 30 . 1 1 9 9 VAL N N 15 119.032 0.300 . 1 . . . . 9 VAL N . 11114 1 31 . 1 1 10 10 LYS H H 1 8.810 0.030 . 1 . . . . 10 LYS H . 11114 1 32 . 1 1 10 10 LYS HA H 1 4.206 0.030 . 1 . . . . 10 LYS HA . 11114 1 33 . 1 1 10 10 LYS HB2 H 1 1.784 0.030 . 2 . . . . 10 LYS HB2 . 11114 1 34 . 1 1 10 10 LYS HB3 H 1 1.683 0.030 . 2 . . . . 10 LYS HB3 . 11114 1 35 . 1 1 10 10 LYS HE2 H 1 2.920 0.030 . 2 . . . . 10 LYS HE2 . 11114 1 36 . 1 1 10 10 LYS HG2 H 1 1.402 0.030 . 2 . . . . 10 LYS HG2 . 11114 1 37 . 1 1 10 10 LYS HG3 H 1 1.345 0.030 . 2 . . . . 10 LYS HG3 . 11114 1 38 . 1 1 10 10 LYS C C 13 175.111 0.300 . 1 . . . . 10 LYS C . 11114 1 39 . 1 1 10 10 LYS CA C 13 56.348 0.300 . 1 . . . . 10 LYS CA . 11114 1 40 . 1 1 10 10 LYS CB C 13 32.542 0.300 . 1 . . . . 10 LYS CB . 11114 1 41 . 1 1 10 10 LYS CD C 13 28.764 0.300 . 1 . . . . 10 LYS CD . 11114 1 42 . 1 1 10 10 LYS CE C 13 42.202 0.300 . 1 . . . . 10 LYS CE . 11114 1 43 . 1 1 10 10 LYS CG C 13 24.922 0.300 . 1 . . . . 10 LYS CG . 11114 1 44 . 1 1 10 10 LYS N N 15 129.926 0.300 . 1 . . . . 10 LYS N . 11114 1 45 . 1 1 11 11 VAL H H 1 8.610 0.030 . 1 . . . . 11 VAL H . 11114 1 46 . 1 1 11 11 VAL HA H 1 4.178 0.030 . 1 . . . . 11 VAL HA . 11114 1 47 . 1 1 11 11 VAL HB H 1 1.978 0.030 . 1 . . . . 11 VAL HB . 11114 1 48 . 1 1 11 11 VAL HG11 H 1 1.005 0.030 . 1 . . . . 11 VAL HG1 . 11114 1 49 . 1 1 11 11 VAL HG12 H 1 1.005 0.030 . 1 . . . . 11 VAL HG1 . 11114 1 50 . 1 1 11 11 VAL HG13 H 1 1.005 0.030 . 1 . . . . 11 VAL HG1 . 11114 1 51 . 1 1 11 11 VAL HG21 H 1 0.917 0.030 . 1 . . . . 11 VAL HG2 . 11114 1 52 . 1 1 11 11 VAL HG22 H 1 0.917 0.030 . 1 . . . . 11 VAL HG2 . 11114 1 53 . 1 1 11 11 VAL HG23 H 1 0.917 0.030 . 1 . . . . 11 VAL HG2 . 11114 1 54 . 1 1 11 11 VAL C C 13 176.165 0.300 . 1 . . . . 11 VAL C . 11114 1 55 . 1 1 11 11 VAL CA C 13 63.325 0.300 . 1 . . . . 11 VAL CA . 11114 1 56 . 1 1 11 11 VAL CB C 13 32.274 0.300 . 1 . . . . 11 VAL CB . 11114 1 57 . 1 1 11 11 VAL CG1 C 13 22.015 0.300 . 2 . . . . 11 VAL CG1 . 11114 1 58 . 1 1 11 11 VAL CG2 C 13 21.262 0.300 . 2 . . . . 11 VAL CG2 . 11114 1 59 . 1 1 11 11 VAL N N 15 127.072 0.300 . 1 . . . . 11 VAL N . 11114 1 60 . 1 1 12 12 LEU H H 1 8.959 0.030 . 1 . . . . 12 LEU H . 11114 1 61 . 1 1 12 12 LEU HA H 1 5.013 0.030 . 1 . . . . 12 LEU HA . 11114 1 62 . 1 1 12 12 LEU HB2 H 1 1.730 0.030 . 2 . . . . 12 LEU HB2 . 11114 1 63 . 1 1 12 12 LEU HB3 H 1 1.399 0.030 . 2 . . . . 12 LEU HB3 . 11114 1 64 . 1 1 12 12 LEU HD11 H 1 0.554 0.030 . 1 . . . . 12 LEU HD1 . 11114 1 65 . 1 1 12 12 LEU HD12 H 1 0.554 0.030 . 1 . . . . 12 LEU HD1 . 11114 1 66 . 1 1 12 12 LEU HD13 H 1 0.554 0.030 . 1 . . . . 12 LEU HD1 . 11114 1 67 . 1 1 12 12 LEU HD21 H 1 0.619 0.030 . 1 . . . . 12 LEU HD2 . 11114 1 68 . 1 1 12 12 LEU HD22 H 1 0.619 0.030 . 1 . . . . 12 LEU HD2 . 11114 1 69 . 1 1 12 12 LEU HD23 H 1 0.619 0.030 . 1 . . . . 12 LEU HD2 . 11114 1 70 . 1 1 12 12 LEU HG H 1 1.564 0.030 . 1 . . . . 12 LEU HG . 11114 1 71 . 1 1 12 12 LEU C C 13 174.889 0.300 . 1 . . . . 12 LEU C . 11114 1 72 . 1 1 12 12 LEU CA C 13 52.896 0.300 . 1 . . . . 12 LEU CA . 11114 1 73 . 1 1 12 12 LEU CB C 13 43.460 0.300 . 1 . . . . 12 LEU CB . 11114 1 74 . 1 1 12 12 LEU CD1 C 13 26.449 0.300 . 2 . . . . 12 LEU CD1 . 11114 1 75 . 1 1 12 12 LEU CD2 C 13 22.515 0.300 . 2 . . . . 12 LEU CD2 . 11114 1 76 . 1 1 12 12 LEU CG C 13 27.073 0.300 . 1 . . . . 12 LEU CG . 11114 1 77 . 1 1 12 12 LEU N N 15 128.334 0.300 . 1 . . . . 12 LEU N . 11114 1 78 . 1 1 13 13 VAL H H 1 8.836 0.030 . 1 . . . . 13 VAL H . 11114 1 79 . 1 1 13 13 VAL HA H 1 4.391 0.030 . 1 . . . . 13 VAL HA . 11114 1 80 . 1 1 13 13 VAL HB H 1 2.447 0.030 . 1 . . . . 13 VAL HB . 11114 1 81 . 1 1 13 13 VAL HG11 H 1 0.914 0.030 . 1 . . . . 13 VAL HG1 . 11114 1 82 . 1 1 13 13 VAL HG12 H 1 0.914 0.030 . 1 . . . . 13 VAL HG1 . 11114 1 83 . 1 1 13 13 VAL HG13 H 1 0.914 0.030 . 1 . . . . 13 VAL HG1 . 11114 1 84 . 1 1 13 13 VAL HG21 H 1 0.799 0.030 . 1 . . . . 13 VAL HG2 . 11114 1 85 . 1 1 13 13 VAL HG22 H 1 0.799 0.030 . 1 . . . . 13 VAL HG2 . 11114 1 86 . 1 1 13 13 VAL HG23 H 1 0.799 0.030 . 1 . . . . 13 VAL HG2 . 11114 1 87 . 1 1 13 13 VAL C C 13 176.367 0.300 . 1 . . . . 13 VAL C . 11114 1 88 . 1 1 13 13 VAL CA C 13 59.013 0.300 . 1 . . . . 13 VAL CA . 11114 1 89 . 1 1 13 13 VAL CB C 13 35.436 0.300 . 1 . . . . 13 VAL CB . 11114 1 90 . 1 1 13 13 VAL CG1 C 13 22.606 0.300 . 2 . . . . 13 VAL CG1 . 11114 1 91 . 1 1 13 13 VAL CG2 C 13 18.708 0.300 . 2 . . . . 13 VAL CG2 . 11114 1 92 . 1 1 13 13 VAL N N 15 113.956 0.300 . 1 . . . . 13 VAL N . 11114 1 93 . 1 1 14 14 GLY H H 1 8.360 0.030 . 1 . . . . 14 GLY H . 11114 1 94 . 1 1 14 14 GLY HA2 H 1 4.139 0.030 . 2 . . . . 14 GLY HA2 . 11114 1 95 . 1 1 14 14 GLY HA3 H 1 3.538 0.030 . 2 . . . . 14 GLY HA3 . 11114 1 96 . 1 1 14 14 GLY C C 13 176.793 0.300 . 1 . . . . 14 GLY C . 11114 1 97 . 1 1 14 14 GLY CA C 13 48.206 0.300 . 1 . . . . 14 GLY CA . 11114 1 98 . 1 1 14 14 GLY N N 15 107.825 0.300 . 1 . . . . 14 GLY N . 11114 1 99 . 1 1 15 15 LYS H H 1 8.173 0.030 . 1 . . . . 15 LYS H . 11114 1 100 . 1 1 15 15 LYS HA H 1 4.234 0.030 . 1 . . . . 15 LYS HA . 11114 1 101 . 1 1 15 15 LYS HB2 H 1 1.865 0.030 . 2 . . . . 15 LYS HB2 . 11114 1 102 . 1 1 15 15 LYS HB3 H 1 1.763 0.030 . 2 . . . . 15 LYS HB3 . 11114 1 103 . 1 1 15 15 LYS HD2 H 1 1.694 0.030 . 2 . . . . 15 LYS HD2 . 11114 1 104 . 1 1 15 15 LYS HE2 H 1 2.998 0.030 . 2 . . . . 15 LYS HE2 . 11114 1 105 . 1 1 15 15 LYS HG2 H 1 1.458 0.030 . 1 . . . . 15 LYS HG2 . 11114 1 106 . 1 1 15 15 LYS HG3 H 1 1.458 0.030 . 1 . . . . 15 LYS HG3 . 11114 1 107 . 1 1 15 15 LYS C C 13 177.056 0.300 . 1 . . . . 15 LYS C . 11114 1 108 . 1 1 15 15 LYS CA C 13 58.531 0.300 . 1 . . . . 15 LYS CA . 11114 1 109 . 1 1 15 15 LYS CB C 13 32.873 0.300 . 1 . . . . 15 LYS CB . 11114 1 110 . 1 1 15 15 LYS CD C 13 29.121 0.300 . 1 . . . . 15 LYS CD . 11114 1 111 . 1 1 15 15 LYS CE C 13 42.125 0.300 . 1 . . . . 15 LYS CE . 11114 1 112 . 1 1 15 15 LYS CG C 13 24.791 0.300 . 1 . . . . 15 LYS CG . 11114 1 113 . 1 1 15 15 LYS N N 15 116.461 0.300 . 1 . . . . 15 LYS N . 11114 1 114 . 1 1 16 16 ASN H H 1 7.473 0.030 . 1 . . . . 16 ASN H . 11114 1 115 . 1 1 16 16 ASN HA H 1 5.095 0.030 . 1 . . . . 16 ASN HA . 11114 1 116 . 1 1 16 16 ASN HB2 H 1 3.240 0.030 . 2 . . . . 16 ASN HB2 . 11114 1 117 . 1 1 16 16 ASN HB3 H 1 2.662 0.030 . 2 . . . . 16 ASN HB3 . 11114 1 118 . 1 1 16 16 ASN HD21 H 1 7.512 0.030 . 2 . . . . 16 ASN HD21 . 11114 1 119 . 1 1 16 16 ASN HD22 H 1 6.466 0.030 . 2 . . . . 16 ASN HD22 . 11114 1 120 . 1 1 16 16 ASN C C 13 176.043 0.300 . 1 . . . . 16 ASN C . 11114 1 121 . 1 1 16 16 ASN CA C 13 52.140 0.300 . 1 . . . . 16 ASN CA . 11114 1 122 . 1 1 16 16 ASN CB C 13 39.402 0.300 . 1 . . . . 16 ASN CB . 11114 1 123 . 1 1 16 16 ASN N N 15 114.437 0.300 . 1 . . . . 16 ASN N . 11114 1 124 . 1 1 16 16 ASN ND2 N 15 106.265 0.300 . 1 . . . . 16 ASN ND2 . 11114 1 125 . 1 1 17 17 PHE H H 1 7.805 0.030 . 1 . . . . 17 PHE H . 11114 1 126 . 1 1 17 17 PHE HA H 1 3.753 0.030 . 1 . . . . 17 PHE HA . 11114 1 127 . 1 1 17 17 PHE HB2 H 1 3.250 0.030 . 2 . . . . 17 PHE HB2 . 11114 1 128 . 1 1 17 17 PHE HB3 H 1 2.914 0.030 . 2 . . . . 17 PHE HB3 . 11114 1 129 . 1 1 17 17 PHE HD1 H 1 7.027 0.030 . 1 . . . . 17 PHE HD1 . 11114 1 130 . 1 1 17 17 PHE HD2 H 1 7.027 0.030 . 1 . . . . 17 PHE HD2 . 11114 1 131 . 1 1 17 17 PHE HE1 H 1 6.850 0.030 . 1 . . . . 17 PHE HE1 . 11114 1 132 . 1 1 17 17 PHE HE2 H 1 6.850 0.030 . 1 . . . . 17 PHE HE2 . 11114 1 133 . 1 1 17 17 PHE HZ H 1 7.210 0.030 . 1 . . . . 17 PHE HZ . 11114 1 134 . 1 1 17 17 PHE C C 13 176.124 0.300 . 1 . . . . 17 PHE C . 11114 1 135 . 1 1 17 17 PHE CA C 13 63.428 0.300 . 1 . . . . 17 PHE CA . 11114 1 136 . 1 1 17 17 PHE CB C 13 39.787 0.300 . 1 . . . . 17 PHE CB . 11114 1 137 . 1 1 17 17 PHE CD1 C 13 132.376 0.300 . 1 . . . . 17 PHE CD1 . 11114 1 138 . 1 1 17 17 PHE CD2 C 13 132.376 0.300 . 1 . . . . 17 PHE CD2 . 11114 1 139 . 1 1 17 17 PHE CE1 C 13 130.206 0.300 . 1 . . . . 17 PHE CE1 . 11114 1 140 . 1 1 17 17 PHE CE2 C 13 130.206 0.300 . 1 . . . . 17 PHE CE2 . 11114 1 141 . 1 1 17 17 PHE CZ C 13 128.619 0.300 . 1 . . . . 17 PHE CZ . 11114 1 142 . 1 1 17 17 PHE N N 15 120.027 0.300 . 1 . . . . 17 PHE N . 11114 1 143 . 1 1 18 18 GLU H H 1 8.941 0.030 . 1 . . . . 18 GLU H . 11114 1 144 . 1 1 18 18 GLU HA H 1 3.470 0.030 . 1 . . . . 18 GLU HA . 11114 1 145 . 1 1 18 18 GLU HB2 H 1 2.192 0.030 . 2 . . . . 18 GLU HB2 . 11114 1 146 . 1 1 18 18 GLU HB3 H 1 2.102 0.030 . 2 . . . . 18 GLU HB3 . 11114 1 147 . 1 1 18 18 GLU HG2 H 1 2.728 0.030 . 2 . . . . 18 GLU HG2 . 11114 1 148 . 1 1 18 18 GLU HG3 H 1 2.332 0.030 . 2 . . . . 18 GLU HG3 . 11114 1 149 . 1 1 18 18 GLU C C 13 178.596 0.300 . 1 . . . . 18 GLU C . 11114 1 150 . 1 1 18 18 GLU CA C 13 60.656 0.300 . 1 . . . . 18 GLU CA . 11114 1 151 . 1 1 18 18 GLU CB C 13 29.324 0.300 . 1 . . . . 18 GLU CB . 11114 1 152 . 1 1 18 18 GLU CG C 13 37.892 0.300 . 1 . . . . 18 GLU CG . 11114 1 153 . 1 1 18 18 GLU N N 15 117.381 0.300 . 1 . . . . 18 GLU N . 11114 1 154 . 1 1 19 19 ASP H H 1 7.914 0.030 . 1 . . . . 19 ASP H . 11114 1 155 . 1 1 19 19 ASP HA H 1 4.171 0.030 . 1 . . . . 19 ASP HA . 11114 1 156 . 1 1 19 19 ASP HB2 H 1 2.643 0.030 . 2 . . . . 19 ASP HB2 . 11114 1 157 . 1 1 19 19 ASP HB3 H 1 2.580 0.030 . 2 . . . . 19 ASP HB3 . 11114 1 158 . 1 1 19 19 ASP C C 13 177.259 0.300 . 1 . . . . 19 ASP C . 11114 1 159 . 1 1 19 19 ASP CA C 13 56.575 0.300 . 1 . . . . 19 ASP CA . 11114 1 160 . 1 1 19 19 ASP CB C 13 40.824 0.300 . 1 . . . . 19 ASP CB . 11114 1 161 . 1 1 19 19 ASP N N 15 117.642 0.300 . 1 . . . . 19 ASP N . 11114 1 162 . 1 1 20 20 VAL H H 1 7.214 0.030 . 1 . . . . 20 VAL H . 11114 1 163 . 1 1 20 20 VAL HA H 1 3.868 0.030 . 1 . . . . 20 VAL HA . 11114 1 164 . 1 1 20 20 VAL HB H 1 1.550 0.030 . 1 . . . . 20 VAL HB . 11114 1 165 . 1 1 20 20 VAL HG11 H 1 0.842 0.030 . 1 . . . . 20 VAL HG1 . 11114 1 166 . 1 1 20 20 VAL HG12 H 1 0.842 0.030 . 1 . . . . 20 VAL HG1 . 11114 1 167 . 1 1 20 20 VAL HG13 H 1 0.842 0.030 . 1 . . . . 20 VAL HG1 . 11114 1 168 . 1 1 20 20 VAL HG21 H 1 0.614 0.030 . 1 . . . . 20 VAL HG2 . 11114 1 169 . 1 1 20 20 VAL HG22 H 1 0.614 0.030 . 1 . . . . 20 VAL HG2 . 11114 1 170 . 1 1 20 20 VAL HG23 H 1 0.614 0.030 . 1 . . . . 20 VAL HG2 . 11114 1 171 . 1 1 20 20 VAL C C 13 177.054 0.300 . 1 . . . . 20 VAL C . 11114 1 172 . 1 1 20 20 VAL CA C 13 64.157 0.300 . 1 . . . . 20 VAL CA . 11114 1 173 . 1 1 20 20 VAL CB C 13 32.793 0.300 . 1 . . . . 20 VAL CB . 11114 1 174 . 1 1 20 20 VAL CG1 C 13 21.456 0.300 . 2 . . . . 20 VAL CG1 . 11114 1 175 . 1 1 20 20 VAL CG2 C 13 20.742 0.300 . 2 . . . . 20 VAL CG2 . 11114 1 176 . 1 1 20 20 VAL N N 15 116.021 0.300 . 1 . . . . 20 VAL N . 11114 1 177 . 1 1 21 21 ALA H H 1 8.276 0.030 . 1 . . . . 21 ALA H . 11114 1 178 . 1 1 21 21 ALA HA H 1 3.109 0.030 . 1 . . . . 21 ALA HA . 11114 1 179 . 1 1 21 21 ALA HB1 H 1 -0.747 0.030 . 1 . . . . 21 ALA HB . 11114 1 180 . 1 1 21 21 ALA HB2 H 1 -0.747 0.030 . 1 . . . . 21 ALA HB . 11114 1 181 . 1 1 21 21 ALA HB3 H 1 -0.747 0.030 . 1 . . . . 21 ALA HB . 11114 1 182 . 1 1 21 21 ALA CA C 13 55.127 0.300 . 1 . . . . 21 ALA CA . 11114 1 183 . 1 1 21 21 ALA CB C 13 16.791 0.300 . 1 . . . . 21 ALA CB . 11114 1 184 . 1 1 22 22 PHE H H 1 7.067 0.030 . 1 . . . . 22 PHE H . 11114 1 185 . 1 1 22 22 PHE HA H 1 5.044 0.030 . 1 . . . . 22 PHE HA . 11114 1 186 . 1 1 22 22 PHE HB2 H 1 3.431 0.030 . 2 . . . . 22 PHE HB2 . 11114 1 187 . 1 1 22 22 PHE HB3 H 1 2.897 0.030 . 2 . . . . 22 PHE HB3 . 11114 1 188 . 1 1 22 22 PHE HD1 H 1 7.196 0.030 . 1 . . . . 22 PHE HD1 . 11114 1 189 . 1 1 22 22 PHE HD2 H 1 7.196 0.030 . 1 . . . . 22 PHE HD2 . 11114 1 190 . 1 1 22 22 PHE HE1 H 1 7.232 0.030 . 1 . . . . 22 PHE HE1 . 11114 1 191 . 1 1 22 22 PHE HE2 H 1 7.232 0.030 . 1 . . . . 22 PHE HE2 . 11114 1 192 . 1 1 22 22 PHE HZ H 1 7.158 0.030 . 1 . . . . 22 PHE HZ . 11114 1 193 . 1 1 22 22 PHE CA C 13 56.244 0.300 . 1 . . . . 22 PHE CA . 11114 1 194 . 1 1 22 22 PHE CB C 13 36.617 0.300 . 1 . . . . 22 PHE CB . 11114 1 195 . 1 1 22 22 PHE CD1 C 13 131.042 0.300 . 1 . . . . 22 PHE CD1 . 11114 1 196 . 1 1 22 22 PHE CD2 C 13 131.042 0.300 . 1 . . . . 22 PHE CD2 . 11114 1 197 . 1 1 22 22 PHE CE1 C 13 131.112 0.300 . 1 . . . . 22 PHE CE1 . 11114 1 198 . 1 1 22 22 PHE CE2 C 13 131.112 0.300 . 1 . . . . 22 PHE CE2 . 11114 1 199 . 1 1 22 22 PHE CZ C 13 127.319 0.300 . 1 . . . . 22 PHE CZ . 11114 1 200 . 1 1 22 22 PHE N N 15 110.364 0.300 . 1 . . . . 22 PHE N . 11114 1 201 . 1 1 23 23 ASP H H 1 6.462 0.030 . 1 . . . . 23 ASP H . 11114 1 202 . 1 1 23 23 ASP HA H 1 4.416 0.030 . 1 . . . . 23 ASP HA . 11114 1 203 . 1 1 23 23 ASP HB2 H 1 2.742 0.030 . 2 . . . . 23 ASP HB2 . 11114 1 204 . 1 1 23 23 ASP HB3 H 1 2.616 0.030 . 2 . . . . 23 ASP HB3 . 11114 1 205 . 1 1 23 23 ASP CA C 13 54.354 0.300 . 1 . . . . 23 ASP CA . 11114 1 206 . 1 1 23 23 ASP CB C 13 41.758 0.300 . 1 . . . . 23 ASP CB . 11114 1 207 . 1 1 24 24 GLU H H 1 9.071 0.030 . 1 . . . . 24 GLU H . 11114 1 208 . 1 1 24 24 GLU HA H 1 4.160 0.030 . 1 . . . . 24 GLU HA . 11114 1 209 . 1 1 24 24 GLU HB2 H 1 1.989 0.030 . 1 . . . . 24 GLU HB2 . 11114 1 210 . 1 1 24 24 GLU HB3 H 1 1.989 0.030 . 1 . . . . 24 GLU HB3 . 11114 1 211 . 1 1 24 24 GLU HG2 H 1 2.316 0.030 . 2 . . . . 24 GLU HG2 . 11114 1 212 . 1 1 24 24 GLU HG3 H 1 2.195 0.030 . 2 . . . . 24 GLU HG3 . 11114 1 213 . 1 1 24 24 GLU C C 13 175.760 0.300 . 1 . . . . 24 GLU C . 11114 1 214 . 1 1 24 24 GLU CA C 13 57.911 0.300 . 1 . . . . 24 GLU CA . 11114 1 215 . 1 1 24 24 GLU CB C 13 29.455 0.300 . 1 . . . . 24 GLU CB . 11114 1 216 . 1 1 24 24 GLU CG C 13 35.926 0.300 . 1 . . . . 24 GLU CG . 11114 1 217 . 1 1 25 25 LYS H H 1 8.696 0.030 . 1 . . . . 25 LYS H . 11114 1 218 . 1 1 25 25 LYS HA H 1 4.339 0.030 . 1 . . . . 25 LYS HA . 11114 1 219 . 1 1 25 25 LYS HB2 H 1 1.890 0.030 . 2 . . . . 25 LYS HB2 . 11114 1 220 . 1 1 25 25 LYS HD2 H 1 1.685 0.030 . 2 . . . . 25 LYS HD2 . 11114 1 221 . 1 1 25 25 LYS HE2 H 1 2.904 0.030 . 2 . . . . 25 LYS HE2 . 11114 1 222 . 1 1 25 25 LYS HG2 H 1 1.371 0.030 . 2 . . . . 25 LYS HG2 . 11114 1 223 . 1 1 25 25 LYS HG3 H 1 1.475 0.030 . 2 . . . . 25 LYS HG3 . 11114 1 224 . 1 1 25 25 LYS C C 13 177.380 0.300 . 1 . . . . 25 LYS C . 11114 1 225 . 1 1 25 25 LYS CA C 13 55.463 0.300 . 1 . . . . 25 LYS CA . 11114 1 226 . 1 1 25 25 LYS CB C 13 33.006 0.300 . 1 . . . . 25 LYS CB . 11114 1 227 . 1 1 25 25 LYS CD C 13 28.497 0.300 . 1 . . . . 25 LYS CD . 11114 1 228 . 1 1 25 25 LYS CE C 13 41.987 0.300 . 1 . . . . 25 LYS CE . 11114 1 229 . 1 1 25 25 LYS CG C 13 25.036 0.300 . 1 . . . . 25 LYS CG . 11114 1 230 . 1 1 25 25 LYS N N 15 115.722 0.300 . 1 . . . . 25 LYS N . 11114 1 231 . 1 1 26 26 LYS H H 1 7.372 0.030 . 1 . . . . 26 LYS H . 11114 1 232 . 1 1 26 26 LYS HA H 1 4.940 0.030 . 1 . . . . 26 LYS HA . 11114 1 233 . 1 1 26 26 LYS HB2 H 1 1.500 0.030 . 2 . . . . 26 LYS HB2 . 11114 1 234 . 1 1 26 26 LYS HB3 H 1 1.419 0.030 . 2 . . . . 26 LYS HB3 . 11114 1 235 . 1 1 26 26 LYS HD2 H 1 1.650 0.030 . 2 . . . . 26 LYS HD2 . 11114 1 236 . 1 1 26 26 LYS HD3 H 1 1.368 0.030 . 2 . . . . 26 LYS HD3 . 11114 1 237 . 1 1 26 26 LYS HE2 H 1 2.882 0.030 . 1 . . . . 26 LYS HE2 . 11114 1 238 . 1 1 26 26 LYS HE3 H 1 2.882 0.030 . 1 . . . . 26 LYS HE3 . 11114 1 239 . 1 1 26 26 LYS HG2 H 1 1.375 0.030 . 2 . . . . 26 LYS HG2 . 11114 1 240 . 1 1 26 26 LYS HG3 H 1 1.114 0.030 . 2 . . . . 26 LYS HG3 . 11114 1 241 . 1 1 26 26 LYS C C 13 173.980 0.300 . 1 . . . . 26 LYS C . 11114 1 242 . 1 1 26 26 LYS CA C 13 53.355 0.300 . 1 . . . . 26 LYS CA . 11114 1 243 . 1 1 26 26 LYS CB C 13 36.294 0.300 . 1 . . . . 26 LYS CB . 11114 1 244 . 1 1 26 26 LYS CD C 13 28.882 0.300 . 1 . . . . 26 LYS CD . 11114 1 245 . 1 1 26 26 LYS CE C 13 42.641 0.300 . 1 . . . . 26 LYS CE . 11114 1 246 . 1 1 26 26 LYS CG C 13 24.408 0.300 . 1 . . . . 26 LYS CG . 11114 1 247 . 1 1 26 26 LYS N N 15 116.614 0.300 . 1 . . . . 26 LYS N . 11114 1 248 . 1 1 27 27 ASN H H 1 9.037 0.030 . 1 . . . . 27 ASN H . 11114 1 249 . 1 1 27 27 ASN HA H 1 4.797 0.030 . 1 . . . . 27 ASN HA . 11114 1 250 . 1 1 27 27 ASN HB2 H 1 2.769 0.030 . 2 . . . . 27 ASN HB2 . 11114 1 251 . 1 1 27 27 ASN HB3 H 1 2.526 0.030 . 2 . . . . 27 ASN HB3 . 11114 1 252 . 1 1 27 27 ASN HD21 H 1 7.577 0.030 . 2 . . . . 27 ASN HD21 . 11114 1 253 . 1 1 27 27 ASN HD22 H 1 7.039 0.030 . 2 . . . . 27 ASN HD22 . 11114 1 254 . 1 1 27 27 ASN C C 13 173.146 0.300 . 1 . . . . 27 ASN C . 11114 1 255 . 1 1 27 27 ASN CA C 13 52.129 0.300 . 1 . . . . 27 ASN CA . 11114 1 256 . 1 1 27 27 ASN CB C 13 41.035 0.300 . 1 . . . . 27 ASN CB . 11114 1 257 . 1 1 27 27 ASN N N 15 122.099 0.300 . 1 . . . . 27 ASN N . 11114 1 258 . 1 1 27 27 ASN ND2 N 15 119.200 0.300 . 1 . . . . 27 ASN ND2 . 11114 1 259 . 1 1 28 28 VAL H H 1 8.076 0.030 . 1 . . . . 28 VAL H . 11114 1 260 . 1 1 28 28 VAL HA H 1 4.859 0.030 . 1 . . . . 28 VAL HA . 11114 1 261 . 1 1 28 28 VAL HB H 1 2.058 0.030 . 1 . . . . 28 VAL HB . 11114 1 262 . 1 1 28 28 VAL HG11 H 1 0.530 0.030 . 1 . . . . 28 VAL HG1 . 11114 1 263 . 1 1 28 28 VAL HG12 H 1 0.530 0.030 . 1 . . . . 28 VAL HG1 . 11114 1 264 . 1 1 28 28 VAL HG13 H 1 0.530 0.030 . 1 . . . . 28 VAL HG1 . 11114 1 265 . 1 1 28 28 VAL HG21 H 1 0.815 0.030 . 1 . . . . 28 VAL HG2 . 11114 1 266 . 1 1 28 28 VAL HG22 H 1 0.815 0.030 . 1 . . . . 28 VAL HG2 . 11114 1 267 . 1 1 28 28 VAL HG23 H 1 0.815 0.030 . 1 . . . . 28 VAL HG2 . 11114 1 268 . 1 1 28 28 VAL C C 13 173.754 0.300 . 1 . . . . 28 VAL C . 11114 1 269 . 1 1 28 28 VAL CA C 13 61.451 0.300 . 1 . . . . 28 VAL CA . 11114 1 270 . 1 1 28 28 VAL CB C 13 33.021 0.300 . 1 . . . . 28 VAL CB . 11114 1 271 . 1 1 28 28 VAL CG1 C 13 20.562 0.300 . 2 . . . . 28 VAL CG1 . 11114 1 272 . 1 1 28 28 VAL CG2 C 13 20.857 0.300 . 2 . . . . 28 VAL CG2 . 11114 1 273 . 1 1 28 28 VAL N N 15 124.298 0.300 . 1 . . . . 28 VAL N . 11114 1 274 . 1 1 29 29 PHE H H 1 9.682 0.030 . 1 . . . . 29 PHE H . 11114 1 275 . 1 1 29 29 PHE HA H 1 6.186 0.030 . 1 . . . . 29 PHE HA . 11114 1 276 . 1 1 29 29 PHE HB2 H 1 3.695 0.030 . 2 . . . . 29 PHE HB2 . 11114 1 277 . 1 1 29 29 PHE HB3 H 1 2.913 0.030 . 2 . . . . 29 PHE HB3 . 11114 1 278 . 1 1 29 29 PHE HD1 H 1 7.264 0.030 . 1 . . . . 29 PHE HD1 . 11114 1 279 . 1 1 29 29 PHE HD2 H 1 7.264 0.030 . 1 . . . . 29 PHE HD2 . 11114 1 280 . 1 1 29 29 PHE HE1 H 1 6.705 0.030 . 1 . . . . 29 PHE HE1 . 11114 1 281 . 1 1 29 29 PHE HE2 H 1 6.705 0.030 . 1 . . . . 29 PHE HE2 . 11114 1 282 . 1 1 29 29 PHE HZ H 1 6.208 0.030 . 1 . . . . 29 PHE HZ . 11114 1 283 . 1 1 29 29 PHE C C 13 173.471 0.300 . 1 . . . . 29 PHE C . 11114 1 284 . 1 1 29 29 PHE CA C 13 52.188 0.300 . 1 . . . . 29 PHE CA . 11114 1 285 . 1 1 29 29 PHE CB C 13 41.098 0.300 . 1 . . . . 29 PHE CB . 11114 1 286 . 1 1 29 29 PHE CD1 C 13 130.106 0.300 . 1 . . . . 29 PHE CD1 . 11114 1 287 . 1 1 29 29 PHE CD2 C 13 130.106 0.300 . 1 . . . . 29 PHE CD2 . 11114 1 288 . 1 1 29 29 PHE CE1 C 13 130.542 0.300 . 1 . . . . 29 PHE CE1 . 11114 1 289 . 1 1 29 29 PHE CE2 C 13 130.542 0.300 . 1 . . . . 29 PHE CE2 . 11114 1 290 . 1 1 29 29 PHE CZ C 13 129.214 0.300 . 1 . . . . 29 PHE CZ . 11114 1 291 . 1 1 29 29 PHE N N 15 133.147 0.300 . 1 . . . . 29 PHE N . 11114 1 292 . 1 1 30 30 VAL H H 1 9.671 0.030 . 1 . . . . 30 VAL H . 11114 1 293 . 1 1 30 30 VAL HA H 1 4.475 0.030 . 1 . . . . 30 VAL HA . 11114 1 294 . 1 1 30 30 VAL HB H 1 2.092 0.030 . 1 . . . . 30 VAL HB . 11114 1 295 . 1 1 30 30 VAL HG11 H 1 -0.079 0.030 . 1 . . . . 30 VAL HG1 . 11114 1 296 . 1 1 30 30 VAL HG12 H 1 -0.079 0.030 . 1 . . . . 30 VAL HG1 . 11114 1 297 . 1 1 30 30 VAL HG13 H 1 -0.079 0.030 . 1 . . . . 30 VAL HG1 . 11114 1 298 . 1 1 30 30 VAL HG21 H 1 0.786 0.030 . 1 . . . . 30 VAL HG2 . 11114 1 299 . 1 1 30 30 VAL HG22 H 1 0.786 0.030 . 1 . . . . 30 VAL HG2 . 11114 1 300 . 1 1 30 30 VAL HG23 H 1 0.786 0.030 . 1 . . . . 30 VAL HG2 . 11114 1 301 . 1 1 30 30 VAL C C 13 173.207 0.300 . 1 . . . . 30 VAL C . 11114 1 302 . 1 1 30 30 VAL CA C 13 61.392 0.300 . 1 . . . . 30 VAL CA . 11114 1 303 . 1 1 30 30 VAL CB C 13 35.335 0.300 . 1 . . . . 30 VAL CB . 11114 1 304 . 1 1 30 30 VAL CG1 C 13 21.208 0.300 . 2 . . . . 30 VAL CG1 . 11114 1 305 . 1 1 30 30 VAL CG2 C 13 23.375 0.300 . 2 . . . . 30 VAL CG2 . 11114 1 306 . 1 1 30 30 VAL N N 15 125.669 0.300 . 1 . . . . 30 VAL N . 11114 1 307 . 1 1 31 31 GLU H H 1 7.715 0.030 . 1 . . . . 31 GLU H . 11114 1 308 . 1 1 31 31 GLU HA H 1 4.246 0.030 . 1 . . . . 31 GLU HA . 11114 1 309 . 1 1 31 31 GLU HB2 H 1 1.319 0.030 . 2 . . . . 31 GLU HB2 . 11114 1 310 . 1 1 31 31 GLU HB3 H 1 -0.490 0.030 . 2 . . . . 31 GLU HB3 . 11114 1 311 . 1 1 31 31 GLU HG2 H 1 1.339 0.030 . 1 . . . . 31 GLU HG2 . 11114 1 312 . 1 1 31 31 GLU HG3 H 1 1.339 0.030 . 1 . . . . 31 GLU HG3 . 11114 1 313 . 1 1 31 31 GLU C C 13 173.936 0.300 . 1 . . . . 31 GLU C . 11114 1 314 . 1 1 31 31 GLU CA C 13 53.859 0.300 . 1 . . . . 31 GLU CA . 11114 1 315 . 1 1 31 31 GLU CB C 13 25.824 0.300 . 1 . . . . 31 GLU CB . 11114 1 316 . 1 1 31 31 GLU CG C 13 31.331 0.300 . 1 . . . . 31 GLU CG . 11114 1 317 . 1 1 31 31 GLU N N 15 125.340 0.300 . 1 . . . . 31 GLU N . 11114 1 318 . 1 1 32 32 PHE H H 1 9.556 0.030 . 1 . . . . 32 PHE H . 11114 1 319 . 1 1 32 32 PHE HA H 1 5.312 0.030 . 1 . . . . 32 PHE HA . 11114 1 320 . 1 1 32 32 PHE HB2 H 1 3.374 0.030 . 2 . . . . 32 PHE HB2 . 11114 1 321 . 1 1 32 32 PHE HB3 H 1 3.084 0.030 . 2 . . . . 32 PHE HB3 . 11114 1 322 . 1 1 32 32 PHE HD1 H 1 7.261 0.030 . 1 . . . . 32 PHE HD1 . 11114 1 323 . 1 1 32 32 PHE HD2 H 1 7.261 0.030 . 1 . . . . 32 PHE HD2 . 11114 1 324 . 1 1 32 32 PHE HE1 H 1 7.074 0.030 . 1 . . . . 32 PHE HE1 . 11114 1 325 . 1 1 32 32 PHE HE2 H 1 7.074 0.030 . 1 . . . . 32 PHE HE2 . 11114 1 326 . 1 1 32 32 PHE HZ H 1 7.160 0.030 . 1 . . . . 32 PHE HZ . 11114 1 327 . 1 1 32 32 PHE C C 13 175.841 0.300 . 1 . . . . 32 PHE C . 11114 1 328 . 1 1 32 32 PHE CA C 13 57.494 0.300 . 1 . . . . 32 PHE CA . 11114 1 329 . 1 1 32 32 PHE CB C 13 38.280 0.300 . 1 . . . . 32 PHE CB . 11114 1 330 . 1 1 32 32 PHE CD1 C 13 132.753 0.300 . 1 . . . . 32 PHE CD1 . 11114 1 331 . 1 1 32 32 PHE CD2 C 13 132.753 0.300 . 1 . . . . 32 PHE CD2 . 11114 1 332 . 1 1 32 32 PHE CE1 C 13 130.305 0.300 . 1 . . . . 32 PHE CE1 . 11114 1 333 . 1 1 32 32 PHE CE2 C 13 130.305 0.300 . 1 . . . . 32 PHE CE2 . 11114 1 334 . 1 1 32 32 PHE CZ C 13 128.166 0.300 . 1 . . . . 32 PHE CZ . 11114 1 335 . 1 1 32 32 PHE N N 15 130.733 0.300 . 1 . . . . 32 PHE N . 11114 1 336 . 1 1 33 33 TYR H H 1 8.660 0.030 . 1 . . . . 33 TYR H . 11114 1 337 . 1 1 33 33 TYR HA H 1 5.302 0.030 . 1 . . . . 33 TYR HA . 11114 1 338 . 1 1 33 33 TYR HB2 H 1 2.754 0.030 . 2 . . . . 33 TYR HB2 . 11114 1 339 . 1 1 33 33 TYR HB3 H 1 2.384 0.030 . 2 . . . . 33 TYR HB3 . 11114 1 340 . 1 1 33 33 TYR HD1 H 1 6.497 0.030 . 1 . . . . 33 TYR HD1 . 11114 1 341 . 1 1 33 33 TYR HD2 H 1 6.497 0.030 . 1 . . . . 33 TYR HD2 . 11114 1 342 . 1 1 33 33 TYR HE1 H 1 6.344 0.030 . 1 . . . . 33 TYR HE1 . 11114 1 343 . 1 1 33 33 TYR HE2 H 1 6.344 0.030 . 1 . . . . 33 TYR HE2 . 11114 1 344 . 1 1 33 33 TYR C C 13 170.554 0.300 . 1 . . . . 33 TYR C . 11114 1 345 . 1 1 33 33 TYR CA C 13 54.961 0.300 . 1 . . . . 33 TYR CA . 11114 1 346 . 1 1 33 33 TYR CB C 13 43.032 0.300 . 1 . . . . 33 TYR CB . 11114 1 347 . 1 1 33 33 TYR CD1 C 13 133.152 0.300 . 1 . . . . 33 TYR CD1 . 11114 1 348 . 1 1 33 33 TYR CD2 C 13 133.152 0.300 . 1 . . . . 33 TYR CD2 . 11114 1 349 . 1 1 33 33 TYR CE1 C 13 117.034 0.300 . 1 . . . . 33 TYR CE1 . 11114 1 350 . 1 1 33 33 TYR CE2 C 13 117.034 0.300 . 1 . . . . 33 TYR CE2 . 11114 1 351 . 1 1 33 33 TYR N N 15 120.208 0.300 . 1 . . . . 33 TYR N . 11114 1 352 . 1 1 34 34 ALA H H 1 7.081 0.030 . 1 . . . . 34 ALA H . 11114 1 353 . 1 1 34 34 ALA HA H 1 4.252 0.030 . 1 . . . . 34 ALA HA . 11114 1 354 . 1 1 34 34 ALA HB1 H 1 -0.759 0.030 . 1 . . . . 34 ALA HB . 11114 1 355 . 1 1 34 34 ALA HB2 H 1 -0.759 0.030 . 1 . . . . 34 ALA HB . 11114 1 356 . 1 1 34 34 ALA HB3 H 1 -0.759 0.030 . 1 . . . . 34 ALA HB . 11114 1 357 . 1 1 34 34 ALA C C 13 177.054 0.300 . 1 . . . . 34 ALA C . 11114 1 358 . 1 1 34 34 ALA CA C 13 47.550 0.300 . 1 . . . . 34 ALA CA . 11114 1 359 . 1 1 34 34 ALA CB C 13 19.521 0.300 . 1 . . . . 34 ALA CB . 11114 1 360 . 1 1 34 34 ALA N N 15 119.695 0.300 . 1 . . . . 34 ALA N . 11114 1 361 . 1 1 35 35 PRO HA H 1 4.236 0.030 . 1 . . . . 35 PRO HA . 11114 1 362 . 1 1 35 35 PRO HB2 H 1 2.341 0.030 . 2 . . . . 35 PRO HB2 . 11114 1 363 . 1 1 35 35 PRO HB3 H 1 2.001 0.030 . 2 . . . . 35 PRO HB3 . 11114 1 364 . 1 1 35 35 PRO HD2 H 1 3.412 0.030 . 2 . . . . 35 PRO HD2 . 11114 1 365 . 1 1 35 35 PRO HD3 H 1 3.187 0.030 . 2 . . . . 35 PRO HD3 . 11114 1 366 . 1 1 35 35 PRO HG2 H 1 2.027 0.030 . 1 . . . . 35 PRO HG2 . 11114 1 367 . 1 1 35 35 PRO HG3 H 1 2.027 0.030 . 1 . . . . 35 PRO HG3 . 11114 1 368 . 1 1 35 35 PRO C C 13 175.800 0.300 . 1 . . . . 35 PRO C . 11114 1 369 . 1 1 35 35 PRO CA C 13 64.520 0.300 . 1 . . . . 35 PRO CA . 11114 1 370 . 1 1 35 35 PRO CB C 13 31.979 0.300 . 1 . . . . 35 PRO CB . 11114 1 371 . 1 1 35 35 PRO CD C 13 51.216 0.300 . 1 . . . . 35 PRO CD . 11114 1 372 . 1 1 35 35 PRO CG C 13 27.605 0.300 . 1 . . . . 35 PRO CG . 11114 1 373 . 1 1 36 36 TRP H H 1 5.995 0.030 . 1 . . . . 36 TRP H . 11114 1 374 . 1 1 36 36 TRP HA H 1 4.578 0.030 . 1 . . . . 36 TRP HA . 11114 1 375 . 1 1 36 36 TRP HB2 H 1 3.563 0.030 . 2 . . . . 36 TRP HB2 . 11114 1 376 . 1 1 36 36 TRP HB3 H 1 3.193 0.030 . 2 . . . . 36 TRP HB3 . 11114 1 377 . 1 1 36 36 TRP HD1 H 1 7.312 0.030 . 1 . . . . 36 TRP HD1 . 11114 1 378 . 1 1 36 36 TRP HE1 H 1 10.305 0.030 . 1 . . . . 36 TRP HE1 . 11114 1 379 . 1 1 36 36 TRP HE3 H 1 7.357 0.030 . 1 . . . . 36 TRP HE3 . 11114 1 380 . 1 1 36 36 TRP HH2 H 1 7.395 0.030 . 1 . . . . 36 TRP HH2 . 11114 1 381 . 1 1 36 36 TRP HZ2 H 1 7.470 0.030 . 1 . . . . 36 TRP HZ2 . 11114 1 382 . 1 1 36 36 TRP HZ3 H 1 7.270 0.030 . 1 . . . . 36 TRP HZ3 . 11114 1 383 . 1 1 36 36 TRP C C 13 176.063 0.300 . 1 . . . . 36 TRP C . 11114 1 384 . 1 1 36 36 TRP CA C 13 53.962 0.300 . 1 . . . . 36 TRP CA . 11114 1 385 . 1 1 36 36 TRP CB C 13 29.270 0.300 . 1 . . . . 36 TRP CB . 11114 1 386 . 1 1 36 36 TRP CD1 C 13 128.314 0.300 . 1 . . . . 36 TRP CD1 . 11114 1 387 . 1 1 36 36 TRP CE3 C 13 120.834 0.300 . 1 . . . . 36 TRP CE3 . 11114 1 388 . 1 1 36 36 TRP CH2 C 13 125.666 0.300 . 1 . . . . 36 TRP CH2 . 11114 1 389 . 1 1 36 36 TRP CZ2 C 13 115.072 0.300 . 1 . . . . 36 TRP CZ2 . 11114 1 390 . 1 1 36 36 TRP CZ3 C 13 122.374 0.300 . 1 . . . . 36 TRP CZ3 . 11114 1 391 . 1 1 36 36 TRP N N 15 110.146 0.300 . 1 . . . . 36 TRP N . 11114 1 392 . 1 1 36 36 TRP NE1 N 15 130.870 0.300 . 1 . . . . 36 TRP NE1 . 11114 1 393 . 1 1 37 37 CYS H H 1 6.581 0.030 . 1 . . . . 37 CYS H . 11114 1 394 . 1 1 37 37 CYS HA H 1 4.375 0.030 . 1 . . . . 37 CYS HA . 11114 1 395 . 1 1 37 37 CYS HB2 H 1 2.636 0.030 . 2 . . . . 37 CYS HB2 . 11114 1 396 . 1 1 37 37 CYS HB3 H 1 2.231 0.030 . 2 . . . . 37 CYS HB3 . 11114 1 397 . 1 1 37 37 CYS C C 13 178.150 0.300 . 1 . . . . 37 CYS C . 11114 1 398 . 1 1 37 37 CYS CA C 13 60.124 0.300 . 1 . . . . 37 CYS CA . 11114 1 399 . 1 1 37 37 CYS CB C 13 30.198 0.300 . 1 . . . . 37 CYS CB . 11114 1 400 . 1 1 37 37 CYS N N 15 126.200 0.300 . 1 . . . . 37 CYS N . 11114 1 401 . 1 1 38 38 GLY H H 1 9.139 0.030 . 1 . . . . 38 GLY H . 11114 1 402 . 1 1 38 38 GLY HA2 H 1 4.027 0.030 . 2 . . . . 38 GLY HA2 . 11114 1 403 . 1 1 38 38 GLY HA3 H 1 3.831 0.030 . 2 . . . . 38 GLY HA3 . 11114 1 404 . 1 1 38 38 GLY C C 13 177.097 0.300 . 1 . . . . 38 GLY C . 11114 1 405 . 1 1 38 38 GLY CA C 13 47.616 0.300 . 1 . . . . 38 GLY CA . 11114 1 406 . 1 1 38 38 GLY N N 15 119.410 0.300 . 1 . . . . 38 GLY N . 11114 1 407 . 1 1 39 39 HIS H H 1 9.512 0.030 . 1 . . . . 39 HIS H . 11114 1 408 . 1 1 39 39 HIS HA H 1 4.616 0.030 . 1 . . . . 39 HIS HA . 11114 1 409 . 1 1 39 39 HIS HB2 H 1 3.440 0.030 . 2 . . . . 39 HIS HB2 . 11114 1 410 . 1 1 39 39 HIS HB3 H 1 3.056 0.030 . 2 . . . . 39 HIS HB3 . 11114 1 411 . 1 1 39 39 HIS HD2 H 1 7.292 0.030 . 1 . . . . 39 HIS HD2 . 11114 1 412 . 1 1 39 39 HIS C C 13 180.520 0.300 . 1 . . . . 39 HIS C . 11114 1 413 . 1 1 39 39 HIS CA C 13 59.268 0.300 . 1 . . . . 39 HIS CA . 11114 1 414 . 1 1 39 39 HIS CB C 13 30.782 0.300 . 1 . . . . 39 HIS CB . 11114 1 415 . 1 1 39 39 HIS CD2 C 13 120.235 0.300 . 1 . . . . 39 HIS CD2 . 11114 1 416 . 1 1 39 39 HIS N N 15 127.634 0.300 . 1 . . . . 39 HIS N . 11114 1 417 . 1 1 40 40 CYS H H 1 9.787 0.030 . 1 . . . . 40 CYS H . 11114 1 418 . 1 1 40 40 CYS HA H 1 3.954 0.030 . 1 . . . . 40 CYS HA . 11114 1 419 . 1 1 40 40 CYS HB2 H 1 3.503 0.030 . 2 . . . . 40 CYS HB2 . 11114 1 420 . 1 1 40 40 CYS HB3 H 1 2.688 0.030 . 2 . . . . 40 CYS HB3 . 11114 1 421 . 1 1 40 40 CYS C C 13 178.515 0.300 . 1 . . . . 40 CYS C . 11114 1 422 . 1 1 40 40 CYS CA C 13 64.343 0.300 . 1 . . . . 40 CYS CA . 11114 1 423 . 1 1 40 40 CYS CB C 13 28.638 0.300 . 1 . . . . 40 CYS CB . 11114 1 424 . 1 1 40 40 CYS N N 15 128.345 0.300 . 1 . . . . 40 CYS N . 11114 1 425 . 1 1 41 41 LYS H H 1 8.604 0.030 . 1 . . . . 41 LYS H . 11114 1 426 . 1 1 41 41 LYS HA H 1 3.960 0.030 . 1 . . . . 41 LYS HA . 11114 1 427 . 1 1 41 41 LYS HB2 H 1 1.901 0.030 . 2 . . . . 41 LYS HB2 . 11114 1 428 . 1 1 41 41 LYS HD2 H 1 1.615 0.030 . 1 . . . . 41 LYS HD2 . 11114 1 429 . 1 1 41 41 LYS HD3 H 1 1.615 0.030 . 1 . . . . 41 LYS HD3 . 11114 1 430 . 1 1 41 41 LYS HE2 H 1 2.931 0.030 . 2 . . . . 41 LYS HE2 . 11114 1 431 . 1 1 41 41 LYS HG2 H 1 1.555 0.030 . 2 . . . . 41 LYS HG2 . 11114 1 432 . 1 1 41 41 LYS HG3 H 1 1.374 0.030 . 2 . . . . 41 LYS HG3 . 11114 1 433 . 1 1 41 41 LYS C C 13 179.102 0.300 . 1 . . . . 41 LYS C . 11114 1 434 . 1 1 41 41 LYS CA C 13 60.242 0.300 . 1 . . . . 41 LYS CA . 11114 1 435 . 1 1 41 41 LYS CB C 13 32.321 0.300 . 1 . . . . 41 LYS CB . 11114 1 436 . 1 1 41 41 LYS CD C 13 29.420 0.300 . 1 . . . . 41 LYS CD . 11114 1 437 . 1 1 41 41 LYS CE C 13 42.181 0.300 . 1 . . . . 41 LYS CE . 11114 1 438 . 1 1 41 41 LYS CG C 13 25.423 0.300 . 1 . . . . 41 LYS CG . 11114 1 439 . 1 1 41 41 LYS N N 15 123.722 0.300 . 1 . . . . 41 LYS N . 11114 1 440 . 1 1 42 42 GLN H H 1 7.557 0.030 . 1 . . . . 42 GLN H . 11114 1 441 . 1 1 42 42 GLN HA H 1 4.099 0.030 . 1 . . . . 42 GLN HA . 11114 1 442 . 1 1 42 42 GLN HB2 H 1 2.271 0.030 . 2 . . . . 42 GLN HB2 . 11114 1 443 . 1 1 42 42 GLN HB3 H 1 2.209 0.030 . 2 . . . . 42 GLN HB3 . 11114 1 444 . 1 1 42 42 GLN HE21 H 1 7.449 0.030 . 2 . . . . 42 GLN HE21 . 11114 1 445 . 1 1 42 42 GLN HE22 H 1 6.872 0.030 . 2 . . . . 42 GLN HE22 . 11114 1 446 . 1 1 42 42 GLN HG2 H 1 2.604 0.030 . 2 . . . . 42 GLN HG2 . 11114 1 447 . 1 1 42 42 GLN HG3 H 1 2.466 0.030 . 2 . . . . 42 GLN HG3 . 11114 1 448 . 1 1 42 42 GLN C C 13 177.178 0.300 . 1 . . . . 42 GLN C . 11114 1 449 . 1 1 42 42 GLN CA C 13 58.383 0.300 . 1 . . . . 42 GLN CA . 11114 1 450 . 1 1 42 42 GLN CB C 13 28.759 0.300 . 1 . . . . 42 GLN CB . 11114 1 451 . 1 1 42 42 GLN CG C 13 34.159 0.300 . 1 . . . . 42 GLN CG . 11114 1 452 . 1 1 42 42 GLN N N 15 117.445 0.300 . 1 . . . . 42 GLN N . 11114 1 453 . 1 1 42 42 GLN NE2 N 15 111.873 0.300 . 1 . . . . 42 GLN NE2 . 11114 1 454 . 1 1 43 43 LEU H H 1 7.440 0.030 . 1 . . . . 43 LEU H . 11114 1 455 . 1 1 43 43 LEU HA H 1 4.411 0.030 . 1 . . . . 43 LEU HA . 11114 1 456 . 1 1 43 43 LEU HB2 H 1 1.763 0.030 . 2 . . . . 43 LEU HB2 . 11114 1 457 . 1 1 43 43 LEU HB3 H 1 1.635 0.030 . 2 . . . . 43 LEU HB3 . 11114 1 458 . 1 1 43 43 LEU HD11 H 1 1.260 0.030 . 1 . . . . 43 LEU HD1 . 11114 1 459 . 1 1 43 43 LEU HD12 H 1 1.260 0.030 . 1 . . . . 43 LEU HD1 . 11114 1 460 . 1 1 43 43 LEU HD13 H 1 1.260 0.030 . 1 . . . . 43 LEU HD1 . 11114 1 461 . 1 1 43 43 LEU HD21 H 1 0.752 0.030 . 1 . . . . 43 LEU HD2 . 11114 1 462 . 1 1 43 43 LEU HD22 H 1 0.752 0.030 . 1 . . . . 43 LEU HD2 . 11114 1 463 . 1 1 43 43 LEU HD23 H 1 0.752 0.030 . 1 . . . . 43 LEU HD2 . 11114 1 464 . 1 1 43 43 LEU HG H 1 1.837 0.030 . 1 . . . . 43 LEU HG . 11114 1 465 . 1 1 43 43 LEU C C 13 177.644 0.300 . 1 . . . . 43 LEU C . 11114 1 466 . 1 1 43 43 LEU CA C 13 55.397 0.300 . 1 . . . . 43 LEU CA . 11114 1 467 . 1 1 43 43 LEU CB C 13 42.571 0.300 . 1 . . . . 43 LEU CB . 11114 1 468 . 1 1 43 43 LEU CD1 C 13 24.060 0.300 . 2 . . . . 43 LEU CD1 . 11114 1 469 . 1 1 43 43 LEU CD2 C 13 26.444 0.300 . 2 . . . . 43 LEU CD2 . 11114 1 470 . 1 1 43 43 LEU CG C 13 27.534 0.300 . 1 . . . . 43 LEU CG . 11114 1 471 . 1 1 43 43 LEU N N 15 117.574 0.300 . 1 . . . . 43 LEU N . 11114 1 472 . 1 1 44 44 ALA H H 1 7.423 0.030 . 1 . . . . 44 ALA H . 11114 1 473 . 1 1 44 44 ALA HA H 1 4.180 0.030 . 1 . . . . 44 ALA HA . 11114 1 474 . 1 1 44 44 ALA HB1 H 1 1.422 0.030 . 1 . . . . 44 ALA HB . 11114 1 475 . 1 1 44 44 ALA HB2 H 1 1.422 0.030 . 1 . . . . 44 ALA HB . 11114 1 476 . 1 1 44 44 ALA HB3 H 1 1.422 0.030 . 1 . . . . 44 ALA HB . 11114 1 477 . 1 1 44 44 ALA C C 13 175.517 0.300 . 1 . . . . 44 ALA C . 11114 1 478 . 1 1 44 44 ALA CA C 13 57.188 0.300 . 1 . . . . 44 ALA CA . 11114 1 479 . 1 1 44 44 ALA CB C 13 15.775 0.300 . 1 . . . . 44 ALA CB . 11114 1 480 . 1 1 44 44 ALA N N 15 121.635 0.300 . 1 . . . . 44 ALA N . 11114 1 481 . 1 1 45 45 PRO HA H 1 4.486 0.030 . 1 . . . . 45 PRO HA . 11114 1 482 . 1 1 45 45 PRO HB2 H 1 2.376 0.030 . 2 . . . . 45 PRO HB2 . 11114 1 483 . 1 1 45 45 PRO HB3 H 1 1.896 0.030 . 2 . . . . 45 PRO HB3 . 11114 1 484 . 1 1 45 45 PRO HD2 H 1 3.881 0.030 . 2 . . . . 45 PRO HD2 . 11114 1 485 . 1 1 45 45 PRO HD3 H 1 3.681 0.030 . 2 . . . . 45 PRO HD3 . 11114 1 486 . 1 1 45 45 PRO HG2 H 1 2.077 0.030 . 1 . . . . 45 PRO HG2 . 11114 1 487 . 1 1 45 45 PRO HG3 H 1 2.077 0.030 . 1 . . . . 45 PRO HG3 . 11114 1 488 . 1 1 45 45 PRO C C 13 180.338 0.300 . 1 . . . . 45 PRO C . 11114 1 489 . 1 1 45 45 PRO CA C 13 65.700 0.300 . 1 . . . . 45 PRO CA . 11114 1 490 . 1 1 45 45 PRO CB C 13 31.155 0.300 . 1 . . . . 45 PRO CB . 11114 1 491 . 1 1 45 45 PRO CD C 13 50.016 0.300 . 1 . . . . 45 PRO CD . 11114 1 492 . 1 1 45 45 PRO CG C 13 28.526 0.300 . 1 . . . . 45 PRO CG . 11114 1 493 . 1 1 46 46 ILE H H 1 7.307 0.030 . 1 . . . . 46 ILE H . 11114 1 494 . 1 1 46 46 ILE HA H 1 3.815 0.030 . 1 . . . . 46 ILE HA . 11114 1 495 . 1 1 46 46 ILE HB H 1 2.363 0.030 . 1 . . . . 46 ILE HB . 11114 1 496 . 1 1 46 46 ILE HD11 H 1 1.074 0.030 . 1 . . . . 46 ILE HD1 . 11114 1 497 . 1 1 46 46 ILE HD12 H 1 1.074 0.030 . 1 . . . . 46 ILE HD1 . 11114 1 498 . 1 1 46 46 ILE HD13 H 1 1.074 0.030 . 1 . . . . 46 ILE HD1 . 11114 1 499 . 1 1 46 46 ILE HG12 H 1 1.793 0.030 . 2 . . . . 46 ILE HG12 . 11114 1 500 . 1 1 46 46 ILE HG13 H 1 1.346 0.030 . 2 . . . . 46 ILE HG13 . 11114 1 501 . 1 1 46 46 ILE HG21 H 1 1.098 0.030 . 1 . . . . 46 ILE HG2 . 11114 1 502 . 1 1 46 46 ILE HG22 H 1 1.098 0.030 . 1 . . . . 46 ILE HG2 . 11114 1 503 . 1 1 46 46 ILE HG23 H 1 1.098 0.030 . 1 . . . . 46 ILE HG2 . 11114 1 504 . 1 1 46 46 ILE C C 13 177.299 0.300 . 1 . . . . 46 ILE C . 11114 1 505 . 1 1 46 46 ILE CA C 13 64.225 0.300 . 1 . . . . 46 ILE CA . 11114 1 506 . 1 1 46 46 ILE CB C 13 38.085 0.300 . 1 . . . . 46 ILE CB . 11114 1 507 . 1 1 46 46 ILE CD1 C 13 13.271 0.300 . 1 . . . . 46 ILE CD1 . 11114 1 508 . 1 1 46 46 ILE CG1 C 13 28.742 0.300 . 1 . . . . 46 ILE CG1 . 11114 1 509 . 1 1 46 46 ILE CG2 C 13 18.316 0.300 . 1 . . . . 46 ILE CG2 . 11114 1 510 . 1 1 46 46 ILE N N 15 119.524 0.300 . 1 . . . . 46 ILE N . 11114 1 511 . 1 1 47 47 TRP H H 1 8.550 0.030 . 1 . . . . 47 TRP H . 11114 1 512 . 1 1 47 47 TRP HA H 1 4.032 0.030 . 1 . . . . 47 TRP HA . 11114 1 513 . 1 1 47 47 TRP HB2 H 1 3.246 0.030 . 2 . . . . 47 TRP HB2 . 11114 1 514 . 1 1 47 47 TRP HB3 H 1 2.746 0.030 . 2 . . . . 47 TRP HB3 . 11114 1 515 . 1 1 47 47 TRP HD1 H 1 6.692 0.030 . 1 . . . . 47 TRP HD1 . 11114 1 516 . 1 1 47 47 TRP HE1 H 1 8.545 0.030 . 1 . . . . 47 TRP HE1 . 11114 1 517 . 1 1 47 47 TRP HE3 H 1 6.480 0.030 . 1 . . . . 47 TRP HE3 . 11114 1 518 . 1 1 47 47 TRP HH2 H 1 4.392 0.030 . 1 . . . . 47 TRP HH2 . 11114 1 519 . 1 1 47 47 TRP HZ2 H 1 7.037 0.030 . 1 . . . . 47 TRP HZ2 . 11114 1 520 . 1 1 47 47 TRP HZ3 H 1 4.656 0.030 . 1 . . . . 47 TRP HZ3 . 11114 1 521 . 1 1 47 47 TRP C C 13 178.089 0.300 . 1 . . . . 47 TRP C . 11114 1 522 . 1 1 47 47 TRP CA C 13 60.183 0.300 . 1 . . . . 47 TRP CA . 11114 1 523 . 1 1 47 47 TRP CB C 13 29.568 0.300 . 1 . . . . 47 TRP CB . 11114 1 524 . 1 1 47 47 TRP CD1 C 13 124.415 0.300 . 1 . . . . 47 TRP CD1 . 11114 1 525 . 1 1 47 47 TRP CE3 C 13 118.018 0.300 . 1 . . . . 47 TRP CE3 . 11114 1 526 . 1 1 47 47 TRP CH2 C 13 123.333 0.300 . 1 . . . . 47 TRP CH2 . 11114 1 527 . 1 1 47 47 TRP CZ2 C 13 114.846 0.300 . 1 . . . . 47 TRP CZ2 . 11114 1 528 . 1 1 47 47 TRP CZ3 C 13 121.919 0.300 . 1 . . . . 47 TRP CZ3 . 11114 1 529 . 1 1 47 47 TRP N N 15 124.219 0.300 . 1 . . . . 47 TRP N . 11114 1 530 . 1 1 47 47 TRP NE1 N 15 124.393 0.300 . 1 . . . . 47 TRP NE1 . 11114 1 531 . 1 1 48 48 ASP H H 1 8.317 0.030 . 1 . . . . 48 ASP H . 11114 1 532 . 1 1 48 48 ASP HA H 1 4.324 0.030 . 1 . . . . 48 ASP HA . 11114 1 533 . 1 1 48 48 ASP HB2 H 1 2.655 0.030 . 2 . . . . 48 ASP HB2 . 11114 1 534 . 1 1 48 48 ASP HB3 H 1 2.570 0.030 . 2 . . . . 48 ASP HB3 . 11114 1 535 . 1 1 48 48 ASP C C 13 179.325 0.300 . 1 . . . . 48 ASP C . 11114 1 536 . 1 1 48 48 ASP CA C 13 57.502 0.300 . 1 . . . . 48 ASP CA . 11114 1 537 . 1 1 48 48 ASP CB C 13 40.188 0.300 . 1 . . . . 48 ASP CB . 11114 1 538 . 1 1 48 48 ASP N N 15 116.494 0.300 . 1 . . . . 48 ASP N . 11114 1 539 . 1 1 49 49 LYS H H 1 7.465 0.030 . 1 . . . . 49 LYS H . 11114 1 540 . 1 1 49 49 LYS HA H 1 4.086 0.030 . 1 . . . . 49 LYS HA . 11114 1 541 . 1 1 49 49 LYS HB2 H 1 2.061 0.030 . 2 . . . . 49 LYS HB2 . 11114 1 542 . 1 1 49 49 LYS HB3 H 1 1.986 0.030 . 2 . . . . 49 LYS HB3 . 11114 1 543 . 1 1 49 49 LYS HD2 H 1 1.695 0.030 . 1 . . . . 49 LYS HD2 . 11114 1 544 . 1 1 49 49 LYS HD3 H 1 1.695 0.030 . 1 . . . . 49 LYS HD3 . 11114 1 545 . 1 1 49 49 LYS HE2 H 1 2.929 0.030 . 2 . . . . 49 LYS HE2 . 11114 1 546 . 1 1 49 49 LYS HG2 H 1 1.553 0.030 . 1 . . . . 49 LYS HG2 . 11114 1 547 . 1 1 49 49 LYS HG3 H 1 1.553 0.030 . 1 . . . . 49 LYS HG3 . 11114 1 548 . 1 1 49 49 LYS C C 13 180.196 0.300 . 1 . . . . 49 LYS C . 11114 1 549 . 1 1 49 49 LYS CA C 13 58.531 0.300 . 1 . . . . 49 LYS CA . 11114 1 550 . 1 1 49 49 LYS CB C 13 31.846 0.300 . 1 . . . . 49 LYS CB . 11114 1 551 . 1 1 49 49 LYS CD C 13 28.712 0.300 . 1 . . . . 49 LYS CD . 11114 1 552 . 1 1 49 49 LYS CE C 13 42.125 0.300 . 1 . . . . 49 LYS CE . 11114 1 553 . 1 1 49 49 LYS CG C 13 25.379 0.300 . 1 . . . . 49 LYS CG . 11114 1 554 . 1 1 49 49 LYS N N 15 120.682 0.300 . 1 . . . . 49 LYS N . 11114 1 555 . 1 1 50 50 LEU H H 1 8.631 0.030 . 1 . . . . 50 LEU H . 11114 1 556 . 1 1 50 50 LEU HA H 1 3.881 0.030 . 1 . . . . 50 LEU HA . 11114 1 557 . 1 1 50 50 LEU HB2 H 1 1.786 0.030 . 2 . . . . 50 LEU HB2 . 11114 1 558 . 1 1 50 50 LEU HB3 H 1 1.110 0.030 . 2 . . . . 50 LEU HB3 . 11114 1 559 . 1 1 50 50 LEU HD11 H 1 1.004 0.030 . 1 . . . . 50 LEU HD1 . 11114 1 560 . 1 1 50 50 LEU HD12 H 1 1.004 0.030 . 1 . . . . 50 LEU HD1 . 11114 1 561 . 1 1 50 50 LEU HD13 H 1 1.004 0.030 . 1 . . . . 50 LEU HD1 . 11114 1 562 . 1 1 50 50 LEU HD21 H 1 -0.232 0.030 . 1 . . . . 50 LEU HD2 . 11114 1 563 . 1 1 50 50 LEU HD22 H 1 -0.232 0.030 . 1 . . . . 50 LEU HD2 . 11114 1 564 . 1 1 50 50 LEU HD23 H 1 -0.232 0.030 . 1 . . . . 50 LEU HD2 . 11114 1 565 . 1 1 50 50 LEU HG H 1 1.155 0.030 . 1 . . . . 50 LEU HG . 11114 1 566 . 1 1 50 50 LEU C C 13 178.596 0.300 . 1 . . . . 50 LEU C . 11114 1 567 . 1 1 50 50 LEU CA C 13 58.197 0.300 . 1 . . . . 50 LEU CA . 11114 1 568 . 1 1 50 50 LEU CB C 13 41.088 0.300 . 1 . . . . 50 LEU CB . 11114 1 569 . 1 1 50 50 LEU CD1 C 13 24.907 0.300 . 2 . . . . 50 LEU CD1 . 11114 1 570 . 1 1 50 50 LEU CD2 C 13 26.135 0.300 . 2 . . . . 50 LEU CD2 . 11114 1 571 . 1 1 50 50 LEU CG C 13 26.336 0.300 . 1 . . . . 50 LEU CG . 11114 1 572 . 1 1 50 50 LEU N N 15 126.658 0.300 . 1 . . . . 50 LEU N . 11114 1 573 . 1 1 51 51 GLY H H 1 8.376 0.030 . 1 . . . . 51 GLY H . 11114 1 574 . 1 1 51 51 GLY HA2 H 1 3.436 0.030 . 2 . . . . 51 GLY HA2 . 11114 1 575 . 1 1 51 51 GLY HA3 H 1 3.370 0.030 . 2 . . . . 51 GLY HA3 . 11114 1 576 . 1 1 51 51 GLY C C 13 176.307 0.300 . 1 . . . . 51 GLY C . 11114 1 577 . 1 1 51 51 GLY CA C 13 47.291 0.300 . 1 . . . . 51 GLY CA . 11114 1 578 . 1 1 51 51 GLY N N 15 106.519 0.300 . 1 . . . . 51 GLY N . 11114 1 579 . 1 1 52 52 GLU H H 1 8.366 0.030 . 1 . . . . 52 GLU H . 11114 1 580 . 1 1 52 52 GLU HA H 1 3.877 0.030 . 1 . . . . 52 GLU HA . 11114 1 581 . 1 1 52 52 GLU HB2 H 1 2.132 0.030 . 2 . . . . 52 GLU HB2 . 11114 1 582 . 1 1 52 52 GLU HB3 H 1 2.102 0.030 . 2 . . . . 52 GLU HB3 . 11114 1 583 . 1 1 52 52 GLU HG2 H 1 2.323 0.030 . 2 . . . . 52 GLU HG2 . 11114 1 584 . 1 1 52 52 GLU HG3 H 1 2.229 0.030 . 2 . . . . 52 GLU HG3 . 11114 1 585 . 1 1 52 52 GLU C C 13 179.122 0.300 . 1 . . . . 52 GLU C . 11114 1 586 . 1 1 52 52 GLU CA C 13 59.593 0.300 . 1 . . . . 52 GLU CA . 11114 1 587 . 1 1 52 52 GLU CB C 13 29.726 0.300 . 1 . . . . 52 GLU CB . 11114 1 588 . 1 1 52 52 GLU CG C 13 35.722 0.300 . 1 . . . . 52 GLU CG . 11114 1 589 . 1 1 52 52 GLU N N 15 121.893 0.300 . 1 . . . . 52 GLU N . 11114 1 590 . 1 1 53 53 THR H H 1 8.017 0.030 . 1 . . . . 53 THR H . 11114 1 591 . 1 1 53 53 THR HA H 1 3.739 0.030 . 1 . . . . 53 THR HA . 11114 1 592 . 1 1 53 53 THR HB H 1 4.408 0.030 . 1 . . . . 53 THR HB . 11114 1 593 . 1 1 53 53 THR HG21 H 1 0.624 0.030 . 1 . . . . 53 THR HG2 . 11114 1 594 . 1 1 53 53 THR HG22 H 1 0.624 0.030 . 1 . . . . 53 THR HG2 . 11114 1 595 . 1 1 53 53 THR HG23 H 1 0.624 0.030 . 1 . . . . 53 THR HG2 . 11114 1 596 . 1 1 53 53 THR C C 13 175.415 0.300 . 1 . . . . 53 THR C . 11114 1 597 . 1 1 53 53 THR CA C 13 66.742 0.300 . 1 . . . . 53 THR CA . 11114 1 598 . 1 1 53 53 THR CB C 13 68.987 0.300 . 1 . . . . 53 THR CB . 11114 1 599 . 1 1 53 53 THR CG2 C 13 20.529 0.300 . 1 . . . . 53 THR CG2 . 11114 1 600 . 1 1 53 53 THR N N 15 116.194 0.300 . 1 . . . . 53 THR N . 11114 1 601 . 1 1 54 54 TYR H H 1 7.248 0.030 . 1 . . . . 54 TYR H . 11114 1 602 . 1 1 54 54 TYR HA H 1 4.637 0.030 . 1 . . . . 54 TYR HA . 11114 1 603 . 1 1 54 54 TYR HB2 H 1 3.356 0.030 . 2 . . . . 54 TYR HB2 . 11114 1 604 . 1 1 54 54 TYR HB3 H 1 2.302 0.030 . 2 . . . . 54 TYR HB3 . 11114 1 605 . 1 1 54 54 TYR HD1 H 1 6.898 0.030 . 1 . . . . 54 TYR HD1 . 11114 1 606 . 1 1 54 54 TYR HD2 H 1 6.898 0.030 . 1 . . . . 54 TYR HD2 . 11114 1 607 . 1 1 54 54 TYR HE1 H 1 6.521 0.030 . 1 . . . . 54 TYR HE1 . 11114 1 608 . 1 1 54 54 TYR HE2 H 1 6.521 0.030 . 1 . . . . 54 TYR HE2 . 11114 1 609 . 1 1 54 54 TYR C C 13 175.942 0.300 . 1 . . . . 54 TYR C . 11114 1 610 . 1 1 54 54 TYR CA C 13 59.486 0.300 . 1 . . . . 54 TYR CA . 11114 1 611 . 1 1 54 54 TYR CB C 13 38.247 0.300 . 1 . . . . 54 TYR CB . 11114 1 612 . 1 1 54 54 TYR CD1 C 13 132.371 0.300 . 1 . . . . 54 TYR CD1 . 11114 1 613 . 1 1 54 54 TYR CD2 C 13 132.371 0.300 . 1 . . . . 54 TYR CD2 . 11114 1 614 . 1 1 54 54 TYR CE1 C 13 118.352 0.300 . 1 . . . . 54 TYR CE1 . 11114 1 615 . 1 1 54 54 TYR CE2 C 13 118.352 0.300 . 1 . . . . 54 TYR CE2 . 11114 1 616 . 1 1 54 54 TYR N N 15 116.942 0.300 . 1 . . . . 54 TYR N . 11114 1 617 . 1 1 55 55 LYS H H 1 7.228 0.030 . 1 . . . . 55 LYS H . 11114 1 618 . 1 1 55 55 LYS HA H 1 4.167 0.030 . 1 . . . . 55 LYS HA . 11114 1 619 . 1 1 55 55 LYS HB2 H 1 1.973 0.030 . 2 . . . . 55 LYS HB2 . 11114 1 620 . 1 1 55 55 LYS HB3 H 1 1.858 0.030 . 2 . . . . 55 LYS HB3 . 11114 1 621 . 1 1 55 55 LYS HD2 H 1 1.678 0.030 . 1 . . . . 55 LYS HD2 . 11114 1 622 . 1 1 55 55 LYS HD3 H 1 1.678 0.030 . 1 . . . . 55 LYS HD3 . 11114 1 623 . 1 1 55 55 LYS HE2 H 1 2.992 0.030 . 2 . . . . 55 LYS HE2 . 11114 1 624 . 1 1 55 55 LYS HG2 H 1 1.483 0.030 . 2 . . . . 55 LYS HG2 . 11114 1 625 . 1 1 55 55 LYS HG3 H 1 1.344 0.030 . 2 . . . . 55 LYS HG3 . 11114 1 626 . 1 1 55 55 LYS CA C 13 59.571 0.300 . 1 . . . . 55 LYS CA . 11114 1 627 . 1 1 55 55 LYS CB C 13 32.349 0.300 . 1 . . . . 55 LYS CB . 11114 1 628 . 1 1 55 55 LYS CD C 13 29.710 0.300 . 1 . . . . 55 LYS CD . 11114 1 629 . 1 1 55 55 LYS CG C 13 23.681 0.300 . 1 . . . . 55 LYS CG . 11114 1 630 . 1 1 55 55 LYS N N 15 123.184 0.300 . 1 . . . . 55 LYS N . 11114 1 631 . 1 1 56 56 ASP H H 1 8.757 0.030 . 1 . . . . 56 ASP H . 11114 1 632 . 1 1 56 56 ASP HA H 1 4.643 0.030 . 1 . . . . 56 ASP HA . 11114 1 633 . 1 1 56 56 ASP HB2 H 1 2.785 0.030 . 2 . . . . 56 ASP HB2 . 11114 1 634 . 1 1 56 56 ASP HB3 H 1 2.698 0.030 . 2 . . . . 56 ASP HB3 . 11114 1 635 . 1 1 56 56 ASP C C 13 175.375 0.300 . 1 . . . . 56 ASP C . 11114 1 636 . 1 1 56 56 ASP CA C 13 54.354 0.300 . 1 . . . . 56 ASP CA . 11114 1 637 . 1 1 56 56 ASP CB C 13 38.974 0.300 . 1 . . . . 56 ASP CB . 11114 1 638 . 1 1 57 57 HIS H H 1 7.903 0.030 . 1 . . . . 57 HIS H . 11114 1 639 . 1 1 57 57 HIS HA H 1 4.187 0.030 . 1 . . . . 57 HIS HA . 11114 1 640 . 1 1 57 57 HIS HB2 H 1 3.447 0.030 . 2 . . . . 57 HIS HB2 . 11114 1 641 . 1 1 57 57 HIS HB3 H 1 3.399 0.030 . 2 . . . . 57 HIS HB3 . 11114 1 642 . 1 1 57 57 HIS HD2 H 1 7.467 0.030 . 1 . . . . 57 HIS HD2 . 11114 1 643 . 1 1 57 57 HIS HE1 H 1 7.848 0.030 . 1 . . . . 57 HIS HE1 . 11114 1 644 . 1 1 57 57 HIS C C 13 176.752 0.300 . 1 . . . . 57 HIS C . 11114 1 645 . 1 1 57 57 HIS CA C 13 59.563 0.300 . 1 . . . . 57 HIS CA . 11114 1 646 . 1 1 57 57 HIS CB C 13 32.527 0.300 . 1 . . . . 57 HIS CB . 11114 1 647 . 1 1 57 57 HIS CD2 C 13 119.425 0.300 . 1 . . . . 57 HIS CD2 . 11114 1 648 . 1 1 57 57 HIS CE1 C 13 139.044 0.300 . 1 . . . . 57 HIS CE1 . 11114 1 649 . 1 1 57 57 HIS N N 15 122.169 0.300 . 1 . . . . 57 HIS N . 11114 1 650 . 1 1 58 58 GLU H H 1 8.562 0.030 . 1 . . . . 58 GLU H . 11114 1 651 . 1 1 58 58 GLU HA H 1 4.057 0.030 . 1 . . . . 58 GLU HA . 11114 1 652 . 1 1 58 58 GLU HB2 H 1 1.926 0.030 . 1 . . . . 58 GLU HB2 . 11114 1 653 . 1 1 58 58 GLU HB3 H 1 1.926 0.030 . 1 . . . . 58 GLU HB3 . 11114 1 654 . 1 1 58 58 GLU HG2 H 1 2.276 0.030 . 2 . . . . 58 GLU HG2 . 11114 1 655 . 1 1 58 58 GLU HG3 H 1 2.200 0.030 . 2 . . . . 58 GLU HG3 . 11114 1 656 . 1 1 58 58 GLU C C 13 177.380 0.300 . 1 . . . . 58 GLU C . 11114 1 657 . 1 1 58 58 GLU CA C 13 59.357 0.300 . 1 . . . . 58 GLU CA . 11114 1 658 . 1 1 58 58 GLU CB C 13 30.301 0.300 . 1 . . . . 58 GLU CB . 11114 1 659 . 1 1 58 58 GLU CG C 13 36.151 0.300 . 1 . . . . 58 GLU CG . 11114 1 660 . 1 1 58 58 GLU N N 15 126.716 0.300 . 1 . . . . 58 GLU N . 11114 1 661 . 1 1 59 59 ASN H H 1 10.634 0.030 . 1 . . . . 59 ASN H . 11114 1 662 . 1 1 59 59 ASN HA H 1 4.910 0.030 . 1 . . . . 59 ASN HA . 11114 1 663 . 1 1 59 59 ASN HB2 H 1 3.166 0.030 . 2 . . . . 59 ASN HB2 . 11114 1 664 . 1 1 59 59 ASN HB3 H 1 2.840 0.030 . 2 . . . . 59 ASN HB3 . 11114 1 665 . 1 1 59 59 ASN HD21 H 1 7.889 0.030 . 2 . . . . 59 ASN HD21 . 11114 1 666 . 1 1 59 59 ASN HD22 H 1 7.139 0.030 . 2 . . . . 59 ASN HD22 . 11114 1 667 . 1 1 59 59 ASN C C 13 173.936 0.300 . 1 . . . . 59 ASN C . 11114 1 668 . 1 1 59 59 ASN CA C 13 54.985 0.300 . 1 . . . . 59 ASN CA . 11114 1 669 . 1 1 59 59 ASN CB C 13 40.335 0.300 . 1 . . . . 59 ASN CB . 11114 1 670 . 1 1 59 59 ASN N N 15 115.556 0.300 . 1 . . . . 59 ASN N . 11114 1 671 . 1 1 59 59 ASN ND2 N 15 115.867 0.300 . 1 . . . . 59 ASN ND2 . 11114 1 672 . 1 1 60 60 ILE H H 1 9.047 0.030 . 1 . . . . 60 ILE H . 11114 1 673 . 1 1 60 60 ILE HA H 1 4.978 0.030 . 1 . . . . 60 ILE HA . 11114 1 674 . 1 1 60 60 ILE HB H 1 0.932 0.030 . 1 . . . . 60 ILE HB . 11114 1 675 . 1 1 60 60 ILE HD11 H 1 0.034 0.030 . 1 . . . . 60 ILE HD1 . 11114 1 676 . 1 1 60 60 ILE HD12 H 1 0.034 0.030 . 1 . . . . 60 ILE HD1 . 11114 1 677 . 1 1 60 60 ILE HD13 H 1 0.034 0.030 . 1 . . . . 60 ILE HD1 . 11114 1 678 . 1 1 60 60 ILE HG12 H 1 1.633 0.030 . 2 . . . . 60 ILE HG12 . 11114 1 679 . 1 1 60 60 ILE HG13 H 1 0.664 0.030 . 2 . . . . 60 ILE HG13 . 11114 1 680 . 1 1 60 60 ILE HG21 H 1 0.245 0.030 . 1 . . . . 60 ILE HG2 . 11114 1 681 . 1 1 60 60 ILE HG22 H 1 0.245 0.030 . 1 . . . . 60 ILE HG2 . 11114 1 682 . 1 1 60 60 ILE HG23 H 1 0.245 0.030 . 1 . . . . 60 ILE HG2 . 11114 1 683 . 1 1 60 60 ILE C C 13 175.719 0.300 . 1 . . . . 60 ILE C . 11114 1 684 . 1 1 60 60 ILE CA C 13 61.757 0.300 . 1 . . . . 60 ILE CA . 11114 1 685 . 1 1 60 60 ILE CB C 13 39.094 0.300 . 1 . . . . 60 ILE CB . 11114 1 686 . 1 1 60 60 ILE CD1 C 13 13.791 0.300 . 1 . . . . 60 ILE CD1 . 11114 1 687 . 1 1 60 60 ILE CG1 C 13 29.363 0.300 . 1 . . . . 60 ILE CG1 . 11114 1 688 . 1 1 60 60 ILE CG2 C 13 17.813 0.300 . 1 . . . . 60 ILE CG2 . 11114 1 689 . 1 1 60 60 ILE N N 15 126.977 0.300 . 1 . . . . 60 ILE N . 11114 1 690 . 1 1 61 61 VAL H H 1 8.738 0.030 . 1 . . . . 61 VAL H . 11114 1 691 . 1 1 61 61 VAL HA H 1 4.176 0.030 . 1 . . . . 61 VAL HA . 11114 1 692 . 1 1 61 61 VAL HB H 1 1.782 0.030 . 1 . . . . 61 VAL HB . 11114 1 693 . 1 1 61 61 VAL HG11 H 1 0.778 0.030 . 1 . . . . 61 VAL HG1 . 11114 1 694 . 1 1 61 61 VAL HG12 H 1 0.778 0.030 . 1 . . . . 61 VAL HG1 . 11114 1 695 . 1 1 61 61 VAL HG13 H 1 0.778 0.030 . 1 . . . . 61 VAL HG1 . 11114 1 696 . 1 1 61 61 VAL HG21 H 1 0.832 0.030 . 1 . . . . 61 VAL HG2 . 11114 1 697 . 1 1 61 61 VAL HG22 H 1 0.832 0.030 . 1 . . . . 61 VAL HG2 . 11114 1 698 . 1 1 61 61 VAL HG23 H 1 0.832 0.030 . 1 . . . . 61 VAL HG2 . 11114 1 699 . 1 1 61 61 VAL C C 13 173.025 0.300 . 1 . . . . 61 VAL C . 11114 1 700 . 1 1 61 61 VAL CA C 13 61.186 0.300 . 1 . . . . 61 VAL CA . 11114 1 701 . 1 1 61 61 VAL CB C 13 35.668 0.300 . 1 . . . . 61 VAL CB . 11114 1 702 . 1 1 61 61 VAL CG1 C 13 20.259 0.300 . 2 . . . . 61 VAL CG1 . 11114 1 703 . 1 1 61 61 VAL CG2 C 13 20.936 0.300 . 2 . . . . 61 VAL CG2 . 11114 1 704 . 1 1 61 61 VAL N N 15 129.319 0.300 . 1 . . . . 61 VAL N . 11114 1 705 . 1 1 62 62 ILE H H 1 8.889 0.030 . 1 . . . . 62 ILE H . 11114 1 706 . 1 1 62 62 ILE HA H 1 4.661 0.030 . 1 . . . . 62 ILE HA . 11114 1 707 . 1 1 62 62 ILE HB H 1 2.014 0.030 . 1 . . . . 62 ILE HB . 11114 1 708 . 1 1 62 62 ILE HD11 H 1 0.369 0.030 . 1 . . . . 62 ILE HD1 . 11114 1 709 . 1 1 62 62 ILE HD12 H 1 0.369 0.030 . 1 . . . . 62 ILE HD1 . 11114 1 710 . 1 1 62 62 ILE HD13 H 1 0.369 0.030 . 1 . . . . 62 ILE HD1 . 11114 1 711 . 1 1 62 62 ILE HG12 H 1 1.648 0.030 . 2 . . . . 62 ILE HG12 . 11114 1 712 . 1 1 62 62 ILE HG13 H 1 0.876 0.030 . 2 . . . . 62 ILE HG13 . 11114 1 713 . 1 1 62 62 ILE HG21 H 1 0.114 0.030 . 1 . . . . 62 ILE HG2 . 11114 1 714 . 1 1 62 62 ILE HG22 H 1 0.114 0.030 . 1 . . . . 62 ILE HG2 . 11114 1 715 . 1 1 62 62 ILE HG23 H 1 0.114 0.030 . 1 . . . . 62 ILE HG2 . 11114 1 716 . 1 1 62 62 ILE C C 13 174.787 0.300 . 1 . . . . 62 ILE C . 11114 1 717 . 1 1 62 62 ILE CA C 13 57.984 0.300 . 1 . . . . 62 ILE CA . 11114 1 718 . 1 1 62 62 ILE CB C 13 35.101 0.300 . 1 . . . . 62 ILE CB . 11114 1 719 . 1 1 62 62 ILE CD1 C 13 9.106 0.300 . 1 . . . . 62 ILE CD1 . 11114 1 720 . 1 1 62 62 ILE CG1 C 13 26.879 0.300 . 1 . . . . 62 ILE CG1 . 11114 1 721 . 1 1 62 62 ILE CG2 C 13 16.798 0.300 . 1 . . . . 62 ILE CG2 . 11114 1 722 . 1 1 62 62 ILE N N 15 128.307 0.300 . 1 . . . . 62 ILE N . 11114 1 723 . 1 1 63 63 ALA H H 1 9.302 0.030 . 1 . . . . 63 ALA H . 11114 1 724 . 1 1 63 63 ALA HA H 1 5.854 0.030 . 1 . . . . 63 ALA HA . 11114 1 725 . 1 1 63 63 ALA HB1 H 1 1.180 0.030 . 1 . . . . 63 ALA HB . 11114 1 726 . 1 1 63 63 ALA HB2 H 1 1.180 0.030 . 1 . . . . 63 ALA HB . 11114 1 727 . 1 1 63 63 ALA HB3 H 1 1.180 0.030 . 1 . . . . 63 ALA HB . 11114 1 728 . 1 1 63 63 ALA C C 13 176.772 0.300 . 1 . . . . 63 ALA C . 11114 1 729 . 1 1 63 63 ALA CA C 13 50.441 0.300 . 1 . . . . 63 ALA CA . 11114 1 730 . 1 1 63 63 ALA CB C 13 24.448 0.300 . 1 . . . . 63 ALA CB . 11114 1 731 . 1 1 63 63 ALA N N 15 129.070 0.300 . 1 . . . . 63 ALA N . 11114 1 732 . 1 1 64 64 LYS H H 1 9.101 0.030 . 1 . . . . 64 LYS H . 11114 1 733 . 1 1 64 64 LYS HA H 1 5.397 0.030 . 1 . . . . 64 LYS HA . 11114 1 734 . 1 1 64 64 LYS HB2 H 1 1.954 0.030 . 2 . . . . 64 LYS HB2 . 11114 1 735 . 1 1 64 64 LYS HB3 H 1 1.639 0.030 . 2 . . . . 64 LYS HB3 . 11114 1 736 . 1 1 64 64 LYS HD2 H 1 1.407 0.030 . 2 . . . . 64 LYS HD2 . 11114 1 737 . 1 1 64 64 LYS HD3 H 1 1.293 0.030 . 2 . . . . 64 LYS HD3 . 11114 1 738 . 1 1 64 64 LYS HE2 H 1 2.845 0.030 . 2 . . . . 64 LYS HE2 . 11114 1 739 . 1 1 64 64 LYS HE3 H 1 2.647 0.030 . 2 . . . . 64 LYS HE3 . 11114 1 740 . 1 1 64 64 LYS HG2 H 1 1.450 0.030 . 2 . . . . 64 LYS HG2 . 11114 1 741 . 1 1 64 64 LYS HG3 H 1 1.302 0.030 . 2 . . . . 64 LYS HG3 . 11114 1 742 . 1 1 64 64 LYS C C 13 172.397 0.300 . 1 . . . . 64 LYS C . 11114 1 743 . 1 1 64 64 LYS CA C 13 54.803 0.300 . 1 . . . . 64 LYS CA . 11114 1 744 . 1 1 64 64 LYS CB C 13 36.747 0.300 . 1 . . . . 64 LYS CB . 11114 1 745 . 1 1 64 64 LYS CD C 13 30.205 0.300 . 1 . . . . 64 LYS CD . 11114 1 746 . 1 1 64 64 LYS CE C 13 42.368 0.300 . 1 . . . . 64 LYS CE . 11114 1 747 . 1 1 64 64 LYS CG C 13 23.116 0.300 . 1 . . . . 64 LYS CG . 11114 1 748 . 1 1 64 64 LYS N N 15 118.576 0.300 . 1 . . . . 64 LYS N . 11114 1 749 . 1 1 65 65 MET H H 1 8.779 0.030 . 1 . . . . 65 MET H . 11114 1 750 . 1 1 65 65 MET HA H 1 4.591 0.030 . 1 . . . . 65 MET HA . 11114 1 751 . 1 1 65 65 MET HB2 H 1 1.615 0.030 . 2 . . . . 65 MET HB2 . 11114 1 752 . 1 1 65 65 MET HB3 H 1 1.474 0.030 . 2 . . . . 65 MET HB3 . 11114 1 753 . 1 1 65 65 MET HE1 H 1 1.626 0.030 . 1 . . . . 65 MET HE . 11114 1 754 . 1 1 65 65 MET HE2 H 1 1.626 0.030 . 1 . . . . 65 MET HE . 11114 1 755 . 1 1 65 65 MET HE3 H 1 1.626 0.030 . 1 . . . . 65 MET HE . 11114 1 756 . 1 1 65 65 MET HG2 H 1 2.466 0.030 . 2 . . . . 65 MET HG2 . 11114 1 757 . 1 1 65 65 MET HG3 H 1 1.830 0.030 . 2 . . . . 65 MET HG3 . 11114 1 758 . 1 1 65 65 MET C C 13 172.802 0.300 . 1 . . . . 65 MET C . 11114 1 759 . 1 1 65 65 MET CA C 13 55.522 0.300 . 1 . . . . 65 MET CA . 11114 1 760 . 1 1 65 65 MET CB C 13 39.034 0.300 . 1 . . . . 65 MET CB . 11114 1 761 . 1 1 65 65 MET CE C 13 18.471 0.300 . 1 . . . . 65 MET CE . 11114 1 762 . 1 1 65 65 MET CG C 13 31.977 0.300 . 1 . . . . 65 MET CG . 11114 1 763 . 1 1 65 65 MET N N 15 119.116 0.300 . 1 . . . . 65 MET N . 11114 1 764 . 1 1 66 66 ASP H H 1 8.823 0.030 . 1 . . . . 66 ASP H . 11114 1 765 . 1 1 66 66 ASP HA H 1 3.346 0.030 . 1 . . . . 66 ASP HA . 11114 1 766 . 1 1 66 66 ASP HB2 H 1 2.513 0.030 . 2 . . . . 66 ASP HB2 . 11114 1 767 . 1 1 66 66 ASP HB3 H 1 2.238 0.030 . 2 . . . . 66 ASP HB3 . 11114 1 768 . 1 1 66 66 ASP C C 13 177.583 0.300 . 1 . . . . 66 ASP C . 11114 1 769 . 1 1 66 66 ASP CA C 13 51.956 0.300 . 1 . . . . 66 ASP CA . 11114 1 770 . 1 1 66 66 ASP CB C 13 38.828 0.300 . 1 . . . . 66 ASP CB . 11114 1 771 . 1 1 66 66 ASP N N 15 125.792 0.300 . 1 . . . . 66 ASP N . 11114 1 772 . 1 1 67 67 SER H H 1 8.675 0.030 . 1 . . . . 67 SER H . 11114 1 773 . 1 1 67 67 SER HA H 1 4.548 0.030 . 1 . . . . 67 SER HA . 11114 1 774 . 1 1 67 67 SER HB2 H 1 4.120 0.030 . 2 . . . . 67 SER HB2 . 11114 1 775 . 1 1 67 67 SER HB3 H 1 3.719 0.030 . 2 . . . . 67 SER HB3 . 11114 1 776 . 1 1 67 67 SER C C 13 174.666 0.300 . 1 . . . . 67 SER C . 11114 1 777 . 1 1 67 67 SER CA C 13 61.628 0.300 . 1 . . . . 67 SER CA . 11114 1 778 . 1 1 67 67 SER CB C 13 65.001 0.300 . 1 . . . . 67 SER CB . 11114 1 779 . 1 1 67 67 SER N N 15 127.547 0.300 . 1 . . . . 67 SER N . 11114 1 780 . 1 1 68 68 THR H H 1 8.604 0.030 . 1 . . . . 68 THR H . 11114 1 781 . 1 1 68 68 THR HA H 1 4.439 0.030 . 1 . . . . 68 THR HA . 11114 1 782 . 1 1 68 68 THR HB H 1 4.377 0.030 . 1 . . . . 68 THR HB . 11114 1 783 . 1 1 68 68 THR HG21 H 1 1.074 0.030 . 1 . . . . 68 THR HG2 . 11114 1 784 . 1 1 68 68 THR HG22 H 1 1.074 0.030 . 1 . . . . 68 THR HG2 . 11114 1 785 . 1 1 68 68 THR HG23 H 1 1.074 0.030 . 1 . . . . 68 THR HG2 . 11114 1 786 . 1 1 68 68 THR C C 13 175.192 0.300 . 1 . . . . 68 THR C . 11114 1 787 . 1 1 68 68 THR CA C 13 62.956 0.300 . 1 . . . . 68 THR CA . 11114 1 788 . 1 1 68 68 THR CB C 13 68.701 0.300 . 1 . . . . 68 THR CB . 11114 1 789 . 1 1 68 68 THR CG2 C 13 23.254 0.300 . 1 . . . . 68 THR CG2 . 11114 1 790 . 1 1 68 68 THR N N 15 111.359 0.300 . 1 . . . . 68 THR N . 11114 1 791 . 1 1 69 69 ALA H H 1 6.739 0.030 . 1 . . . . 69 ALA H . 11114 1 792 . 1 1 69 69 ALA HA H 1 4.585 0.030 . 1 . . . . 69 ALA HA . 11114 1 793 . 1 1 69 69 ALA HB1 H 1 1.274 0.030 . 1 . . . . 69 ALA HB . 11114 1 794 . 1 1 69 69 ALA HB2 H 1 1.274 0.030 . 1 . . . . 69 ALA HB . 11114 1 795 . 1 1 69 69 ALA HB3 H 1 1.274 0.030 . 1 . . . . 69 ALA HB . 11114 1 796 . 1 1 69 69 ALA C C 13 176.307 0.300 . 1 . . . . 69 ALA C . 11114 1 797 . 1 1 69 69 ALA CA C 13 51.097 0.300 . 1 . . . . 69 ALA CA . 11114 1 798 . 1 1 69 69 ALA CB C 13 21.636 0.300 . 1 . . . . 69 ALA CB . 11114 1 799 . 1 1 69 69 ALA N N 15 122.851 0.300 . 1 . . . . 69 ALA N . 11114 1 800 . 1 1 70 70 ASN H H 1 7.251 0.030 . 1 . . . . 70 ASN H . 11114 1 801 . 1 1 70 70 ASN HA H 1 4.966 0.030 . 1 . . . . 70 ASN HA . 11114 1 802 . 1 1 70 70 ASN HB2 H 1 2.647 0.030 . 2 . . . . 70 ASN HB2 . 11114 1 803 . 1 1 70 70 ASN HB3 H 1 2.162 0.030 . 2 . . . . 70 ASN HB3 . 11114 1 804 . 1 1 70 70 ASN HD21 H 1 8.159 0.030 . 2 . . . . 70 ASN HD21 . 11114 1 805 . 1 1 70 70 ASN HD22 H 1 7.437 0.030 . 2 . . . . 70 ASN HD22 . 11114 1 806 . 1 1 70 70 ASN C C 13 172.113 0.300 . 1 . . . . 70 ASN C . 11114 1 807 . 1 1 70 70 ASN CA C 13 52.424 0.300 . 1 . . . . 70 ASN CA . 11114 1 808 . 1 1 70 70 ASN CB C 13 43.608 0.300 . 1 . . . . 70 ASN CB . 11114 1 809 . 1 1 70 70 ASN N N 15 115.854 0.300 . 1 . . . . 70 ASN N . 11114 1 810 . 1 1 70 70 ASN ND2 N 15 118.997 0.300 . 1 . . . . 70 ASN ND2 . 11114 1 811 . 1 1 71 71 GLU H H 1 8.690 0.030 . 1 . . . . 71 GLU H . 11114 1 812 . 1 1 71 71 GLU HA H 1 4.371 0.030 . 1 . . . . 71 GLU HA . 11114 1 813 . 1 1 71 71 GLU HB2 H 1 1.905 0.030 . 1 . . . . 71 GLU HB2 . 11114 1 814 . 1 1 71 71 GLU HB3 H 1 1.905 0.030 . 1 . . . . 71 GLU HB3 . 11114 1 815 . 1 1 71 71 GLU HG2 H 1 2.197 0.030 . 2 . . . . 71 GLU HG2 . 11114 1 816 . 1 1 71 71 GLU HG3 H 1 2.126 0.030 . 2 . . . . 71 GLU HG3 . 11114 1 817 . 1 1 71 71 GLU C C 13 175.354 0.300 . 1 . . . . 71 GLU C . 11114 1 818 . 1 1 71 71 GLU CA C 13 56.017 0.300 . 1 . . . . 71 GLU CA . 11114 1 819 . 1 1 71 71 GLU CB C 13 31.316 0.300 . 1 . . . . 71 GLU CB . 11114 1 820 . 1 1 71 71 GLU CG C 13 36.202 0.300 . 1 . . . . 71 GLU CG . 11114 1 821 . 1 1 71 71 GLU N N 15 123.246 0.300 . 1 . . . . 71 GLU N . 11114 1 822 . 1 1 72 72 VAL H H 1 8.745 0.030 . 1 . . . . 72 VAL H . 11114 1 823 . 1 1 72 72 VAL HA H 1 4.501 0.030 . 1 . . . . 72 VAL HA . 11114 1 824 . 1 1 72 72 VAL HB H 1 2.044 0.030 . 1 . . . . 72 VAL HB . 11114 1 825 . 1 1 72 72 VAL HG11 H 1 0.608 0.030 . 1 . . . . 72 VAL HG1 . 11114 1 826 . 1 1 72 72 VAL HG12 H 1 0.608 0.030 . 1 . . . . 72 VAL HG1 . 11114 1 827 . 1 1 72 72 VAL HG13 H 1 0.608 0.030 . 1 . . . . 72 VAL HG1 . 11114 1 828 . 1 1 72 72 VAL HG21 H 1 0.335 0.030 . 1 . . . . 72 VAL HG2 . 11114 1 829 . 1 1 72 72 VAL HG22 H 1 0.335 0.030 . 1 . . . . 72 VAL HG2 . 11114 1 830 . 1 1 72 72 VAL HG23 H 1 0.335 0.030 . 1 . . . . 72 VAL HG2 . 11114 1 831 . 1 1 72 72 VAL C C 13 175.658 0.300 . 1 . . . . 72 VAL C . 11114 1 832 . 1 1 72 72 VAL CA C 13 59.475 0.300 . 1 . . . . 72 VAL CA . 11114 1 833 . 1 1 72 72 VAL CB C 13 34.176 0.300 . 1 . . . . 72 VAL CB . 11114 1 834 . 1 1 72 72 VAL CG1 C 13 22.144 0.300 . 2 . . . . 72 VAL CG1 . 11114 1 835 . 1 1 72 72 VAL CG2 C 13 18.608 0.300 . 2 . . . . 72 VAL CG2 . 11114 1 836 . 1 1 72 72 VAL N N 15 120.285 0.300 . 1 . . . . 72 VAL N . 11114 1 837 . 1 1 73 73 GLU H H 1 8.568 0.030 . 1 . . . . 73 GLU H . 11114 1 838 . 1 1 73 73 GLU HA H 1 3.936 0.030 . 1 . . . . 73 GLU HA . 11114 1 839 . 1 1 73 73 GLU HB2 H 1 2.012 0.030 . 1 . . . . 73 GLU HB2 . 11114 1 840 . 1 1 73 73 GLU HB3 H 1 2.012 0.030 . 1 . . . . 73 GLU HB3 . 11114 1 841 . 1 1 73 73 GLU HG2 H 1 2.268 0.030 . 2 . . . . 73 GLU HG2 . 11114 1 842 . 1 1 73 73 GLU C C 13 178.454 0.300 . 1 . . . . 73 GLU C . 11114 1 843 . 1 1 73 73 GLU CA C 13 58.826 0.300 . 1 . . . . 73 GLU CA . 11114 1 844 . 1 1 73 73 GLU CB C 13 29.945 0.300 . 1 . . . . 73 GLU CB . 11114 1 845 . 1 1 73 73 GLU CG C 13 36.271 0.300 . 1 . . . . 73 GLU CG . 11114 1 846 . 1 1 73 73 GLU N N 15 123.624 0.300 . 1 . . . . 73 GLU N . 11114 1 847 . 1 1 74 74 ALA H H 1 8.519 0.030 . 1 . . . . 74 ALA H . 11114 1 848 . 1 1 74 74 ALA HA H 1 4.175 0.030 . 1 . . . . 74 ALA HA . 11114 1 849 . 1 1 74 74 ALA HB1 H 1 1.668 0.030 . 1 . . . . 74 ALA HB . 11114 1 850 . 1 1 74 74 ALA HB2 H 1 1.668 0.030 . 1 . . . . 74 ALA HB . 11114 1 851 . 1 1 74 74 ALA HB3 H 1 1.668 0.030 . 1 . . . . 74 ALA HB . 11114 1 852 . 1 1 74 74 ALA C C 13 177.400 0.300 . 1 . . . . 74 ALA C . 11114 1 853 . 1 1 74 74 ALA CA C 13 54.194 0.300 . 1 . . . . 74 ALA CA . 11114 1 854 . 1 1 74 74 ALA CB C 13 20.126 0.300 . 1 . . . . 74 ALA CB . 11114 1 855 . 1 1 74 74 ALA N N 15 116.902 0.300 . 1 . . . . 74 ALA N . 11114 1 856 . 1 1 75 75 VAL H H 1 6.947 0.030 . 1 . . . . 75 VAL H . 11114 1 857 . 1 1 75 75 VAL HA H 1 4.156 0.030 . 1 . . . . 75 VAL HA . 11114 1 858 . 1 1 75 75 VAL HB H 1 1.545 0.030 . 1 . . . . 75 VAL HB . 11114 1 859 . 1 1 75 75 VAL HG11 H 1 0.408 0.030 . 1 . . . . 75 VAL HG1 . 11114 1 860 . 1 1 75 75 VAL HG12 H 1 0.408 0.030 . 1 . . . . 75 VAL HG1 . 11114 1 861 . 1 1 75 75 VAL HG13 H 1 0.408 0.030 . 1 . . . . 75 VAL HG1 . 11114 1 862 . 1 1 75 75 VAL HG21 H 1 0.784 0.030 . 1 . . . . 75 VAL HG2 . 11114 1 863 . 1 1 75 75 VAL HG22 H 1 0.784 0.030 . 1 . . . . 75 VAL HG2 . 11114 1 864 . 1 1 75 75 VAL HG23 H 1 0.784 0.030 . 1 . . . . 75 VAL HG2 . 11114 1 865 . 1 1 75 75 VAL C C 13 172.640 0.300 . 1 . . . . 75 VAL C . 11114 1 866 . 1 1 75 75 VAL CA C 13 60.377 0.300 . 1 . . . . 75 VAL CA . 11114 1 867 . 1 1 75 75 VAL CB C 13 34.787 0.300 . 1 . . . . 75 VAL CB . 11114 1 868 . 1 1 75 75 VAL CG1 C 13 21.349 0.300 . 2 . . . . 75 VAL CG1 . 11114 1 869 . 1 1 75 75 VAL CG2 C 13 20.528 0.300 . 2 . . . . 75 VAL CG2 . 11114 1 870 . 1 1 75 75 VAL N N 15 112.808 0.300 . 1 . . . . 75 VAL N . 11114 1 871 . 1 1 76 76 LYS H H 1 8.302 0.030 . 1 . . . . 76 LYS H . 11114 1 872 . 1 1 76 76 LYS HA H 1 4.299 0.030 . 1 . . . . 76 LYS HA . 11114 1 873 . 1 1 76 76 LYS HB2 H 1 1.621 0.030 . 2 . . . . 76 LYS HB2 . 11114 1 874 . 1 1 76 76 LYS HB3 H 1 1.468 0.030 . 2 . . . . 76 LYS HB3 . 11114 1 875 . 1 1 76 76 LYS HD2 H 1 1.624 0.030 . 2 . . . . 76 LYS HD2 . 11114 1 876 . 1 1 76 76 LYS HD3 H 1 1.565 0.030 . 2 . . . . 76 LYS HD3 . 11114 1 877 . 1 1 76 76 LYS HE2 H 1 2.919 0.030 . 2 . . . . 76 LYS HE2 . 11114 1 878 . 1 1 76 76 LYS HG2 H 1 1.287 0.030 . 2 . . . . 76 LYS HG2 . 11114 1 879 . 1 1 76 76 LYS HG3 H 1 1.248 0.030 . 2 . . . . 76 LYS HG3 . 11114 1 880 . 1 1 76 76 LYS C C 13 175.415 0.300 . 1 . . . . 76 LYS C . 11114 1 881 . 1 1 76 76 LYS CA C 13 54.460 0.300 . 1 . . . . 76 LYS CA . 11114 1 882 . 1 1 76 76 LYS CB C 13 32.613 0.300 . 1 . . . . 76 LYS CB . 11114 1 883 . 1 1 76 76 LYS CD C 13 28.511 0.300 . 1 . . . . 76 LYS CD . 11114 1 884 . 1 1 76 76 LYS CE C 13 42.193 0.300 . 1 . . . . 76 LYS CE . 11114 1 885 . 1 1 76 76 LYS CG C 13 24.451 0.300 . 1 . . . . 76 LYS CG . 11114 1 886 . 1 1 76 76 LYS N N 15 125.242 0.300 . 1 . . . . 76 LYS N . 11114 1 887 . 1 1 77 77 VAL H H 1 8.247 0.030 . 1 . . . . 77 VAL H . 11114 1 888 . 1 1 77 77 VAL HA H 1 3.761 0.030 . 1 . . . . 77 VAL HA . 11114 1 889 . 1 1 77 77 VAL HB H 1 1.683 0.030 . 1 . . . . 77 VAL HB . 11114 1 890 . 1 1 77 77 VAL HG11 H 1 0.489 0.030 . 1 . . . . 77 VAL HG1 . 11114 1 891 . 1 1 77 77 VAL HG12 H 1 0.489 0.030 . 1 . . . . 77 VAL HG1 . 11114 1 892 . 1 1 77 77 VAL HG13 H 1 0.489 0.030 . 1 . . . . 77 VAL HG1 . 11114 1 893 . 1 1 77 77 VAL HG21 H 1 0.240 0.030 . 1 . . . . 77 VAL HG2 . 11114 1 894 . 1 1 77 77 VAL HG22 H 1 0.240 0.030 . 1 . . . . 77 VAL HG2 . 11114 1 895 . 1 1 77 77 VAL HG23 H 1 0.240 0.030 . 1 . . . . 77 VAL HG2 . 11114 1 896 . 1 1 77 77 VAL C C 13 174.850 0.300 . 1 . . . . 77 VAL C . 11114 1 897 . 1 1 77 77 VAL CA C 13 61.794 0.300 . 1 . . . . 77 VAL CA . 11114 1 898 . 1 1 77 77 VAL CB C 13 33.256 0.300 . 1 . . . . 77 VAL CB . 11114 1 899 . 1 1 77 77 VAL CG1 C 13 21.953 0.300 . 2 . . . . 77 VAL CG1 . 11114 1 900 . 1 1 77 77 VAL CG2 C 13 20.539 0.300 . 2 . . . . 77 VAL CG2 . 11114 1 901 . 1 1 77 77 VAL N N 15 123.908 0.300 . 1 . . . . 77 VAL N . 11114 1 902 . 1 1 78 78 HIS HA H 1 4.561 0.030 . 1 . . . . 78 HIS HA . 11114 1 903 . 1 1 78 78 HIS HB2 H 1 3.051 0.030 . 2 . . . . 78 HIS HB2 . 11114 1 904 . 1 1 78 78 HIS HB3 H 1 2.830 0.030 . 2 . . . . 78 HIS HB3 . 11114 1 905 . 1 1 78 78 HIS HD2 H 1 6.834 0.030 . 1 . . . . 78 HIS HD2 . 11114 1 906 . 1 1 78 78 HIS HE1 H 1 7.678 0.030 . 1 . . . . 78 HIS HE1 . 11114 1 907 . 1 1 78 78 HIS C C 13 174.159 0.300 . 1 . . . . 78 HIS C . 11114 1 908 . 1 1 78 78 HIS CA C 13 55.846 0.300 . 1 . . . . 78 HIS CA . 11114 1 909 . 1 1 78 78 HIS CB C 13 32.235 0.300 . 1 . . . . 78 HIS CB . 11114 1 910 . 1 1 78 78 HIS CD2 C 13 120.008 0.300 . 1 . . . . 78 HIS CD2 . 11114 1 911 . 1 1 78 78 HIS CE1 C 13 138.373 0.300 . 1 . . . . 78 HIS CE1 . 11114 1 912 . 1 1 79 79 SER H H 1 7.057 0.030 . 1 . . . . 79 SER H . 11114 1 913 . 1 1 79 79 SER HA H 1 4.183 0.030 . 1 . . . . 79 SER HA . 11114 1 914 . 1 1 79 79 SER HB2 H 1 3.600 0.030 . 1 . . . . 79 SER HB2 . 11114 1 915 . 1 1 79 79 SER HB3 H 1 3.600 0.030 . 1 . . . . 79 SER HB3 . 11114 1 916 . 1 1 79 79 SER C C 13 171.566 0.300 . 1 . . . . 79 SER C . 11114 1 917 . 1 1 79 79 SER CA C 13 56.616 0.300 . 1 . . . . 79 SER CA . 11114 1 918 . 1 1 79 79 SER CB C 13 64.628 0.300 . 1 . . . . 79 SER CB . 11114 1 919 . 1 1 79 79 SER N N 15 113.191 0.300 . 1 . . . . 79 SER N . 11114 1 920 . 1 1 80 80 PHE H H 1 8.646 0.030 . 1 . . . . 80 PHE H . 11114 1 921 . 1 1 80 80 PHE HA H 1 4.973 0.030 . 1 . . . . 80 PHE HA . 11114 1 922 . 1 1 80 80 PHE HB2 H 1 3.019 0.030 . 2 . . . . 80 PHE HB2 . 11114 1 923 . 1 1 80 80 PHE HB3 H 1 2.785 0.030 . 2 . . . . 80 PHE HB3 . 11114 1 924 . 1 1 80 80 PHE HD1 H 1 6.974 0.030 . 1 . . . . 80 PHE HD1 . 11114 1 925 . 1 1 80 80 PHE HD2 H 1 6.974 0.030 . 1 . . . . 80 PHE HD2 . 11114 1 926 . 1 1 80 80 PHE HE1 H 1 7.139 0.030 . 1 . . . . 80 PHE HE1 . 11114 1 927 . 1 1 80 80 PHE HE2 H 1 7.139 0.030 . 1 . . . . 80 PHE HE2 . 11114 1 928 . 1 1 80 80 PHE HZ H 1 7.058 0.030 . 1 . . . . 80 PHE HZ . 11114 1 929 . 1 1 80 80 PHE C C 13 173.192 0.300 . 1 . . . . 80 PHE C . 11114 1 930 . 1 1 80 80 PHE CA C 13 54.418 0.300 . 1 . . . . 80 PHE CA . 11114 1 931 . 1 1 80 80 PHE CB C 13 41.923 0.300 . 1 . . . . 80 PHE CB . 11114 1 932 . 1 1 80 80 PHE CD1 C 13 131.792 0.300 . 1 . . . . 80 PHE CD1 . 11114 1 933 . 1 1 80 80 PHE CD2 C 13 131.792 0.300 . 1 . . . . 80 PHE CD2 . 11114 1 934 . 1 1 80 80 PHE CE1 C 13 131.110 0.300 . 1 . . . . 80 PHE CE1 . 11114 1 935 . 1 1 80 80 PHE CE2 C 13 131.110 0.300 . 1 . . . . 80 PHE CE2 . 11114 1 936 . 1 1 80 80 PHE CZ C 13 129.245 0.300 . 1 . . . . 80 PHE CZ . 11114 1 937 . 1 1 80 80 PHE N N 15 119.866 0.300 . 1 . . . . 80 PHE N . 11114 1 938 . 1 1 81 81 PRO HA H 1 5.132 0.030 . 1 . . . . 81 PRO HA . 11114 1 939 . 1 1 81 81 PRO HB2 H 1 2.757 0.030 . 2 . . . . 81 PRO HB2 . 11114 1 940 . 1 1 81 81 PRO HB3 H 1 1.610 0.030 . 2 . . . . 81 PRO HB3 . 11114 1 941 . 1 1 81 81 PRO HD2 H 1 3.742 0.030 . 2 . . . . 81 PRO HD2 . 11114 1 942 . 1 1 81 81 PRO HD3 H 1 3.398 0.030 . 2 . . . . 81 PRO HD3 . 11114 1 943 . 1 1 81 81 PRO HG2 H 1 1.827 0.030 . 1 . . . . 81 PRO HG2 . 11114 1 944 . 1 1 81 81 PRO HG3 H 1 1.827 0.030 . 1 . . . . 81 PRO HG3 . 11114 1 945 . 1 1 81 81 PRO C C 13 176.914 0.300 . 1 . . . . 81 PRO C . 11114 1 946 . 1 1 81 81 PRO CA C 13 63.150 0.300 . 1 . . . . 81 PRO CA . 11114 1 947 . 1 1 81 81 PRO CB C 13 34.307 0.300 . 1 . . . . 81 PRO CB . 11114 1 948 . 1 1 81 81 PRO CD C 13 49.770 0.300 . 1 . . . . 81 PRO CD . 11114 1 949 . 1 1 81 81 PRO CG C 13 24.483 0.300 . 1 . . . . 81 PRO CG . 11114 1 950 . 1 1 82 82 THR H H 1 8.853 0.030 . 1 . . . . 82 THR H . 11114 1 951 . 1 1 82 82 THR HA H 1 4.558 0.030 . 1 . . . . 82 THR HA . 11114 1 952 . 1 1 82 82 THR HB H 1 4.010 0.030 . 1 . . . . 82 THR HB . 11114 1 953 . 1 1 82 82 THR HG21 H 1 1.197 0.030 . 1 . . . . 82 THR HG2 . 11114 1 954 . 1 1 82 82 THR HG22 H 1 1.197 0.030 . 1 . . . . 82 THR HG2 . 11114 1 955 . 1 1 82 82 THR HG23 H 1 1.197 0.030 . 1 . . . . 82 THR HG2 . 11114 1 956 . 1 1 82 82 THR C C 13 171.749 0.300 . 1 . . . . 82 THR C . 11114 1 957 . 1 1 82 82 THR CA C 13 63.546 0.300 . 1 . . . . 82 THR CA . 11114 1 958 . 1 1 82 82 THR CB C 13 72.120 0.300 . 1 . . . . 82 THR CB . 11114 1 959 . 1 1 82 82 THR CG2 C 13 21.808 0.300 . 1 . . . . 82 THR CG2 . 11114 1 960 . 1 1 82 82 THR N N 15 117.786 0.300 . 1 . . . . 82 THR N . 11114 1 961 . 1 1 83 83 LEU H H 1 9.351 0.030 . 1 . . . . 83 LEU H . 11114 1 962 . 1 1 83 83 LEU HA H 1 5.460 0.030 . 1 . . . . 83 LEU HA . 11114 1 963 . 1 1 83 83 LEU HB2 H 1 2.166 0.030 . 2 . . . . 83 LEU HB2 . 11114 1 964 . 1 1 83 83 LEU HB3 H 1 1.249 0.030 . 2 . . . . 83 LEU HB3 . 11114 1 965 . 1 1 83 83 LEU HD11 H 1 0.744 0.030 . 1 . . . . 83 LEU HD1 . 11114 1 966 . 1 1 83 83 LEU HD12 H 1 0.744 0.030 . 1 . . . . 83 LEU HD1 . 11114 1 967 . 1 1 83 83 LEU HD13 H 1 0.744 0.030 . 1 . . . . 83 LEU HD1 . 11114 1 968 . 1 1 83 83 LEU HD21 H 1 0.228 0.030 . 1 . . . . 83 LEU HD2 . 11114 1 969 . 1 1 83 83 LEU HD22 H 1 0.228 0.030 . 1 . . . . 83 LEU HD2 . 11114 1 970 . 1 1 83 83 LEU HD23 H 1 0.228 0.030 . 1 . . . . 83 LEU HD2 . 11114 1 971 . 1 1 83 83 LEU HG H 1 1.344 0.030 . 1 . . . . 83 LEU HG . 11114 1 972 . 1 1 83 83 LEU C C 13 175.760 0.300 . 1 . . . . 83 LEU C . 11114 1 973 . 1 1 83 83 LEU CA C 13 53.634 0.300 . 1 . . . . 83 LEU CA . 11114 1 974 . 1 1 83 83 LEU CB C 13 43.098 0.300 . 1 . . . . 83 LEU CB . 11114 1 975 . 1 1 83 83 LEU CD1 C 13 26.034 0.300 . 2 . . . . 83 LEU CD1 . 11114 1 976 . 1 1 83 83 LEU CD2 C 13 25.664 0.300 . 2 . . . . 83 LEU CD2 . 11114 1 977 . 1 1 83 83 LEU CG C 13 27.816 0.300 . 1 . . . . 83 LEU CG . 11114 1 978 . 1 1 83 83 LEU N N 15 130.717 0.300 . 1 . . . . 83 LEU N . 11114 1 979 . 1 1 84 84 LYS H H 1 8.920 0.030 . 1 . . . . 84 LYS H . 11114 1 980 . 1 1 84 84 LYS HA H 1 5.296 0.030 . 1 . . . . 84 LYS HA . 11114 1 981 . 1 1 84 84 LYS HB2 H 1 1.957 0.030 . 2 . . . . 84 LYS HB2 . 11114 1 982 . 1 1 84 84 LYS HB3 H 1 1.464 0.030 . 2 . . . . 84 LYS HB3 . 11114 1 983 . 1 1 84 84 LYS HD2 H 1 1.652 0.030 . 2 . . . . 84 LYS HD2 . 11114 1 984 . 1 1 84 84 LYS HD3 H 1 1.343 0.030 . 2 . . . . 84 LYS HD3 . 11114 1 985 . 1 1 84 84 LYS HE2 H 1 2.734 0.030 . 2 . . . . 84 LYS HE2 . 11114 1 986 . 1 1 84 84 LYS HE3 H 1 2.492 0.030 . 2 . . . . 84 LYS HE3 . 11114 1 987 . 1 1 84 84 LYS HG2 H 1 1.676 0.030 . 2 . . . . 84 LYS HG2 . 11114 1 988 . 1 1 84 84 LYS HG3 H 1 1.251 0.030 . 2 . . . . 84 LYS HG3 . 11114 1 989 . 1 1 84 84 LYS C C 13 172.863 0.300 . 1 . . . . 84 LYS C . 11114 1 990 . 1 1 84 84 LYS CA C 13 54.457 0.300 . 1 . . . . 84 LYS CA . 11114 1 991 . 1 1 84 84 LYS CB C 13 38.511 0.300 . 1 . . . . 84 LYS CB . 11114 1 992 . 1 1 84 84 LYS CD C 13 29.384 0.300 . 1 . . . . 84 LYS CD . 11114 1 993 . 1 1 84 84 LYS CE C 13 42.194 0.300 . 1 . . . . 84 LYS CE . 11114 1 994 . 1 1 84 84 LYS CG C 13 26.050 0.300 . 1 . . . . 84 LYS CG . 11114 1 995 . 1 1 84 84 LYS N N 15 120.803 0.300 . 1 . . . . 84 LYS N . 11114 1 996 . 1 1 85 85 PHE H H 1 9.750 0.030 . 1 . . . . 85 PHE H . 11114 1 997 . 1 1 85 85 PHE HA H 1 5.866 0.030 . 1 . . . . 85 PHE HA . 11114 1 998 . 1 1 85 85 PHE HB2 H 1 3.171 0.030 . 2 . . . . 85 PHE HB2 . 11114 1 999 . 1 1 85 85 PHE HB3 H 1 2.972 0.030 . 2 . . . . 85 PHE HB3 . 11114 1 1000 . 1 1 85 85 PHE HD1 H 1 6.823 0.030 . 1 . . . . 85 PHE HD1 . 11114 1 1001 . 1 1 85 85 PHE HD2 H 1 6.823 0.030 . 1 . . . . 85 PHE HD2 . 11114 1 1002 . 1 1 85 85 PHE HE1 H 1 6.775 0.030 . 1 . . . . 85 PHE HE1 . 11114 1 1003 . 1 1 85 85 PHE HE2 H 1 6.775 0.030 . 1 . . . . 85 PHE HE2 . 11114 1 1004 . 1 1 85 85 PHE HZ H 1 7.052 0.030 . 1 . . . . 85 PHE HZ . 11114 1 1005 . 1 1 85 85 PHE C C 13 172.275 0.300 . 1 . . . . 85 PHE C . 11114 1 1006 . 1 1 85 85 PHE CA C 13 54.932 0.300 . 1 . . . . 85 PHE CA . 11114 1 1007 . 1 1 85 85 PHE CB C 13 43.486 0.300 . 1 . . . . 85 PHE CB . 11114 1 1008 . 1 1 85 85 PHE CD1 C 13 130.835 0.300 . 1 . . . . 85 PHE CD1 . 11114 1 1009 . 1 1 85 85 PHE CD2 C 13 130.835 0.300 . 1 . . . . 85 PHE CD2 . 11114 1 1010 . 1 1 85 85 PHE CE1 C 13 130.786 0.300 . 1 . . . . 85 PHE CE1 . 11114 1 1011 . 1 1 85 85 PHE CE2 C 13 130.786 0.300 . 1 . . . . 85 PHE CE2 . 11114 1 1012 . 1 1 85 85 PHE CZ C 13 129.753 0.300 . 1 . . . . 85 PHE CZ . 11114 1 1013 . 1 1 85 85 PHE N N 15 124.172 0.300 . 1 . . . . 85 PHE N . 11114 1 1014 . 1 1 86 86 PHE H H 1 9.205 0.030 . 1 . . . . 86 PHE H . 11114 1 1015 . 1 1 86 86 PHE HA H 1 5.102 0.030 . 1 . . . . 86 PHE HA . 11114 1 1016 . 1 1 86 86 PHE HB2 H 1 3.146 0.030 . 2 . . . . 86 PHE HB2 . 11114 1 1017 . 1 1 86 86 PHE HB3 H 1 2.817 0.030 . 2 . . . . 86 PHE HB3 . 11114 1 1018 . 1 1 86 86 PHE HD1 H 1 7.168 0.030 . 1 . . . . 86 PHE HD1 . 11114 1 1019 . 1 1 86 86 PHE HD2 H 1 7.168 0.030 . 1 . . . . 86 PHE HD2 . 11114 1 1020 . 1 1 86 86 PHE HE1 H 1 7.110 0.030 . 1 . . . . 86 PHE HE1 . 11114 1 1021 . 1 1 86 86 PHE HE2 H 1 7.110 0.030 . 1 . . . . 86 PHE HE2 . 11114 1 1022 . 1 1 86 86 PHE HZ H 1 6.845 0.030 . 1 . . . . 86 PHE HZ . 11114 1 1023 . 1 1 86 86 PHE CA C 13 53.698 0.300 . 1 . . . . 86 PHE CA . 11114 1 1024 . 1 1 86 86 PHE CB C 13 39.208 0.300 . 1 . . . . 86 PHE CB . 11114 1 1025 . 1 1 86 86 PHE CD1 C 13 133.378 0.300 . 1 . . . . 86 PHE CD1 . 11114 1 1026 . 1 1 86 86 PHE CD2 C 13 133.378 0.300 . 1 . . . . 86 PHE CD2 . 11114 1 1027 . 1 1 86 86 PHE CE1 C 13 130.461 0.300 . 1 . . . . 86 PHE CE1 . 11114 1 1028 . 1 1 86 86 PHE CE2 C 13 130.461 0.300 . 1 . . . . 86 PHE CE2 . 11114 1 1029 . 1 1 86 86 PHE CZ C 13 128.966 0.300 . 1 . . . . 86 PHE CZ . 11114 1 1030 . 1 1 86 86 PHE N N 15 127.609 0.300 . 1 . . . . 86 PHE N . 11114 1 1031 . 1 1 87 87 PRO HA H 1 4.091 0.030 . 1 . . . . 87 PRO HA . 11114 1 1032 . 1 1 87 87 PRO HB2 H 1 2.167 0.030 . 2 . . . . 87 PRO HB2 . 11114 1 1033 . 1 1 87 87 PRO HB3 H 1 1.769 0.030 . 2 . . . . 87 PRO HB3 . 11114 1 1034 . 1 1 87 87 PRO HD2 H 1 3.815 0.030 . 2 . . . . 87 PRO HD2 . 11114 1 1035 . 1 1 87 87 PRO HD3 H 1 3.181 0.030 . 2 . . . . 87 PRO HD3 . 11114 1 1036 . 1 1 87 87 PRO HG2 H 1 1.770 0.030 . 1 . . . . 87 PRO HG2 . 11114 1 1037 . 1 1 87 87 PRO HG3 H 1 1.770 0.030 . 1 . . . . 87 PRO HG3 . 11114 1 1038 . 1 1 87 87 PRO C C 13 176.651 0.300 . 1 . . . . 87 PRO C . 11114 1 1039 . 1 1 87 87 PRO CA C 13 62.059 0.300 . 1 . . . . 87 PRO CA . 11114 1 1040 . 1 1 87 87 PRO CB C 13 33.200 0.300 . 1 . . . . 87 PRO CB . 11114 1 1041 . 1 1 87 87 PRO CD C 13 50.595 0.300 . 1 . . . . 87 PRO CD . 11114 1 1042 . 1 1 87 87 PRO CG C 13 26.906 0.300 . 1 . . . . 87 PRO CG . 11114 1 1043 . 1 1 88 88 ALA H H 1 7.691 0.030 . 1 . . . . 88 ALA H . 11114 1 1044 . 1 1 88 88 ALA HA H 1 3.885 0.030 . 1 . . . . 88 ALA HA . 11114 1 1045 . 1 1 88 88 ALA HB1 H 1 0.907 0.030 . 1 . . . . 88 ALA HB . 11114 1 1046 . 1 1 88 88 ALA HB2 H 1 0.907 0.030 . 1 . . . . 88 ALA HB . 11114 1 1047 . 1 1 88 88 ALA HB3 H 1 0.907 0.030 . 1 . . . . 88 ALA HB . 11114 1 1048 . 1 1 88 88 ALA CA C 13 52.214 0.300 . 1 . . . . 88 ALA CA . 11114 1 1049 . 1 1 88 88 ALA CB C 13 16.969 0.300 . 1 . . . . 88 ALA CB . 11114 1 1050 . 1 1 88 88 ALA N N 15 125.540 0.300 . 1 . . . . 88 ALA N . 11114 1 1051 . 1 1 89 89 SER H H 1 7.895 0.030 . 1 . . . . 89 SER H . 11114 1 1052 . 1 1 89 89 SER HA H 1 4.661 0.030 . 1 . . . . 89 SER HA . 11114 1 1053 . 1 1 89 89 SER HB2 H 1 3.885 0.030 . 2 . . . . 89 SER HB2 . 11114 1 1054 . 1 1 89 89 SER HB3 H 1 3.710 0.030 . 2 . . . . 89 SER HB3 . 11114 1 1055 . 1 1 89 89 SER CA C 13 56.951 0.300 . 1 . . . . 89 SER CA . 11114 1 1056 . 1 1 89 89 SER CB C 13 64.873 0.300 . 1 . . . . 89 SER CB . 11114 1 1057 . 1 1 90 90 ALA H H 1 8.959 0.030 . 1 . . . . 90 ALA H . 11114 1 1058 . 1 1 90 90 ALA HA H 1 4.442 0.030 . 1 . . . . 90 ALA HA . 11114 1 1059 . 1 1 90 90 ALA HB1 H 1 1.412 0.030 . 1 . . . . 90 ALA HB . 11114 1 1060 . 1 1 90 90 ALA HB2 H 1 1.412 0.030 . 1 . . . . 90 ALA HB . 11114 1 1061 . 1 1 90 90 ALA HB3 H 1 1.412 0.030 . 1 . . . . 90 ALA HB . 11114 1 1062 . 1 1 90 90 ALA C C 13 177.644 0.300 . 1 . . . . 90 ALA C . 11114 1 1063 . 1 1 90 90 ALA CA C 13 53.052 0.300 . 1 . . . . 90 ALA CA . 11114 1 1064 . 1 1 90 90 ALA CB C 13 18.806 0.300 . 1 . . . . 90 ALA CB . 11114 1 1065 . 1 1 91 91 ASP H H 1 8.205 0.030 . 1 . . . . 91 ASP H . 11114 1 1066 . 1 1 91 91 ASP HA H 1 4.565 0.030 . 1 . . . . 91 ASP HA . 11114 1 1067 . 1 1 91 91 ASP HB2 H 1 2.639 0.030 . 2 . . . . 91 ASP HB2 . 11114 1 1068 . 1 1 91 91 ASP C C 13 175.901 0.300 . 1 . . . . 91 ASP C . 11114 1 1069 . 1 1 91 91 ASP CA C 13 53.990 0.300 . 1 . . . . 91 ASP CA . 11114 1 1070 . 1 1 91 91 ASP CB C 13 41.271 0.300 . 1 . . . . 91 ASP CB . 11114 1 1071 . 1 1 91 91 ASP N N 15 117.377 0.300 . 1 . . . . 91 ASP N . 11114 1 1072 . 1 1 92 92 ARG H H 1 8.253 0.030 . 1 . . . . 92 ARG H . 11114 1 1073 . 1 1 92 92 ARG HA H 1 4.075 0.030 . 1 . . . . 92 ARG HA . 11114 1 1074 . 1 1 92 92 ARG HB2 H 1 1.435 0.030 . 2 . . . . 92 ARG HB2 . 11114 1 1075 . 1 1 92 92 ARG HB3 H 1 0.989 0.030 . 2 . . . . 92 ARG HB3 . 11114 1 1076 . 1 1 92 92 ARG HD2 H 1 2.838 0.030 . 1 . . . . 92 ARG HD2 . 11114 1 1077 . 1 1 92 92 ARG HD3 H 1 2.838 0.030 . 1 . . . . 92 ARG HD3 . 11114 1 1078 . 1 1 92 92 ARG HE H 1 6.925 0.030 . 1 . . . . 92 ARG HE . 11114 1 1079 . 1 1 92 92 ARG HG2 H 1 1.652 0.030 . 2 . . . . 92 ARG HG2 . 11114 1 1080 . 1 1 92 92 ARG HG3 H 1 1.516 0.030 . 2 . . . . 92 ARG HG3 . 11114 1 1081 . 1 1 92 92 ARG C C 13 175.152 0.300 . 1 . . . . 92 ARG C . 11114 1 1082 . 1 1 92 92 ARG CA C 13 57.144 0.300 . 1 . . . . 92 ARG CA . 11114 1 1083 . 1 1 92 92 ARG CB C 13 27.506 0.300 . 1 . . . . 92 ARG CB . 11114 1 1084 . 1 1 92 92 ARG CD C 13 43.572 0.300 . 1 . . . . 92 ARG CD . 11114 1 1085 . 1 1 92 92 ARG CG C 13 27.514 0.300 . 1 . . . . 92 ARG CG . 11114 1 1086 . 1 1 92 92 ARG NE N 15 83.658 0.300 . 1 . . . . 92 ARG NE . 11114 1 1087 . 1 1 93 93 THR H H 1 7.556 0.030 . 1 . . . . 93 THR H . 11114 1 1088 . 1 1 93 93 THR HA H 1 4.133 0.030 . 1 . . . . 93 THR HA . 11114 1 1089 . 1 1 93 93 THR HB H 1 3.887 0.030 . 1 . . . . 93 THR HB . 11114 1 1090 . 1 1 93 93 THR HG21 H 1 1.157 0.030 . 1 . . . . 93 THR HG2 . 11114 1 1091 . 1 1 93 93 THR HG22 H 1 1.157 0.030 . 1 . . . . 93 THR HG2 . 11114 1 1092 . 1 1 93 93 THR HG23 H 1 1.157 0.030 . 1 . . . . 93 THR HG2 . 11114 1 1093 . 1 1 93 93 THR C C 13 173.450 0.300 . 1 . . . . 93 THR C . 11114 1 1094 . 1 1 93 93 THR CA C 13 63.841 0.300 . 1 . . . . 93 THR CA . 11114 1 1095 . 1 1 93 93 THR CB C 13 70.215 0.300 . 1 . . . . 93 THR CB . 11114 1 1096 . 1 1 93 93 THR CG2 C 13 22.103 0.300 . 1 . . . . 93 THR CG2 . 11114 1 1097 . 1 1 93 93 THR N N 15 116.266 0.300 . 1 . . . . 93 THR N . 11114 1 1098 . 1 1 94 94 VAL H H 1 8.375 0.030 . 1 . . . . 94 VAL H . 11114 1 1099 . 1 1 94 94 VAL HA H 1 4.345 0.030 . 1 . . . . 94 VAL HA . 11114 1 1100 . 1 1 94 94 VAL HB H 1 1.960 0.030 . 1 . . . . 94 VAL HB . 11114 1 1101 . 1 1 94 94 VAL HG11 H 1 0.591 0.030 . 1 . . . . 94 VAL HG1 . 11114 1 1102 . 1 1 94 94 VAL HG12 H 1 0.591 0.030 . 1 . . . . 94 VAL HG1 . 11114 1 1103 . 1 1 94 94 VAL HG13 H 1 0.591 0.030 . 1 . . . . 94 VAL HG1 . 11114 1 1104 . 1 1 94 94 VAL HG21 H 1 1.013 0.030 . 1 . . . . 94 VAL HG2 . 11114 1 1105 . 1 1 94 94 VAL HG22 H 1 1.013 0.030 . 1 . . . . 94 VAL HG2 . 11114 1 1106 . 1 1 94 94 VAL HG23 H 1 1.013 0.030 . 1 . . . . 94 VAL HG2 . 11114 1 1107 . 1 1 94 94 VAL C C 13 175.152 0.300 . 1 . . . . 94 VAL C . 11114 1 1108 . 1 1 94 94 VAL CA C 13 61.363 0.300 . 1 . . . . 94 VAL CA . 11114 1 1109 . 1 1 94 94 VAL CB C 13 34.387 0.300 . 1 . . . . 94 VAL CB . 11114 1 1110 . 1 1 94 94 VAL CG1 C 13 21.307 0.300 . 2 . . . . 94 VAL CG1 . 11114 1 1111 . 1 1 94 94 VAL CG2 C 13 21.672 0.300 . 2 . . . . 94 VAL CG2 . 11114 1 1112 . 1 1 94 94 VAL N N 15 124.603 0.300 . 1 . . . . 94 VAL N . 11114 1 1113 . 1 1 95 95 ILE H H 1 9.458 0.030 . 1 . . . . 95 ILE H . 11114 1 1114 . 1 1 95 95 ILE HA H 1 4.457 0.030 . 1 . . . . 95 ILE HA . 11114 1 1115 . 1 1 95 95 ILE HB H 1 2.131 0.030 . 1 . . . . 95 ILE HB . 11114 1 1116 . 1 1 95 95 ILE HD11 H 1 0.961 0.030 . 1 . . . . 95 ILE HD1 . 11114 1 1117 . 1 1 95 95 ILE HD12 H 1 0.961 0.030 . 1 . . . . 95 ILE HD1 . 11114 1 1118 . 1 1 95 95 ILE HD13 H 1 0.961 0.030 . 1 . . . . 95 ILE HD1 . 11114 1 1119 . 1 1 95 95 ILE HG12 H 1 1.518 0.030 . 2 . . . . 95 ILE HG12 . 11114 1 1120 . 1 1 95 95 ILE HG13 H 1 1.214 0.030 . 2 . . . . 95 ILE HG13 . 11114 1 1121 . 1 1 95 95 ILE HG21 H 1 1.228 0.030 . 1 . . . . 95 ILE HG2 . 11114 1 1122 . 1 1 95 95 ILE HG22 H 1 1.228 0.030 . 1 . . . . 95 ILE HG2 . 11114 1 1123 . 1 1 95 95 ILE HG23 H 1 1.228 0.030 . 1 . . . . 95 ILE HG2 . 11114 1 1124 . 1 1 95 95 ILE C C 13 175.315 0.300 . 1 . . . . 95 ILE C . 11114 1 1125 . 1 1 95 95 ILE CA C 13 59.755 0.300 . 1 . . . . 95 ILE CA . 11114 1 1126 . 1 1 95 95 ILE CB C 13 41.225 0.300 . 1 . . . . 95 ILE CB . 11114 1 1127 . 1 1 95 95 ILE CD1 C 13 13.067 0.300 . 1 . . . . 95 ILE CD1 . 11114 1 1128 . 1 1 95 95 ILE CG1 C 13 27.724 0.300 . 1 . . . . 95 ILE CG1 . 11114 1 1129 . 1 1 95 95 ILE CG2 C 13 17.294 0.300 . 1 . . . . 95 ILE CG2 . 11114 1 1130 . 1 1 95 95 ILE N N 15 129.380 0.300 . 1 . . . . 95 ILE N . 11114 1 1131 . 1 1 96 96 ASP H H 1 8.901 0.030 . 1 . . . . 96 ASP H . 11114 1 1132 . 1 1 96 96 ASP HA H 1 4.846 0.030 . 1 . . . . 96 ASP HA . 11114 1 1133 . 1 1 96 96 ASP HB2 H 1 2.577 0.030 . 1 . . . . 96 ASP HB2 . 11114 1 1134 . 1 1 96 96 ASP HB3 H 1 2.577 0.030 . 1 . . . . 96 ASP HB3 . 11114 1 1135 . 1 1 96 96 ASP C C 13 175.152 0.300 . 1 . . . . 96 ASP C . 11114 1 1136 . 1 1 96 96 ASP CA C 13 54.932 0.300 . 1 . . . . 96 ASP CA . 11114 1 1137 . 1 1 96 96 ASP CB C 13 41.499 0.300 . 1 . . . . 96 ASP CB . 11114 1 1138 . 1 1 96 96 ASP N N 15 128.388 0.300 . 1 . . . . 96 ASP N . 11114 1 1139 . 1 1 97 97 TYR H H 1 8.135 0.030 . 1 . . . . 97 TYR H . 11114 1 1140 . 1 1 97 97 TYR HA H 1 4.278 0.030 . 1 . . . . 97 TYR HA . 11114 1 1141 . 1 1 97 97 TYR HB2 H 1 3.022 0.030 . 2 . . . . 97 TYR HB2 . 11114 1 1142 . 1 1 97 97 TYR HB3 H 1 2.316 0.030 . 2 . . . . 97 TYR HB3 . 11114 1 1143 . 1 1 97 97 TYR HD1 H 1 6.703 0.030 . 1 . . . . 97 TYR HD1 . 11114 1 1144 . 1 1 97 97 TYR HD2 H 1 6.703 0.030 . 1 . . . . 97 TYR HD2 . 11114 1 1145 . 1 1 97 97 TYR HE1 H 1 6.414 0.030 . 1 . . . . 97 TYR HE1 . 11114 1 1146 . 1 1 97 97 TYR HE2 H 1 6.414 0.030 . 1 . . . . 97 TYR HE2 . 11114 1 1147 . 1 1 97 97 TYR C C 13 174.648 0.300 . 1 . . . . 97 TYR C . 11114 1 1148 . 1 1 97 97 TYR CA C 13 58.299 0.300 . 1 . . . . 97 TYR CA . 11114 1 1149 . 1 1 97 97 TYR CB C 13 39.376 0.300 . 1 . . . . 97 TYR CB . 11114 1 1150 . 1 1 97 97 TYR CD1 C 13 130.528 0.300 . 1 . . . . 97 TYR CD1 . 11114 1 1151 . 1 1 97 97 TYR CD2 C 13 130.528 0.300 . 1 . . . . 97 TYR CD2 . 11114 1 1152 . 1 1 97 97 TYR CE1 C 13 118.196 0.300 . 1 . . . . 97 TYR CE1 . 11114 1 1153 . 1 1 97 97 TYR CE2 C 13 118.196 0.300 . 1 . . . . 97 TYR CE2 . 11114 1 1154 . 1 1 97 97 TYR N N 15 121.425 0.300 . 1 . . . . 97 TYR N . 11114 1 1155 . 1 1 98 98 ASN H H 1 8.333 0.030 . 1 . . . . 98 ASN H . 11114 1 1156 . 1 1 98 98 ASN HA H 1 4.905 0.030 . 1 . . . . 98 ASN HA . 11114 1 1157 . 1 1 98 98 ASN HB2 H 1 2.801 0.030 . 2 . . . . 98 ASN HB2 . 11114 1 1158 . 1 1 98 98 ASN HB3 H 1 2.464 0.030 . 2 . . . . 98 ASN HB3 . 11114 1 1159 . 1 1 98 98 ASN HD21 H 1 7.515 0.030 . 2 . . . . 98 ASN HD21 . 11114 1 1160 . 1 1 98 98 ASN HD22 H 1 7.002 0.030 . 2 . . . . 98 ASN HD22 . 11114 1 1161 . 1 1 98 98 ASN CA C 13 52.212 0.300 . 1 . . . . 98 ASN CA . 11114 1 1162 . 1 1 98 98 ASN CB C 13 39.790 0.300 . 1 . . . . 98 ASN CB . 11114 1 1163 . 1 1 98 98 ASN N N 15 127.800 0.300 . 1 . . . . 98 ASN N . 11114 1 1164 . 1 1 98 98 ASN ND2 N 15 113.382 0.300 . 1 . . . . 98 ASN ND2 . 11114 1 1165 . 1 1 99 99 GLY H H 1 5.152 0.030 . 1 . . . . 99 GLY H . 11114 1 1166 . 1 1 99 99 GLY HA2 H 1 4.111 0.030 . 2 . . . . 99 GLY HA2 . 11114 1 1167 . 1 1 99 99 GLY HA3 H 1 3.398 0.030 . 2 . . . . 99 GLY HA3 . 11114 1 1168 . 1 1 99 99 GLY C C 13 173.106 0.300 . 1 . . . . 99 GLY C . 11114 1 1169 . 1 1 99 99 GLY CA C 13 44.171 0.300 . 1 . . . . 99 GLY CA . 11114 1 1170 . 1 1 100 100 GLU H H 1 8.703 0.030 . 1 . . . . 100 GLU H . 11114 1 1171 . 1 1 100 100 GLU HA H 1 4.167 0.030 . 1 . . . . 100 GLU HA . 11114 1 1172 . 1 1 100 100 GLU HB2 H 1 1.962 0.030 . 2 . . . . 100 GLU HB2 . 11114 1 1173 . 1 1 100 100 GLU HB3 H 1 1.830 0.030 . 2 . . . . 100 GLU HB3 . 11114 1 1174 . 1 1 100 100 GLU HG2 H 1 2.284 0.030 . 2 . . . . 100 GLU HG2 . 11114 1 1175 . 1 1 100 100 GLU HG3 H 1 2.247 0.030 . 2 . . . . 100 GLU HG3 . 11114 1 1176 . 1 1 100 100 GLU C C 13 178.818 0.300 . 1 . . . . 100 GLU C . 11114 1 1177 . 1 1 100 100 GLU CA C 13 56.706 0.300 . 1 . . . . 100 GLU CA . 11114 1 1178 . 1 1 100 100 GLU CB C 13 30.451 0.300 . 1 . . . . 100 GLU CB . 11114 1 1179 . 1 1 100 100 GLU CG C 13 36.271 0.300 . 1 . . . . 100 GLU CG . 11114 1 1180 . 1 1 100 100 GLU N N 15 118.432 0.300 . 1 . . . . 100 GLU N . 11114 1 1181 . 1 1 101 101 ARG H H 1 9.348 0.030 . 1 . . . . 101 ARG H . 11114 1 1182 . 1 1 101 101 ARG HA H 1 4.199 0.030 . 1 . . . . 101 ARG HA . 11114 1 1183 . 1 1 101 101 ARG HB2 H 1 1.883 0.030 . 1 . . . . 101 ARG HB2 . 11114 1 1184 . 1 1 101 101 ARG HB3 H 1 1.883 0.030 . 1 . . . . 101 ARG HB3 . 11114 1 1185 . 1 1 101 101 ARG HD2 H 1 3.329 0.030 . 2 . . . . 101 ARG HD2 . 11114 1 1186 . 1 1 101 101 ARG HD3 H 1 3.257 0.030 . 2 . . . . 101 ARG HD3 . 11114 1 1187 . 1 1 101 101 ARG HG2 H 1 1.981 0.030 . 2 . . . . 101 ARG HG2 . 11114 1 1188 . 1 1 101 101 ARG HG3 H 1 1.601 0.030 . 2 . . . . 101 ARG HG3 . 11114 1 1189 . 1 1 101 101 ARG C C 13 173.936 0.300 . 1 . . . . 101 ARG C . 11114 1 1190 . 1 1 101 101 ARG CA C 13 55.514 0.300 . 1 . . . . 101 ARG CA . 11114 1 1191 . 1 1 101 101 ARG CB C 13 27.869 0.300 . 1 . . . . 101 ARG CB . 11114 1 1192 . 1 1 101 101 ARG CD C 13 44.445 0.300 . 1 . . . . 101 ARG CD . 11114 1 1193 . 1 1 101 101 ARG CG C 13 28.445 0.300 . 1 . . . . 101 ARG CG . 11114 1 1194 . 1 1 101 101 ARG N N 15 129.910 0.300 . 1 . . . . 101 ARG N . 11114 1 1195 . 1 1 102 102 THR H H 1 6.840 0.030 . 1 . . . . 102 THR H . 11114 1 1196 . 1 1 102 102 THR HA H 1 4.361 0.030 . 1 . . . . 102 THR HA . 11114 1 1197 . 1 1 102 102 THR HB H 1 4.386 0.030 . 1 . . . . 102 THR HB . 11114 1 1198 . 1 1 102 102 THR HG21 H 1 1.049 0.030 . 1 . . . . 102 THR HG2 . 11114 1 1199 . 1 1 102 102 THR HG22 H 1 1.049 0.030 . 1 . . . . 102 THR HG2 . 11114 1 1200 . 1 1 102 102 THR HG23 H 1 1.049 0.030 . 1 . . . . 102 THR HG2 . 11114 1 1201 . 1 1 102 102 THR C C 13 172.539 0.300 . 1 . . . . 102 THR C . 11114 1 1202 . 1 1 102 102 THR CA C 13 57.370 0.300 . 1 . . . . 102 THR CA . 11114 1 1203 . 1 1 102 102 THR CB C 13 71.911 0.300 . 1 . . . . 102 THR CB . 11114 1 1204 . 1 1 102 102 THR CG2 C 13 21.572 0.300 . 1 . . . . 102 THR CG2 . 11114 1 1205 . 1 1 102 102 THR N N 15 108.375 0.300 . 1 . . . . 102 THR N . 11114 1 1206 . 1 1 103 103 LEU H H 1 9.017 0.030 . 1 . . . . 103 LEU H . 11114 1 1207 . 1 1 103 103 LEU HA H 1 4.036 0.030 . 1 . . . . 103 LEU HA . 11114 1 1208 . 1 1 103 103 LEU HB2 H 1 1.835 0.030 . 2 . . . . 103 LEU HB2 . 11114 1 1209 . 1 1 103 103 LEU HB3 H 1 1.597 0.030 . 2 . . . . 103 LEU HB3 . 11114 1 1210 . 1 1 103 103 LEU HD11 H 1 0.990 0.030 . 1 . . . . 103 LEU HD1 . 11114 1 1211 . 1 1 103 103 LEU HD12 H 1 0.990 0.030 . 1 . . . . 103 LEU HD1 . 11114 1 1212 . 1 1 103 103 LEU HD13 H 1 0.990 0.030 . 1 . . . . 103 LEU HD1 . 11114 1 1213 . 1 1 103 103 LEU HD21 H 1 0.945 0.030 . 1 . . . . 103 LEU HD2 . 11114 1 1214 . 1 1 103 103 LEU HD22 H 1 0.945 0.030 . 1 . . . . 103 LEU HD2 . 11114 1 1215 . 1 1 103 103 LEU HD23 H 1 0.945 0.030 . 1 . . . . 103 LEU HD2 . 11114 1 1216 . 1 1 103 103 LEU HG H 1 1.676 0.030 . 1 . . . . 103 LEU HG . 11114 1 1217 . 1 1 103 103 LEU C C 13 178.332 0.300 . 1 . . . . 103 LEU C . 11114 1 1218 . 1 1 103 103 LEU CA C 13 58.938 0.300 . 1 . . . . 103 LEU CA . 11114 1 1219 . 1 1 103 103 LEU CB C 13 41.556 0.300 . 1 . . . . 103 LEU CB . 11114 1 1220 . 1 1 103 103 LEU CD1 C 13 23.967 0.300 . 2 . . . . 103 LEU CD1 . 11114 1 1221 . 1 1 103 103 LEU CD2 C 13 25.527 0.300 . 2 . . . . 103 LEU CD2 . 11114 1 1222 . 1 1 103 103 LEU CG C 13 27.180 0.300 . 1 . . . . 103 LEU CG . 11114 1 1223 . 1 1 103 103 LEU N N 15 122.579 0.300 . 1 . . . . 103 LEU N . 11114 1 1224 . 1 1 104 104 ASP H H 1 8.331 0.030 . 1 . . . . 104 ASP H . 11114 1 1225 . 1 1 104 104 ASP HA H 1 4.323 0.030 . 1 . . . . 104 ASP HA . 11114 1 1226 . 1 1 104 104 ASP HB2 H 1 2.493 0.030 . 1 . . . . 104 ASP HB2 . 11114 1 1227 . 1 1 104 104 ASP HB3 H 1 2.493 0.030 . 1 . . . . 104 ASP HB3 . 11114 1 1228 . 1 1 104 104 ASP C C 13 178.697 0.300 . 1 . . . . 104 ASP C . 11114 1 1229 . 1 1 104 104 ASP CA C 13 57.557 0.300 . 1 . . . . 104 ASP CA . 11114 1 1230 . 1 1 104 104 ASP CB C 13 41.072 0.300 . 1 . . . . 104 ASP CB . 11114 1 1231 . 1 1 104 104 ASP N N 15 115.420 0.300 . 1 . . . . 104 ASP N . 11114 1 1232 . 1 1 105 105 GLY H H 1 8.225 0.030 . 1 . . . . 105 GLY H . 11114 1 1233 . 1 1 105 105 GLY HA2 H 1 3.767 0.030 . 2 . . . . 105 GLY HA2 . 11114 1 1234 . 1 1 105 105 GLY HA3 H 1 3.560 0.030 . 2 . . . . 105 GLY HA3 . 11114 1 1235 . 1 1 105 105 GLY C C 13 177.259 0.300 . 1 . . . . 105 GLY C . 11114 1 1236 . 1 1 105 105 GLY CA C 13 47.117 0.300 . 1 . . . . 105 GLY CA . 11114 1 1237 . 1 1 105 105 GLY N N 15 109.791 0.300 . 1 . . . . 105 GLY N . 11114 1 1238 . 1 1 106 106 PHE H H 1 8.568 0.030 . 1 . . . . 106 PHE H . 11114 1 1239 . 1 1 106 106 PHE HA H 1 4.532 0.030 . 1 . . . . 106 PHE HA . 11114 1 1240 . 1 1 106 106 PHE HB2 H 1 3.288 0.030 . 2 . . . . 106 PHE HB2 . 11114 1 1241 . 1 1 106 106 PHE HB3 H 1 3.189 0.030 . 2 . . . . 106 PHE HB3 . 11114 1 1242 . 1 1 106 106 PHE HD1 H 1 6.799 0.030 . 1 . . . . 106 PHE HD1 . 11114 1 1243 . 1 1 106 106 PHE HD2 H 1 6.799 0.030 . 1 . . . . 106 PHE HD2 . 11114 1 1244 . 1 1 106 106 PHE HE1 H 1 7.044 0.030 . 1 . . . . 106 PHE HE1 . 11114 1 1245 . 1 1 106 106 PHE HE2 H 1 7.044 0.030 . 1 . . . . 106 PHE HE2 . 11114 1 1246 . 1 1 106 106 PHE HZ H 1 6.927 0.030 . 1 . . . . 106 PHE HZ . 11114 1 1247 . 1 1 106 106 PHE C C 13 178.287 0.300 . 1 . . . . 106 PHE C . 11114 1 1248 . 1 1 106 106 PHE CA C 13 58.426 0.300 . 1 . . . . 106 PHE CA . 11114 1 1249 . 1 1 106 106 PHE CB C 13 39.833 0.300 . 1 . . . . 106 PHE CB . 11114 1 1250 . 1 1 106 106 PHE CD1 C 13 131.409 0.300 . 1 . . . . 106 PHE CD1 . 11114 1 1251 . 1 1 106 106 PHE CD2 C 13 131.409 0.300 . 1 . . . . 106 PHE CD2 . 11114 1 1252 . 1 1 106 106 PHE CE1 C 13 130.432 0.300 . 1 . . . . 106 PHE CE1 . 11114 1 1253 . 1 1 106 106 PHE CE2 C 13 130.432 0.300 . 1 . . . . 106 PHE CE2 . 11114 1 1254 . 1 1 106 106 PHE CZ C 13 127.833 0.300 . 1 . . . . 106 PHE CZ . 11114 1 1255 . 1 1 106 106 PHE N N 15 121.479 0.300 . 1 . . . . 106 PHE N . 11114 1 1256 . 1 1 107 107 LYS H H 1 8.722 0.030 . 1 . . . . 107 LYS H . 11114 1 1257 . 1 1 107 107 LYS HA H 1 4.193 0.030 . 1 . . . . 107 LYS HA . 11114 1 1258 . 1 1 107 107 LYS HB2 H 1 1.979 0.030 . 2 . . . . 107 LYS HB2 . 11114 1 1259 . 1 1 107 107 LYS HB3 H 1 1.906 0.030 . 2 . . . . 107 LYS HB3 . 11114 1 1260 . 1 1 107 107 LYS HD2 H 1 1.675 0.030 . 1 . . . . 107 LYS HD2 . 11114 1 1261 . 1 1 107 107 LYS HD3 H 1 1.675 0.030 . 1 . . . . 107 LYS HD3 . 11114 1 1262 . 1 1 107 107 LYS HE2 H 1 2.945 0.030 . 2 . . . . 107 LYS HE2 . 11114 1 1263 . 1 1 107 107 LYS HE3 H 1 2.829 0.030 . 2 . . . . 107 LYS HE3 . 11114 1 1264 . 1 1 107 107 LYS HG2 H 1 1.911 0.030 . 2 . . . . 107 LYS HG2 . 11114 1 1265 . 1 1 107 107 LYS HG3 H 1 1.625 0.030 . 2 . . . . 107 LYS HG3 . 11114 1 1266 . 1 1 107 107 LYS C C 13 178.332 0.300 . 1 . . . . 107 LYS C . 11114 1 1267 . 1 1 107 107 LYS CA C 13 60.655 0.300 . 1 . . . . 107 LYS CA . 11114 1 1268 . 1 1 107 107 LYS CB C 13 32.801 0.300 . 1 . . . . 107 LYS CB . 11114 1 1269 . 1 1 107 107 LYS CD C 13 30.024 0.300 . 1 . . . . 107 LYS CD . 11114 1 1270 . 1 1 107 107 LYS CE C 13 41.628 0.300 . 1 . . . . 107 LYS CE . 11114 1 1271 . 1 1 107 107 LYS CG C 13 25.446 0.300 . 1 . . . . 107 LYS CG . 11114 1 1272 . 1 1 107 107 LYS N N 15 118.476 0.300 . 1 . . . . 107 LYS N . 11114 1 1273 . 1 1 108 108 LYS H H 1 8.090 0.030 . 1 . . . . 108 LYS H . 11114 1 1274 . 1 1 108 108 LYS HA H 1 3.985 0.030 . 1 . . . . 108 LYS HA . 11114 1 1275 . 1 1 108 108 LYS HB2 H 1 1.951 0.030 . 2 . . . . 108 LYS HB2 . 11114 1 1276 . 1 1 108 108 LYS HD2 H 1 1.678 0.030 . 2 . . . . 108 LYS HD2 . 11114 1 1277 . 1 1 108 108 LYS HE2 H 1 2.978 0.030 . 2 . . . . 108 LYS HE2 . 11114 1 1278 . 1 1 108 108 LYS HG2 H 1 1.600 0.030 . 2 . . . . 108 LYS HG2 . 11114 1 1279 . 1 1 108 108 LYS HG3 H 1 1.495 0.030 . 2 . . . . 108 LYS HG3 . 11114 1 1280 . 1 1 108 108 LYS C C 13 179.811 0.300 . 1 . . . . 108 LYS C . 11114 1 1281 . 1 1 108 108 LYS CA C 13 59.593 0.300 . 1 . . . . 108 LYS CA . 11114 1 1282 . 1 1 108 108 LYS CB C 13 32.368 0.300 . 1 . . . . 108 LYS CB . 11114 1 1283 . 1 1 108 108 LYS CD C 13 29.183 0.300 . 1 . . . . 108 LYS CD . 11114 1 1284 . 1 1 108 108 LYS CE C 13 42.194 0.300 . 1 . . . . 108 LYS CE . 11114 1 1285 . 1 1 108 108 LYS CG C 13 25.446 0.300 . 1 . . . . 108 LYS CG . 11114 1 1286 . 1 1 108 108 LYS N N 15 118.162 0.300 . 1 . . . . 108 LYS N . 11114 1 1287 . 1 1 109 109 PHE H H 1 7.875 0.030 . 1 . . . . 109 PHE H . 11114 1 1288 . 1 1 109 109 PHE HA H 1 4.296 0.030 . 1 . . . . 109 PHE HA . 11114 1 1289 . 1 1 109 109 PHE HB2 H 1 3.459 0.030 . 2 . . . . 109 PHE HB2 . 11114 1 1290 . 1 1 109 109 PHE HB3 H 1 3.229 0.030 . 2 . . . . 109 PHE HB3 . 11114 1 1291 . 1 1 109 109 PHE HD1 H 1 6.697 0.030 . 1 . . . . 109 PHE HD1 . 11114 1 1292 . 1 1 109 109 PHE HD2 H 1 6.697 0.030 . 1 . . . . 109 PHE HD2 . 11114 1 1293 . 1 1 109 109 PHE HE1 H 1 6.443 0.030 . 1 . . . . 109 PHE HE1 . 11114 1 1294 . 1 1 109 109 PHE HE2 H 1 6.443 0.030 . 1 . . . . 109 PHE HE2 . 11114 1 1295 . 1 1 109 109 PHE HZ H 1 6.765 0.030 . 1 . . . . 109 PHE HZ . 11114 1 1296 . 1 1 109 109 PHE C C 13 177.502 0.300 . 1 . . . . 109 PHE C . 11114 1 1297 . 1 1 109 109 PHE CA C 13 60.655 0.300 . 1 . . . . 109 PHE CA . 11114 1 1298 . 1 1 109 109 PHE CB C 13 40.335 0.300 . 1 . . . . 109 PHE CB . 11114 1 1299 . 1 1 109 109 PHE CD1 C 13 132.294 0.300 . 1 . . . . 109 PHE CD1 . 11114 1 1300 . 1 1 109 109 PHE CD2 C 13 132.294 0.300 . 1 . . . . 109 PHE CD2 . 11114 1 1301 . 1 1 109 109 PHE CE1 C 13 131.339 0.300 . 1 . . . . 109 PHE CE1 . 11114 1 1302 . 1 1 109 109 PHE CE2 C 13 131.339 0.300 . 1 . . . . 109 PHE CE2 . 11114 1 1303 . 1 1 109 109 PHE CZ C 13 128.364 0.300 . 1 . . . . 109 PHE CZ . 11114 1 1304 . 1 1 109 109 PHE N N 15 120.142 0.300 . 1 . . . . 109 PHE N . 11114 1 1305 . 1 1 110 110 LEU H H 1 8.389 0.030 . 1 . . . . 110 LEU H . 11114 1 1306 . 1 1 110 110 LEU HA H 1 3.179 0.030 . 1 . . . . 110 LEU HA . 11114 1 1307 . 1 1 110 110 LEU HB2 H 1 1.875 0.030 . 2 . . . . 110 LEU HB2 . 11114 1 1308 . 1 1 110 110 LEU HB3 H 1 0.865 0.030 . 2 . . . . 110 LEU HB3 . 11114 1 1309 . 1 1 110 110 LEU HD11 H 1 0.401 0.030 . 1 . . . . 110 LEU HD1 . 11114 1 1310 . 1 1 110 110 LEU HD12 H 1 0.401 0.030 . 1 . . . . 110 LEU HD1 . 11114 1 1311 . 1 1 110 110 LEU HD13 H 1 0.401 0.030 . 1 . . . . 110 LEU HD1 . 11114 1 1312 . 1 1 110 110 LEU HD21 H 1 0.050 0.030 . 1 . . . . 110 LEU HD2 . 11114 1 1313 . 1 1 110 110 LEU HD22 H 1 0.050 0.030 . 1 . . . . 110 LEU HD2 . 11114 1 1314 . 1 1 110 110 LEU HD23 H 1 0.050 0.030 . 1 . . . . 110 LEU HD2 . 11114 1 1315 . 1 1 110 110 LEU HG H 1 1.498 0.030 . 1 . . . . 110 LEU HG . 11114 1 1316 . 1 1 110 110 LEU C C 13 180.419 0.300 . 1 . . . . 110 LEU C . 11114 1 1317 . 1 1 110 110 LEU CA C 13 57.587 0.300 . 1 . . . . 110 LEU CA . 11114 1 1318 . 1 1 110 110 LEU CB C 13 41.729 0.300 . 1 . . . . 110 LEU CB . 11114 1 1319 . 1 1 110 110 LEU CD1 C 13 27.190 0.300 . 2 . . . . 110 LEU CD1 . 11114 1 1320 . 1 1 110 110 LEU CD2 C 13 22.520 0.300 . 2 . . . . 110 LEU CD2 . 11114 1 1321 . 1 1 110 110 LEU CG C 13 26.606 0.300 . 1 . . . . 110 LEU CG . 11114 1 1322 . 1 1 110 110 LEU N N 15 120.884 0.300 . 1 . . . . 110 LEU N . 11114 1 1323 . 1 1 111 111 GLU H H 1 8.727 0.030 . 1 . . . . 111 GLU H . 11114 1 1324 . 1 1 111 111 GLU HA H 1 4.050 0.030 . 1 . . . . 111 GLU HA . 11114 1 1325 . 1 1 111 111 GLU HB2 H 1 2.146 0.030 . 2 . . . . 111 GLU HB2 . 11114 1 1326 . 1 1 111 111 GLU HB3 H 1 2.003 0.030 . 2 . . . . 111 GLU HB3 . 11114 1 1327 . 1 1 111 111 GLU HG2 H 1 2.489 0.030 . 2 . . . . 111 GLU HG2 . 11114 1 1328 . 1 1 111 111 GLU HG3 H 1 2.442 0.030 . 2 . . . . 111 GLU HG3 . 11114 1 1329 . 1 1 111 111 GLU C C 13 177.806 0.300 . 1 . . . . 111 GLU C . 11114 1 1330 . 1 1 111 111 GLU CA C 13 58.201 0.300 . 1 . . . . 111 GLU CA . 11114 1 1331 . 1 1 111 111 GLU CB C 13 29.192 0.300 . 1 . . . . 111 GLU CB . 11114 1 1332 . 1 1 111 111 GLU CG C 13 36.546 0.300 . 1 . . . . 111 GLU CG . 11114 1 1333 . 1 1 111 111 GLU N N 15 118.248 0.300 . 1 . . . . 111 GLU N . 11114 1 1334 . 1 1 112 112 SER H H 1 7.427 0.030 . 1 . . . . 112 SER H . 11114 1 1335 . 1 1 112 112 SER HA H 1 4.518 0.030 . 1 . . . . 112 SER HA . 11114 1 1336 . 1 1 112 112 SER HB2 H 1 4.072 0.030 . 2 . . . . 112 SER HB2 . 11114 1 1337 . 1 1 112 112 SER HB3 H 1 3.944 0.030 . 2 . . . . 112 SER HB3 . 11114 1 1338 . 1 1 112 112 SER C C 13 175.456 0.300 . 1 . . . . 112 SER C . 11114 1 1339 . 1 1 112 112 SER CA C 13 58.442 0.300 . 1 . . . . 112 SER CA . 11114 1 1340 . 1 1 112 112 SER CB C 13 64.389 0.300 . 1 . . . . 112 SER CB . 11114 1 1341 . 1 1 112 112 SER N N 15 111.919 0.300 . 1 . . . . 112 SER N . 11114 1 1342 . 1 1 113 113 GLY H H 1 7.833 0.030 . 1 . . . . 113 GLY H . 11114 1 1343 . 1 1 113 113 GLY HA2 H 1 3.937 0.030 . 2 . . . . 113 GLY HA2 . 11114 1 1344 . 1 1 113 113 GLY HA3 H 1 3.692 0.030 . 2 . . . . 113 GLY HA3 . 11114 1 1345 . 1 1 113 113 GLY C C 13 174.808 0.300 . 1 . . . . 113 GLY C . 11114 1 1346 . 1 1 113 113 GLY CA C 13 45.989 0.300 . 1 . . . . 113 GLY CA . 11114 1 1347 . 1 1 113 113 GLY N N 15 110.979 0.300 . 1 . . . . 113 GLY N . 11114 1 1348 . 1 1 114 114 GLY H H 1 7.906 0.030 . 1 . . . . 114 GLY H . 11114 1 1349 . 1 1 114 114 GLY HA2 H 1 3.326 0.030 . 2 . . . . 114 GLY HA2 . 11114 1 1350 . 1 1 114 114 GLY HA3 H 1 2.104 0.030 . 2 . . . . 114 GLY HA3 . 11114 1 1351 . 1 1 114 114 GLY C C 13 173.552 0.300 . 1 . . . . 114 GLY C . 11114 1 1352 . 1 1 114 114 GLY CA C 13 45.049 0.300 . 1 . . . . 114 GLY CA . 11114 1 1353 . 1 1 114 114 GLY N N 15 107.049 0.300 . 1 . . . . 114 GLY N . 11114 1 1354 . 1 1 115 115 GLN H H 1 7.285 0.030 . 1 . . . . 115 GLN H . 11114 1 1355 . 1 1 115 115 GLN HA H 1 4.358 0.030 . 1 . . . . 115 GLN HA . 11114 1 1356 . 1 1 115 115 GLN HB2 H 1 2.133 0.030 . 2 . . . . 115 GLN HB2 . 11114 1 1357 . 1 1 115 115 GLN HB3 H 1 1.929 0.030 . 2 . . . . 115 GLN HB3 . 11114 1 1358 . 1 1 115 115 GLN HE21 H 1 7.458 0.030 . 2 . . . . 115 GLN HE21 . 11114 1 1359 . 1 1 115 115 GLN HE22 H 1 6.844 0.030 . 2 . . . . 115 GLN HE22 . 11114 1 1360 . 1 1 115 115 GLN HG2 H 1 2.341 0.030 . 2 . . . . 115 GLN HG2 . 11114 1 1361 . 1 1 115 115 GLN HG3 H 1 2.252 0.030 . 2 . . . . 115 GLN HG3 . 11114 1 1362 . 1 1 115 115 GLN C C 13 175.841 0.300 . 1 . . . . 115 GLN C . 11114 1 1363 . 1 1 115 115 GLN CA C 13 55.403 0.300 . 1 . . . . 115 GLN CA . 11114 1 1364 . 1 1 115 115 GLN CB C 13 29.704 0.300 . 1 . . . . 115 GLN CB . 11114 1 1365 . 1 1 115 115 GLN CG C 13 33.788 0.300 . 1 . . . . 115 GLN CG . 11114 1 1366 . 1 1 115 115 GLN N N 15 117.934 0.300 . 1 . . . . 115 GLN N . 11114 1 1367 . 1 1 115 115 GLN NE2 N 15 112.327 0.300 . 1 . . . . 115 GLN NE2 . 11114 1 1368 . 1 1 116 116 SER H H 1 8.393 0.030 . 1 . . . . 116 SER H . 11114 1 1369 . 1 1 116 116 SER HA H 1 4.534 0.030 . 1 . . . . 116 SER HA . 11114 1 1370 . 1 1 116 116 SER HB2 H 1 3.880 0.030 . 1 . . . . 116 SER HB2 . 11114 1 1371 . 1 1 116 116 SER HB3 H 1 3.880 0.030 . 1 . . . . 116 SER HB3 . 11114 1 1372 . 1 1 116 116 SER C C 13 174.605 0.300 . 1 . . . . 116 SER C . 11114 1 1373 . 1 1 116 116 SER CA C 13 58.383 0.300 . 1 . . . . 116 SER CA . 11114 1 1374 . 1 1 116 116 SER CB C 13 64.034 0.300 . 1 . . . . 116 SER CB . 11114 1 1375 . 1 1 116 116 SER N N 15 116.788 0.300 . 1 . . . . 116 SER N . 11114 1 1376 . 1 1 117 117 GLY H H 1 8.290 0.030 . 1 . . . . 117 GLY H . 11114 1 1377 . 1 1 117 117 GLY HA2 H 1 4.197 0.030 . 2 . . . . 117 GLY HA2 . 11114 1 1378 . 1 1 117 117 GLY HA3 H 1 4.074 0.030 . 2 . . . . 117 GLY HA3 . 11114 1 1379 . 1 1 117 117 GLY C C 13 171.756 0.300 . 1 . . . . 117 GLY C . 11114 1 1380 . 1 1 117 117 GLY CA C 13 44.721 0.300 . 1 . . . . 117 GLY CA . 11114 1 1381 . 1 1 117 117 GLY N N 15 110.802 0.300 . 1 . . . . 117 GLY N . 11114 1 1382 . 1 1 118 118 PRO HA H 1 4.467 0.030 . 1 . . . . 118 PRO HA . 11114 1 1383 . 1 1 118 118 PRO HB2 H 1 2.276 0.030 . 2 . . . . 118 PRO HB2 . 11114 1 1384 . 1 1 118 118 PRO HB3 H 1 1.956 0.030 . 2 . . . . 118 PRO HB3 . 11114 1 1385 . 1 1 118 118 PRO HD2 H 1 3.607 0.030 . 1 . . . . 118 PRO HD2 . 11114 1 1386 . 1 1 118 118 PRO HD3 H 1 3.607 0.030 . 1 . . . . 118 PRO HD3 . 11114 1 1387 . 1 1 118 118 PRO HG2 H 1 1.991 0.030 . 1 . . . . 118 PRO HG2 . 11114 1 1388 . 1 1 118 118 PRO HG3 H 1 1.991 0.030 . 1 . . . . 118 PRO HG3 . 11114 1 1389 . 1 1 118 118 PRO C C 13 177.380 0.300 . 1 . . . . 118 PRO C . 11114 1 1390 . 1 1 118 118 PRO CA C 13 63.192 0.300 . 1 . . . . 118 PRO CA . 11114 1 1391 . 1 1 118 118 PRO CB C 13 32.245 0.300 . 1 . . . . 118 PRO CB . 11114 1 1392 . 1 1 118 118 PRO CD C 13 49.770 0.300 . 1 . . . . 118 PRO CD . 11114 1 1393 . 1 1 118 118 PRO CG C 13 27.142 0.300 . 1 . . . . 118 PRO CG . 11114 1 1394 . 1 1 119 119 SER H H 1 8.546 0.030 . 1 . . . . 119 SER H . 11114 1 1395 . 1 1 119 119 SER HA H 1 4.491 0.030 . 1 . . . . 119 SER HA . 11114 1 1396 . 1 1 119 119 SER HB2 H 1 3.883 0.030 . 2 . . . . 119 SER HB2 . 11114 1 1397 . 1 1 119 119 SER C C 13 174.706 0.300 . 1 . . . . 119 SER C . 11114 1 1398 . 1 1 119 119 SER CA C 13 58.442 0.300 . 1 . . . . 119 SER CA . 11114 1 1399 . 1 1 119 119 SER CB C 13 63.828 0.300 . 1 . . . . 119 SER CB . 11114 1 1400 . 1 1 119 119 SER N N 15 116.449 0.300 . 1 . . . . 119 SER N . 11114 1 1401 . 1 1 120 120 SER H H 1 8.355 0.030 . 1 . . . . 120 SER H . 11114 1 1402 . 1 1 120 120 SER HA H 1 4.470 0.030 . 1 . . . . 120 SER HA . 11114 1 1403 . 1 1 120 120 SER HB2 H 1 3.894 0.030 . 2 . . . . 120 SER HB2 . 11114 1 1404 . 1 1 120 120 SER C C 13 173.957 0.300 . 1 . . . . 120 SER C . 11114 1 1405 . 1 1 120 120 SER CA C 13 58.354 0.300 . 1 . . . . 120 SER CA . 11114 1 1406 . 1 1 120 120 SER CB C 13 64.102 0.300 . 1 . . . . 120 SER CB . 11114 1 1407 . 1 1 120 120 SER N N 15 117.902 0.300 . 1 . . . . 120 SER N . 11114 1 1408 . 1 1 121 121 GLY H H 1 8.060 0.030 . 1 . . . . 121 GLY H . 11114 1 1409 . 1 1 121 121 GLY HA2 H 1 3.753 0.030 . 2 . . . . 121 GLY HA2 . 11114 1 1410 . 1 1 121 121 GLY C C 13 179.056 0.300 . 1 . . . . 121 GLY C . 11114 1 1411 . 1 1 121 121 GLY CA C 13 46.224 0.300 . 1 . . . . 121 GLY CA . 11114 1 1412 . 1 1 121 121 GLY N N 15 116.890 0.300 . 1 . . . . 121 GLY N . 11114 1 stop_ save_