data_4371 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4371 _Entry.Title ; Sequence-specific 1H, 13C and 15N Resonance Assignments of Recombinant Onconase/P-30 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-07-20 _Entry.Accession_date 1999-07-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Vitaliy Gorbatyuk . Ya. . 4371 2 Yi-Cheng Chen . . . 4371 3 Yung-Jean Wu . . . 4371 4 Richard Youle . . . 4371 5 Tai-huang Huang . . . 4371 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4371 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 4371 '15N chemical shifts' 223 4371 '1H chemical shifts' 825 4371 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 3 . . 1999-11-23 . original author 'Original release.' 4371 2 . . 2002-08-20 . update BMRB 'Modify the saveframe name.' 4371 1 . . 2003-06-16 . update author 'Add new chemical shifts.' 4371 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4371 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20149605 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Gorbatyuk, V. Y., Chen, Y-C., Wu, Y-J., Youle, R.J., and Huang, T-H., "Sequence-specific 1H, 13C and 15N Resonance Assignments of Recombinant Onconase/P-30 Protein," J. Biomol. NMR 15, 343-344 (1999). ; _Citation.Title ; Sequence-specific 1H, 13C and 15N Resonance Assignments of Recombinant Onconase/P-30 Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 15 _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 343 _Citation.Page_last 344 _Citation.Year 1999 _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 Vitaliy Gorbatyuk . Ya. . 4371 1 2 Yi-Cheng Chen . . . 4371 1 3 Yung-Jean Wu . . . 4371 1 4 Richard Youle . . . 4371 1 5 Tai-huang Huang . . . 4371 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'anti-tumor agent' 4371 1 'Cytotoxic protein' 4371 1 lectin 4371 1 'p30 protein' 4371 1 ribonuclease 4371 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_(M-1_Q1_M23L)rOnc _Assembly.Sf_category assembly _Assembly.Sf_framecode system_(M-1_Q1_M23L)rOnc _Assembly.Entry_ID 4371 _Assembly.ID 1 _Assembly.Name 'Recombinant Onconase/P30 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'fully oxidized' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'This is recombinant Met-1, Gln1, and Leu23 Onconase' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4371 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 (M-1,Q1,M23L)rOnc 1 $(M-1_Q1_M23L)rOnc . . . native . . . . . 4371 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 1ONC . . . . . . 4371 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID (M-1,Q1,M23L)rOnc abbreviation 4371 1 'Recombinant Onconase/P30 protein' system 4371 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'anti-tumor agent' 4371 1 'cytotoxic protein' 4371 1 ribonuclease 4371 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_(M-1_Q1_M23L)rOnc _Entity.Sf_category entity _Entity.Sf_framecode (M-1_Q1_M23L)rOnc _Entity.Entry_ID 4371 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Recombinant Onconase/ranpirnase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQDWLTFQKKHITNTRDVDC DNILSTNLFHCKDKNTFIYS RPEPVKAICKGIIASKNVLT TSEFYLSDCNVTSRPCKYKL KKSTNKFCVTCENQAPVHFV GVGSC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'fully oxidized' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11958 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16040 . "onconase C87A/C104A" . . . . . 97.14 104 98.04 99.02 9.51e-67 . . . . 4371 1 2 no PDB 1ONC . "The Refined 1.7 Angstroms X-Ray Crystallographic Structure Of P-30, An Amphibian Ribonuclease With Anti-Tumor Activity" . . . . . 98.10 104 99.03 100.00 3.03e-68 . . . . 4371 1 3 no PDB 1PU3 . "The Solution Nmr Structure And Dynamics Of A Recombinant Onconase With Altered N-Terminal And Met23 Residues" . . . . . 100.00 105 100.00 100.00 1.79e-70 . . . . 4371 1 4 no PDB 1YV4 . "X-Ray Structure Of M23l Onconase At 100k" . . . . . 98.10 104 100.00 100.00 1.77e-68 . . . . 4371 1 5 no PDB 1YV6 . "X-Ray Structure Of M23l Onconase At 298k" . . . . . 98.10 104 100.00 100.00 1.77e-68 . . . . 4371 1 6 no PDB 1YV7 . "X-Ray Structure Of (C87s,Des103-104) Onconase" . . . . . 96.19 102 98.02 99.01 7.92e-66 . . . . 4371 1 7 no PDB 2GMK . "Crystal Structure Of Onconase Double Mutant With Spontaneously-Assembled (Amp) 4 Stack" . . . . . 98.10 104 97.09 98.06 1.00e-66 . . . . 4371 1 8 no PDB 2I5S . "Crystal Structure Of Onconase With Bound Nucleic Acid" . . . . . 98.10 104 99.03 100.00 3.03e-68 . . . . 4371 1 9 no PDB 2KB6 . "Solution Structure Of Onconase C87aC104A" . . . . . 97.14 104 98.04 99.02 9.51e-67 . . . . 4371 1 10 no PDB 3FD7 . "Crystal Structure Of Onconase C87aC104A-Onc" . . . . . 97.14 104 98.04 99.02 9.51e-67 . . . . 4371 1 11 no PDB 3HG6 . "Crystal Structure Of The Recombinant Onconase From Rana Pipiens" . . . . . 98.10 104 99.03 100.00 3.03e-68 . . . . 4371 1 12 no PDB 3PHN . "Crystal Structure Of Wild-Type Onconase With Resolution 1.46 A" . . . . . 98.10 104 99.03 100.00 3.03e-68 . . . . 4371 1 13 no PDB 3SNF . "Onconase, Atomic Resolution Crystal Structure" . . . . . 98.10 104 99.03 100.00 3.03e-68 . . . . 4371 1 14 no PDB 3U00 . "Crystal Structure Of Wild-Type Onconase At 1.65 A Resolution" . . . . . 98.10 104 99.03 100.00 3.03e-68 . . . . 4371 1 15 no PDB 3U01 . "Crystal Structure Of Onconase Double Mutant C30a/c75a At 1.12 A Resolution" . . . . . 98.10 104 97.09 98.06 1.08e-66 . . . . 4371 1 16 no GB AAL54383 . "onconase precursor [Rana pipiens]" . . . . . 99.05 127 99.04 100.00 3.17e-69 . . . . 4371 1 17 no SP P22069 . "RecName: Full=Protein P-30; AltName: Full=Onconase" . . . . . 99.05 104 99.04 100.00 3.57e-69 . . . . 4371 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID (M-1,Q1,M23L)rOnc abbreviation 4371 1 'Recombinant Onconase/ranpirnase' common 4371 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 . MET . 4371 1 2 . GLN . 4371 1 3 . ASP . 4371 1 4 . TRP . 4371 1 5 . LEU . 4371 1 6 . THR . 4371 1 7 . PHE . 4371 1 8 . GLN . 4371 1 9 . LYS . 4371 1 10 . LYS . 4371 1 11 . HIS . 4371 1 12 . ILE . 4371 1 13 . THR . 4371 1 14 . ASN . 4371 1 15 . THR . 4371 1 16 . ARG . 4371 1 17 . ASP . 4371 1 18 . VAL . 4371 1 19 . ASP . 4371 1 20 . CYS . 4371 1 21 . ASP . 4371 1 22 . ASN . 4371 1 23 . ILE . 4371 1 24 . LEU . 4371 1 25 . SER . 4371 1 26 . THR . 4371 1 27 . ASN . 4371 1 28 . LEU . 4371 1 29 . PHE . 4371 1 30 . HIS . 4371 1 31 . CYS . 4371 1 32 . LYS . 4371 1 33 . ASP . 4371 1 34 . LYS . 4371 1 35 . ASN . 4371 1 36 . THR . 4371 1 37 . PHE . 4371 1 38 . ILE . 4371 1 39 . TYR . 4371 1 40 . SER . 4371 1 41 . ARG . 4371 1 42 . PRO . 4371 1 43 . GLU . 4371 1 44 . PRO . 4371 1 45 . VAL . 4371 1 46 . LYS . 4371 1 47 . ALA . 4371 1 48 . ILE . 4371 1 49 . CYS . 4371 1 50 . LYS . 4371 1 51 . GLY . 4371 1 52 . ILE . 4371 1 53 . ILE . 4371 1 54 . ALA . 4371 1 55 . SER . 4371 1 56 . LYS . 4371 1 57 . ASN . 4371 1 58 . VAL . 4371 1 59 . LEU . 4371 1 60 . THR . 4371 1 61 . THR . 4371 1 62 . SER . 4371 1 63 . GLU . 4371 1 64 . PHE . 4371 1 65 . TYR . 4371 1 66 . LEU . 4371 1 67 . SER . 4371 1 68 . ASP . 4371 1 69 . CYS . 4371 1 70 . ASN . 4371 1 71 . VAL . 4371 1 72 . THR . 4371 1 73 . SER . 4371 1 74 . ARG . 4371 1 75 . PRO . 4371 1 76 . CYS . 4371 1 77 . LYS . 4371 1 78 . TYR . 4371 1 79 . LYS . 4371 1 80 . LEU . 4371 1 81 . LYS . 4371 1 82 . LYS . 4371 1 83 . SER . 4371 1 84 . THR . 4371 1 85 . ASN . 4371 1 86 . LYS . 4371 1 87 . PHE . 4371 1 88 . CYS . 4371 1 89 . VAL . 4371 1 90 . THR . 4371 1 91 . CYS . 4371 1 92 . GLU . 4371 1 93 . ASN . 4371 1 94 . GLN . 4371 1 95 . ALA . 4371 1 96 . PRO . 4371 1 97 . VAL . 4371 1 98 . HIS . 4371 1 99 . PHE . 4371 1 100 . VAL . 4371 1 101 . GLY . 4371 1 102 . VAL . 4371 1 103 . GLY . 4371 1 104 . SER . 4371 1 105 . CYS . 4371 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4371 1 . GLN 2 2 4371 1 . ASP 3 3 4371 1 . TRP 4 4 4371 1 . LEU 5 5 4371 1 . THR 6 6 4371 1 . PHE 7 7 4371 1 . GLN 8 8 4371 1 . LYS 9 9 4371 1 . LYS 10 10 4371 1 . HIS 11 11 4371 1 . ILE 12 12 4371 1 . THR 13 13 4371 1 . ASN 14 14 4371 1 . THR 15 15 4371 1 . ARG 16 16 4371 1 . ASP 17 17 4371 1 . VAL 18 18 4371 1 . ASP 19 19 4371 1 . CYS 20 20 4371 1 . ASP 21 21 4371 1 . ASN 22 22 4371 1 . ILE 23 23 4371 1 . LEU 24 24 4371 1 . SER 25 25 4371 1 . THR 26 26 4371 1 . ASN 27 27 4371 1 . LEU 28 28 4371 1 . PHE 29 29 4371 1 . HIS 30 30 4371 1 . CYS 31 31 4371 1 . LYS 32 32 4371 1 . ASP 33 33 4371 1 . LYS 34 34 4371 1 . ASN 35 35 4371 1 . THR 36 36 4371 1 . PHE 37 37 4371 1 . ILE 38 38 4371 1 . TYR 39 39 4371 1 . SER 40 40 4371 1 . ARG 41 41 4371 1 . PRO 42 42 4371 1 . GLU 43 43 4371 1 . PRO 44 44 4371 1 . VAL 45 45 4371 1 . LYS 46 46 4371 1 . ALA 47 47 4371 1 . ILE 48 48 4371 1 . CYS 49 49 4371 1 . LYS 50 50 4371 1 . GLY 51 51 4371 1 . ILE 52 52 4371 1 . ILE 53 53 4371 1 . ALA 54 54 4371 1 . SER 55 55 4371 1 . LYS 56 56 4371 1 . ASN 57 57 4371 1 . VAL 58 58 4371 1 . LEU 59 59 4371 1 . THR 60 60 4371 1 . THR 61 61 4371 1 . SER 62 62 4371 1 . GLU 63 63 4371 1 . PHE 64 64 4371 1 . TYR 65 65 4371 1 . LEU 66 66 4371 1 . SER 67 67 4371 1 . ASP 68 68 4371 1 . CYS 69 69 4371 1 . ASN 70 70 4371 1 . VAL 71 71 4371 1 . THR 72 72 4371 1 . SER 73 73 4371 1 . ARG 74 74 4371 1 . PRO 75 75 4371 1 . CYS 76 76 4371 1 . LYS 77 77 4371 1 . TYR 78 78 4371 1 . LYS 79 79 4371 1 . LEU 80 80 4371 1 . LYS 81 81 4371 1 . LYS 82 82 4371 1 . SER 83 83 4371 1 . THR 84 84 4371 1 . ASN 85 85 4371 1 . LYS 86 86 4371 1 . PHE 87 87 4371 1 . CYS 88 88 4371 1 . VAL 89 89 4371 1 . THR 90 90 4371 1 . CYS 91 91 4371 1 . GLU 92 92 4371 1 . ASN 93 93 4371 1 . GLN 94 94 4371 1 . ALA 95 95 4371 1 . PRO 96 96 4371 1 . VAL 97 97 4371 1 . HIS 98 98 4371 1 . PHE 99 99 4371 1 . VAL 100 100 4371 1 . GLY 101 101 4371 1 . VAL 102 102 4371 1 . GLY 103 103 4371 1 . SER 104 104 4371 1 . CYS 105 105 4371 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 4371 _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 $(M-1_Q1_M23L)rOnc . 8404 organism . 'Rana pipiens' 'northern leopard frog' . . Eukaryota Metazoa Rana pipiens . . . . . . . . . . . . . . . . . . . . . 4371 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 4371 _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 $(M-1_Q1_M23L)rOnc . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-11d . . . . . . 4371 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4371 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Recombinant Onconase/ranpirnase' '[U-15N; U-13C]' . . 1 $(M-1_Q1_M23L)rOnc . . 1.5 . . mM . . . . 4371 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_set_1 _Sample_condition_list.Entry_ID 4371 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 4.1 0.1 n/a 4371 1 temperature 310 0.5 K 4371 1 stop_ save_ save_sample_conditions_set_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_set_2 _Sample_condition_list.Entry_ID 4371 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.0 0.1 n/a 4371 2 temperature 310 0.5 K 4371 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4371 _Software.ID 1 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4371 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 4371 _Software.ID 2 _Software.Name AURELIA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4371 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 4371 _Software.ID 3 _Software.Name Sparky _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4371 3 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 4371 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4371 _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 DRX . 600 . . . 4371 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 4371 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 2 '2D 13C CT-HSQC' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 3 '3D CBCANH' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 5 '3D HBHA(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 6 '3D HNCO' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 7 '3D HN(CA)CO' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 8 '3D 15N-res. [1H,1H]-TOCSY (mixing time: 60.4 ms)' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 9 '3D HCCH-COSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 10 '3D HCCH-TOCSY (mixing time: 24.8 ms)' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 11 '3D 15N-res. NOESY-HSQC (mixing time 100 ms)' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 12 '3D 13C-res. NOESY-HSQC (mixing time 100 ms)' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 13 '2D 13C-filtered NOESY (mixing time 100 ms)' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 14 '2D 13C-filtered TOCSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4371 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_set_1 _Chem_shift_reference.Entry_ID 4371 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 indirect cylindrical parallel 1 $entry_citation . . 1 $entry_citation 4371 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 4371 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 indirect cylindrical parallel 1 $entry_citation . . 1 $entry_citation 4371 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 4371 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_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 $sample_1 . 4371 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 1 1 MET HA H 1 4.13 . . . . . . . . . . . 4371 1 2 . 1 1 1 1 MET HB2 H 1 2.14 . . . . . . . . . . . 4371 1 3 . 1 1 1 1 MET HG2 H 1 2.596 . . . . . . . . . . . 4371 1 4 . 1 1 1 1 MET HG3 H 1 2.542 . . . . . . . . . . . 4371 1 5 . 1 1 1 1 MET C C 13 172.278 . . . . . . . . . . . 4371 1 6 . 1 1 1 1 MET CA C 13 55.188 . . . . . . . . . . . 4371 1 7 . 1 1 1 1 MET CB C 13 32.687 . . . . . . . . . . . 4371 1 8 . 1 1 1 1 MET CG C 13 31.127 . . . . . . . . . . . 4371 1 9 . 1 1 2 2 GLN H H 1 8.83 . . . . . . . . . . . 4371 1 10 . 1 1 2 2 GLN HA H 1 4.646 . . . . . . . . . . . 4371 1 11 . 1 1 2 2 GLN HB2 H 1 2.17 . . . . . . . . . . . 4371 1 12 . 1 1 2 2 GLN HB3 H 1 2.053 . . . . . . . . . . . 4371 1 13 . 1 1 2 2 GLN HG2 H 1 2.427 . . . . . . . . . . . 4371 1 14 . 1 1 2 2 GLN HE21 H 1 7.515 . . . . . . . . . . . 4371 1 15 . 1 1 2 2 GLN HE22 H 1 6.83 . . . . . . . . . . . 4371 1 16 . 1 1 2 2 GLN C C 13 173.831 . . . . . . . . . . . 4371 1 17 . 1 1 2 2 GLN CA C 13 55.5 . . . . . . . . . . . 4371 1 18 . 1 1 2 2 GLN CB C 13 27.999 . . . . . . . . . . . 4371 1 19 . 1 1 2 2 GLN CG C 13 33.937 . . . . . . . . . . . 4371 1 20 . 1 1 2 2 GLN NE2 N 15 111.551 . . . . . . . . . . . 4371 1 21 . 1 1 2 2 GLN N N 15 123.4 . . . . . . . . . . . 4371 1 22 . 1 1 3 3 ASP H H 1 7.921 . . . . . . . . . . . 4371 1 23 . 1 1 3 3 ASP HA H 1 4.798 . . . . . . . . . . . 4371 1 24 . 1 1 3 3 ASP HB2 H 1 3.14 . . . . . . . . . . . 4371 1 25 . 1 1 3 3 ASP HB3 H 1 2.86 . . . . . . . . . . . 4371 1 26 . 1 1 3 3 ASP C C 13 175.853 . . . . . . . . . . . 4371 1 27 . 1 1 3 3 ASP CA C 13 52.8 . . . . . . . . . . . 4371 1 28 . 1 1 3 3 ASP CB C 13 42.5 . . . . . . . . . . . 4371 1 29 . 1 1 3 3 ASP N N 15 121.122 . . . . . . . . . . . 4371 1 30 . 1 1 4 4 TRP H H 1 8.92 . . . . . . . . . . . 4371 1 31 . 1 1 4 4 TRP HA H 1 5.466 . . . . . . . . . . . 4371 1 32 . 1 1 4 4 TRP HB2 H 1 3.339 . . . . . . . . . . . 4371 1 33 . 1 1 4 4 TRP HB3 H 1 3.175 . . . . . . . . . . . 4371 1 34 . 1 1 4 4 TRP HD1 H 1 7.25 . . . . . . . . . . . 4371 1 35 . 1 1 4 4 TRP HE1 H 1 10.256 . . . . . . . . . . . 4371 1 36 . 1 1 4 4 TRP HZ2 H 1 7.33 . . . . . . . . . . . 4371 1 37 . 1 1 4 4 TRP HH2 H 1 7.16 . . . . . . . . . . . 4371 1 38 . 1 1 4 4 TRP HZ3 H 1 6.81 . . . . . . . . . . . 4371 1 39 . 1 1 4 4 TRP HE3 H 1 8.2 . . . . . . . . . . . 4371 1 40 . 1 1 4 4 TRP C C 13 178.051 . . . . . . . . . . . 4371 1 41 . 1 1 4 4 TRP CA C 13 58.001 . . . . . . . . . . . 4371 1 42 . 1 1 4 4 TRP CB C 13 31.124 . . . . . . . . . . . 4371 1 43 . 1 1 4 4 TRP CD1 C 13 128.424 . . . . . . . . . . . 4371 1 44 . 1 1 4 4 TRP CE3 C 13 125.442 . . . . . . . . . . . 4371 1 45 . 1 1 4 4 TRP CH2 C 13 124.492 . . . . . . . . . . . 4371 1 46 . 1 1 4 4 TRP CZ2 C 13 116.804 . . . . . . . . . . . 4371 1 47 . 1 1 4 4 TRP CZ3 C 13 121.533 . . . . . . . . . . . 4371 1 48 . 1 1 4 4 TRP N N 15 123.17 . . . . . . . . . . . 4371 1 49 . 1 1 4 4 TRP NE1 N 15 129.6 . . . . . . . . . . . 4371 1 50 . 1 1 5 5 LEU H H 1 8.062 . . . . . . . . . . . 4371 1 51 . 1 1 5 5 LEU HA H 1 3.707 . . . . . . . . . . . 4371 1 52 . 1 1 5 5 LEU HB2 H 1 1.72 . . . . . . . . . . . 4371 1 53 . 1 1 5 5 LEU HB3 H 1 1.568 . . . . . . . . . . . 4371 1 54 . 1 1 5 5 LEU HG H 1 1.571 . . . . . . . . . . . 4371 1 55 . 1 1 5 5 LEU HD11 H 1 0.86 . . . . . . . . . . . 4371 1 56 . 1 1 5 5 LEU HD12 H 1 0.86 . . . . . . . . . . . 4371 1 57 . 1 1 5 5 LEU HD13 H 1 0.86 . . . . . . . . . . . 4371 1 58 . 1 1 5 5 LEU HD21 H 1 0.809 . . . . . . . . . . . 4371 1 59 . 1 1 5 5 LEU HD22 H 1 0.809 . . . . . . . . . . . 4371 1 60 . 1 1 5 5 LEU HD23 H 1 0.809 . . . . . . . . . . . 4371 1 61 . 1 1 5 5 LEU C C 13 179.809 . . . . . . . . . . . 4371 1 62 . 1 1 5 5 LEU CA C 13 58.47 . . . . . . . . . . . 4371 1 63 . 1 1 5 5 LEU CB C 13 40.812 . . . . . . . . . . . 4371 1 64 . 1 1 5 5 LEU CG C 13 27.377 . . . . . . . . . . . 4371 1 65 . 1 1 5 5 LEU CD1 C 13 24.096 . . . . . . . . . . . 4371 1 66 . 1 1 5 5 LEU CD2 C 13 23.939 . . . . . . . . . . . 4371 1 67 . 1 1 5 5 LEU N N 15 120.575 . . . . . . . . . . . 4371 1 68 . 1 1 6 6 THR H H 1 8.579 . . . . . . . . . . . 4371 1 69 . 1 1 6 6 THR HA H 1 3.686 . . . . . . . . . . . 4371 1 70 . 1 1 6 6 THR HB H 1 4.309 . . . . . . . . . . . 4371 1 71 . 1 1 6 6 THR HG21 H 1 1.252 . . . . . . . . . . . 4371 1 72 . 1 1 6 6 THR HG22 H 1 1.252 . . . . . . . . . . . 4371 1 73 . 1 1 6 6 THR HG23 H 1 1.252 . . . . . . . . . . . 4371 1 74 . 1 1 6 6 THR C C 13 175.765 . . . . . . . . . . . 4371 1 75 . 1 1 6 6 THR CA C 13 67.063 . . . . . . . . . . . 4371 1 76 . 1 1 6 6 THR CB C 13 68.001 . . . . . . . . . . . 4371 1 77 . 1 1 6 6 THR CG2 C 13 21.749 . . . . . . . . . . . 4371 1 78 . 1 1 6 6 THR N N 15 116.2 . . . . . . . . . . . 4371 1 79 . 1 1 7 7 PHE H H 1 8.469 . . . . . . . . . . . 4371 1 80 . 1 1 7 7 PHE HA H 1 4.064 . . . . . . . . . . . 4371 1 81 . 1 1 7 7 PHE HB2 H 1 3.666 . . . . . . . . . . . 4371 1 82 . 1 1 7 7 PHE HB3 H 1 3.14 . . . . . . . . . . . 4371 1 83 . 1 1 7 7 PHE HD1 H 1 7.06 . . . . . . . . . . . 4371 1 84 . 1 1 7 7 PHE HE1 H 1 6.967 . . . . . . . . . . . 4371 1 85 . 1 1 7 7 PHE HZ H 1 6.853 . . . . . . . . . . . 4371 1 86 . 1 1 7 7 PHE C C 13 177.963 . . . . . . . . . . . 4371 1 87 . 1 1 7 7 PHE CA C 13 62.063 . . . . . . . . . . . 4371 1 88 . 1 1 7 7 PHE CB C 13 39.562 . . . . . . . . . . . 4371 1 89 . 1 1 7 7 PHE CD1 C 13 132.429 . . . . . . . . . . . 4371 1 90 . 1 1 7 7 PHE CE1 C 13 129.888 . . . . . . . . . . . 4371 1 91 . 1 1 7 7 PHE CZ C 13 128.382 . . . . . . . . . . . 4371 1 92 . 1 1 7 7 PHE N N 15 123.31 . . . . . . . . . . . 4371 1 93 . 1 1 8 8 GLN H H 1 8.268 . . . . . . . . . . . 4371 1 94 . 1 1 8 8 GLN HA H 1 3.514 . . . . . . . . . . . 4371 1 95 . 1 1 8 8 GLN HB2 H 1 1.761 . . . . . . . . . . . 4371 1 96 . 1 1 8 8 GLN HB3 H 1 1.632 . . . . . . . . . . . 4371 1 97 . 1 1 8 8 GLN HG2 H 1 1.235 . . . . . . . . . . . 4371 1 98 . 1 1 8 8 GLN HE21 H 1 6.55 . . . . . . . . . . . 4371 1 99 . 1 1 8 8 GLN HE22 H 1 4.671 . . . . . . . . . . . 4371 1 100 . 1 1 8 8 GLN C C 13 178.344 . . . . . . . . . . . 4371 1 101 . 1 1 8 8 GLN CA C 13 59.563 . . . . . . . . . . . 4371 1 102 . 1 1 8 8 GLN CB C 13 30.187 . . . . . . . . . . . 4371 1 103 . 1 1 8 8 GLN CG C 13 34.562 . . . . . . . . . . . 4371 1 104 . 1 1 8 8 GLN NE2 N 15 107.449 . . . . . . . . . . . 4371 1 105 . 1 1 8 8 GLN N N 15 117.294 . . . . . . . . . . . 4371 1 106 . 1 1 9 9 LYS H H 1 7.506 . . . . . . . . . . . 4371 1 107 . 1 1 9 9 LYS HA H 1 3.929 . . . . . . . . . . . 4371 1 108 . 1 1 9 9 LYS HB2 H 1 1.76 . . . . . . . . . . . 4371 1 109 . 1 1 9 9 LYS HB3 H 1 1.691 . . . . . . . . . . . 4371 1 110 . 1 1 9 9 LYS HG2 H 1 1.538 . . . . . . . . . . . 4371 1 111 . 1 1 9 9 LYS HG3 H 1 1.398 . . . . . . . . . . . 4371 1 112 . 1 1 9 9 LYS HD2 H 1 1.538 . . . . . . . . . . . 4371 1 113 . 1 1 9 9 LYS HE2 H 1 2.824 . . . . . . . . . . . 4371 1 114 . 1 1 9 9 LYS C C 13 178.783 . . . . . . . . . . . 4371 1 115 . 1 1 9 9 LYS CA C 13 58.938 . . . . . . . . . . . 4371 1 116 . 1 1 9 9 LYS CB C 13 32.687 . . . . . . . . . . . 4371 1 117 . 1 1 9 9 LYS CG C 13 25.163 . . . . . . . . . . . 4371 1 118 . 1 1 9 9 LYS CD C 13 29.304 . . . . . . . . . . . 4371 1 119 . 1 1 9 9 LYS CE C 13 42.065 . . . . . . . . . . . 4371 1 120 . 1 1 9 9 LYS N N 15 117.567 . . . . . . . . . . . 4371 1 121 . 1 1 10 10 LYS H H 1 7.946 . . . . . . . . . . . 4371 1 122 . 1 1 10 10 LYS HA H 1 4.087 . . . . . . . . . . . 4371 1 123 . 1 1 10 10 LYS HB2 H 1 1.287 . . . . . . . . . . . 4371 1 124 . 1 1 10 10 LYS HB3 H 1 0.96 . . . . . . . . . . . 4371 1 125 . 1 1 10 10 LYS HG2 H 1 1.361 . . . . . . . . . . . 4371 1 126 . 1 1 10 10 LYS HG3 H 1 0.358 . . . . . . . . . . . 4371 1 127 . 1 1 10 10 LYS HD2 H 1 1.44 . . . . . . . . . . . 4371 1 128 . 1 1 10 10 LYS HE2 H 1 2.616 . . . . . . . . . . . 4371 1 129 . 1 1 10 10 LYS HE3 H 1 2.427 . . . . . . . . . . . 4371 1 130 . 1 1 10 10 LYS C C 13 176.498 . . . . . . . . . . . 4371 1 131 . 1 1 10 10 LYS CA C 13 57.375 . . . . . . . . . . . 4371 1 132 . 1 1 10 10 LYS CB C 13 34.562 . . . . . . . . . . . 4371 1 133 . 1 1 10 10 LYS CG C 13 26.437 . . . . . . . . . . . 4371 1 134 . 1 1 10 10 LYS CD C 13 29.562 . . . . . . . . . . . 4371 1 135 . 1 1 10 10 LYS CE C 13 41.75 . . . . . . . . . . . 4371 1 136 . 1 1 10 10 LYS N N 15 113.739 . . . . . . . . . . . 4371 1 137 . 1 1 11 11 HIS H H 1 7.76 . . . . . . . . . . . 4371 1 138 . 1 1 11 11 HIS HA H 1 4.519 . . . . . . . . . . . 4371 1 139 . 1 1 11 11 HIS HB2 H 1 2.579 . . . . . . . . . . . 4371 1 140 . 1 1 11 11 HIS HB3 H 1 1.765 . . . . . . . . . . . 4371 1 141 . 1 1 11 11 HIS HD2 H 1 6.423 . . . . . . . . . . . 4371 1 142 . 1 1 11 11 HIS HE1 H 1 8.266 . . . . . . . . . . . 4371 1 143 . 1 1 11 11 HIS HE2 H 1 7.962 . . . . . . . . . . . 4371 1 144 . 1 1 11 11 HIS C C 13 173.743 . . . . . . . . . . . 4371 1 145 . 1 1 11 11 HIS CA C 13 55.5 . . . . . . . . . . . 4371 1 146 . 1 1 11 11 HIS CB C 13 30.187 . . . . . . . . . . . 4371 1 147 . 1 1 11 11 HIS CD2 C 13 122.767 . . . . . . . . . . . 4371 1 148 . 1 1 11 11 HIS CE1 C 13 136.683 . . . . . . . . . . . 4371 1 149 . 1 1 11 11 HIS N N 15 107.449 . . . . . . . . . . . 4371 1 150 . 1 1 12 12 ILE H H 1 8.268 . . . . . . . . . . . 4371 1 151 . 1 1 12 12 ILE HA H 1 5.081 . . . . . . . . . . . 4371 1 152 . 1 1 12 12 ILE HB H 1 2.181 . . . . . . . . . . . 4371 1 153 . 1 1 12 12 ILE HG12 H 1 1.613 . . . . . . . . . . . 4371 1 154 . 1 1 12 12 ILE HG13 H 1 1.281 . . . . . . . . . . . 4371 1 155 . 1 1 12 12 ILE HG21 H 1 1.024 . . . . . . . . . . . 4371 1 156 . 1 1 12 12 ILE HG22 H 1 1.024 . . . . . . . . . . . 4371 1 157 . 1 1 12 12 ILE HG23 H 1 1.024 . . . . . . . . . . . 4371 1 158 . 1 1 12 12 ILE HD11 H 1 1.071 . . . . . . . . . . . 4371 1 159 . 1 1 12 12 ILE HD12 H 1 1.071 . . . . . . . . . . . 4371 1 160 . 1 1 12 12 ILE HD13 H 1 1.071 . . . . . . . . . . . 4371 1 161 . 1 1 12 12 ILE C C 13 174.945 . . . . . . . . . . . 4371 1 162 . 1 1 12 12 ILE CA C 13 60.813 . . . . . . . . . . . 4371 1 163 . 1 1 12 12 ILE CB C 13 37.687 . . . . . . . . . . . 4371 1 164 . 1 1 12 12 ILE CG1 C 13 28.21 . . . . . . . . . . . 4371 1 165 . 1 1 12 12 ILE CG2 C 13 17.686 . . . . . . . . . . . 4371 1 166 . 1 1 12 12 ILE CD1 C 13 12.999 . . . . . . . . . . . 4371 1 167 . 1 1 12 12 ILE N N 15 121.943 . . . . . . . . . . . 4371 1 168 . 1 1 13 13 THR H H 1 8.581 . . . . . . . . . . . 4371 1 169 . 1 1 13 13 THR HA H 1 5.022 . . . . . . . . . . . 4371 1 170 . 1 1 13 13 THR HB H 1 3.678 . . . . . . . . . . . 4371 1 171 . 1 1 13 13 THR HG21 H 1 1.048 . . . . . . . . . . . 4371 1 172 . 1 1 13 13 THR HG22 H 1 1.048 . . . . . . . . . . . 4371 1 173 . 1 1 13 13 THR HG23 H 1 1.048 . . . . . . . . . . . 4371 1 174 . 1 1 13 13 THR C C 13 171.311 . . . . . . . . . . . 4371 1 175 . 1 1 13 13 THR CA C 13 58.001 . . . . . . . . . . . 4371 1 176 . 1 1 13 13 THR CB C 13 70.814 . . . . . . . . . . . 4371 1 177 . 1 1 13 13 THR CG2 C 13 19.874 . . . . . . . . . . . 4371 1 178 . 1 1 13 13 THR N N 15 120.302 . . . . . . . . . . . 4371 1 179 . 1 1 14 14 ASN H H 1 8.249 . . . . . . . . . . . 4371 1 180 . 1 1 14 14 ASN HA H 1 4.905 . . . . . . . . . . . 4371 1 181 . 1 1 14 14 ASN HB2 H 1 3.011 . . . . . . . . . . . 4371 1 182 . 1 1 14 14 ASN HB3 H 1 2.801 . . . . . . . . . . . 4371 1 183 . 1 1 14 14 ASN HD21 H 1 7.49 . . . . . . . . . . . 4371 1 184 . 1 1 14 14 ASN HD22 H 1 6.753 . . . . . . . . . . . 4371 1 185 . 1 1 14 14 ASN C C 13 174.798 . . . . . . . . . . . 4371 1 186 . 1 1 14 14 ASN CA C 13 52.688 . . . . . . . . . . . 4371 1 187 . 1 1 14 14 ASN CB C 13 38.312 . . . . . . . . . . . 4371 1 188 . 1 1 14 14 ASN ND2 N 15 111.278 . . . . . . . . . . . 4371 1 189 . 1 1 14 14 ASN N N 15 122.763 . . . . . . . . . . . 4371 1 190 . 1 1 15 15 THR H H 1 7.911 . . . . . . . . . . . 4371 1 191 . 1 1 15 15 THR HA H 1 4.438 . . . . . . . . . . . 4371 1 192 . 1 1 15 15 THR HB H 1 3.912 . . . . . . . . . . . 4371 1 193 . 1 1 15 15 THR HG21 H 1 0.79 . . . . . . . . . . . 4371 1 194 . 1 1 15 15 THR HG22 H 1 0.79 . . . . . . . . . . . 4371 1 195 . 1 1 15 15 THR HG23 H 1 0.79 . . . . . . . . . . . 4371 1 196 . 1 1 15 15 THR C C 13 172.63 . . . . . . . . . . . 4371 1 197 . 1 1 15 15 THR CA C 13 58.938 . . . . . . . . . . . 4371 1 198 . 1 1 15 15 THR CB C 13 69.564 . . . . . . . . . . . 4371 1 199 . 1 1 15 15 THR CG2 C 13 18.936 . . . . . . . . . . . 4371 1 200 . 1 1 15 15 THR N N 15 113.465 . . . . . . . . . . . 4371 1 201 . 1 1 16 16 ARG H H 1 8.444 . . . . . . . . . . . 4371 1 202 . 1 1 16 16 ARG HA H 1 3.526 . . . . . . . . . . . 4371 1 203 . 1 1 16 16 ARG HB2 H 1 1.34 . . . . . . . . . . . 4371 1 204 . 1 1 16 16 ARG HB3 H 1 0.919 . . . . . . . . . . . 4371 1 205 . 1 1 16 16 ARG HG2 H 1 0.989 . . . . . . . . . . . 4371 1 206 . 1 1 16 16 ARG HD2 H 1 2.708 . . . . . . . . . . . 4371 1 207 . 1 1 16 16 ARG HE H 1 7.022 . . . . . . . . . . . 4371 1 208 . 1 1 16 16 ARG HH11 H 1 6.83 . . . . . . . . . . . 4371 1 209 . 1 1 16 16 ARG C C 13 178.49 . . . . . . . . . . . 4371 1 210 . 1 1 16 16 ARG CA C 13 57.688 . . . . . . . . . . . 4371 1 211 . 1 1 16 16 ARG CB C 13 28.937 . . . . . . . . . . . 4371 1 212 . 1 1 16 16 ARG CG C 13 26.124 . . . . . . . . . . . 4371 1 213 . 1 1 16 16 ARG CD C 13 43 . . . . . . . . . . . 4371 1 214 . 1 1 16 16 ARG N N 15 125.224 . . . . . . . . . . . 4371 1 215 . 1 1 16 16 ARG NE N 15 83.291 . . . . . . . . . . . 4371 1 216 . 1 1 16 16 ARG NH1 N 15 73.06 . . . . . . . . . . . 4371 1 217 . 1 1 17 17 ASP H H 1 7.869 . . . . . . . . . . . 4371 1 218 . 1 1 17 17 ASP HA H 1 4.566 . . . . . . . . . . . 4371 1 219 . 1 1 17 17 ASP HB2 H 1 2.404 . . . . . . . . . . . 4371 1 220 . 1 1 17 17 ASP HB3 H 1 2.217 . . . . . . . . . . . 4371 1 221 . 1 1 17 17 ASP C C 13 174.036 . . . . . . . . . . . 4371 1 222 . 1 1 17 17 ASP CA C 13 53 . . . . . . . . . . . 4371 1 223 . 1 1 17 17 ASP CB C 13 38.625 . . . . . . . . . . . 4371 1 224 . 1 1 17 17 ASP N N 15 121.943 . . . . . . . . . . . 4371 1 225 . 1 1 18 18 VAL H H 1 6.513 . . . . . . . . . . . 4371 1 226 . 1 1 18 18 VAL HA H 1 3.128 . . . . . . . . . . . 4371 1 227 . 1 1 18 18 VAL HB H 1 1.281 . . . . . . . . . . . 4371 1 228 . 1 1 18 18 VAL HG11 H 1 0.37 . . . . . . . . . . . 4371 1 229 . 1 1 18 18 VAL HG12 H 1 0.37 . . . . . . . . . . . 4371 1 230 . 1 1 18 18 VAL HG13 H 1 0.37 . . . . . . . . . . . 4371 1 231 . 1 1 18 18 VAL HG21 H 1 -0.063 . . . . . . . . . . . 4371 1 232 . 1 1 18 18 VAL HG22 H 1 -0.063 . . . . . . . . . . . 4371 1 233 . 1 1 18 18 VAL HG23 H 1 -0.063 . . . . . . . . . . . 4371 1 234 . 1 1 18 18 VAL C C 13 175.326 . . . . . . . . . . . 4371 1 235 . 1 1 18 18 VAL CA C 13 62.376 . . . . . . . . . . . 4371 1 236 . 1 1 18 18 VAL CB C 13 32.374 . . . . . . . . . . . 4371 1 237 . 1 1 18 18 VAL CG1 C 13 21.124 . . . . . . . . . . . 4371 1 238 . 1 1 18 18 VAL CG2 C 13 20.186 . . . . . . . . . . . 4371 1 239 . 1 1 18 18 VAL N N 15 120.575 . . . . . . . . . . . 4371 1 240 . 1 1 19 19 ASP H H 1 8.488 . . . . . . . . . . . 4371 1 241 . 1 1 19 19 ASP HA H 1 4.601 . . . . . . . . . . . 4371 1 242 . 1 1 19 19 ASP HB2 H 1 2.86 . . . . . . . . . . . 4371 1 243 . 1 1 19 19 ASP HB3 H 1 2.439 . . . . . . . . . . . 4371 1 244 . 1 1 19 19 ASP C C 13 175.765 . . . . . . . . . . . 4371 1 245 . 1 1 19 19 ASP CA C 13 51.125 . . . . . . . . . . . 4371 1 246 . 1 1 19 19 ASP CB C 13 37.687 . . . . . . . . . . . 4371 1 247 . 1 1 19 19 ASP N N 15 126.318 . . . . . . . . . . . 4371 1 248 . 1 1 20 20 CYS H H 1 7.819 . . . . . . . . . . . 4371 1 249 . 1 1 20 20 CYS HA H 1 3.538 . . . . . . . . . . . 4371 1 250 . 1 1 20 20 CYS HB2 H 1 2.953 . . . . . . . . . . . 4371 1 251 . 1 1 20 20 CYS HB3 H 1 2.298 . . . . . . . . . . . 4371 1 252 . 1 1 20 20 CYS C C 13 174.945 . . . . . . . . . . . 4371 1 253 . 1 1 20 20 CYS CA C 13 58.001 . . . . . . . . . . . 4371 1 254 . 1 1 20 20 CYS CB C 13 40.5 . . . . . . . . . . . 4371 1 255 . 1 1 20 20 CYS N N 15 120.849 . . . . . . . . . . . 4371 1 256 . 1 1 21 21 ASP H H 1 8.649 . . . . . . . . . . . 4371 1 257 . 1 1 21 21 ASP HA H 1 4.332 . . . . . . . . . . . 4371 1 258 . 1 1 21 21 ASP HB2 H 1 2.813 . . . . . . . . . . . 4371 1 259 . 1 1 21 21 ASP HB3 H 1 2.672 . . . . . . . . . . . 4371 1 260 . 1 1 21 21 ASP C C 13 177.758 . . . . . . . . . . . 4371 1 261 . 1 1 21 21 ASP CA C 13 57.375 . . . . . . . . . . . 4371 1 262 . 1 1 21 21 ASP CB C 13 39.25 . . . . . . . . . . . 4371 1 263 . 1 1 21 21 ASP N N 15 117.567 . . . . . . . . . . . 4371 1 264 . 1 1 22 22 ASN H H 1 7.124 . . . . . . . . . . . 4371 1 265 . 1 1 22 22 ASN HA H 1 4.625 . . . . . . . . . . . 4371 1 266 . 1 1 22 22 ASN HB2 H 1 2.591 . . . . . . . . . . . 4371 1 267 . 1 1 22 22 ASN HB3 H 1 2.556 . . . . . . . . . . . 4371 1 268 . 1 1 22 22 ASN HD21 H 1 8.254 . . . . . . . . . . . 4371 1 269 . 1 1 22 22 ASN HD22 H 1 6.787 . . . . . . . . . . . 4371 1 270 . 1 1 22 22 ASN C C 13 176.41 . . . . . . . . . . . 4371 1 271 . 1 1 22 22 ASN CA C 13 54.25 . . . . . . . . . . . 4371 1 272 . 1 1 22 22 ASN CB C 13 39.25 . . . . . . . . . . . 4371 1 273 . 1 1 22 22 ASN ND2 N 15 115.106 . . . . . . . . . . . 4371 1 274 . 1 1 22 22 ASN N N 15 114.559 . . . . . . . . . . . 4371 1 275 . 1 1 23 23 ILE H H 1 7.721 . . . . . . . . . . . 4371 1 276 . 1 1 23 23 ILE HA H 1 3.958 . . . . . . . . . . . 4371 1 277 . 1 1 23 23 ILE HB H 1 1.363 . . . . . . . . . . . 4371 1 278 . 1 1 23 23 ILE HG12 H 1 1.363 . . . . . . . . . . . 4371 1 279 . 1 1 23 23 ILE HG13 H 1 1.083 . . . . . . . . . . . 4371 1 280 . 1 1 23 23 ILE HG21 H 1 0.662 . . . . . . . . . . . 4371 1 281 . 1 1 23 23 ILE HG22 H 1 0.662 . . . . . . . . . . . 4371 1 282 . 1 1 23 23 ILE HG23 H 1 0.662 . . . . . . . . . . . 4371 1 283 . 1 1 23 23 ILE HD11 H 1 0.592 . . . . . . . . . . . 4371 1 284 . 1 1 23 23 ILE HD12 H 1 0.592 . . . . . . . . . . . 4371 1 285 . 1 1 23 23 ILE HD13 H 1 0.592 . . . . . . . . . . . 4371 1 286 . 1 1 23 23 ILE C C 13 178.138 . . . . . . . . . . . 4371 1 287 . 1 1 23 23 ILE CA C 13 63.313 . . . . . . . . . . . 4371 1 288 . 1 1 23 23 ILE CB C 13 38.625 . . . . . . . . . . . 4371 1 289 . 1 1 23 23 ILE CG1 C 13 28.312 . . . . . . . . . . . 4371 1 290 . 1 1 23 23 ILE CG2 C 13 17.686 . . . . . . . . . . . 4371 1 291 . 1 1 23 23 ILE CD1 C 13 12.686 . . . . . . . . . . . 4371 1 292 . 1 1 23 23 ILE N N 15 118.661 . . . . . . . . . . . 4371 1 293 . 1 1 24 24 LEU H H 1 8.396 . . . . . . . . . . . 4371 1 294 . 1 1 24 24 LEU HA H 1 3.771 . . . . . . . . . . . 4371 1 295 . 1 1 24 24 LEU HB2 H 1 1.445 . . . . . . . . . . . 4371 1 296 . 1 1 24 24 LEU HG H 1 0.603 . . . . . . . . . . . 4371 1 297 . 1 1 24 24 LEU HD11 H 1 0.019 . . . . . . . . . . . 4371 1 298 . 1 1 24 24 LEU HD12 H 1 0.019 . . . . . . . . . . . 4371 1 299 . 1 1 24 24 LEU HD13 H 1 0.019 . . . . . . . . . . . 4371 1 300 . 1 1 24 24 LEU HD21 H 1 -0.051 . . . . . . . . . . . 4371 1 301 . 1 1 24 24 LEU HD22 H 1 -0.051 . . . . . . . . . . . 4371 1 302 . 1 1 24 24 LEU HD23 H 1 -0.051 . . . . . . . . . . . 4371 1 303 . 1 1 24 24 LEU C C 13 176.322 . . . . . . . . . . . 4371 1 304 . 1 1 24 24 LEU CA C 13 56.438 . . . . . . . . . . . 4371 1 305 . 1 1 24 24 LEU CB C 13 38 . . . . . . . . . . . 4371 1 306 . 1 1 24 24 LEU CG C 13 28.624 . . . . . . . . . . . 4371 1 307 . 1 1 24 24 LEU CD1 C 13 24.874 . . . . . . . . . . . 4371 1 308 . 1 1 24 24 LEU CD2 C 13 23.312 . . . . . . . . . . . 4371 1 309 . 1 1 24 24 LEU N N 15 120.849 . . . . . . . . . . . 4371 1 310 . 1 1 25 25 SER H H 1 7.007 . . . . . . . . . . . 4371 1 311 . 1 1 25 25 SER HA H 1 4.718 . . . . . . . . . . . 4371 1 312 . 1 1 25 25 SER HB2 H 1 4.122 . . . . . . . . . . . 4371 1 313 . 1 1 25 25 SER C C 13 175.999 . . . . . . . . . . . 4371 1 314 . 1 1 25 25 SER CA C 13 58.313 . . . . . . . . . . . 4371 1 315 . 1 1 25 25 SER CB C 13 64.251 . . . . . . . . . . . 4371 1 316 . 1 1 25 25 SER N N 15 109.09 . . . . . . . . . . . 4371 1 317 . 1 1 26 26 THR H H 1 7.413 . . . . . . . . . . . 4371 1 318 . 1 1 26 26 THR HA H 1 4.508 . . . . . . . . . . . 4371 1 319 . 1 1 26 26 THR HB H 1 4.613 . . . . . . . . . . . 4371 1 320 . 1 1 26 26 THR HG21 H 1 1.48 . . . . . . . . . . . 4371 1 321 . 1 1 26 26 THR HG22 H 1 1.48 . . . . . . . . . . . 4371 1 322 . 1 1 26 26 THR HG23 H 1 1.48 . . . . . . . . . . . 4371 1 323 . 1 1 26 26 THR C C 13 176.146 . . . . . . . . . . . 4371 1 324 . 1 1 26 26 THR CA C 13 61.751 . . . . . . . . . . . 4371 1 325 . 1 1 26 26 THR CB C 13 72.064 . . . . . . . . . . . 4371 1 326 . 1 1 26 26 THR CG2 C 13 21.436 . . . . . . . . . . . 4371 1 327 . 1 1 26 26 THR N N 15 112.098 . . . . . . . . . . . 4371 1 328 . 1 1 27 27 ASN H H 1 8.987 . . . . . . . . . . . 4371 1 329 . 1 1 27 27 ASN HA H 1 3.982 . . . . . . . . . . . 4371 1 330 . 1 1 27 27 ASN HB2 H 1 2.801 . . . . . . . . . . . 4371 1 331 . 1 1 27 27 ASN HB3 H 1 2.789 . . . . . . . . . . . 4371 1 332 . 1 1 27 27 ASN HD21 H 1 7.54 . . . . . . . . . . . 4371 1 333 . 1 1 27 27 ASN HD22 H 1 6.894 . . . . . . . . . . . 4371 1 334 . 1 1 27 27 ASN C C 13 175.355 . . . . . . . . . . . 4371 1 335 . 1 1 27 27 ASN CA C 13 55.5 . . . . . . . . . . . 4371 1 336 . 1 1 27 27 ASN CB C 13 37.687 . . . . . . . . . . . 4371 1 337 . 1 1 27 27 ASN ND2 N 15 112.098 . . . . . . . . . . . 4371 1 338 . 1 1 27 27 ASN N N 15 119.208 . . . . . . . . . . . 4371 1 339 . 1 1 28 28 LEU H H 1 7.305 . . . . . . . . . . . 4371 1 340 . 1 1 28 28 LEU HA H 1 3.853 . . . . . . . . . . . 4371 1 341 . 1 1 28 28 LEU HB2 H 1 1.235 . . . . . . . . . . . 4371 1 342 . 1 1 28 28 LEU HB3 H 1 0.954 . . . . . . . . . . . 4371 1 343 . 1 1 28 28 LEU HG H 1 0.638 . . . . . . . . . . . 4371 1 344 . 1 1 28 28 LEU HD11 H 1 0.627 . . . . . . . . . . . 4371 1 345 . 1 1 28 28 LEU HD12 H 1 0.627 . . . . . . . . . . . 4371 1 346 . 1 1 28 28 LEU HD13 H 1 0.627 . . . . . . . . . . . 4371 1 347 . 1 1 28 28 LEU HD21 H 1 0.451 . . . . . . . . . . . 4371 1 348 . 1 1 28 28 LEU HD22 H 1 0.451 . . . . . . . . . . . 4371 1 349 . 1 1 28 28 LEU HD23 H 1 0.451 . . . . . . . . . . . 4371 1 350 . 1 1 28 28 LEU C C 13 176.468 . . . . . . . . . . . 4371 1 351 . 1 1 28 28 LEU CA C 13 56.75 . . . . . . . . . . . 4371 1 352 . 1 1 28 28 LEU CB C 13 42.687 . . . . . . . . . . . 4371 1 353 . 1 1 28 28 LEU CG C 13 26.124 . . . . . . . . . . . 4371 1 354 . 1 1 28 28 LEU CD1 C 13 23.624 . . . . . . . . . . . 4371 1 355 . 1 1 28 28 LEU CD2 C 13 25.187 . . . . . . . . . . . 4371 1 356 . 1 1 28 28 LEU N N 15 117.841 . . . . . . . . . . . 4371 1 357 . 1 1 29 29 PHE H H 1 6.948 . . . . . . . . . . . 4371 1 358 . 1 1 29 29 PHE HA H 1 4.519 . . . . . . . . . . . 4371 1 359 . 1 1 29 29 PHE HB2 H 1 2.988 . . . . . . . . . . . 4371 1 360 . 1 1 29 29 PHE HD1 H 1 7.024 . . . . . . . . . . . 4371 1 361 . 1 1 29 29 PHE HE1 H 1 7.287 . . . . . . . . . . . 4371 1 362 . 1 1 29 29 PHE HZ H 1 7.031 . . . . . . . . . . . 4371 1 363 . 1 1 29 29 PHE C C 13 176.41 . . . . . . . . . . . 4371 1 364 . 1 1 29 29 PHE CA C 13 58.313 . . . . . . . . . . . 4371 1 365 . 1 1 29 29 PHE CB C 13 43.625 . . . . . . . . . . . 4371 1 366 . 1 1 29 29 PHE CD1 C 13 131.857 . . . . . . . . . . . 4371 1 367 . 1 1 29 29 PHE CE1 C 13 130.207 . . . . . . . . . . . 4371 1 368 . 1 1 29 29 PHE CZ C 13 131.135 . . . . . . . . . . . 4371 1 369 . 1 1 29 29 PHE N N 15 112.098 . . . . . . . . . . . 4371 1 370 . 1 1 30 30 HIS H H 1 8.977 . . . . . . . . . . . 4371 1 371 . 1 1 30 30 HIS HA H 1 4.309 . . . . . . . . . . . 4371 1 372 . 1 1 30 30 HIS HB2 H 1 3.28 . . . . . . . . . . . 4371 1 373 . 1 1 30 30 HIS HB3 H 1 3.187 . . . . . . . . . . . 4371 1 374 . 1 1 30 30 HIS HD2 H 1 7.159 . . . . . . . . . . . 4371 1 375 . 1 1 30 30 HIS HE1 H 1 8.549 . . . . . . . . . . . 4371 1 376 . 1 1 30 30 HIS HE2 H 1 8.361 . . . . . . . . . . . 4371 1 377 . 1 1 30 30 HIS C C 13 173.831 . . . . . . . . . . . 4371 1 378 . 1 1 30 30 HIS CA C 13 56.438 . . . . . . . . . . . 4371 1 379 . 1 1 30 30 HIS CB C 13 27.062 . . . . . . . . . . . 4371 1 380 . 1 1 30 30 HIS CD2 C 13 121.376 . . . . . . . . . . . 4371 1 381 . 1 1 30 30 HIS CE1 C 13 135.418 . . . . . . . . . . . 4371 1 382 . 1 1 30 30 HIS N N 15 114.559 . . . . . . . . . . . 4371 1 383 . 1 1 31 31 CYS H H 1 9.07 . . . . . . . . . . . 4371 1 384 . 1 1 31 31 CYS HA H 1 4.426 . . . . . . . . . . . 4371 1 385 . 1 1 31 31 CYS HB2 H 1 3.304 . . . . . . . . . . . 4371 1 386 . 1 1 31 31 CYS HB3 H 1 3.269 . . . . . . . . . . . 4371 1 387 . 1 1 31 31 CYS C C 13 175.355 . . . . . . . . . . . 4371 1 388 . 1 1 31 31 CYS CA C 13 56.438 . . . . . . . . . . . 4371 1 389 . 1 1 31 31 CYS CB C 13 39.25 . . . . . . . . . . . 4371 1 390 . 1 1 31 31 CYS N N 15 109.363 . . . . . . . . . . . 4371 1 391 . 1 1 32 32 LYS H H 1 6.841 . . . . . . . . . . . 4371 1 392 . 1 1 32 32 LYS HA H 1 4.321 . . . . . . . . . . . 4371 1 393 . 1 1 32 32 LYS HB2 H 1 2.205 . . . . . . . . . . . 4371 1 394 . 1 1 32 32 LYS HB3 H 1 1.737 . . . . . . . . . . . 4371 1 395 . 1 1 32 32 LYS HG2 H 1 1.62 . . . . . . . . . . . 4371 1 396 . 1 1 32 32 LYS HG3 H 1 1.527 . . . . . . . . . . . 4371 1 397 . 1 1 32 32 LYS HD2 H 1 2.018 . . . . . . . . . . . 4371 1 398 . 1 1 32 32 LYS HD3 H 1 1.831 . . . . . . . . . . . 4371 1 399 . 1 1 32 32 LYS HE2 H 1 3.329 . . . . . . . . . . . 4371 1 400 . 1 1 32 32 LYS HE3 H 1 3.281 . . . . . . . . . . . 4371 1 401 . 1 1 32 32 LYS C C 13 176.175 . . . . . . . . . . . 4371 1 402 . 1 1 32 32 LYS CA C 13 56.438 . . . . . . . . . . . 4371 1 403 . 1 1 32 32 LYS CB C 13 32.687 . . . . . . . . . . . 4371 1 404 . 1 1 32 32 LYS CG C 13 23.624 . . . . . . . . . . . 4371 1 405 . 1 1 32 32 LYS CD C 13 30.187 . . . . . . . . . . . 4371 1 406 . 1 1 32 32 LYS CE C 13 41.734 . . . . . . . . . . . 4371 1 407 . 1 1 32 32 LYS N N 15 117.02 . . . . . . . . . . . 4371 1 408 . 1 1 33 33 ASP H H 1 8.586 . . . . . . . . . . . 4371 1 409 . 1 1 33 33 ASP HA H 1 4.239 . . . . . . . . . . . 4371 1 410 . 1 1 33 33 ASP HB2 H 1 2.824 . . . . . . . . . . . 4371 1 411 . 1 1 33 33 ASP HB3 H 1 2.778 . . . . . . . . . . . 4371 1 412 . 1 1 33 33 ASP C C 13 174.798 . . . . . . . . . . . 4371 1 413 . 1 1 33 33 ASP CA C 13 57.688 . . . . . . . . . . . 4371 1 414 . 1 1 33 33 ASP CB C 13 40.187 . . . . . . . . . . . 4371 1 415 . 1 1 33 33 ASP N N 15 121.669 . . . . . . . . . . . 4371 1 416 . 1 1 34 34 LYS H H 1 7.466 . . . . . . . . . . . 4371 1 417 . 1 1 34 34 LYS HA H 1 5.431 . . . . . . . . . . . 4371 1 418 . 1 1 34 34 LYS HB2 H 1 1.901 . . . . . . . . . . . 4371 1 419 . 1 1 34 34 LYS HB3 H 1 1.796 . . . . . . . . . . . 4371 1 420 . 1 1 34 34 LYS HG2 H 1 1.316 . . . . . . . . . . . 4371 1 421 . 1 1 34 34 LYS HD2 H 1 1.609 . . . . . . . . . . . 4371 1 422 . 1 1 34 34 LYS HE2 H 1 2.93 . . . . . . . . . . . 4371 1 423 . 1 1 34 34 LYS C C 13 175.706 . . . . . . . . . . . 4371 1 424 . 1 1 34 34 LYS CA C 13 54.563 . . . . . . . . . . . 4371 1 425 . 1 1 34 34 LYS CB C 13 35.812 . . . . . . . . . . . 4371 1 426 . 1 1 34 34 LYS CG C 13 24.249 . . . . . . . . . . . 4371 1 427 . 1 1 34 34 LYS CD C 13 29.249 . . . . . . . . . . . 4371 1 428 . 1 1 34 34 LYS CE C 13 42.062 . . . . . . . . . . . 4371 1 429 . 1 1 34 34 LYS N N 15 114.559 . . . . . . . . . . . 4371 1 430 . 1 1 35 35 ASN H H 1 8.009 . . . . . . . . . . . 4371 1 431 . 1 1 35 35 ASN HA H 1 4.578 . . . . . . . . . . . 4371 1 432 . 1 1 35 35 ASN HB2 H 1 2.065 . . . . . . . . . . . 4371 1 433 . 1 1 35 35 ASN HB3 H 1 1.597 . . . . . . . . . . . 4371 1 434 . 1 1 35 35 ASN HD22 H 1 6.17 . . . . . . . . . . . 4371 1 435 . 1 1 35 35 ASN HD21 H 1 3.61 . . . . . . . . . . . 4371 1 436 . 1 1 35 35 ASN C C 13 172.718 . . . . . . . . . . . 4371 1 437 . 1 1 35 35 ASN CA C 13 54.875 . . . . . . . . . . . 4371 1 438 . 1 1 35 35 ASN CB C 13 44.875 . . . . . . . . . . . 4371 1 439 . 1 1 35 35 ASN ND2 N 15 114.286 . . . . . . . . . . . 4371 1 440 . 1 1 35 35 ASN N N 15 116.2 . . . . . . . . . . . 4371 1 441 . 1 1 36 36 THR H H 1 7.955 . . . . . . . . . . . 4371 1 442 . 1 1 36 36 THR HA H 1 4.519 . . . . . . . . . . . 4371 1 443 . 1 1 36 36 THR HB H 1 2.439 . . . . . . . . . . . 4371 1 444 . 1 1 36 36 THR HG21 H 1 0.779 . . . . . . . . . . . 4371 1 445 . 1 1 36 36 THR HG22 H 1 0.779 . . . . . . . . . . . 4371 1 446 . 1 1 36 36 THR HG23 H 1 0.779 . . . . . . . . . . . 4371 1 447 . 1 1 36 36 THR C C 13 172.278 . . . . . . . . . . . 4371 1 448 . 1 1 36 36 THR CA C 13 62.376 . . . . . . . . . . . 4371 1 449 . 1 1 36 36 THR CB C 13 69.251 . . . . . . . . . . . 4371 1 450 . 1 1 36 36 THR CG2 C 13 23.624 . . . . . . . . . . . 4371 1 451 . 1 1 36 36 THR N N 15 123.037 . . . . . . . . . . . 4371 1 452 . 1 1 37 37 PHE H H 1 9.241 . . . . . . . . . . . 4371 1 453 . 1 1 37 37 PHE HA H 1 4.613 . . . . . . . . . . . 4371 1 454 . 1 1 37 37 PHE HB2 H 1 2.906 . . . . . . . . . . . 4371 1 455 . 1 1 37 37 PHE HB3 H 1 2.532 . . . . . . . . . . . 4371 1 456 . 1 1 37 37 PHE HD1 H 1 6.875 . . . . . . . . . . . 4371 1 457 . 1 1 37 37 PHE HE1 H 1 6.896 . . . . . . . . . . . 4371 1 458 . 1 1 37 37 PHE HZ H 1 6.39 . . . . . . . . . . . 4371 1 459 . 1 1 37 37 PHE C C 13 173.567 . . . . . . . . . . . 4371 1 460 . 1 1 37 37 PHE CA C 13 55.813 . . . . . . . . . . . 4371 1 461 . 1 1 37 37 PHE CB C 13 41.125 . . . . . . . . . . . 4371 1 462 . 1 1 37 37 PHE CD1 C 13 132.402 . . . . . . . . . . . 4371 1 463 . 1 1 37 37 PHE CE1 C 13 131.049 . . . . . . . . . . . 4371 1 464 . 1 1 37 37 PHE CZ C 13 129.077 . . . . . . . . . . . 4371 1 465 . 1 1 37 37 PHE N N 15 125.498 . . . . . . . . . . . 4371 1 466 . 1 1 38 38 ILE H H 1 9.373 . . . . . . . . . . . 4371 1 467 . 1 1 38 38 ILE HA H 1 4.262 . . . . . . . . . . . 4371 1 468 . 1 1 38 38 ILE HB H 1 1.737 . . . . . . . . . . . 4371 1 469 . 1 1 38 38 ILE HG12 H 1 1.059 . . . . . . . . . . . 4371 1 470 . 1 1 38 38 ILE HG13 H 1 0.054 . . . . . . . . . . . 4371 1 471 . 1 1 38 38 ILE HG21 H 1 0.814 . . . . . . . . . . . 4371 1 472 . 1 1 38 38 ILE HG22 H 1 0.814 . . . . . . . . . . . 4371 1 473 . 1 1 38 38 ILE HG23 H 1 0.814 . . . . . . . . . . . 4371 1 474 . 1 1 38 38 ILE HD11 H 1 0.358 . . . . . . . . . . . 4371 1 475 . 1 1 38 38 ILE HD12 H 1 0.358 . . . . . . . . . . . 4371 1 476 . 1 1 38 38 ILE HD13 H 1 0.358 . . . . . . . . . . . 4371 1 477 . 1 1 38 38 ILE C C 13 175.501 . . . . . . . . . . . 4371 1 478 . 1 1 38 38 ILE CA C 13 60.501 . . . . . . . . . . . 4371 1 479 . 1 1 38 38 ILE CB C 13 40.812 . . . . . . . . . . . 4371 1 480 . 1 1 38 38 ILE CG1 C 13 26.124 . . . . . . . . . . . 4371 1 481 . 1 1 38 38 ILE CG2 C 13 18.936 . . . . . . . . . . . 4371 1 482 . 1 1 38 38 ILE CD1 C 13 15.811 . . . . . . . . . . . 4371 1 483 . 1 1 38 38 ILE N N 15 122.76 . . . . . . . . . . . 4371 1 484 . 1 1 39 39 TYR H H 1 8.928 . . . . . . . . . . . 4371 1 485 . 1 1 39 39 TYR HA H 1 5.396 . . . . . . . . . . . 4371 1 486 . 1 1 39 39 TYR HB2 H 1 3.152 . . . . . . . . . . . 4371 1 487 . 1 1 39 39 TYR HB3 H 1 2.591 . . . . . . . . . . . 4371 1 488 . 1 1 39 39 TYR HD1 H 1 6.895 . . . . . . . . . . . 4371 1 489 . 1 1 39 39 TYR HE1 H 1 6.642 . . . . . . . . . . . 4371 1 490 . 1 1 39 39 TYR C C 13 173.362 . . . . . . . . . . . 4371 1 491 . 1 1 39 39 TYR CA C 13 55.188 . . . . . . . . . . . 4371 1 492 . 1 1 39 39 TYR CB C 13 37.375 . . . . . . . . . . . 4371 1 493 . 1 1 39 39 TYR CD1 C 13 132.389 . . . . . . . . . . . 4371 1 494 . 1 1 39 39 TYR CE1 C 13 119.647 . . . . . . . . . . . 4371 1 495 . 1 1 39 39 TYR N N 15 129.326 . . . . . . . . . . . 4371 1 496 . 1 1 40 40 SER H H 1 7.696 . . . . . . . . . . . 4371 1 497 . 1 1 40 40 SER HA H 1 4.344 . . . . . . . . . . . 4371 1 498 . 1 1 40 40 SER HB2 H 1 4.157 . . . . . . . . . . . 4371 1 499 . 1 1 40 40 SER HB3 H 1 3.175 . . . . . . . . . . . 4371 1 500 . 1 1 40 40 SER C C 13 174.007 . . . . . . . . . . . 4371 1 501 . 1 1 40 40 SER CA C 13 57.063 . . . . . . . . . . . 4371 1 502 . 1 1 40 40 SER CB C 13 64.876 . . . . . . . . . . . 4371 1 503 . 1 1 40 40 SER N N 15 120.849 . . . . . . . . . . . 4371 1 504 . 1 1 41 41 ARG H H 1 8.391 . . . . . . . . . . . 4371 1 505 . 1 1 41 41 ARG HA H 1 4.695 . . . . . . . . . . . 4371 1 506 . 1 1 41 41 ARG HB2 H 1 2.38 . . . . . . . . . . . 4371 1 507 . 1 1 41 41 ARG HB3 H 1 1.667 . . . . . . . . . . . 4371 1 508 . 1 1 41 41 ARG HG2 H 1 1.866 . . . . . . . . . . . 4371 1 509 . 1 1 41 41 ARG HG3 H 1 1.829 . . . . . . . . . . . 4371 1 510 . 1 1 41 41 ARG HD2 H 1 3.339 . . . . . . . . . . . 4371 1 511 . 1 1 41 41 ARG HD3 H 1 3.292 . . . . . . . . . . . 4371 1 512 . 1 1 41 41 ARG HE H 1 7.49 . . . . . . . . . . . 4371 1 513 . 1 1 41 41 ARG HH11 H 1 6.773 . . . . . . . . . . . 4371 1 514 . 1 1 41 41 ARG C C 13 177.23 . . . . . . . . . . . 4371 1 515 . 1 1 41 41 ARG CA C 13 56.125 . . . . . . . . . . . 4371 1 516 . 1 1 41 41 ARG CB C 13 28.624 . . . . . . . . . . . 4371 1 517 . 1 1 41 41 ARG CG C 13 27.687 . . . . . . . . . . . 4371 1 518 . 1 1 41 41 ARG CD C 13 43 . . . . . . . . . . . 4371 1 519 . 1 1 41 41 ARG N N 15 123.31 . . . . . . . . . . . 4371 1 520 . 1 1 41 41 ARG NE N 15 84.494 . . . . . . . . . . . 4371 1 521 . 1 1 41 41 ARG NH1 N 15 71.65 . . . . . . . . . . . 4371 1 522 . 1 1 42 42 PRO HA H 1 4.426 . . . . . . . . . . . 4371 1 523 . 1 1 42 42 PRO HB2 H 1 2.439 . . . . . . . . . . . 4371 1 524 . 1 1 42 42 PRO HB3 H 1 2.287 . . . . . . . . . . . 4371 1 525 . 1 1 42 42 PRO HG2 H 1 2.275 . . . . . . . . . . . 4371 1 526 . 1 1 42 42 PRO HG3 H 1 2.111 . . . . . . . . . . . 4371 1 527 . 1 1 42 42 PRO HD2 H 1 3.935 . . . . . . . . . . . 4371 1 528 . 1 1 42 42 PRO HD3 H 1 3.9 . . . . . . . . . . . 4371 1 529 . 1 1 42 42 PRO C C 13 178.432 . . . . . . . . . . . 4371 1 530 . 1 1 42 42 PRO CA C 13 65.813 . . . . . . . . . . . 4371 1 531 . 1 1 42 42 PRO CB C 13 32.062 . . . . . . . . . . . 4371 1 532 . 1 1 42 42 PRO CG C 13 27.999 . . . . . . . . . . . 4371 1 533 . 1 1 42 42 PRO CD C 13 50.188 . . . . . . . . . . . 4371 1 534 . 1 1 43 43 GLU H H 1 9.315 . . . . . . . . . . . 4371 1 535 . 1 1 43 43 GLU HA H 1 4.169 . . . . . . . . . . . 4371 1 536 . 1 1 43 43 GLU HB2 H 1 2.31 . . . . . . . . . . . 4371 1 537 . 1 1 43 43 GLU HB3 H 1 1.983 . . . . . . . . . . . 4371 1 538 . 1 1 43 43 GLU HG2 H 1 2.637 . . . . . . . . . . . 4371 1 539 . 1 1 43 43 GLU HG3 H 1 2.392 . . . . . . . . . . . 4371 1 540 . 1 1 43 43 GLU C C 13 176.91 . . . . . . . . . . . 4371 1 541 . 1 1 43 43 GLU CA C 13 63.313 . . . . . . . . . . . 4371 1 542 . 1 1 43 43 GLU CB C 13 25.499 . . . . . . . . . . . 4371 1 543 . 1 1 43 43 GLU CG C 13 36.75 . . . . . . . . . . . 4371 1 544 . 1 1 43 43 GLU N N 15 118.388 . . . . . . . . . . . 4371 1 545 . 1 1 44 44 PRO HA H 1 4.426 . . . . . . . . . . . 4371 1 546 . 1 1 44 44 PRO HB2 H 1 2.439 . . . . . . . . . . . 4371 1 547 . 1 1 44 44 PRO HB3 H 1 1.878 . . . . . . . . . . . 4371 1 548 . 1 1 44 44 PRO HG2 H 1 2.076 . . . . . . . . . . . 4371 1 549 . 1 1 44 44 PRO HD2 H 1 3.912 . . . . . . . . . . . 4371 1 550 . 1 1 44 44 PRO HD3 H 1 3.654 . . . . . . . . . . . 4371 1 551 . 1 1 44 44 PRO C C 13 178.285 . . . . . . . . . . . 4371 1 552 . 1 1 44 44 PRO CA C 13 65.188 . . . . . . . . . . . 4371 1 553 . 1 1 44 44 PRO CB C 13 31.437 . . . . . . . . . . . 4371 1 554 . 1 1 44 44 PRO CG C 13 27.999 . . . . . . . . . . . 4371 1 555 . 1 1 44 44 PRO CD C 13 49.875 . . . . . . . . . . . 4371 1 556 . 1 1 45 45 VAL H H 1 6.855 . . . . . . . . . . . 4371 1 557 . 1 1 45 45 VAL HA H 1 3.865 . . . . . . . . . . . 4371 1 558 . 1 1 45 45 VAL HB H 1 2.579 . . . . . . . . . . . 4371 1 559 . 1 1 45 45 VAL HG11 H 1 1.235 . . . . . . . . . . . 4371 1 560 . 1 1 45 45 VAL HG12 H 1 1.235 . . . . . . . . . . . 4371 1 561 . 1 1 45 45 VAL HG13 H 1 1.235 . . . . . . . . . . . 4371 1 562 . 1 1 45 45 VAL HG21 H 1 1.164 . . . . . . . . . . . 4371 1 563 . 1 1 45 45 VAL HG22 H 1 1.164 . . . . . . . . . . . 4371 1 564 . 1 1 45 45 VAL HG23 H 1 1.164 . . . . . . . . . . . 4371 1 565 . 1 1 45 45 VAL C C 13 176.615 . . . . . . . . . . . 4371 1 566 . 1 1 45 45 VAL CA C 13 64.876 . . . . . . . . . . . 4371 1 567 . 1 1 45 45 VAL CB C 13 31.749 . . . . . . . . . . . 4371 1 568 . 1 1 45 45 VAL CG1 C 13 22.687 . . . . . . . . . . . 4371 1 569 . 1 1 45 45 VAL CG2 C 13 22.999 . . . . . . . . . . . 4371 1 570 . 1 1 45 45 VAL N N 15 115.653 . . . . . . . . . . . 4371 1 571 . 1 1 46 46 LYS H H 1 8.41 . . . . . . . . . . . 4371 1 572 . 1 1 46 46 LYS HA H 1 2.86 . . . . . . . . . . . 4371 1 573 . 1 1 46 46 LYS HB2 H 1 1.574 . . . . . . . . . . . 4371 1 574 . 1 1 46 46 LYS HB3 H 1 1.468 . . . . . . . . . . . 4371 1 575 . 1 1 46 46 LYS HG2 H 1 1.106 . . . . . . . . . . . 4371 1 576 . 1 1 46 46 LYS HG3 H 1 -0.151 . . . . . . . . . . . 4371 1 577 . 1 1 46 46 LYS HD2 H 1 1.223 . . . . . . . . . . . 4371 1 578 . 1 1 46 46 LYS HD3 H 1 1.141 . . . . . . . . . . . 4371 1 579 . 1 1 46 46 LYS HE2 H 1 2.38 . . . . . . . . . . . 4371 1 580 . 1 1 46 46 LYS HE3 H 1 2.205 . . . . . . . . . . . 4371 1 581 . 1 1 46 46 LYS C C 13 179.516 . . . . . . . . . . . 4371 1 582 . 1 1 46 46 LYS CA C 13 59.251 . . . . . . . . . . . 4371 1 583 . 1 1 46 46 LYS CB C 13 32.374 . . . . . . . . . . . 4371 1 584 . 1 1 46 46 LYS CG C 13 25.499 . . . . . . . . . . . 4371 1 585 . 1 1 46 46 LYS CD C 13 29.249 . . . . . . . . . . . 4371 1 586 . 1 1 46 46 LYS CE C 13 42.062 . . . . . . . . . . . 4371 1 587 . 1 1 46 46 LYS N N 15 121.122 . . . . . . . . . . . 4371 1 588 . 1 1 47 47 ALA H H 1 7.701 . . . . . . . . . . . 4371 1 589 . 1 1 47 47 ALA HA H 1 3.877 . . . . . . . . . . . 4371 1 590 . 1 1 47 47 ALA HB1 H 1 1.422 . . . . . . . . . . . 4371 1 591 . 1 1 47 47 ALA HB2 H 1 1.422 . . . . . . . . . . . 4371 1 592 . 1 1 47 47 ALA HB3 H 1 1.422 . . . . . . . . . . . 4371 1 593 . 1 1 47 47 ALA C C 13 178.959 . . . . . . . . . . . 4371 1 594 . 1 1 47 47 ALA CA C 13 53.938 . . . . . . . . . . . 4371 1 595 . 1 1 47 47 ALA CB C 13 18.311 . . . . . . . . . . . 4371 1 596 . 1 1 47 47 ALA N N 15 115.653 . . . . . . . . . . . 4371 1 597 . 1 1 48 48 ILE H H 1 7.359 . . . . . . . . . . . 4371 1 598 . 1 1 48 48 ILE HA H 1 3.654 . . . . . . . . . . . 4371 1 599 . 1 1 48 48 ILE HB H 1 1.714 . . . . . . . . . . . 4371 1 600 . 1 1 48 48 ILE HG12 H 1 1.784 . . . . . . . . . . . 4371 1 601 . 1 1 48 48 ILE HG13 H 1 1.246 . . . . . . . . . . . 4371 1 602 . 1 1 48 48 ILE HG21 H 1 0.65 . . . . . . . . . . . 4371 1 603 . 1 1 48 48 ILE HG22 H 1 0.65 . . . . . . . . . . . 4371 1 604 . 1 1 48 48 ILE HG23 H 1 0.65 . . . . . . . . . . . 4371 1 605 . 1 1 48 48 ILE HD11 H 1 0.755 . . . . . . . . . . . 4371 1 606 . 1 1 48 48 ILE HD12 H 1 0.755 . . . . . . . . . . . 4371 1 607 . 1 1 48 48 ILE HD13 H 1 0.755 . . . . . . . . . . . 4371 1 608 . 1 1 48 48 ILE C C 13 177.142 . . . . . . . . . . . 4371 1 609 . 1 1 48 48 ILE CA C 13 64.251 . . . . . . . . . . . 4371 1 610 . 1 1 48 48 ILE CB C 13 38.312 . . . . . . . . . . . 4371 1 611 . 1 1 48 48 ILE CG1 C 13 27.062 . . . . . . . . . . . 4371 1 612 . 1 1 48 48 ILE CG2 C 13 16.749 . . . . . . . . . . . 4371 1 613 . 1 1 48 48 ILE CD1 C 13 15.499 . . . . . . . . . . . 4371 1 614 . 1 1 48 48 ILE N N 15 119.208 . . . . . . . . . . . 4371 1 615 . 1 1 49 49 CYS H H 1 7.1 . . . . . . . . . . . 4371 1 616 . 1 1 49 49 CYS HA H 1 4.671 . . . . . . . . . . . 4371 1 617 . 1 1 49 49 CYS HB2 H 1 2.941 . . . . . . . . . . . 4371 1 618 . 1 1 49 49 CYS HB3 H 1 1.819 . . . . . . . . . . . 4371 1 619 . 1 1 49 49 CYS C C 13 174.271 . . . . . . . . . . . 4371 1 620 . 1 1 49 49 CYS CA C 13 51.438 . . . . . . . . . . . 4371 1 621 . 1 1 49 49 CYS CB C 13 36.125 . . . . . . . . . . . 4371 1 622 . 1 1 49 49 CYS N N 15 111.551 . . . . . . . . . . . 4371 1 623 . 1 1 50 50 LYS H H 1 7.251 . . . . . . . . . . . 4371 1 624 . 1 1 50 50 LYS HA H 1 3.83 . . . . . . . . . . . 4371 1 625 . 1 1 50 50 LYS HB2 H 1 1.749 . . . . . . . . . . . 4371 1 626 . 1 1 50 50 LYS HG2 H 1 1.375 . . . . . . . . . . . 4371 1 627 . 1 1 50 50 LYS HG3 H 1 1.335 . . . . . . . . . . . 4371 1 628 . 1 1 50 50 LYS HD2 H 1 1.646 . . . . . . . . . . . 4371 1 629 . 1 1 50 50 LYS HD3 H 1 1.618 . . . . . . . . . . . 4371 1 630 . 1 1 50 50 LYS HE2 H 1 2.919 . . . . . . . . . . . 4371 1 631 . 1 1 50 50 LYS C C 13 177.67 . . . . . . . . . . . 4371 1 632 . 1 1 50 50 LYS CA C 13 59.251 . . . . . . . . . . . 4371 1 633 . 1 1 50 50 LYS CB C 13 32.062 . . . . . . . . . . . 4371 1 634 . 1 1 50 50 LYS CG C 13 24.562 . . . . . . . . . . . 4371 1 635 . 1 1 50 50 LYS CD C 13 29.33 . . . . . . . . . . . 4371 1 636 . 1 1 50 50 LYS CE C 13 42.065 . . . . . . . . . . . 4371 1 637 . 1 1 50 50 LYS N N 15 123.584 . . . . . . . . . . . 4371 1 638 . 1 1 51 51 GLY H H 1 9.1 . . . . . . . . . . . 4371 1 639 . 1 1 51 51 GLY HA2 H 1 4.087 . . . . . . . . . . . 4371 1 640 . 1 1 51 51 GLY HA3 H 1 3.456 . . . . . . . . . . . 4371 1 641 . 1 1 51 51 GLY C C 13 173.362 . . . . . . . . . . . 4371 1 642 . 1 1 51 51 GLY CA C 13 45.187 . . . . . . . . . . . 4371 1 643 . 1 1 51 51 GLY N N 15 113.739 . . . . . . . . . . . 4371 1 644 . 1 1 52 52 ILE H H 1 7.765 . . . . . . . . . . . 4371 1 645 . 1 1 52 52 ILE HA H 1 3.958 . . . . . . . . . . . 4371 1 646 . 1 1 52 52 ILE HB H 1 1.702 . . . . . . . . . . . 4371 1 647 . 1 1 52 52 ILE HG12 H 1 1.223 . . . . . . . . . . . 4371 1 648 . 1 1 52 52 ILE HG13 H 1 0.931 . . . . . . . . . . . 4371 1 649 . 1 1 52 52 ILE HG21 H 1 0.732 . . . . . . . . . . . 4371 1 650 . 1 1 52 52 ILE HG22 H 1 0.732 . . . . . . . . . . . 4371 1 651 . 1 1 52 52 ILE HG23 H 1 0.732 . . . . . . . . . . . 4371 1 652 . 1 1 52 52 ILE HD11 H 1 0.709 . . . . . . . . . . . 4371 1 653 . 1 1 52 52 ILE HD12 H 1 0.709 . . . . . . . . . . . 4371 1 654 . 1 1 52 52 ILE HD13 H 1 0.709 . . . . . . . . . . . 4371 1 655 . 1 1 52 52 ILE C C 13 173.772 . . . . . . . . . . . 4371 1 656 . 1 1 52 52 ILE CA C 13 60.501 . . . . . . . . . . . 4371 1 657 . 1 1 52 52 ILE CB C 13 36.125 . . . . . . . . . . . 4371 1 658 . 1 1 52 52 ILE CG1 C 13 26.437 . . . . . . . . . . . 4371 1 659 . 1 1 52 52 ILE CG2 C 13 18.624 . . . . . . . . . . . 4371 1 660 . 1 1 52 52 ILE CD1 C 13 12.374 . . . . . . . . . . . 4371 1 661 . 1 1 52 52 ILE N N 15 122.216 . . . . . . . . . . . 4371 1 662 . 1 1 53 53 ILE H H 1 8.195 . . . . . . . . . . . 4371 1 663 . 1 1 53 53 ILE HA H 1 3.771 . . . . . . . . . . . 4371 1 664 . 1 1 53 53 ILE HB H 1 1.878 . . . . . . . . . . . 4371 1 665 . 1 1 53 53 ILE HG12 H 1 1.363 . . . . . . . . . . . 4371 1 666 . 1 1 53 53 ILE HG13 H 1 1.141 . . . . . . . . . . . 4371 1 667 . 1 1 53 53 ILE HG21 H 1 0.919 . . . . . . . . . . . 4371 1 668 . 1 1 53 53 ILE HG22 H 1 0.919 . . . . . . . . . . . 4371 1 669 . 1 1 53 53 ILE HG23 H 1 0.919 . . . . . . . . . . . 4371 1 670 . 1 1 53 53 ILE HD11 H 1 0.709 . . . . . . . . . . . 4371 1 671 . 1 1 53 53 ILE HD12 H 1 0.709 . . . . . . . . . . . 4371 1 672 . 1 1 53 53 ILE HD13 H 1 0.709 . . . . . . . . . . . 4371 1 673 . 1 1 53 53 ILE C C 13 176.585 . . . . . . . . . . . 4371 1 674 . 1 1 53 53 ILE CA C 13 63.313 . . . . . . . . . . . 4371 1 675 . 1 1 53 53 ILE CB C 13 37.687 . . . . . . . . . . . 4371 1 676 . 1 1 53 53 ILE CG1 C 13 27.999 . . . . . . . . . . . 4371 1 677 . 1 1 53 53 ILE CG2 C 13 17.374 . . . . . . . . . . . 4371 1 678 . 1 1 53 53 ILE CD1 C 13 11.749 . . . . . . . . . . . 4371 1 679 . 1 1 53 53 ILE N N 15 127.959 . . . . . . . . . . . 4371 1 680 . 1 1 54 54 ALA H H 1 7.706 . . . . . . . . . . . 4371 1 681 . 1 1 54 54 ALA HA H 1 4.274 . . . . . . . . . . . 4371 1 682 . 1 1 54 54 ALA HB1 H 1 1.351 . . . . . . . . . . . 4371 1 683 . 1 1 54 54 ALA HB2 H 1 1.351 . . . . . . . . . . . 4371 1 684 . 1 1 54 54 ALA HB3 H 1 1.351 . . . . . . . . . . . 4371 1 685 . 1 1 54 54 ALA C C 13 176.585 . . . . . . . . . . . 4371 1 686 . 1 1 54 54 ALA CA C 13 51.75 . . . . . . . . . . . 4371 1 687 . 1 1 54 54 ALA CB C 13 18.624 . . . . . . . . . . . 4371 1 688 . 1 1 54 54 ALA N N 15 123.31 . . . . . . . . . . . 4371 1 689 . 1 1 55 55 SER H H 1 7.892 . . . . . . . . . . . 4371 1 690 . 1 1 55 55 SER HA H 1 4.952 . . . . . . . . . . . 4371 1 691 . 1 1 55 55 SER HB2 H 1 3.631 . . . . . . . . . . . 4371 1 692 . 1 1 55 55 SER C C 13 175.824 . . . . . . . . . . . 4371 1 693 . 1 1 55 55 SER CA C 13 58.626 . . . . . . . . . . . 4371 1 694 . 1 1 55 55 SER CB C 13 63.313 . . . . . . . . . . . 4371 1 695 . 1 1 55 55 SER N N 15 112.371 . . . . . . . . . . . 4371 1 696 . 1 1 56 56 LYS H H 1 8.337 . . . . . . . . . . . 4371 1 697 . 1 1 56 56 LYS HA H 1 4.309 . . . . . . . . . . . 4371 1 698 . 1 1 56 56 LYS HB2 H 1 1.761 . . . . . . . . . . . 4371 1 699 . 1 1 56 56 LYS HB3 H 1 1.527 . . . . . . . . . . . 4371 1 700 . 1 1 56 56 LYS HG2 H 1 1.316 . . . . . . . . . . . 4371 1 701 . 1 1 56 56 LYS HD2 H 1 1.595 . . . . . . . . . . . 4371 1 702 . 1 1 56 56 LYS HE2 H 1 2.913 . . . . . . . . . . . 4371 1 703 . 1 1 56 56 LYS C C 13 174.417 . . . . . . . . . . . 4371 1 704 . 1 1 56 56 LYS CA C 13 56.125 . . . . . . . . . . . 4371 1 705 . 1 1 56 56 LYS CB C 13 35.812 . . . . . . . . . . . 4371 1 706 . 1 1 56 56 LYS CG C 13 24.249 . . . . . . . . . . . 4371 1 707 . 1 1 56 56 LYS CD C 13 29.408 . . . . . . . . . . . 4371 1 708 . 1 1 56 56 LYS CE C 13 42.117 . . . . . . . . . . . 4371 1 709 . 1 1 56 56 LYS N N 15 125.498 . . . . . . . . . . . 4371 1 710 . 1 1 57 57 ASN H H 1 8.63 . . . . . . . . . . . 4371 1 711 . 1 1 57 57 ASN HA H 1 5.724 . . . . . . . . . . . 4371 1 712 . 1 1 57 57 ASN HB2 H 1 2.731 . . . . . . . . . . . 4371 1 713 . 1 1 57 57 ASN HB3 H 1 2.427 . . . . . . . . . . . 4371 1 714 . 1 1 57 57 ASN HD21 H 1 7.638 . . . . . . . . . . . 4371 1 715 . 1 1 57 57 ASN HD22 H 1 6.933 . . . . . . . . . . . 4371 1 716 . 1 1 57 57 ASN C C 13 175.003 . . . . . . . . . . . 4371 1 717 . 1 1 57 57 ASN CA C 13 51.75 . . . . . . . . . . . 4371 1 718 . 1 1 57 57 ASN CB C 13 36.75 . . . . . . . . . . . 4371 1 719 . 1 1 57 57 ASN ND2 N 15 111.551 . . . . . . . . . . . 4371 1 720 . 1 1 57 57 ASN N N 15 126.045 . . . . . . . . . . . 4371 1 721 . 1 1 58 58 VAL H H 1 9.325 . . . . . . . . . . . 4371 1 722 . 1 1 58 58 VAL HA H 1 4.087 . . . . . . . . . . . 4371 1 723 . 1 1 58 58 VAL HB H 1 1.737 . . . . . . . . . . . 4371 1 724 . 1 1 58 58 VAL HG11 H 1 0.72 . . . . . . . . . . . 4371 1 725 . 1 1 58 58 VAL HG12 H 1 0.72 . . . . . . . . . . . 4371 1 726 . 1 1 58 58 VAL HG13 H 1 0.72 . . . . . . . . . . . 4371 1 727 . 1 1 58 58 VAL HG21 H 1 0.673 . . . . . . . . . . . 4371 1 728 . 1 1 58 58 VAL HG22 H 1 0.673 . . . . . . . . . . . 4371 1 729 . 1 1 58 58 VAL HG23 H 1 0.673 . . . . . . . . . . . 4371 1 730 . 1 1 58 58 VAL C C 13 172.454 . . . . . . . . . . . 4371 1 731 . 1 1 58 58 VAL CA C 13 61.438 . . . . . . . . . . . 4371 1 732 . 1 1 58 58 VAL CB C 13 36.125 . . . . . . . . . . . 4371 1 733 . 1 1 58 58 VAL CG1 C 13 21.749 . . . . . . . . . . . 4371 1 734 . 1 1 58 58 VAL CG2 C 13 21.124 . . . . . . . . . . . 4371 1 735 . 1 1 58 58 VAL N N 15 124.951 . . . . . . . . . . . 4371 1 736 . 1 1 59 59 LEU H H 1 8.024 . . . . . . . . . . . 4371 1 737 . 1 1 59 59 LEU HA H 1 4.59 . . . . . . . . . . . 4371 1 738 . 1 1 59 59 LEU HB2 H 1 1.667 . . . . . . . . . . . 4371 1 739 . 1 1 59 59 LEU HB3 H 1 1.387 . . . . . . . . . . . 4371 1 740 . 1 1 59 59 LEU HG H 1 1.737 . . . . . . . . . . . 4371 1 741 . 1 1 59 59 LEU HD11 H 1 0.814 . . . . . . . . . . . 4371 1 742 . 1 1 59 59 LEU HD12 H 1 0.814 . . . . . . . . . . . 4371 1 743 . 1 1 59 59 LEU HD13 H 1 0.814 . . . . . . . . . . . 4371 1 744 . 1 1 59 59 LEU HD21 H 1 0.416 . . . . . . . . . . . 4371 1 745 . 1 1 59 59 LEU HD22 H 1 0.416 . . . . . . . . . . . 4371 1 746 . 1 1 59 59 LEU HD23 H 1 0.416 . . . . . . . . . . . 4371 1 747 . 1 1 59 59 LEU C C 13 177.259 . . . . . . . . . . . 4371 1 748 . 1 1 59 59 LEU CA C 13 52.375 . . . . . . . . . . . 4371 1 749 . 1 1 59 59 LEU CB C 13 43.625 . . . . . . . . . . . 4371 1 750 . 1 1 59 59 LEU CG C 13 25.812 . . . . . . . . . . . 4371 1 751 . 1 1 59 59 LEU CD1 C 13 26.437 . . . . . . . . . . . 4371 1 752 . 1 1 59 59 LEU CD2 C 13 22.687 . . . . . . . . . . . 4371 1 753 . 1 1 59 59 LEU N N 15 127.686 . . . . . . . . . . . 4371 1 754 . 1 1 60 60 THR H H 1 8.591 . . . . . . . . . . . 4371 1 755 . 1 1 60 60 THR HA H 1 4.017 . . . . . . . . . . . 4371 1 756 . 1 1 60 60 THR HB H 1 4.566 . . . . . . . . . . . 4371 1 757 . 1 1 60 60 THR HG21 H 1 0.451 . . . . . . . . . . . 4371 1 758 . 1 1 60 60 THR HG22 H 1 0.451 . . . . . . . . . . . 4371 1 759 . 1 1 60 60 THR HG23 H 1 0.451 . . . . . . . . . . . 4371 1 760 . 1 1 60 60 THR C C 13 174.652 . . . . . . . . . . . 4371 1 761 . 1 1 60 60 THR CA C 13 63.001 . . . . . . . . . . . 4371 1 762 . 1 1 60 60 THR CB C 13 69.564 . . . . . . . . . . . 4371 1 763 . 1 1 60 60 THR CG2 C 13 21.436 . . . . . . . . . . . 4371 1 764 . 1 1 60 60 THR N N 15 118.388 . . . . . . . . . . . 4371 1 765 . 1 1 61 61 THR H H 1 8.435 . . . . . . . . . . . 4371 1 766 . 1 1 61 61 THR HA H 1 4.18 . . . . . . . . . . . 4371 1 767 . 1 1 61 61 THR HB H 1 4.297 . . . . . . . . . . . 4371 1 768 . 1 1 61 61 THR HG21 H 1 1.244 . . . . . . . . . . . 4371 1 769 . 1 1 61 61 THR HG22 H 1 1.244 . . . . . . . . . . . 4371 1 770 . 1 1 61 61 THR HG23 H 1 1.244 . . . . . . . . . . . 4371 1 771 . 1 1 61 61 THR C C 13 175.15 . . . . . . . . . . . 4371 1 772 . 1 1 61 61 THR CA C 13 62.688 . . . . . . . . . . . 4371 1 773 . 1 1 61 61 THR CB C 13 68.938 . . . . . . . . . . . 4371 1 774 . 1 1 61 61 THR CG2 C 13 22.061 . . . . . . . . . . . 4371 1 775 . 1 1 61 61 THR N N 15 111.551 . . . . . . . . . . . 4371 1 776 . 1 1 62 62 SER H H 1 7.515 . . . . . . . . . . . 4371 1 777 . 1 1 62 62 SER HA H 1 4.578 . . . . . . . . . . . 4371 1 778 . 1 1 62 62 SER HB2 H 1 3.608 . . . . . . . . . . . 4371 1 779 . 1 1 62 62 SER C C 13 172.688 . . . . . . . . . . . 4371 1 780 . 1 1 62 62 SER CA C 13 56.438 . . . . . . . . . . . 4371 1 781 . 1 1 62 62 SER CB C 13 64.876 . . . . . . . . . . . 4371 1 782 . 1 1 62 62 SER N N 15 114.286 . . . . . . . . . . . 4371 1 783 . 1 1 63 63 GLU H H 1 8.293 . . . . . . . . . . . 4371 1 784 . 1 1 63 63 GLU HA H 1 4.134 . . . . . . . . . . . 4371 1 785 . 1 1 63 63 GLU HB2 H 1 1.715 . . . . . . . . . . . 4371 1 786 . 1 1 63 63 GLU HB3 H 1 1.634 . . . . . . . . . . . 4371 1 787 . 1 1 63 63 GLU HG2 H 1 2.287 . . . . . . . . . . . 4371 1 788 . 1 1 63 63 GLU HG3 H 1 2.135 . . . . . . . . . . . 4371 1 789 . 1 1 63 63 GLU C C 13 175.384 . . . . . . . . . . . 4371 1 790 . 1 1 63 63 GLU CA C 13 55.813 . . . . . . . . . . . 4371 1 791 . 1 1 63 63 GLU CB C 13 30.294 . . . . . . . . . . . 4371 1 792 . 1 1 63 63 GLU CG C 13 35.187 . . . . . . . . . . . 4371 1 793 . 1 1 63 63 GLU N N 15 118.388 . . . . . . . . . . . 4371 1 794 . 1 1 64 64 PHE H H 1 8.552 . . . . . . . . . . . 4371 1 795 . 1 1 64 64 PHE HA H 1 4.555 . . . . . . . . . . . 4371 1 796 . 1 1 64 64 PHE HB2 H 1 3.28 . . . . . . . . . . . 4371 1 797 . 1 1 64 64 PHE HB3 H 1 2.965 . . . . . . . . . . . 4371 1 798 . 1 1 64 64 PHE HD1 H 1 7.4 . . . . . . . . . . . 4371 1 799 . 1 1 64 64 PHE HD2 H 1 7.4 . . . . . . . . . . . 4371 1 800 . 1 1 64 64 PHE HE1 H 1 7.13 . . . . . . . . . . . 4371 1 801 . 1 1 64 64 PHE HE2 H 1 7.13 . . . . . . . . . . . 4371 1 802 . 1 1 64 64 PHE HZ H 1 7.1 . . . . . . . . . . . 4371 1 803 . 1 1 64 64 PHE C C 13 174.3 . . . . . . . . . . . 4371 1 804 . 1 1 64 64 PHE CA C 13 56.438 . . . . . . . . . . . 4371 1 805 . 1 1 64 64 PHE CB C 13 43.937 . . . . . . . . . . . 4371 1 806 . 1 1 64 64 PHE CD1 C 13 132.485 . . . . . . . . . . . 4371 1 807 . 1 1 64 64 PHE CD2 C 13 132.485 . . . . . . . . . . . 4371 1 808 . 1 1 64 64 PHE CE1 C 13 131.088 . . . . . . . . . . . 4371 1 809 . 1 1 64 64 PHE CE2 C 13 131.088 . . . . . . . . . . . 4371 1 810 . 1 1 64 64 PHE CZ C 13 129.501 . . . . . . . . . . . 4371 1 811 . 1 1 64 64 PHE N N 15 121.122 . . . . . . . . . . . 4371 1 812 . 1 1 65 65 TYR H H 1 9.66 . . . . . . . . . . . 4371 1 813 . 1 1 65 65 TYR HA H 1 4.894 . . . . . . . . . . . 4371 1 814 . 1 1 65 65 TYR HB2 H 1 3.549 . . . . . . . . . . . 4371 1 815 . 1 1 65 65 TYR HB3 H 1 2.976 . . . . . . . . . . . 4371 1 816 . 1 1 65 65 TYR HD1 H 1 7.356 . . . . . . . . . . . 4371 1 817 . 1 1 65 65 TYR HE1 H 1 6.884 . . . . . . . . . . . 4371 1 818 . 1 1 65 65 TYR C C 13 175.003 . . . . . . . . . . . 4371 1 819 . 1 1 65 65 TYR CA C 13 58.313 . . . . . . . . . . . 4371 1 820 . 1 1 65 65 TYR CB C 13 38 . . . . . . . . . . . 4371 1 821 . 1 1 65 65 TYR CD1 C 13 132.746 . . . . . . . . . . . 4371 1 822 . 1 1 65 65 TYR CE1 C 13 119.938 . . . . . . . . . . . 4371 1 823 . 1 1 65 65 TYR N N 15 119.482 . . . . . . . . . . . 4371 1 824 . 1 1 66 66 LEU H H 1 9.276 . . . . . . . . . . . 4371 1 825 . 1 1 66 66 LEU HA H 1 5.361 . . . . . . . . . . . 4371 1 826 . 1 1 66 66 LEU HB2 H 1 1.948 . . . . . . . . . . . 4371 1 827 . 1 1 66 66 LEU HB3 H 1 1.2 . . . . . . . . . . . 4371 1 828 . 1 1 66 66 LEU HG H 1 1.936 . . . . . . . . . . . 4371 1 829 . 1 1 66 66 LEU HD11 H 1 0.907 . . . . . . . . . . . 4371 1 830 . 1 1 66 66 LEU HD12 H 1 0.907 . . . . . . . . . . . 4371 1 831 . 1 1 66 66 LEU HD13 H 1 0.907 . . . . . . . . . . . 4371 1 832 . 1 1 66 66 LEU HD21 H 1 0.685 . . . . . . . . . . . 4371 1 833 . 1 1 66 66 LEU HD22 H 1 0.685 . . . . . . . . . . . 4371 1 834 . 1 1 66 66 LEU HD23 H 1 0.685 . . . . . . . . . . . 4371 1 835 . 1 1 66 66 LEU C C 13 178.051 . . . . . . . . . . . 4371 1 836 . 1 1 66 66 LEU CA C 13 53.625 . . . . . . . . . . . 4371 1 837 . 1 1 66 66 LEU CB C 13 43.625 . . . . . . . . . . . 4371 1 838 . 1 1 66 66 LEU CG C 13 26.437 . . . . . . . . . . . 4371 1 839 . 1 1 66 66 LEU CD1 C 13 27.374 . . . . . . . . . . . 4371 1 840 . 1 1 66 66 LEU CD2 C 13 23.937 . . . . . . . . . . . 4371 1 841 . 1 1 66 66 LEU N N 15 126.045 . . . . . . . . . . . 4371 1 842 . 1 1 67 67 SER H H 1 9.354 . . . . . . . . . . . 4371 1 843 . 1 1 67 67 SER HA H 1 5.081 . . . . . . . . . . . 4371 1 844 . 1 1 67 67 SER HB2 H 1 3.9 . . . . . . . . . . . 4371 1 845 . 1 1 67 67 SER HB3 H 1 3.678 . . . . . . . . . . . 4371 1 846 . 1 1 67 67 SER HG H 1 6.042 . . . . . . . . . . . 4371 1 847 . 1 1 67 67 SER C C 13 171.78 . . . . . . . . . . . 4371 1 848 . 1 1 67 67 SER CA C 13 58.001 . . . . . . . . . . . 4371 1 849 . 1 1 67 67 SER CB C 13 66.126 . . . . . . . . . . . 4371 1 850 . 1 1 67 67 SER N N 15 120.849 . . . . . . . . . . . 4371 1 851 . 1 1 68 68 ASP H H 1 9.364 . . . . . . . . . . . 4371 1 852 . 1 1 68 68 ASP HA H 1 5.361 . . . . . . . . . . . 4371 1 853 . 1 1 68 68 ASP HB2 H 1 2.532 . . . . . . . . . . . 4371 1 854 . 1 1 68 68 ASP C C 13 175.384 . . . . . . . . . . . 4371 1 855 . 1 1 68 68 ASP CA C 13 53.313 . . . . . . . . . . . 4371 1 856 . 1 1 68 68 ASP CB C 13 43.625 . . . . . . . . . . . 4371 1 857 . 1 1 68 68 ASP N N 15 125.771 . . . . . . . . . . . 4371 1 858 . 1 1 69 69 CYS H H 1 8.425 . . . . . . . . . . . 4371 1 859 . 1 1 69 69 CYS HA H 1 5.186 . . . . . . . . . . . 4371 1 860 . 1 1 69 69 CYS HB2 H 1 2.45 . . . . . . . . . . . 4371 1 861 . 1 1 69 69 CYS HB3 H 1 2.275 . . . . . . . . . . . 4371 1 862 . 1 1 69 69 CYS C C 13 173.186 . . . . . . . . . . . 4371 1 863 . 1 1 69 69 CYS CA C 13 53.313 . . . . . . . . . . . 4371 1 864 . 1 1 69 69 CYS CB C 13 41.437 . . . . . . . . . . . 4371 1 865 . 1 1 69 69 CYS N N 15 120.029 . . . . . . . . . . . 4371 1 866 . 1 1 70 70 ASN H H 1 8.679 . . . . . . . . . . . 4371 1 867 . 1 1 70 70 ASN HA H 1 5.478 . . . . . . . . . . . 4371 1 868 . 1 1 70 70 ASN HB2 H 1 2.824 . . . . . . . . . . . 4371 1 869 . 1 1 70 70 ASN HB3 H 1 2.696 . . . . . . . . . . . 4371 1 870 . 1 1 70 70 ASN HD21 H 1 7.383 . . . . . . . . . . . 4371 1 871 . 1 1 70 70 ASN HD22 H 1 6.982 . . . . . . . . . . . 4371 1 872 . 1 1 70 70 ASN C C 13 174.915 . . . . . . . . . . . 4371 1 873 . 1 1 70 70 ASN CA C 13 52.375 . . . . . . . . . . . 4371 1 874 . 1 1 70 70 ASN CB C 13 41.75 . . . . . . . . . . . 4371 1 875 . 1 1 70 70 ASN ND2 N 15 111.278 . . . . . . . . . . . 4371 1 876 . 1 1 70 70 ASN N N 15 121.396 . . . . . . . . . . . 4371 1 877 . 1 1 71 71 VAL H H 1 8.894 . . . . . . . . . . . 4371 1 878 . 1 1 71 71 VAL HA H 1 3.666 . . . . . . . . . . . 4371 1 879 . 1 1 71 71 VAL HB H 1 2.24 . . . . . . . . . . . 4371 1 880 . 1 1 71 71 VAL HG11 H 1 0.907 . . . . . . . . . . . 4371 1 881 . 1 1 71 71 VAL HG12 H 1 0.907 . . . . . . . . . . . 4371 1 882 . 1 1 71 71 VAL HG13 H 1 0.907 . . . . . . . . . . . 4371 1 883 . 1 1 71 71 VAL HG21 H 1 0.79 . . . . . . . . . . . 4371 1 884 . 1 1 71 71 VAL HG22 H 1 0.79 . . . . . . . . . . . 4371 1 885 . 1 1 71 71 VAL HG23 H 1 0.79 . . . . . . . . . . . 4371 1 886 . 1 1 71 71 VAL C C 13 174.798 . . . . . . . . . . . 4371 1 887 . 1 1 71 71 VAL CA C 13 63.313 . . . . . . . . . . . 4371 1 888 . 1 1 71 71 VAL CB C 13 31.749 . . . . . . . . . . . 4371 1 889 . 1 1 71 71 VAL CG1 C 13 19.249 . . . . . . . . . . . 4371 1 890 . 1 1 71 71 VAL CG2 C 13 21.749 . . . . . . . . . . . 4371 1 891 . 1 1 71 71 VAL N N 15 128.233 . . . . . . . . . . . 4371 1 892 . 1 1 72 72 THR H H 1 8.043 . . . . . . . . . . . 4371 1 893 . 1 1 72 72 THR HA H 1 4.625 . . . . . . . . . . . 4371 1 894 . 1 1 72 72 THR HB H 1 4.566 . . . . . . . . . . . 4371 1 895 . 1 1 72 72 THR HG21 H 1 1.153 . . . . . . . . . . . 4371 1 896 . 1 1 72 72 THR HG22 H 1 1.153 . . . . . . . . . . . 4371 1 897 . 1 1 72 72 THR HG23 H 1 1.153 . . . . . . . . . . . 4371 1 898 . 1 1 72 72 THR C C 13 173.157 . . . . . . . . . . . 4371 1 899 . 1 1 72 72 THR CA C 13 60.501 . . . . . . . . . . . 4371 1 900 . 1 1 72 72 THR CB C 13 70.814 . . . . . . . . . . . 4371 1 901 . 1 1 72 72 THR CG2 C 13 21.436 . . . . . . . . . . . 4371 1 902 . 1 1 72 72 THR N N 15 116.2 . . . . . . . . . . . 4371 1 903 . 1 1 73 73 SER H H 1 8.048 . . . . . . . . . . . 4371 1 904 . 1 1 73 73 SER HA H 1 4.192 . . . . . . . . . . . 4371 1 905 . 1 1 73 73 SER HB2 H 1 3.982 . . . . . . . . . . . 4371 1 906 . 1 1 73 73 SER HB3 H 1 3.865 . . . . . . . . . . . 4371 1 907 . 1 1 73 73 SER C C 13 174.153 . . . . . . . . . . . 4371 1 908 . 1 1 73 73 SER CA C 13 59.563 . . . . . . . . . . . 4371 1 909 . 1 1 73 73 SER CB C 13 63.001 . . . . . . . . . . . 4371 1 910 . 1 1 73 73 SER N N 15 111.551 . . . . . . . . . . . 4371 1 911 . 1 1 74 74 ARG H H 1 7.691 . . . . . . . . . . . 4371 1 912 . 1 1 74 74 ARG HA H 1 4.671 . . . . . . . . . . . 4371 1 913 . 1 1 74 74 ARG HB2 H 1 1.523 . . . . . . . . . . . 4371 1 914 . 1 1 74 74 ARG HB3 H 1 1.398 . . . . . . . . . . . 4371 1 915 . 1 1 74 74 ARG HG2 H 1 1.527 . . . . . . . . . . . 4371 1 916 . 1 1 74 74 ARG HG3 H 1 1.492 . . . . . . . . . . . 4371 1 917 . 1 1 74 74 ARG HD2 H 1 3.082 . . . . . . . . . . . 4371 1 918 . 1 1 74 74 ARG HE H 1 7.06 . . . . . . . . . . . 4371 1 919 . 1 1 74 74 ARG C C 13 172.16 . . . . . . . . . . . 4371 1 920 . 1 1 74 74 ARG CA C 13 52.375 . . . . . . . . . . . 4371 1 921 . 1 1 74 74 ARG CB C 13 30.499 . . . . . . . . . . . 4371 1 922 . 1 1 74 74 ARG CG C 13 26.437 . . . . . . . . . . . 4371 1 923 . 1 1 74 74 ARG CD C 13 43.312 . . . . . . . . . . . 4371 1 924 . 1 1 74 74 ARG N N 15 123.584 . . . . . . . . . . . 4371 1 925 . 1 1 74 74 ARG NE N 15 84.795 . . . . . . . . . . . 4371 1 926 . 1 1 75 75 PRO HA H 1 3.923 . . . . . . . . . . . 4371 1 927 . 1 1 75 75 PRO HB2 H 1 2.193 . . . . . . . . . . . 4371 1 928 . 1 1 75 75 PRO HB3 H 1 1.749 . . . . . . . . . . . 4371 1 929 . 1 1 75 75 PRO HG2 H 1 1.994 . . . . . . . . . . . 4371 1 930 . 1 1 75 75 PRO HG3 H 1 1.901 . . . . . . . . . . . 4371 1 931 . 1 1 75 75 PRO HD2 H 1 3.83 . . . . . . . . . . . 4371 1 932 . 1 1 75 75 PRO HD3 H 1 3.491 . . . . . . . . . . . 4371 1 933 . 1 1 75 75 PRO C C 13 176.82 . . . . . . . . . . . 4371 1 934 . 1 1 75 75 PRO CA C 13 63.001 . . . . . . . . . . . 4371 1 935 . 1 1 75 75 PRO CB C 13 31.749 . . . . . . . . . . . 4371 1 936 . 1 1 75 75 PRO CG C 13 27.374 . . . . . . . . . . . 4371 1 937 . 1 1 75 75 PRO CD C 13 50.5 . . . . . . . . . . . 4371 1 938 . 1 1 76 76 CYS H H 1 8.562 . . . . . . . . . . . 4371 1 939 . 1 1 76 76 CYS HA H 1 3.771 . . . . . . . . . . . 4371 1 940 . 1 1 76 76 CYS HB2 H 1 4.134 . . . . . . . . . . . 4371 1 941 . 1 1 76 76 CYS HB3 H 1 2.602 . . . . . . . . . . . 4371 1 942 . 1 1 76 76 CYS C C 13 172.161 . . . . . . . . . . . 4371 1 943 . 1 1 76 76 CYS CA C 13 59.563 . . . . . . . . . . . 4371 1 944 . 1 1 76 76 CYS CB C 13 46.438 . . . . . . . . . . . 4371 1 945 . 1 1 76 76 CYS N N 15 119.208 . . . . . . . . . . . 4371 1 946 . 1 1 77 77 LYS H H 1 6.992 . . . . . . . . . . . 4371 1 947 . 1 1 77 77 LYS HA H 1 4.671 . . . . . . . . . . . 4371 1 948 . 1 1 77 77 LYS HB2 H 1 1.562 . . . . . . . . . . . 4371 1 949 . 1 1 77 77 LYS HB3 H 1 1.468 . . . . . . . . . . . 4371 1 950 . 1 1 77 77 LYS HG2 H 1 1.106 . . . . . . . . . . . 4371 1 951 . 1 1 77 77 LYS HD2 H 1 1.622 . . . . . . . . . . . 4371 1 952 . 1 1 77 77 LYS HD3 H 1 1.48 . . . . . . . . . . . 4371 1 953 . 1 1 77 77 LYS HE2 H 1 2.882 . . . . . . . . . . . 4371 1 954 . 1 1 77 77 LYS HE3 H 1 2.778 . . . . . . . . . . . 4371 1 955 . 1 1 77 77 LYS C C 13 176.849 . . . . . . . . . . . 4371 1 956 . 1 1 77 77 LYS CA C 13 53.313 . . . . . . . . . . . 4371 1 957 . 1 1 77 77 LYS CB C 13 32.687 . . . . . . . . . . . 4371 1 958 . 1 1 77 77 LYS CG C 13 23.312 . . . . . . . . . . . 4371 1 959 . 1 1 77 77 LYS CD C 13 27.999 . . . . . . . . . . . 4371 1 960 . 1 1 77 77 LYS CE C 13 42.375 . . . . . . . . . . . 4371 1 961 . 1 1 77 77 LYS N N 15 116.2 . . . . . . . . . . . 4371 1 962 . 1 1 78 78 TYR H H 1 9.61 . . . . . . . . . . . 4371 1 963 . 1 1 78 78 TYR HA H 1 4.882 . . . . . . . . . . . 4371 1 964 . 1 1 78 78 TYR HB2 H 1 2.614 . . . . . . . . . . . 4371 1 965 . 1 1 78 78 TYR HD2 H 1 7.283 . . . . . . . . . . . 4371 1 966 . 1 1 78 78 TYR HE2 H 1 6.724 . . . . . . . . . . . 4371 1 967 . 1 1 78 78 TYR HD1 H 1 6.978 . . . . . . . . . . . 4371 1 968 . 1 1 78 78 TYR HE1 H 1 6.547 . . . . . . . . . . . 4371 1 969 . 1 1 78 78 TYR C C 13 176.322 . . . . . . . . . . . 4371 1 970 . 1 1 78 78 TYR CA C 13 59.251 . . . . . . . . . . . 4371 1 971 . 1 1 78 78 TYR CB C 13 42.687 . . . . . . . . . . . 4371 1 972 . 1 1 78 78 TYR CD1 C 13 132.56 . . . . . . . . . . . 4371 1 973 . 1 1 78 78 TYR CD2 C 13 132.603 . . . . . . . . . . . 4371 1 974 . 1 1 78 78 TYR CE1 C 13 119.35 . . . . . . . . . . . 4371 1 975 . 1 1 78 78 TYR CE2 C 13 119.514 . . . . . . . . . . . 4371 1 976 . 1 1 78 78 TYR N N 15 123.037 . . . . . . . . . . . 4371 1 977 . 1 1 79 79 LYS H H 1 8.84 . . . . . . . . . . . 4371 1 978 . 1 1 79 79 LYS HA H 1 4.613 . . . . . . . . . . . 4371 1 979 . 1 1 79 79 LYS HB2 H 1 1.796 . . . . . . . . . . . 4371 1 980 . 1 1 79 79 LYS HB3 H 1 1.655 . . . . . . . . . . . 4371 1 981 . 1 1 79 79 LYS HG2 H 1 1.375 . . . . . . . . . . . 4371 1 982 . 1 1 79 79 LYS HD2 H 1 1.682 . . . . . . . . . . . 4371 1 983 . 1 1 79 79 LYS HE2 H 1 2.965 . . . . . . . . . . . 4371 1 984 . 1 1 79 79 LYS C C 13 174.739 . . . . . . . . . . . 4371 1 985 . 1 1 79 79 LYS CA C 13 54.563 . . . . . . . . . . . 4371 1 986 . 1 1 79 79 LYS CB C 13 35.187 . . . . . . . . . . . 4371 1 987 . 1 1 79 79 LYS CG C 13 24.562 . . . . . . . . . . . 4371 1 988 . 1 1 79 79 LYS CD C 13 28.937 . . . . . . . . . . . 4371 1 989 . 1 1 79 79 LYS CE C 13 41.75 . . . . . . . . . . . 4371 1 990 . 1 1 79 79 LYS N N 15 120.302 . . . . . . . . . . . 4371 1 991 . 1 1 80 80 LEU H H 1 8.425 . . . . . . . . . . . 4371 1 992 . 1 1 80 80 LEU HA H 1 5.291 . . . . . . . . . . . 4371 1 993 . 1 1 80 80 LEU HB2 H 1 1.784 . . . . . . . . . . . 4371 1 994 . 1 1 80 80 LEU HB3 H 1 1.574 . . . . . . . . . . . 4371 1 995 . 1 1 80 80 LEU HG H 1 1.355 . . . . . . . . . . . 4371 1 996 . 1 1 80 80 LEU HD11 H 1 1.024 . . . . . . . . . . . 4371 1 997 . 1 1 80 80 LEU HD12 H 1 1.024 . . . . . . . . . . . 4371 1 998 . 1 1 80 80 LEU HD13 H 1 1.024 . . . . . . . . . . . 4371 1 999 . 1 1 80 80 LEU HD21 H 1 0.931 . . . . . . . . . . . 4371 1 1000 . 1 1 80 80 LEU HD22 H 1 0.931 . . . . . . . . . . . 4371 1 1001 . 1 1 80 80 LEU HD23 H 1 0.931 . . . . . . . . . . . 4371 1 1002 . 1 1 80 80 LEU C C 13 176.556 . . . . . . . . . . . 4371 1 1003 . 1 1 80 80 LEU CA C 13 53.938 . . . . . . . . . . . 4371 1 1004 . 1 1 80 80 LEU CB C 13 43.937 . . . . . . . . . . . 4371 1 1005 . 1 1 80 80 LEU CG C 13 27.877 . . . . . . . . . . . 4371 1 1006 . 1 1 80 80 LEU CD1 C 13 26.437 . . . . . . . . . . . 4371 1 1007 . 1 1 80 80 LEU CD2 C 13 24.249 . . . . . . . . . . . 4371 1 1008 . 1 1 80 80 LEU N N 15 126.865 . . . . . . . . . . . 4371 1 1009 . 1 1 81 81 LYS H H 1 9.349 . . . . . . . . . . . 4371 1 1010 . 1 1 81 81 LYS HA H 1 4.765 . . . . . . . . . . . 4371 1 1011 . 1 1 81 81 LYS HB2 H 1 1.842 . . . . . . . . . . . 4371 1 1012 . 1 1 81 81 LYS HB3 H 1 1.749 . . . . . . . . . . . 4371 1 1013 . 1 1 81 81 LYS HG2 H 1 1.419 . . . . . . . . . . . 4371 1 1014 . 1 1 81 81 LYS HG3 H 1 1.297 . . . . . . . . . . . 4371 1 1015 . 1 1 81 81 LYS HD2 H 1 1.69 . . . . . . . . . . . 4371 1 1016 . 1 1 81 81 LYS HE2 H 1 2.951 . . . . . . . . . . . 4371 1 1017 . 1 1 81 81 LYS C C 13 175.853 . . . . . . . . . . . 4371 1 1018 . 1 1 81 81 LYS CA C 13 55.188 . . . . . . . . . . . 4371 1 1019 . 1 1 81 81 LYS CB C 13 35.5 . . . . . . . . . . . 4371 1 1020 . 1 1 81 81 LYS CG C 13 24.916 . . . . . . . . . . . 4371 1 1021 . 1 1 81 81 LYS CD C 13 29.096 . . . . . . . . . . . 4371 1 1022 . 1 1 81 81 LYS CE C 13 42.062 . . . . . . . . . . . 4371 1 1023 . 1 1 81 81 LYS N N 15 128.506 . . . . . . . . . . . 4371 1 1024 . 1 1 82 82 LYS H H 1 9.134 . . . . . . . . . . . 4371 1 1025 . 1 1 82 82 LYS HA H 1 5.209 . . . . . . . . . . . 4371 1 1026 . 1 1 82 82 LYS HB2 H 1 1.772 . . . . . . . . . . . 4371 1 1027 . 1 1 82 82 LYS HG2 H 1 1.522 . . . . . . . . . . . 4371 1 1028 . 1 1 82 82 LYS HG3 H 1 1.283 . . . . . . . . . . . 4371 1 1029 . 1 1 82 82 LYS HD2 H 1 1.53 . . . . . . . . . . . 4371 1 1030 . 1 1 82 82 LYS HD3 H 1 1.402 . . . . . . . . . . . 4371 1 1031 . 1 1 82 82 LYS HE2 H 1 2.794 . . . . . . . . . . . 4371 1 1032 . 1 1 82 82 LYS HE3 H 1 2.583 . . . . . . . . . . . 4371 1 1033 . 1 1 82 82 LYS C C 13 175.648 . . . . . . . . . . . 4371 1 1034 . 1 1 82 82 LYS CA C 13 55.927 . . . . . . . . . . . 4371 1 1035 . 1 1 82 82 LYS CB C 13 34.25 . . . . . . . . . . . 4371 1 1036 . 1 1 82 82 LYS CG C 13 25.187 . . . . . . . . . . . 4371 1 1037 . 1 1 82 82 LYS CD C 13 29.562 . . . . . . . . . . . 4371 1 1038 . 1 1 82 82 LYS CE C 13 42.062 . . . . . . . . . . . 4371 1 1039 . 1 1 82 82 LYS N N 15 129.6 . . . . . . . . . . . 4371 1 1040 . 1 1 83 83 SER H H 1 8.777 . . . . . . . . . . . 4371 1 1041 . 1 1 83 83 SER HA H 1 4.788 . . . . . . . . . . . 4371 1 1042 . 1 1 83 83 SER HB2 H 1 3.877 . . . . . . . . . . . 4371 1 1043 . 1 1 83 83 SER C C 13 172.395 . . . . . . . . . . . 4371 1 1044 . 1 1 83 83 SER CA C 13 58.313 . . . . . . . . . . . 4371 1 1045 . 1 1 83 83 SER CB C 13 66.126 . . . . . . . . . . . 4371 1 1046 . 1 1 83 83 SER N N 15 116.747 . . . . . . . . . . . 4371 1 1047 . 1 1 84 84 THR H H 1 8.361 . . . . . . . . . . . 4371 1 1048 . 1 1 84 84 THR HA H 1 5.431 . . . . . . . . . . . 4371 1 1049 . 1 1 84 84 THR HB H 1 3.935 . . . . . . . . . . . 4371 1 1050 . 1 1 84 84 THR HG21 H 1 0.931 . . . . . . . . . . . 4371 1 1051 . 1 1 84 84 THR HG22 H 1 0.931 . . . . . . . . . . . 4371 1 1052 . 1 1 84 84 THR HG23 H 1 0.931 . . . . . . . . . . . 4371 1 1053 . 1 1 84 84 THR C C 13 174.124 . . . . . . . . . . . 4371 1 1054 . 1 1 84 84 THR CA C 13 60.188 . . . . . . . . . . . 4371 1 1055 . 1 1 84 84 THR CB C 13 70.189 . . . . . . . . . . . 4371 1 1056 . 1 1 84 84 THR CG2 C 13 22.062 . . . . . . . . . . . 4371 1 1057 . 1 1 84 84 THR N N 15 115.38 . . . . . . . . . . . 4371 1 1058 . 1 1 85 85 ASN H H 1 9.085 . . . . . . . . . . . 4371 1 1059 . 1 1 85 85 ASN HA H 1 4.929 . . . . . . . . . . . 4371 1 1060 . 1 1 85 85 ASN HB2 H 1 3.035 . . . . . . . . . . . 4371 1 1061 . 1 1 85 85 ASN HB3 H 1 2.626 . . . . . . . . . . . 4371 1 1062 . 1 1 85 85 ASN HD21 H 1 7.77 . . . . . . . . . . . 4371 1 1063 . 1 1 85 85 ASN HD22 H 1 7.212 . . . . . . . . . . . 4371 1 1064 . 1 1 85 85 ASN C C 13 175.882 . . . . . . . . . . . 4371 1 1065 . 1 1 85 85 ASN CA C 13 52.063 . . . . . . . . . . . 4371 1 1066 . 1 1 85 85 ASN CB C 13 43 . . . . . . . . . . . 4371 1 1067 . 1 1 85 85 ASN ND2 N 15 111.551 . . . . . . . . . . . 4371 1 1068 . 1 1 85 85 ASN N N 15 121.396 . . . . . . . . . . . 4371 1 1069 . 1 1 86 86 LYS H H 1 9.144 . . . . . . . . . . . 4371 1 1070 . 1 1 86 86 LYS HA H 1 4.496 . . . . . . . . . . . 4371 1 1071 . 1 1 86 86 LYS HB2 H 1 1.866 . . . . . . . . . . . 4371 1 1072 . 1 1 86 86 LYS HB3 H 1 1.387 . . . . . . . . . . . 4371 1 1073 . 1 1 86 86 LYS HG2 H 1 1.367 . . . . . . . . . . . 4371 1 1074 . 1 1 86 86 LYS HG3 H 1 0.989 . . . . . . . . . . . 4371 1 1075 . 1 1 86 86 LYS HD2 H 1 1.72 . . . . . . . . . . . 4371 1 1076 . 1 1 86 86 LYS HD3 H 1 1.55 . . . . . . . . . . . 4371 1 1077 . 1 1 86 86 LYS HE2 H 1 2.824 . . . . . . . . . . . 4371 1 1078 . 1 1 86 86 LYS HE3 H 1 2.754 . . . . . . . . . . . 4371 1 1079 . 1 1 86 86 LYS C C 13 176.615 . . . . . . . . . . . 4371 1 1080 . 1 1 86 86 LYS CA C 13 56.125 . . . . . . . . . . . 4371 1 1081 . 1 1 86 86 LYS CB C 13 35.5 . . . . . . . . . . . 4371 1 1082 . 1 1 86 86 LYS CG C 13 26.124 . . . . . . . . . . . 4371 1 1083 . 1 1 86 86 LYS CD C 13 29.562 . . . . . . . . . . . 4371 1 1084 . 1 1 86 86 LYS CE C 13 42.062 . . . . . . . . . . . 4371 1 1085 . 1 1 86 86 LYS N N 15 120.302 . . . . . . . . . . . 4371 1 1086 . 1 1 87 87 PHE H H 1 7.946 . . . . . . . . . . . 4371 1 1087 . 1 1 87 87 PHE HA H 1 4.894 . . . . . . . . . . . 4371 1 1088 . 1 1 87 87 PHE HB2 H 1 3.105 . . . . . . . . . . . 4371 1 1089 . 1 1 87 87 PHE HB3 H 1 2.93 . . . . . . . . . . . 4371 1 1090 . 1 1 87 87 PHE HD1 H 1 6.771 . . . . . . . . . . . 4371 1 1091 . 1 1 87 87 PHE HE1 H 1 6.542 . . . . . . . . . . . 4371 1 1092 . 1 1 87 87 PHE HZ H 1 6.39 . . . . . . . . . . . 4371 1 1093 . 1 1 87 87 PHE C C 13 170.52 . . . . . . . . . . . 4371 1 1094 . 1 1 87 87 PHE CA C 13 56.438 . . . . . . . . . . . 4371 1 1095 . 1 1 87 87 PHE CB C 13 41.125 . . . . . . . . . . . 4371 1 1096 . 1 1 87 87 PHE CD1 C 13 131.91 . . . . . . . . . . . 4371 1 1097 . 1 1 87 87 PHE CE1 C 13 130.553 . . . . . . . . . . . 4371 1 1098 . 1 1 87 87 PHE CZ C 13 129.701 . . . . . . . . . . . 4371 1 1099 . 1 1 87 87 PHE N N 15 113.739 . . . . . . . . . . . 4371 1 1100 . 1 1 88 88 CYS H H 1 8.924 . . . . . . . . . . . 4371 1 1101 . 1 1 88 88 CYS HA H 1 5.688 . . . . . . . . . . . 4371 1 1102 . 1 1 88 88 CYS HB2 H 1 3.14 . . . . . . . . . . . 4371 1 1103 . 1 1 88 88 CYS HB3 H 1 2.135 . . . . . . . . . . . 4371 1 1104 . 1 1 88 88 CYS C C 13 173.831 . . . . . . . . . . . 4371 1 1105 . 1 1 88 88 CYS CA C 13 53.938 . . . . . . . . . . . 4371 1 1106 . 1 1 88 88 CYS CB C 13 48.938 . . . . . . . . . . . 4371 1 1107 . 1 1 88 88 CYS N N 15 120.302 . . . . . . . . . . . 4371 1 1108 . 1 1 89 89 VAL H H 1 8.772 . . . . . . . . . . . 4371 1 1109 . 1 1 89 89 VAL HA H 1 4.975 . . . . . . . . . . . 4371 1 1110 . 1 1 89 89 VAL HB H 1 2.018 . . . . . . . . . . . 4371 1 1111 . 1 1 89 89 VAL HG11 H 1 1.012 . . . . . . . . . . . 4371 1 1112 . 1 1 89 89 VAL HG12 H 1 1.012 . . . . . . . . . . . 4371 1 1113 . 1 1 89 89 VAL HG13 H 1 1.012 . . . . . . . . . . . 4371 1 1114 . 1 1 89 89 VAL HG21 H 1 0.685 . . . . . . . . . . . 4371 1 1115 . 1 1 89 89 VAL HG22 H 1 0.685 . . . . . . . . . . . 4371 1 1116 . 1 1 89 89 VAL HG23 H 1 0.685 . . . . . . . . . . . 4371 1 1117 . 1 1 89 89 VAL C C 13 173.597 . . . . . . . . . . . 4371 1 1118 . 1 1 89 89 VAL CA C 13 58.001 . . . . . . . . . . . 4371 1 1119 . 1 1 89 89 VAL CB C 13 35.812 . . . . . . . . . . . 4371 1 1120 . 1 1 89 89 VAL CG1 C 13 23.312 . . . . . . . . . . . 4371 1 1121 . 1 1 89 89 VAL CG2 C 13 18.624 . . . . . . . . . . . 4371 1 1122 . 1 1 89 89 VAL N N 15 121.122 . . . . . . . . . . . 4371 1 1123 . 1 1 90 90 THR H H 1 8.591 . . . . . . . . . . . 4371 1 1124 . 1 1 90 90 THR HA H 1 4.905 . . . . . . . . . . . 4371 1 1125 . 1 1 90 90 THR HB H 1 3.783 . . . . . . . . . . . 4371 1 1126 . 1 1 90 90 THR HG21 H 1 1.048 . . . . . . . . . . . 4371 1 1127 . 1 1 90 90 THR HG22 H 1 1.048 . . . . . . . . . . . 4371 1 1128 . 1 1 90 90 THR HG23 H 1 1.048 . . . . . . . . . . . 4371 1 1129 . 1 1 90 90 THR C C 13 174.71 . . . . . . . . . . . 4371 1 1130 . 1 1 90 90 THR CA C 13 62.376 . . . . . . . . . . . 4371 1 1131 . 1 1 90 90 THR CB C 13 69.564 . . . . . . . . . . . 4371 1 1132 . 1 1 90 90 THR CG2 C 13 22.999 . . . . . . . . . . . 4371 1 1133 . 1 1 90 90 THR N N 15 117.841 . . . . . . . . . . . 4371 1 1134 . 1 1 91 91 CYS H H 1 9.188 . . . . . . . . . . . 4371 1 1135 . 1 1 91 91 CYS HA H 1 5.104 . . . . . . . . . . . 4371 1 1136 . 1 1 91 91 CYS HB2 H 1 2.731 . . . . . . . . . . . 4371 1 1137 . 1 1 91 91 CYS HB3 H 1 2.532 . . . . . . . . . . . 4371 1 1138 . 1 1 91 91 CYS C C 13 173.362 . . . . . . . . . . . 4371 1 1139 . 1 1 91 91 CYS CA C 13 52.375 . . . . . . . . . . . 4371 1 1140 . 1 1 91 91 CYS CB C 13 38.625 . . . . . . . . . . . 4371 1 1141 . 1 1 91 91 CYS N N 15 127.139 . . . . . . . . . . . 4371 1 1142 . 1 1 92 92 GLU H H 1 8.728 . . . . . . . . . . . 4371 1 1143 . 1 1 92 92 GLU HA H 1 4.134 . . . . . . . . . . . 4371 1 1144 . 1 1 92 92 GLU HB2 H 1 1.924 . . . . . . . . . . . 4371 1 1145 . 1 1 92 92 GLU HB3 H 1 1.889 . . . . . . . . . . . 4371 1 1146 . 1 1 92 92 GLU HG2 H 1 2.286 . . . . . . . . . . . 4371 1 1147 . 1 1 92 92 GLU HG3 H 1 2.205 . . . . . . . . . . . 4371 1 1148 . 1 1 92 92 GLU C C 13 175.824 . . . . . . . . . . . 4371 1 1149 . 1 1 92 92 GLU CA C 13 56.438 . . . . . . . . . . . 4371 1 1150 . 1 1 92 92 GLU CB C 13 32.687 . . . . . . . . . . . 4371 1 1151 . 1 1 92 92 GLU CG C 13 35.187 . . . . . . . . . . . 4371 1 1152 . 1 1 92 92 GLU N N 15 118.388 . . . . . . . . . . . 4371 1 1153 . 1 1 93 93 ASN H H 1 10.273 . . . . . . . . . . . 4371 1 1154 . 1 1 93 93 ASN HA H 1 4.297 . . . . . . . . . . . 4371 1 1155 . 1 1 93 93 ASN HB2 H 1 3.047 . . . . . . . . . . . 4371 1 1156 . 1 1 93 93 ASN HB3 H 1 2.685 . . . . . . . . . . . 4371 1 1157 . 1 1 93 93 ASN HD21 H 1 7.591 . . . . . . . . . . . 4371 1 1158 . 1 1 93 93 ASN HD22 H 1 6.836 . . . . . . . . . . . 4371 1 1159 . 1 1 93 93 ASN C C 13 174.271 . . . . . . . . . . . 4371 1 1160 . 1 1 93 93 ASN CA C 13 54.875 . . . . . . . . . . . 4371 1 1161 . 1 1 93 93 ASN CB C 13 37.062 . . . . . . . . . . . 4371 1 1162 . 1 1 93 93 ASN ND2 N 15 112.645 . . . . . . . . . . . 4371 1 1163 . 1 1 93 93 ASN N N 15 126.592 . . . . . . . . . . . 4371 1 1164 . 1 1 94 94 GLN H H 1 8.811 . . . . . . . . . . . 4371 1 1165 . 1 1 94 94 GLN HA H 1 3.993 . . . . . . . . . . . 4371 1 1166 . 1 1 94 94 GLN HB2 H 1 2.181 . . . . . . . . . . . 4371 1 1167 . 1 1 94 94 GLN HB3 H 1 1.991 . . . . . . . . . . . 4371 1 1168 . 1 1 94 94 GLN HG2 H 1 1.994 . . . . . . . . . . . 4371 1 1169 . 1 1 94 94 GLN HG3 H 1 1.609 . . . . . . . . . . . 4371 1 1170 . 1 1 94 94 GLN HE21 H 1 7.662 . . . . . . . . . . . 4371 1 1171 . 1 1 94 94 GLN HE22 H 1 6.933 . . . . . . . . . . . 4371 1 1172 . 1 1 94 94 GLN C C 13 174.007 . . . . . . . . . . . 4371 1 1173 . 1 1 94 94 GLN CA C 13 57.063 . . . . . . . . . . . 4371 1 1174 . 1 1 94 94 GLN CB C 13 27.374 . . . . . . . . . . . 4371 1 1175 . 1 1 94 94 GLN CG C 13 35.812 . . . . . . . . . . . 4371 1 1176 . 1 1 94 94 GLN NE2 N 15 113.465 . . . . . . . . . . . 4371 1 1177 . 1 1 94 94 GLN N N 15 105.261 . . . . . . . . . . . 4371 1 1178 . 1 1 95 95 ALA H H 1 7.559 . . . . . . . . . . . 4371 1 1179 . 1 1 95 95 ALA HA H 1 4.368 . . . . . . . . . . . 4371 1 1180 . 1 1 95 95 ALA HB1 H 1 0.861 . . . . . . . . . . . 4371 1 1181 . 1 1 95 95 ALA HB2 H 1 0.861 . . . . . . . . . . . 4371 1 1182 . 1 1 95 95 ALA HB3 H 1 0.861 . . . . . . . . . . . 4371 1 1183 . 1 1 95 95 ALA C C 13 173.01 . . . . . . . . . . . 4371 1 1184 . 1 1 95 95 ALA CA C 13 49.563 . . . . . . . . . . . 4371 1 1185 . 1 1 95 95 ALA CB C 13 20.811 . . . . . . . . . . . 4371 1 1186 . 1 1 95 95 ALA N N 15 118.935 . . . . . . . . . . . 4371 1 1187 . 1 1 96 96 PRO HA H 1 4.555 . . . . . . . . . . . 4371 1 1188 . 1 1 96 96 PRO HB2 H 1 1.176 . . . . . . . . . . . 4371 1 1189 . 1 1 96 96 PRO HB3 H 1 0.592 . . . . . . . . . . . 4371 1 1190 . 1 1 96 96 PRO HG2 H 1 1.632 . . . . . . . . . . . 4371 1 1191 . 1 1 96 96 PRO HG3 H 1 1.597 . . . . . . . . . . . 4371 1 1192 . 1 1 96 96 PRO HD2 H 1 3.152 . . . . . . . . . . . 4371 1 1193 . 1 1 96 96 PRO HD3 H 1 2.918 . . . . . . . . . . . 4371 1 1194 . 1 1 96 96 PRO C C 13 176.087 . . . . . . . . . . . 4371 1 1195 . 1 1 96 96 PRO CA C 13 62.376 . . . . . . . . . . . 4371 1 1196 . 1 1 96 96 PRO CB C 13 30.187 . . . . . . . . . . . 4371 1 1197 . 1 1 96 96 PRO CG C 13 27.687 . . . . . . . . . . . 4371 1 1198 . 1 1 96 96 PRO CD C 13 50.5 . . . . . . . . . . . 4371 1 1199 . 1 1 97 97 VAL H H 1 8.474 . . . . . . . . . . . 4371 1 1200 . 1 1 97 97 VAL HA H 1 4.613 . . . . . . . . . . . 4371 1 1201 . 1 1 97 97 VAL HB H 1 2.14 . . . . . . . . . . . 4371 1 1202 . 1 1 97 97 VAL HG11 H 1 0.977 . . . . . . . . . . . 4371 1 1203 . 1 1 97 97 VAL HG12 H 1 0.977 . . . . . . . . . . . 4371 1 1204 . 1 1 97 97 VAL HG13 H 1 0.977 . . . . . . . . . . . 4371 1 1205 . 1 1 97 97 VAL HG21 H 1 0.673 . . . . . . . . . . . 4371 1 1206 . 1 1 97 97 VAL HG22 H 1 0.673 . . . . . . . . . . . 4371 1 1207 . 1 1 97 97 VAL HG23 H 1 0.673 . . . . . . . . . . . 4371 1 1208 . 1 1 97 97 VAL C C 13 176.439 . . . . . . . . . . . 4371 1 1209 . 1 1 97 97 VAL CA C 13 60.188 . . . . . . . . . . . 4371 1 1210 . 1 1 97 97 VAL CB C 13 33.312 . . . . . . . . . . . 4371 1 1211 . 1 1 97 97 VAL CG1 C 13 22.062 . . . . . . . . . . . 4371 1 1212 . 1 1 97 97 VAL CG2 C 13 17.999 . . . . . . . . . . . 4371 1 1213 . 1 1 97 97 VAL N N 15 108.816 . . . . . . . . . . . 4371 1 1214 . 1 1 98 98 HIS H H 1 7.31 . . . . . . . . . . . 4371 1 1215 . 1 1 98 98 HIS HA H 1 5.595 . . . . . . . . . . . 4371 1 1216 . 1 1 98 98 HIS HB2 H 1 3.35 . . . . . . . . . . . 4371 1 1217 . 1 1 98 98 HIS HB3 H 1 2.883 . . . . . . . . . . . 4371 1 1218 . 1 1 98 98 HIS HD2 H 1 7.11 . . . . . . . . . . . 4371 1 1219 . 1 1 98 98 HIS HE1 H 1 8.625 . . . . . . . . . . . 4371 1 1220 . 1 1 98 98 HIS C C 13 172.864 . . . . . . . . . . . 4371 1 1221 . 1 1 98 98 HIS CA C 13 54.25 . . . . . . . . . . . 4371 1 1222 . 1 1 98 98 HIS CB C 13 31.749 . . . . . . . . . . . 4371 1 1223 . 1 1 98 98 HIS CD2 C 13 121.674 . . . . . . . . . . . 4371 1 1224 . 1 1 98 98 HIS CE1 C 13 136.667 . . . . . . . . . . . 4371 1 1225 . 1 1 98 98 HIS N N 15 117.841 . . . . . . . . . . . 4371 1 1226 . 1 1 99 99 PHE H H 1 9.877 . . . . . . . . . . . 4371 1 1227 . 1 1 99 99 PHE HA H 1 4.274 . . . . . . . . . . . 4371 1 1228 . 1 1 99 99 PHE HB2 H 1 2.793 . . . . . . . . . . . 4371 1 1229 . 1 1 99 99 PHE HB3 H 1 1.562 . . . . . . . . . . . 4371 1 1230 . 1 1 99 99 PHE HD1 H 1 6.543 . . . . . . . . . . . 4371 1 1231 . 1 1 99 99 PHE HE1 H 1 6.633 . . . . . . . . . . . 4371 1 1232 . 1 1 99 99 PHE HZ H 1 6.763 . . . . . . . . . . . 4371 1 1233 . 1 1 99 99 PHE C C 13 173.245 . . . . . . . . . . . 4371 1 1234 . 1 1 99 99 PHE CA C 13 58.626 . . . . . . . . . . . 4371 1 1235 . 1 1 99 99 PHE CB C 13 39.25 . . . . . . . . . . . 4371 1 1236 . 1 1 99 99 PHE CD1 C 13 130.324 . . . . . . . . . . . 4371 1 1237 . 1 1 99 99 PHE CE1 C 13 129.672 . . . . . . . . . . . 4371 1 1238 . 1 1 99 99 PHE CZ C 13 129.652 . . . . . . . . . . . 4371 1 1239 . 1 1 99 99 PHE N N 15 132.061 . . . . . . . . . . . 4371 1 1240 . 1 1 100 100 VAL H H 1 8.029 . . . . . . . . . . . 4371 1 1241 . 1 1 100 100 VAL HA H 1 3.584 . . . . . . . . . . . 4371 1 1242 . 1 1 100 100 VAL HB H 1 1.118 . . . . . . . . . . . 4371 1 1243 . 1 1 100 100 VAL HG11 H 1 0.837 . . . . . . . . . . . 4371 1 1244 . 1 1 100 100 VAL HG12 H 1 0.837 . . . . . . . . . . . 4371 1 1245 . 1 1 100 100 VAL HG13 H 1 0.837 . . . . . . . . . . . 4371 1 1246 . 1 1 100 100 VAL HG21 H 1 0.662 . . . . . . . . . . . 4371 1 1247 . 1 1 100 100 VAL HG22 H 1 0.662 . . . . . . . . . . . 4371 1 1248 . 1 1 100 100 VAL HG23 H 1 0.662 . . . . . . . . . . . 4371 1 1249 . 1 1 100 100 VAL C C 13 176.058 . . . . . . . . . . . 4371 1 1250 . 1 1 100 100 VAL CA C 13 64.563 . . . . . . . . . . . 4371 1 1251 . 1 1 100 100 VAL CB C 13 32.687 . . . . . . . . . . . 4371 1 1252 . 1 1 100 100 VAL CG1 C 13 20.499 . . . . . . . . . . . 4371 1 1253 . 1 1 100 100 VAL CG2 C 13 22.374 . . . . . . . . . . . 4371 1 1254 . 1 1 100 100 VAL N N 15 129.053 . . . . . . . . . . . 4371 1 1255 . 1 1 101 101 GLY H H 1 6.601 . . . . . . . . . . . 4371 1 1256 . 1 1 101 101 GLY HA2 H 1 4.321 . . . . . . . . . . . 4371 1 1257 . 1 1 101 101 GLY HA3 H 1 4.052 . . . . . . . . . . . 4371 1 1258 . 1 1 101 101 GLY C C 13 170.754 . . . . . . . . . . . 4371 1 1259 . 1 1 101 101 GLY CA C 13 45.5 . . . . . . . . . . . 4371 1 1260 . 1 1 101 101 GLY N N 15 102.8 . . . . . . . . . . . 4371 1 1261 . 1 1 102 102 VAL H H 1 8.645 . . . . . . . . . . . 4371 1 1262 . 1 1 102 102 VAL HA H 1 4.192 . . . . . . . . . . . 4371 1 1263 . 1 1 102 102 VAL HB H 1 2.065 . . . . . . . . . . . 4371 1 1264 . 1 1 102 102 VAL HG11 H 1 1.188 . . . . . . . . . . . 4371 1 1265 . 1 1 102 102 VAL HG12 H 1 1.188 . . . . . . . . . . . 4371 1 1266 . 1 1 102 102 VAL HG13 H 1 1.188 . . . . . . . . . . . 4371 1 1267 . 1 1 102 102 VAL HG21 H 1 1.036 . . . . . . . . . . . 4371 1 1268 . 1 1 102 102 VAL HG22 H 1 1.036 . . . . . . . . . . . 4371 1 1269 . 1 1 102 102 VAL HG23 H 1 1.036 . . . . . . . . . . . 4371 1 1270 . 1 1 102 102 VAL C C 13 177.67 . . . . . . . . . . . 4371 1 1271 . 1 1 102 102 VAL CA C 13 62.688 . . . . . . . . . . . 4371 1 1272 . 1 1 102 102 VAL CB C 13 33.312 . . . . . . . . . . . 4371 1 1273 . 1 1 102 102 VAL CG1 C 13 22.374 . . . . . . . . . . . 4371 1 1274 . 1 1 102 102 VAL CG2 C 13 22.062 . . . . . . . . . . . 4371 1 1275 . 1 1 102 102 VAL N N 15 118.661 . . . . . . . . . . . 4371 1 1276 . 1 1 103 103 GLY H H 1 8.669 . . . . . . . . . . . 4371 1 1277 . 1 1 103 103 GLY HA2 H 1 4.344 . . . . . . . . . . . 4371 1 1278 . 1 1 103 103 GLY HA3 H 1 3.292 . . . . . . . . . . . 4371 1 1279 . 1 1 103 103 GLY C C 13 172.6 . . . . . . . . . . . 4371 1 1280 . 1 1 103 103 GLY CA C 13 46.438 . . . . . . . . . . . 4371 1 1281 . 1 1 103 103 GLY N N 15 115.38 . . . . . . . . . . . 4371 1 1282 . 1 1 104 104 SER H H 1 7.242 . . . . . . . . . . . 4371 1 1283 . 1 1 104 104 SER HA H 1 4.297 . . . . . . . . . . . 4371 1 1284 . 1 1 104 104 SER HB2 H 1 3.806 . . . . . . . . . . . 4371 1 1285 . 1 1 104 104 SER HB3 H 1 3.584 . . . . . . . . . . . 4371 1 1286 . 1 1 104 104 SER C C 13 173.128 . . . . . . . . . . . 4371 1 1287 . 1 1 104 104 SER CA C 13 57.688 . . . . . . . . . . . 4371 1 1288 . 1 1 104 104 SER CB C 13 65.188 . . . . . . . . . . . 4371 1 1289 . 1 1 104 104 SER N N 15 111.824 . . . . . . . . . . . 4371 1 1290 . 1 1 105 105 CYS H H 1 8.351 . . . . . . . . . . . 4371 1 1291 . 1 1 105 105 CYS HA H 1 4.438 . . . . . . . . . . . 4371 1 1292 . 1 1 105 105 CYS HB2 H 1 3.199 . . . . . . . . . . . 4371 1 1293 . 1 1 105 105 CYS HB3 H 1 2.661 . . . . . . . . . . . 4371 1 1294 . 1 1 105 105 CYS C C 13 179.13 . . . . . . . . . . . 4371 1 1295 . 1 1 105 105 CYS CA C 13 55.5 . . . . . . . . . . . 4371 1 1296 . 1 1 105 105 CYS CB C 13 41.75 . . . . . . . . . . . 4371 1 1297 . 1 1 105 105 CYS N N 15 123.857 . . . . . . . . . . . 4371 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 4371 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_set_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_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 $sample_1 . 4371 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN HE21 H 1 7.532 0.000 . 1 . . . . . . . . 4371 2 2 . 1 1 2 2 GLN HE22 H 1 6.827 0.000 . 1 . . . . . . . . 4371 2 3 . 1 1 2 2 GLN NE2 N 15 111.930 0.012 . 2 . . . . . . . . 4371 2 4 . 1 1 3 3 ASP H H 1 8.104 0.000 . 1 . . . . . . . . 4371 2 5 . 1 1 3 3 ASP N N 15 120.214 0.000 . 1 . . . . . . . . 4371 2 6 . 1 1 4 4 TRP HE1 H 1 10.303 0.000 . 1 . . . . . . . . 4371 2 7 . 1 1 4 4 TRP H H 1 8.741 0.000 . 1 . . . . . . . . 4371 2 8 . 1 1 4 4 TRP N N 15 123.346 0.000 . 1 . . . . . . . . 4371 2 9 . 1 1 4 4 TRP NE1 N 15 129.986 0.000 . 1 . . . . . . . . 4371 2 10 . 1 1 5 5 LEU H H 1 8.069 0.000 . 1 . . . . . . . . 4371 2 11 . 1 1 5 5 LEU N N 15 120.887 0.000 . 1 . . . . . . . . 4371 2 12 . 1 1 6 6 THR H H 1 8.588 0.000 . 1 . . . . . . . . 4371 2 13 . 1 1 6 6 THR N N 15 116.876 0.000 . 1 . . . . . . . . 4371 2 14 . 1 1 7 7 PHE H H 1 8.516 0.000 . 1 . . . . . . . . 4371 2 15 . 1 1 7 7 PHE N N 15 123.730 0.000 . 1 . . . . . . . . 4371 2 16 . 1 1 8 8 GLN HE21 H 1 6.555 0.000 . 1 . . . . . . . . 4371 2 17 . 1 1 8 8 GLN H H 1 8.215 0.000 . 1 . . . . . . . . 4371 2 18 . 1 1 8 8 GLN N N 15 117.254 0.000 . 1 . . . . . . . . 4371 2 19 . 1 1 8 8 GLN NE2 N 15 107.729 0.000 . 1 . . . . . . . . 4371 2 20 . 1 1 9 9 LYS H H 1 7.438 0.000 . 1 . . . . . . . . 4371 2 21 . 1 1 9 9 LYS N N 15 117.686 0.000 . 1 . . . . . . . . 4371 2 22 . 1 1 10 10 LYS H H 1 7.922 0.000 . 1 . . . . . . . . 4371 2 23 . 1 1 10 10 LYS N N 15 114.892 0.000 . 1 . . . . . . . . 4371 2 24 . 1 1 11 11 HIS H H 1 7.745 0.000 . 1 . . . . . . . . 4371 2 25 . 1 1 11 11 HIS N N 15 107.603 0.000 . 1 . . . . . . . . 4371 2 26 . 1 1 12 12 ILE H H 1 8.127 0.000 . 1 . . . . . . . . 4371 2 27 . 1 1 12 12 ILE N N 15 121.339 0.000 . 1 . . . . . . . . 4371 2 28 . 1 1 13 13 THR H H 1 8.622 0.000 . 1 . . . . . . . . 4371 2 29 . 1 1 13 13 THR N N 15 120.531 0.000 . 1 . . . . . . . . 4371 2 30 . 1 1 14 14 ASN HD21 H 1 7.491 0.000 . 1 . . . . . . . . 4371 2 31 . 1 1 14 14 ASN HD22 H 1 6.765 0.000 . 1 . . . . . . . . 4371 2 32 . 1 1 14 14 ASN H H 1 8.256 0.000 . 1 . . . . . . . . 4371 2 33 . 1 1 14 14 ASN N N 15 123.179 0.000 . 1 . . . . . . . . 4371 2 34 . 1 1 14 14 ASN ND2 N 15 111.354 0.002 . 2 . . . . . . . . 4371 2 35 . 1 1 15 15 THR H H 1 7.951 0.000 . 1 . . . . . . . . 4371 2 36 . 1 1 15 15 THR N N 15 113.806 0.000 . 1 . . . . . . . . 4371 2 37 . 1 1 17 17 ASP H H 1 7.855 0.000 . 1 . . . . . . . . 4371 2 38 . 1 1 17 17 ASP N N 15 122.000 0.000 . 1 . . . . . . . . 4371 2 39 . 1 1 18 18 VAL H H 1 6.520 0.000 . 1 . . . . . . . . 4371 2 40 . 1 1 18 18 VAL N N 15 120.986 0.000 . 1 . . . . . . . . 4371 2 41 . 1 1 19 19 ASP H H 1 8.476 0.000 . 1 . . . . . . . . 4371 2 42 . 1 1 19 19 ASP N N 15 126.865 0.000 . 1 . . . . . . . . 4371 2 43 . 1 1 20 20 CYS H H 1 7.826 0.000 . 1 . . . . . . . . 4371 2 44 . 1 1 20 20 CYS N N 15 120.875 0.000 . 1 . . . . . . . . 4371 2 45 . 1 1 21 21 ASP H H 1 8.651 0.000 . 1 . . . . . . . . 4371 2 46 . 1 1 21 21 ASP N N 15 118.350 0.000 . 1 . . . . . . . . 4371 2 47 . 1 1 22 22 ASN HD21 H 1 8.428 0.000 . 1 . . . . . . . . 4371 2 48 . 1 1 22 22 ASN HD22 H 1 6.791 0.000 . 1 . . . . . . . . 4371 2 49 . 1 1 22 22 ASN H H 1 7.134 0.000 . 1 . . . . . . . . 4371 2 50 . 1 1 22 22 ASN N N 15 114.637 0.000 . 1 . . . . . . . . 4371 2 51 . 1 1 22 22 ASN ND2 N 15 115.892 0.011 . 2 . . . . . . . . 4371 2 52 . 1 1 23 23 ILE H H 1 7.762 0.000 . 1 . . . . . . . . 4371 2 53 . 1 1 23 23 ILE N N 15 119.061 0.000 . 1 . . . . . . . . 4371 2 54 . 1 1 24 24 LEU H H 1 8.429 0.000 . 1 . . . . . . . . 4371 2 55 . 1 1 24 24 LEU N N 15 121.319 0.000 . 1 . . . . . . . . 4371 2 56 . 1 1 25 25 SER H H 1 7.014 0.000 . 1 . . . . . . . . 4371 2 57 . 1 1 25 25 SER N N 15 109.174 0.000 . 1 . . . . . . . . 4371 2 58 . 1 1 26 26 THR H H 1 7.439 0.000 . 1 . . . . . . . . 4371 2 59 . 1 1 26 26 THR N N 15 112.296 0.000 . 1 . . . . . . . . 4371 2 60 . 1 1 27 27 ASN HD22 H 1 6.866 0.000 . 1 . . . . . . . . 4371 2 61 . 1 1 27 27 ASN ND2 N 15 112.049 0.000 . 1 . . . . . . . . 4371 2 62 . 1 1 28 28 LEU H H 1 7.279 0.000 . 1 . . . . . . . . 4371 2 63 . 1 1 28 28 LEU N N 15 117.439 0.000 . 1 . . . . . . . . 4371 2 64 . 1 1 29 29 PHE H H 1 6.984 0.000 . 1 . . . . . . . . 4371 2 65 . 1 1 29 29 PHE N N 15 112.358 0.000 . 1 . . . . . . . . 4371 2 66 . 1 1 30 30 HIS H H 1 8.847 0.000 . 1 . . . . . . . . 4371 2 67 . 1 1 30 30 HIS N N 15 114.949 0.000 . 1 . . . . . . . . 4371 2 68 . 1 1 31 31 CYS H H 1 9.094 0.000 . 1 . . . . . . . . 4371 2 69 . 1 1 31 31 CYS N N 15 109.724 0.000 . 1 . . . . . . . . 4371 2 70 . 1 1 32 32 LYS H H 1 6.995 0.000 . 1 . . . . . . . . 4371 2 71 . 1 1 32 32 LYS N N 15 117.185 0.000 . 1 . . . . . . . . 4371 2 72 . 1 1 33 33 ASP H H 1 8.537 0.000 . 1 . . . . . . . . 4371 2 73 . 1 1 33 33 ASP N N 15 121.710 0.000 . 1 . . . . . . . . 4371 2 74 . 1 1 34 34 LYS H H 1 7.487 0.000 . 1 . . . . . . . . 4371 2 75 . 1 1 34 34 LYS N N 15 114.898 0.000 . 1 . . . . . . . . 4371 2 76 . 1 1 35 35 ASN HD21 H 1 6.133 0.000 . 1 . . . . . . . . 4371 2 77 . 1 1 35 35 ASN HD22 H 1 3.600 0.000 . 1 . . . . . . . . 4371 2 78 . 1 1 35 35 ASN H H 1 8.050 0.000 . 1 . . . . . . . . 4371 2 79 . 1 1 35 35 ASN N N 15 116.930 0.000 . 1 . . . . . . . . 4371 2 80 . 1 1 35 35 ASN ND2 N 15 114.363 0.486 . 2 . . . . . . . . 4371 2 81 . 1 1 36 36 THR H H 1 7.864 0.000 . 1 . . . . . . . . 4371 2 82 . 1 1 36 36 THR N N 15 123.657 0.000 . 1 . . . . . . . . 4371 2 83 . 1 1 37 37 PHE H H 1 9.136 0.000 . 1 . . . . . . . . 4371 2 84 . 1 1 37 37 PHE N N 15 124.247 0.000 . 1 . . . . . . . . 4371 2 85 . 1 1 38 38 ILE H H 1 9.436 0.000 . 1 . . . . . . . . 4371 2 86 . 1 1 38 38 ILE N N 15 122.940 0.000 . 1 . . . . . . . . 4371 2 87 . 1 1 39 39 TYR H H 1 8.955 0.000 . 1 . . . . . . . . 4371 2 88 . 1 1 39 39 TYR N N 15 129.424 0.000 . 1 . . . . . . . . 4371 2 89 . 1 1 40 40 SER H H 1 7.699 0.000 . 1 . . . . . . . . 4371 2 90 . 1 1 40 40 SER N N 15 121.130 0.000 . 1 . . . . . . . . 4371 2 91 . 1 1 41 41 ARG H H 1 8.383 0.000 . 1 . . . . . . . . 4371 2 92 . 1 1 41 41 ARG N N 15 123.429 0.000 . 1 . . . . . . . . 4371 2 93 . 1 1 43 43 GLU H H 1 9.402 0.000 . 1 . . . . . . . . 4371 2 94 . 1 1 43 43 GLU N N 15 118.562 0.000 . 1 . . . . . . . . 4371 2 95 . 1 1 45 45 VAL H H 1 6.880 0.000 . 1 . . . . . . . . 4371 2 96 . 1 1 45 45 VAL N N 15 116.033 0.000 . 1 . . . . . . . . 4371 2 97 . 1 1 46 46 LYS H H 1 8.429 0.000 . 1 . . . . . . . . 4371 2 98 . 1 1 46 46 LYS N N 15 121.319 0.000 . 1 . . . . . . . . 4371 2 99 . 1 1 47 47 ALA H H 1 7.685 0.000 . 1 . . . . . . . . 4371 2 100 . 1 1 47 47 ALA N N 15 115.913 0.000 . 1 . . . . . . . . 4371 2 101 . 1 1 48 48 ILE H H 1 7.392 0.000 . 1 . . . . . . . . 4371 2 102 . 1 1 48 48 ILE N N 15 119.609 0.000 . 1 . . . . . . . . 4371 2 103 . 1 1 49 49 CYS H H 1 7.104 0.000 . 1 . . . . . . . . 4371 2 104 . 1 1 49 49 CYS N N 15 111.839 0.000 . 1 . . . . . . . . 4371 2 105 . 1 1 50 50 LYS H H 1 7.263 0.000 . 1 . . . . . . . . 4371 2 106 . 1 1 50 50 LYS N N 15 123.925 0.000 . 1 . . . . . . . . 4371 2 107 . 1 1 51 51 GLY H H 1 9.126 0.000 . 1 . . . . . . . . 4371 2 108 . 1 1 51 51 GLY N N 15 114.078 0.000 . 1 . . . . . . . . 4371 2 109 . 1 1 52 52 ILE H H 1 7.802 0.000 . 1 . . . . . . . . 4371 2 110 . 1 1 52 52 ILE N N 15 122.496 0.000 . 1 . . . . . . . . 4371 2 111 . 1 1 53 53 ILE H H 1 8.182 0.000 . 1 . . . . . . . . 4371 2 112 . 1 1 53 53 ILE N N 15 128.019 0.000 . 1 . . . . . . . . 4371 2 113 . 1 1 54 54 ALA H H 1 7.690 0.000 . 1 . . . . . . . . 4371 2 114 . 1 1 54 54 ALA N N 15 123.580 0.000 . 1 . . . . . . . . 4371 2 115 . 1 1 55 55 SER H H 1 7.940 0.000 . 1 . . . . . . . . 4371 2 116 . 1 1 55 55 SER N N 15 112.726 0.000 . 1 . . . . . . . . 4371 2 117 . 1 1 56 56 LYS H H 1 8.390 0.000 . 1 . . . . . . . . 4371 2 118 . 1 1 56 56 LYS N N 15 125.920 0.000 . 1 . . . . . . . . 4371 2 119 . 1 1 57 57 ASN HD21 H 1 7.641 0.000 . 1 . . . . . . . . 4371 2 120 . 1 1 57 57 ASN HD22 H 1 6.987 0.000 . 1 . . . . . . . . 4371 2 121 . 1 1 57 57 ASN H H 1 8.607 0.000 . 1 . . . . . . . . 4371 2 122 . 1 1 57 57 ASN N N 15 126.155 0.000 . 1 . . . . . . . . 4371 2 123 . 1 1 57 57 ASN ND2 N 15 111.726 0.033 . 2 . . . . . . . . 4371 2 124 . 1 1 58 58 VAL H H 1 9.367 0.000 . 1 . . . . . . . . 4371 2 125 . 1 1 58 58 VAL N N 15 125.187 0.000 . 1 . . . . . . . . 4371 2 126 . 1 1 59 59 LEU H H 1 8.013 0.000 . 1 . . . . . . . . 4371 2 127 . 1 1 59 59 LEU N N 15 127.697 0.000 . 1 . . . . . . . . 4371 2 128 . 1 1 60 60 THR H H 1 8.636 0.000 . 1 . . . . . . . . 4371 2 129 . 1 1 60 60 THR N N 15 118.486 0.000 . 1 . . . . . . . . 4371 2 130 . 1 1 61 61 THR H H 1 8.446 0.000 . 1 . . . . . . . . 4371 2 131 . 1 1 61 61 THR N N 15 111.545 0.000 . 1 . . . . . . . . 4371 2 132 . 1 1 62 62 SER H H 1 7.531 0.000 . 1 . . . . . . . . 4371 2 133 . 1 1 62 62 SER N N 15 114.367 0.000 . 1 . . . . . . . . 4371 2 134 . 1 1 63 63 GLU H H 1 8.357 0.000 . 1 . . . . . . . . 4371 2 135 . 1 1 63 63 GLU N N 15 119.490 0.000 . 1 . . . . . . . . 4371 2 136 . 1 1 64 64 PHE H H 1 8.563 0.000 . 1 . . . . . . . . 4371 2 137 . 1 1 64 64 PHE N N 15 121.376 0.000 . 1 . . . . . . . . 4371 2 138 . 1 1 65 65 TYR H H 1 9.644 0.000 . 1 . . . . . . . . 4371 2 139 . 1 1 65 65 TYR N N 15 119.594 0.000 . 1 . . . . . . . . 4371 2 140 . 1 1 66 66 LEU H H 1 9.264 0.000 . 1 . . . . . . . . 4371 2 141 . 1 1 66 66 LEU N N 15 126.180 0.000 . 1 . . . . . . . . 4371 2 142 . 1 1 67 67 SER H H 1 9.399 0.000 . 1 . . . . . . . . 4371 2 143 . 1 1 67 67 SER N N 15 121.111 0.000 . 1 . . . . . . . . 4371 2 144 . 1 1 68 68 ASP H H 1 9.366 0.000 . 1 . . . . . . . . 4371 2 145 . 1 1 68 68 ASP N N 15 126.067 0.000 . 1 . . . . . . . . 4371 2 146 . 1 1 69 69 CYS H H 1 8.461 0.000 . 1 . . . . . . . . 4371 2 147 . 1 1 69 69 CYS N N 15 120.311 0.000 . 1 . . . . . . . . 4371 2 148 . 1 1 70 70 ASN HD21 H 1 7.387 0.000 . 1 . . . . . . . . 4371 2 149 . 1 1 70 70 ASN HD22 H 1 7.020 0.000 . 1 . . . . . . . . 4371 2 150 . 1 1 70 70 ASN H H 1 8.722 0.000 . 1 . . . . . . . . 4371 2 151 . 1 1 70 70 ASN N N 15 121.654 0.000 . 1 . . . . . . . . 4371 2 152 . 1 1 70 70 ASN ND2 N 15 111.579 0.047 . 2 . . . . . . . . 4371 2 153 . 1 1 71 71 VAL H H 1 8.926 0.000 . 1 . . . . . . . . 4371 2 154 . 1 1 71 71 VAL N N 15 128.316 0.000 . 1 . . . . . . . . 4371 2 155 . 1 1 72 72 THR H H 1 8.081 0.000 . 1 . . . . . . . . 4371 2 156 . 1 1 72 72 THR N N 15 116.459 0.000 . 1 . . . . . . . . 4371 2 157 . 1 1 74 74 ARG H H 1 7.738 0.000 . 1 . . . . . . . . 4371 2 158 . 1 1 74 74 ARG N N 15 123.988 0.000 . 1 . . . . . . . . 4371 2 159 . 1 1 76 76 CYS H H 1 8.587 0.000 . 1 . . . . . . . . 4371 2 160 . 1 1 76 76 CYS N N 15 119.718 0.000 . 1 . . . . . . . . 4371 2 161 . 1 1 77 77 LYS H H 1 7.009 0.000 . 1 . . . . . . . . 4371 2 162 . 1 1 77 77 LYS N N 15 116.390 0.000 . 1 . . . . . . . . 4371 2 163 . 1 1 78 78 TYR H H 1 9.839 0.000 . 1 . . . . . . . . 4371 2 164 . 1 1 78 78 TYR N N 15 124.028 0.000 . 1 . . . . . . . . 4371 2 165 . 1 1 79 79 LYS H H 1 8.885 0.000 . 1 . . . . . . . . 4371 2 166 . 1 1 79 79 LYS N N 15 120.722 0.000 . 1 . . . . . . . . 4371 2 167 . 1 1 80 80 LEU H H 1 8.437 0.000 . 1 . . . . . . . . 4371 2 168 . 1 1 80 80 LEU N N 15 127.235 0.000 . 1 . . . . . . . . 4371 2 169 . 1 1 81 81 LYS H H 1 9.372 0.000 . 1 . . . . . . . . 4371 2 170 . 1 1 81 81 LYS N N 15 128.609 0.000 . 1 . . . . . . . . 4371 2 171 . 1 1 83 83 SER H H 1 8.812 0.000 . 1 . . . . . . . . 4371 2 172 . 1 1 83 83 SER N N 15 117.240 0.000 . 1 . . . . . . . . 4371 2 173 . 1 1 84 84 THR H H 1 8.356 0.000 . 1 . . . . . . . . 4371 2 174 . 1 1 84 84 THR N N 15 115.169 0.000 . 1 . . . . . . . . 4371 2 175 . 1 1 85 85 ASN HD21 H 1 7.776 0.000 . 1 . . . . . . . . 4371 2 176 . 1 1 85 85 ASN HD22 H 1 7.204 0.000 . 1 . . . . . . . . 4371 2 177 . 1 1 85 85 ASN H H 1 9.077 0.000 . 1 . . . . . . . . 4371 2 178 . 1 1 85 85 ASN N N 15 121.464 0.000 . 1 . . . . . . . . 4371 2 179 . 1 1 85 85 ASN ND2 N 15 111.773 0.009 . 2 . . . . . . . . 4371 2 180 . 1 1 86 86 LYS H H 1 9.156 0.000 . 1 . . . . . . . . 4371 2 181 . 1 1 86 86 LYS N N 15 120.868 0.000 . 1 . . . . . . . . 4371 2 182 . 1 1 87 87 PHE H H 1 7.972 0.000 . 1 . . . . . . . . 4371 2 183 . 1 1 87 87 PHE N N 15 114.264 0.000 . 1 . . . . . . . . 4371 2 184 . 1 1 88 88 CYS H H 1 8.938 0.000 . 1 . . . . . . . . 4371 2 185 . 1 1 88 88 CYS N N 15 120.568 0.000 . 1 . . . . . . . . 4371 2 186 . 1 1 89 89 VAL H H 1 8.814 0.000 . 1 . . . . . . . . 4371 2 187 . 1 1 89 89 VAL N N 15 121.602 0.000 . 1 . . . . . . . . 4371 2 188 . 1 1 90 90 THR H H 1 8.586 0.000 . 1 . . . . . . . . 4371 2 189 . 1 1 90 90 THR N N 15 117.987 0.000 . 1 . . . . . . . . 4371 2 190 . 1 1 91 91 CYS H H 1 9.191 0.000 . 1 . . . . . . . . 4371 2 191 . 1 1 91 91 CYS N N 15 127.279 0.000 . 1 . . . . . . . . 4371 2 192 . 1 1 92 92 GLU H H 1 8.741 0.000 . 1 . . . . . . . . 4371 2 193 . 1 1 92 92 GLU N N 15 118.994 0.000 . 1 . . . . . . . . 4371 2 194 . 1 1 93 93 ASN HD21 H 1 7.641 0.000 . 1 . . . . . . . . 4371 2 195 . 1 1 93 93 ASN HD22 H 1 6.846 0.000 . 1 . . . . . . . . 4371 2 196 . 1 1 93 93 ASN H H 1 10.208 0.000 . 1 . . . . . . . . 4371 2 197 . 1 1 93 93 ASN N N 15 126.201 0.000 . 1 . . . . . . . . 4371 2 198 . 1 1 93 93 ASN ND2 N 15 113.366 0.025 . 2 . . . . . . . . 4371 2 199 . 1 1 94 94 GLN HE21 H 1 7.670 0.000 . 1 . . . . . . . . 4371 2 200 . 1 1 94 94 GLN HE22 H 1 6.950 0.000 . 1 . . . . . . . . 4371 2 201 . 1 1 94 94 GLN H H 1 8.810 0.000 . 1 . . . . . . . . 4371 2 202 . 1 1 94 94 GLN N N 15 105.381 0.000 . 1 . . . . . . . . 4371 2 203 . 1 1 94 94 GLN NE2 N 15 113.760 0.068 . 2 . . . . . . . . 4371 2 204 . 1 1 95 95 ALA H H 1 7.600 0.000 . 1 . . . . . . . . 4371 2 205 . 1 1 95 95 ALA N N 15 119.360 0.000 . 1 . . . . . . . . 4371 2 206 . 1 1 97 97 VAL H H 1 8.508 0.000 . 1 . . . . . . . . 4371 2 207 . 1 1 97 97 VAL N N 15 108.987 0.000 . 1 . . . . . . . . 4371 2 208 . 1 1 98 98 HIS H H 1 7.319 0.000 . 1 . . . . . . . . 4371 2 209 . 1 1 98 98 HIS N N 15 118.141 0.000 . 1 . . . . . . . . 4371 2 210 . 1 1 100 100 VAL H H 1 8.077 0.000 . 1 . . . . . . . . 4371 2 211 . 1 1 100 100 VAL N N 15 129.317 0.000 . 1 . . . . . . . . 4371 2 212 . 1 1 101 101 GLY H H 1 6.680 0.000 . 1 . . . . . . . . 4371 2 213 . 1 1 101 101 GLY N N 15 103.070 0.000 . 1 . . . . . . . . 4371 2 214 . 1 1 102 102 VAL H H 1 8.659 0.000 . 1 . . . . . . . . 4371 2 215 . 1 1 102 102 VAL N N 15 118.509 0.000 . 1 . . . . . . . . 4371 2 216 . 1 1 103 103 GLY H H 1 8.704 0.000 . 1 . . . . . . . . 4371 2 217 . 1 1 103 103 GLY N N 15 115.514 0.000 . 1 . . . . . . . . 4371 2 218 . 1 1 104 104 SER H H 1 7.266 0.000 . 1 . . . . . . . . 4371 2 219 . 1 1 104 104 SER N N 15 112.196 0.000 . 1 . . . . . . . . 4371 2 220 . 1 1 105 105 CYS H H 1 8.335 0.000 . 1 . . . . . . . . 4371 2 221 . 1 1 105 105 CYS N N 15 124.461 0.000 . 1 . . . . . . . . 4371 2 stop_ save_