data_4880 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4880 _Entry.Title ; 1H, 15N and 13C resonance assignments of the N-terminal region of calponin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-25 _Entry.Accession_date 2000-10-25 _Entry.Last_release_date 2001-02-27 _Entry.Original_release_date 2001-02-27 _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 Janice Bramham . . . 4880 2 Brian Smith . O. . 4880 3 Dusan Uhrin . . . 4880 4 Paul Barlow . N. . 4880 5 Steven Winder . J. . 4880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 795 4880 '13C chemical shifts' 497 4880 '15N chemical shifts' 119 4880 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-02-27 2000-10-24 original author . 4880 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4880 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C resonance assignments of the N-terminal region of calponin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 2 _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 189 _Citation.Page_last 190 _Citation.Year 2001 _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 Janice Bramham . . . 4880 1 2 Brian Smith . O. . 4880 1 3 Dusan Uhrin . . . 4880 1 4 Paul Barlow . N. . 4880 1 5 Steven Winder . J. . 4880 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID calponin 4880 1 'CH domain' 4880 1 NMR 4880 1 'chemical shift' 4880 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4880 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; J. Biomol. NMR (1995) 6, 135-140 Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L. and Sykes, B.D. ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4880 2 2 'C G' Bigam C. G. . 4880 2 3 J Yao J. . . 4880 2 4 F Abildgaard F. . . 4880 2 5 'H J' Dyson H. J. . 4880 2 6 E Oldfield E. . . 4880 2 7 'J L' Markley J. L. . 4880 2 8 'B D' Sykes B. D. . 4880 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_calponin_CH_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_calponin_CH_domain _Assembly.Entry_ID 4880 _Assembly.ID 1 _Assembly.Name 'calponin CH domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4880 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 'calponin CH domain' 1 $calponin_CH_domain . . . native . . . . . 4880 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'calponin CH domain' system 4880 1 'calponin CH domain' abbreviation 4880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calponin_CH_domain _Entity.Sf_category entity _Entity.Sf_framecode calponin_CH_domain _Entity.Entry_ID 4880 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'calponin CH domain' _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 ; MPQTERQLRVWIEGATGRRI GDNFMDGLKDGVILCELINK LQPGSVQKVNDPVQNWHKLE NIGNFLRAIKHYGVKPHDIF EANDLFENTNHTQVQSTLIA LASQAKTK ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12249.96 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1H67 . "Nmr Structure Of The Ch Domain Of Calponin" . . . . . 100.00 108 100.00 100.00 1.02e-73 . . . . 4880 1 2 no GB AAA48651 . "calponin alpha [Gallus gallus]" . . . . . 99.07 292 99.07 99.07 7.48e-71 . . . . 4880 1 3 no GB AAA48652 . "calponin beta [Gallus gallus]" . . . . . 99.07 252 99.07 99.07 4.33e-71 . . . . 4880 1 4 no GB AAB30248 . "calponin alpha [Gallus gallus]" . . . . . 99.07 292 100.00 100.00 1.20e-71 . . . . 4880 1 5 no GB ABD17727 . "alpha h1-calponin [Coturnix coturnix]" . . . . . 99.07 292 100.00 100.00 1.20e-71 . . . . 4880 1 6 no GB ABD17728 . "beta h1-calponin [Coturnix coturnix]" . . . . . 99.07 252 100.00 100.00 6.34e-72 . . . . 4880 1 7 no PRF 1702210A . "calponin [Meleagris gallopavo]" . . . . . 99.07 176 98.13 98.13 2.54e-70 . . . . 4880 1 8 no REF NP_990847 . "calponin-1 [Gallus gallus]" . . . . . 99.07 292 99.07 99.07 7.48e-71 . . . . 4880 1 9 no REF XP_010725501 . "PREDICTED: calponin-1-like, partial [Meleagris gallopavo]" . . . . . 97.22 127 98.10 99.05 9.54e-70 . . . . 4880 1 10 no SP P26932 . "RecName: Full=Calponin-1; AltName: Full=Calponin, smooth muscle [Gallus gallus]" . . . . . 99.07 292 100.00 100.00 1.20e-71 . . . . 4880 1 11 no SP P37803 . "RecName: Full=Calponin-1; AltName: Full=Calponin, smooth muscle, partial [Meleagris gallopavo]" . . . . . 99.07 176 98.13 98.13 2.54e-70 . . . . 4880 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'calponin CH domain' common 4880 1 'calponin CH domain' abbreviation 4880 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 27 MET . 4880 1 2 28 PRO . 4880 1 3 29 GLN . 4880 1 4 30 THR . 4880 1 5 31 GLU . 4880 1 6 32 ARG . 4880 1 7 33 GLN . 4880 1 8 34 LEU . 4880 1 9 35 ARG . 4880 1 10 36 VAL . 4880 1 11 37 TRP . 4880 1 12 38 ILE . 4880 1 13 39 GLU . 4880 1 14 40 GLY . 4880 1 15 41 ALA . 4880 1 16 42 THR . 4880 1 17 43 GLY . 4880 1 18 44 ARG . 4880 1 19 45 ARG . 4880 1 20 46 ILE . 4880 1 21 47 GLY . 4880 1 22 48 ASP . 4880 1 23 49 ASN . 4880 1 24 50 PHE . 4880 1 25 51 MET . 4880 1 26 52 ASP . 4880 1 27 53 GLY . 4880 1 28 54 LEU . 4880 1 29 55 LYS . 4880 1 30 56 ASP . 4880 1 31 57 GLY . 4880 1 32 58 VAL . 4880 1 33 59 ILE . 4880 1 34 60 LEU . 4880 1 35 61 CYS . 4880 1 36 62 GLU . 4880 1 37 63 LEU . 4880 1 38 64 ILE . 4880 1 39 65 ASN . 4880 1 40 66 LYS . 4880 1 41 67 LEU . 4880 1 42 68 GLN . 4880 1 43 69 PRO . 4880 1 44 70 GLY . 4880 1 45 71 SER . 4880 1 46 72 VAL . 4880 1 47 73 GLN . 4880 1 48 74 LYS . 4880 1 49 75 VAL . 4880 1 50 76 ASN . 4880 1 51 77 ASP . 4880 1 52 78 PRO . 4880 1 53 79 VAL . 4880 1 54 80 GLN . 4880 1 55 81 ASN . 4880 1 56 82 TRP . 4880 1 57 83 HIS . 4880 1 58 84 LYS . 4880 1 59 85 LEU . 4880 1 60 86 GLU . 4880 1 61 87 ASN . 4880 1 62 88 ILE . 4880 1 63 89 GLY . 4880 1 64 90 ASN . 4880 1 65 91 PHE . 4880 1 66 92 LEU . 4880 1 67 93 ARG . 4880 1 68 94 ALA . 4880 1 69 95 ILE . 4880 1 70 96 LYS . 4880 1 71 97 HIS . 4880 1 72 98 TYR . 4880 1 73 99 GLY . 4880 1 74 100 VAL . 4880 1 75 101 LYS . 4880 1 76 102 PRO . 4880 1 77 103 HIS . 4880 1 78 104 ASP . 4880 1 79 105 ILE . 4880 1 80 106 PHE . 4880 1 81 107 GLU . 4880 1 82 108 ALA . 4880 1 83 109 ASN . 4880 1 84 110 ASP . 4880 1 85 111 LEU . 4880 1 86 112 PHE . 4880 1 87 113 GLU . 4880 1 88 114 ASN . 4880 1 89 115 THR . 4880 1 90 116 ASN . 4880 1 91 117 HIS . 4880 1 92 118 THR . 4880 1 93 119 GLN . 4880 1 94 120 VAL . 4880 1 95 121 GLN . 4880 1 96 122 SER . 4880 1 97 123 THR . 4880 1 98 124 LEU . 4880 1 99 125 ILE . 4880 1 100 126 ALA . 4880 1 101 127 LEU . 4880 1 102 128 ALA . 4880 1 103 129 SER . 4880 1 104 130 GLN . 4880 1 105 131 ALA . 4880 1 106 132 LYS . 4880 1 107 133 THR . 4880 1 108 134 LYS . 4880 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 4880 1 . PRO 2 2 4880 1 . GLN 3 3 4880 1 . THR 4 4 4880 1 . GLU 5 5 4880 1 . ARG 6 6 4880 1 . GLN 7 7 4880 1 . LEU 8 8 4880 1 . ARG 9 9 4880 1 . VAL 10 10 4880 1 . TRP 11 11 4880 1 . ILE 12 12 4880 1 . GLU 13 13 4880 1 . GLY 14 14 4880 1 . ALA 15 15 4880 1 . THR 16 16 4880 1 . GLY 17 17 4880 1 . ARG 18 18 4880 1 . ARG 19 19 4880 1 . ILE 20 20 4880 1 . GLY 21 21 4880 1 . ASP 22 22 4880 1 . ASN 23 23 4880 1 . PHE 24 24 4880 1 . MET 25 25 4880 1 . ASP 26 26 4880 1 . GLY 27 27 4880 1 . LEU 28 28 4880 1 . LYS 29 29 4880 1 . ASP 30 30 4880 1 . GLY 31 31 4880 1 . VAL 32 32 4880 1 . ILE 33 33 4880 1 . LEU 34 34 4880 1 . CYS 35 35 4880 1 . GLU 36 36 4880 1 . LEU 37 37 4880 1 . ILE 38 38 4880 1 . ASN 39 39 4880 1 . LYS 40 40 4880 1 . LEU 41 41 4880 1 . GLN 42 42 4880 1 . PRO 43 43 4880 1 . GLY 44 44 4880 1 . SER 45 45 4880 1 . VAL 46 46 4880 1 . GLN 47 47 4880 1 . LYS 48 48 4880 1 . VAL 49 49 4880 1 . ASN 50 50 4880 1 . ASP 51 51 4880 1 . PRO 52 52 4880 1 . VAL 53 53 4880 1 . GLN 54 54 4880 1 . ASN 55 55 4880 1 . TRP 56 56 4880 1 . HIS 57 57 4880 1 . LYS 58 58 4880 1 . LEU 59 59 4880 1 . GLU 60 60 4880 1 . ASN 61 61 4880 1 . ILE 62 62 4880 1 . GLY 63 63 4880 1 . ASN 64 64 4880 1 . PHE 65 65 4880 1 . LEU 66 66 4880 1 . ARG 67 67 4880 1 . ALA 68 68 4880 1 . ILE 69 69 4880 1 . LYS 70 70 4880 1 . HIS 71 71 4880 1 . TYR 72 72 4880 1 . GLY 73 73 4880 1 . VAL 74 74 4880 1 . LYS 75 75 4880 1 . PRO 76 76 4880 1 . HIS 77 77 4880 1 . ASP 78 78 4880 1 . ILE 79 79 4880 1 . PHE 80 80 4880 1 . GLU 81 81 4880 1 . ALA 82 82 4880 1 . ASN 83 83 4880 1 . ASP 84 84 4880 1 . LEU 85 85 4880 1 . PHE 86 86 4880 1 . GLU 87 87 4880 1 . ASN 88 88 4880 1 . THR 89 89 4880 1 . ASN 90 90 4880 1 . HIS 91 91 4880 1 . THR 92 92 4880 1 . GLN 93 93 4880 1 . VAL 94 94 4880 1 . GLN 95 95 4880 1 . SER 96 96 4880 1 . THR 97 97 4880 1 . LEU 98 98 4880 1 . ILE 99 99 4880 1 . ALA 100 100 4880 1 . LEU 101 101 4880 1 . ALA 102 102 4880 1 . SER 103 103 4880 1 . GLN 104 104 4880 1 . ALA 105 105 4880 1 . LYS 106 106 4880 1 . THR 107 107 4880 1 . LYS 108 108 4880 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 4880 _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 $calponin_CH_domain . 9031 . . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 4880 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 4880 _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 $calponin_CH_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . . . . . . . . 4880 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4880 _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 'calponin CH domain' '[U-99% 15N; U-98% 15N]' . . 1 $calponin_CH_domain . . 1.0 . . mM . . . . 4880 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4880 _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* 7.0 0.2 n/a 4880 1 temperature 291 . K 4880 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 4880 _Software.ID 1 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Processing raw data' 4880 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 4880 _Software.ID 2 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 4880 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4880 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 4880 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 4880 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H,15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 4 HBHA(CBCA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 6 H(C)(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 8 (HB)CB(CGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 9 (HB)CB(CGCDCE)HE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 10 '13C,15N HSQC-NOESY-CH3NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4880 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H,15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CBCA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(C)(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (HB)CB(CGCD)HD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4880 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C,15N HSQC-NOESY-CH3NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4880 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.776 internal direct . internal . . 2 $ref_1 'temperature and pH' . . . 4880 1 C 13 DDS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449527 . . . 2 $ref_1 . . . . 4880 1 N 15 DDS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $ref_1 . . . . 4880 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4880 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 . 4880 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 4.09 0.03 . 1 . . . . . . . . 4880 1 2 . 1 1 1 1 MET HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4880 1 3 . 1 1 1 1 MET HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4880 1 4 . 1 1 1 1 MET HG2 H 1 2.55 0.03 . 2 . . . . . . . . 4880 1 5 . 1 1 1 1 MET HG3 H 1 2.53 0.03 . 2 . . . . . . . . 4880 1 6 . 1 1 1 1 MET HE1 H 1 2.09 0.03 . 1 . . . . . . . . 4880 1 7 . 1 1 1 1 MET HE2 H 1 2.09 0.03 . 1 . . . . . . . . 4880 1 8 . 1 1 1 1 MET HE3 H 1 2.09 0.03 . 1 . . . . . . . . 4880 1 9 . 1 1 1 1 MET CA C 13 53.8 0.3 . 1 . . . . . . . . 4880 1 10 . 1 1 1 1 MET CB C 13 35.1 0.3 . 1 . . . . . . . . 4880 1 11 . 1 1 1 1 MET CG C 13 31.1 0.3 . 1 . . . . . . . . 4880 1 12 . 1 1 1 1 MET CE C 13 16.9 0.3 . 1 . . . . . . . . 4880 1 13 . 1 1 2 2 PRO HA H 1 4.21 0.03 . 1 . . . . . . . . 4880 1 14 . 1 1 2 2 PRO HB2 H 1 2.33 0.03 . 2 . . . . . . . . 4880 1 15 . 1 1 2 2 PRO HB3 H 1 1.91 0.03 . 2 . . . . . . . . 4880 1 16 . 1 1 2 2 PRO HG2 H 1 1.92 0.03 . 2 . . . . . . . . 4880 1 17 . 1 1 2 2 PRO HG3 H 1 1.86 0.03 . 2 . . . . . . . . 4880 1 18 . 1 1 2 2 PRO HD2 H 1 3.23 0.03 . 1 . . . . . . . . 4880 1 19 . 1 1 2 2 PRO HD3 H 1 3.23 0.03 . 1 . . . . . . . . 4880 1 20 . 1 1 2 2 PRO CA C 13 62.5 0.3 . 1 . . . . . . . . 4880 1 21 . 1 1 2 2 PRO CB C 13 32.8 0.3 . 1 . . . . . . . . 4880 1 22 . 1 1 2 2 PRO CG C 13 27.1 0.3 . 1 . . . . . . . . 4880 1 23 . 1 1 2 2 PRO CD C 13 49.5 0.3 . 1 . . . . . . . . 4880 1 24 . 1 1 3 3 GLN HA H 1 4.53 0.03 . 1 . . . . . . . . 4880 1 25 . 1 1 3 3 GLN HB2 H 1 2.18 0.03 . 2 . . . . . . . . 4880 1 26 . 1 1 3 3 GLN HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4880 1 27 . 1 1 3 3 GLN HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4880 1 28 . 1 1 3 3 GLN HG3 H 1 2.37 0.03 . 1 . . . . . . . . 4880 1 29 . 1 1 3 3 GLN HE21 H 1 7.45 0.03 . 2 . . . . . . . . 4880 1 30 . 1 1 3 3 GLN HE22 H 1 6.67 0.03 . 2 . . . . . . . . 4880 1 31 . 1 1 3 3 GLN CA C 13 56.7 0.3 . 1 . . . . . . . . 4880 1 32 . 1 1 3 3 GLN CB C 13 30.3 0.3 . 1 . . . . . . . . 4880 1 33 . 1 1 3 3 GLN CG C 13 34.1 0.3 . 1 . . . . . . . . 4880 1 34 . 1 1 3 3 GLN CD C 13 179.9 0.3 . 1 . . . . . . . . 4880 1 35 . 1 1 3 3 GLN NE2 N 15 111.2 0.3 . 1 . . . . . . . . 4880 1 36 . 1 1 4 4 THR HA H 1 4.26 0.03 . 1 . . . . . . . . 4880 1 37 . 1 1 4 4 THR HB H 1 4.41 0.03 . 1 . . . . . . . . 4880 1 38 . 1 1 4 4 THR HG21 H 1 1.24 0.03 . 1 . . . . . . . . 4880 1 39 . 1 1 4 4 THR HG22 H 1 1.24 0.03 . 1 . . . . . . . . 4880 1 40 . 1 1 4 4 THR HG23 H 1 1.24 0.03 . 1 . . . . . . . . 4880 1 41 . 1 1 4 4 THR C C 13 175.2 0.3 . 1 . . . . . . . . 4880 1 42 . 1 1 4 4 THR CA C 13 62.3 0.3 . 1 . . . . . . . . 4880 1 43 . 1 1 4 4 THR CB C 13 70.7 0.3 . 1 . . . . . . . . 4880 1 44 . 1 1 4 4 THR CG2 C 13 22.1 0.3 . 1 . . . . . . . . 4880 1 45 . 1 1 5 5 GLU H H 1 8.73 0.03 . 1 . . . . . . . . 4880 1 46 . 1 1 5 5 GLU HA H 1 3.42 0.03 . 1 . . . . . . . . 4880 1 47 . 1 1 5 5 GLU HB2 H 1 1.95 0.03 . 2 . . . . . . . . 4880 1 48 . 1 1 5 5 GLU HB3 H 1 1.74 0.03 . 2 . . . . . . . . 4880 1 49 . 1 1 5 5 GLU HG2 H 1 1.59 0.03 . 2 . . . . . . . . 4880 1 50 . 1 1 5 5 GLU HG3 H 1 1.48 0.03 . 2 . . . . . . . . 4880 1 51 . 1 1 5 5 GLU C C 13 177.8 0.3 . 1 . . . . . . . . 4880 1 52 . 1 1 5 5 GLU CA C 13 60.3 0.3 . 1 . . . . . . . . 4880 1 53 . 1 1 5 5 GLU CB C 13 29.7 0.3 . 1 . . . . . . . . 4880 1 54 . 1 1 5 5 GLU CG C 13 36.9 0.3 . 1 . . . . . . . . 4880 1 55 . 1 1 5 5 GLU N N 15 121.3 0.3 . 1 . . . . . . . . 4880 1 56 . 1 1 6 6 ARG H H 1 8.11 0.04 . 1 . . . . . . . . 4880 1 57 . 1 1 6 6 ARG HA H 1 4.01 0.04 . 1 . . . . . . . . 4880 1 58 . 1 1 6 6 ARG HB2 H 1 1.92 0.04 . 2 . . . . . . . . 4880 1 59 . 1 1 6 6 ARG HB3 H 1 1.87 0.05 . 2 . . . . . . . . 4880 1 60 . 1 1 6 6 ARG HG2 H 1 1.72 0.03 . 2 . . . . . . . . 4880 1 61 . 1 1 6 6 ARG HG3 H 1 1.71 0.03 . 2 . . . . . . . . 4880 1 62 . 1 1 6 6 ARG HD2 H 1 3.23 0.03 . 1 . . . . . . . . 4880 1 63 . 1 1 6 6 ARG HD3 H 1 3.23 0.03 . 1 . . . . . . . . 4880 1 64 . 1 1 6 6 ARG C C 13 178.5 0.3 . 1 . . . . . . . . 4880 1 65 . 1 1 6 6 ARG CA C 13 59.6 0.3 . 1 . . . . . . . . 4880 1 66 . 1 1 6 6 ARG CB C 13 29.8 0.3 . 1 . . . . . . . . 4880 1 67 . 1 1 6 6 ARG CG C 13 27.2 0.3 . 1 . . . . . . . . 4880 1 68 . 1 1 6 6 ARG CD C 13 43.3 0.3 . 1 . . . . . . . . 4880 1 69 . 1 1 6 6 ARG N N 15 118.1 0.3 . 1 . . . . . . . . 4880 1 70 . 1 1 7 7 GLN H H 1 7.79 0.03 . 1 . . . . . . . . 4880 1 71 . 1 1 7 7 GLN HA H 1 4.09 0.03 . 1 . . . . . . . . 4880 1 72 . 1 1 7 7 GLN HB2 H 1 2.28 0.03 . 2 . . . . . . . . 4880 1 73 . 1 1 7 7 GLN HB3 H 1 2.11 0.03 . 2 . . . . . . . . 4880 1 74 . 1 1 7 7 GLN HG2 H 1 2.48 0.03 . 1 . . . . . . . . 4880 1 75 . 1 1 7 7 GLN HG3 H 1 2.48 0.03 . 1 . . . . . . . . 4880 1 76 . 1 1 7 7 GLN HE21 H 1 7.54 0.03 . 2 . . . . . . . . 4880 1 77 . 1 1 7 7 GLN HE22 H 1 6.92 0.03 . 2 . . . . . . . . 4880 1 78 . 1 1 7 7 GLN C C 13 180.2 0.3 . 1 . . . . . . . . 4880 1 79 . 1 1 7 7 GLN CA C 13 58.9 0.3 . 1 . . . . . . . . 4880 1 80 . 1 1 7 7 GLN CB C 13 28.7 0.3 . 1 . . . . . . . . 4880 1 81 . 1 1 7 7 GLN CG C 13 34.5 0.3 . 1 . . . . . . . . 4880 1 82 . 1 1 7 7 GLN CD C 13 180.0 0.3 . 1 . . . . . . . . 4880 1 83 . 1 1 7 7 GLN N N 15 117.3 0.3 . 1 . . . . . . . . 4880 1 84 . 1 1 7 7 GLN NE2 N 15 111.5 0.3 . 1 . . . . . . . . 4880 1 85 . 1 1 8 8 LEU H H 1 8.50 0.03 . 1 . . . . . . . . 4880 1 86 . 1 1 8 8 LEU HA H 1 4.46 0.05 . 1 . . . . . . . . 4880 1 87 . 1 1 8 8 LEU HB2 H 1 2.17 0.05 . 2 . . . . . . . . 4880 1 88 . 1 1 8 8 LEU HB3 H 1 1.51 0.03 . 2 . . . . . . . . 4880 1 89 . 1 1 8 8 LEU HG H 1 1.88 0.03 . 1 . . . . . . . . 4880 1 90 . 1 1 8 8 LEU HD11 H 1 0.94 0.03 . 2 . . . . . . . . 4880 1 91 . 1 1 8 8 LEU HD12 H 1 0.94 0.03 . 2 . . . . . . . . 4880 1 92 . 1 1 8 8 LEU HD13 H 1 0.94 0.03 . 2 . . . . . . . . 4880 1 93 . 1 1 8 8 LEU HD21 H 1 1.01 0.03 . 2 . . . . . . . . 4880 1 94 . 1 1 8 8 LEU HD22 H 1 1.01 0.03 . 2 . . . . . . . . 4880 1 95 . 1 1 8 8 LEU HD23 H 1 1.01 0.03 . 2 . . . . . . . . 4880 1 96 . 1 1 8 8 LEU C C 13 178.7 0.3 . 1 . . . . . . . . 4880 1 97 . 1 1 8 8 LEU CA C 13 58.1 0.3 . 1 . . . . . . . . 4880 1 98 . 1 1 8 8 LEU CB C 13 43.4 0.3 . 1 . . . . . . . . 4880 1 99 . 1 1 8 8 LEU CG C 13 26.9 0.3 . 1 . . . . . . . . 4880 1 100 . 1 1 8 8 LEU CD1 C 13 26.5 0.3 . 2 . . . . . . . . 4880 1 101 . 1 1 8 8 LEU CD2 C 13 23.5 0.3 . 2 . . . . . . . . 4880 1 102 . 1 1 8 8 LEU N N 15 120.9 0.3 . 1 . . . . . . . . 4880 1 103 . 1 1 9 9 ARG H H 1 8.83 0.03 . 1 . . . . . . . . 4880 1 104 . 1 1 9 9 ARG HA H 1 3.92 0.03 . 1 . . . . . . . . 4880 1 105 . 1 1 9 9 ARG HB2 H 1 2.09 0.03 . 2 . . . . . . . . 4880 1 106 . 1 1 9 9 ARG HB3 H 1 2.08 0.03 . 2 . . . . . . . . 4880 1 107 . 1 1 9 9 ARG HG2 H 1 1.72 0.03 . 2 . . . . . . . . 4880 1 108 . 1 1 9 9 ARG HG3 H 1 1.54 0.03 . 2 . . . . . . . . 4880 1 109 . 1 1 9 9 ARG HD2 H 1 3.49 0.03 . 2 . . . . . . . . 4880 1 110 . 1 1 9 9 ARG HD3 H 1 3.13 0.03 . 2 . . . . . . . . 4880 1 111 . 1 1 9 9 ARG C C 13 177.6 0.3 . 1 . . . . . . . . 4880 1 112 . 1 1 9 9 ARG CA C 13 61.0 0.3 . 1 . . . . . . . . 4880 1 113 . 1 1 9 9 ARG CB C 13 30.8 0.3 . 1 . . . . . . . . 4880 1 114 . 1 1 9 9 ARG CG C 13 29.0 0.3 . 1 . . . . . . . . 4880 1 115 . 1 1 9 9 ARG CD C 13 43.9 0.3 . 1 . . . . . . . . 4880 1 116 . 1 1 9 9 ARG N N 15 119.8 0.3 . 1 . . . . . . . . 4880 1 117 . 1 1 10 10 VAL H H 1 8.01 0.03 . 1 . . . . . . . . 4880 1 118 . 1 1 10 10 VAL HA H 1 3.90 0.03 . 1 . . . . . . . . 4880 1 119 . 1 1 10 10 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 4880 1 120 . 1 1 10 10 VAL HG11 H 1 1.18 0.03 . 2 . . . . . . . . 4880 1 121 . 1 1 10 10 VAL HG12 H 1 1.18 0.03 . 2 . . . . . . . . 4880 1 122 . 1 1 10 10 VAL HG13 H 1 1.18 0.03 . 2 . . . . . . . . 4880 1 123 . 1 1 10 10 VAL HG21 H 1 1.08 0.03 . 2 . . . . . . . . 4880 1 124 . 1 1 10 10 VAL HG22 H 1 1.08 0.03 . 2 . . . . . . . . 4880 1 125 . 1 1 10 10 VAL HG23 H 1 1.08 0.03 . 2 . . . . . . . . 4880 1 126 . 1 1 10 10 VAL C C 13 180.0 0.3 . 1 . . . . . . . . 4880 1 127 . 1 1 10 10 VAL CA C 13 66.1 0.3 . 1 . . . . . . . . 4880 1 128 . 1 1 10 10 VAL CB C 13 32.3 0.3 . 1 . . . . . . . . 4880 1 129 . 1 1 10 10 VAL CG1 C 13 22.8 0.3 . 2 . . . . . . . . 4880 1 130 . 1 1 10 10 VAL CG2 C 13 21.2 0.3 . 2 . . . . . . . . 4880 1 131 . 1 1 10 10 VAL N N 15 117.7 0.3 . 1 . . . . . . . . 4880 1 132 . 1 1 11 11 TRP H H 1 7.88 0.03 . 1 . . . . . . . . 4880 1 133 . 1 1 11 11 TRP HA H 1 4.69 0.03 . 1 . . . . . . . . 4880 1 134 . 1 1 11 11 TRP HB2 H 1 3.69 0.03 . 2 . . . . . . . . 4880 1 135 . 1 1 11 11 TRP HB3 H 1 3.40 0.03 . 2 . . . . . . . . 4880 1 136 . 1 1 11 11 TRP HD1 H 1 7.44 0.03 . 1 . . . . . . . . 4880 1 137 . 1 1 11 11 TRP HE1 H 1 10.50 0.03 . 1 . . . . . . . . 4880 1 138 . 1 1 11 11 TRP HE3 H 1 7.63 0.04 . 1 . . . . . . . . 4880 1 139 . 1 1 11 11 TRP HZ2 H 1 7.27 0.03 . 1 . . . . . . . . 4880 1 140 . 1 1 11 11 TRP HZ3 H 1 7.07 0.03 . 1 . . . . . . . . 4880 1 141 . 1 1 11 11 TRP HH2 H 1 6.93 0.03 . 1 . . . . . . . . 4880 1 142 . 1 1 11 11 TRP C C 13 177.9 0.3 . 1 . . . . . . . . 4880 1 143 . 1 1 11 11 TRP CA C 13 59.8 0.3 . 1 . . . . . . . . 4880 1 144 . 1 1 11 11 TRP CB C 13 28.3 0.3 . 1 . . . . . . . . 4880 1 145 . 1 1 11 11 TRP CD1 C 13 127.0 0.3 . 1 . . . . . . . . 4880 1 146 . 1 1 11 11 TRP CE3 C 13 120.4 0.3 . 1 . . . . . . . . 4880 1 147 . 1 1 11 11 TRP CZ2 C 13 113.1 0.3 . 1 . . . . . . . . 4880 1 148 . 1 1 11 11 TRP CZ3 C 13 120.7 0.3 . 1 . . . . . . . . 4880 1 149 . 1 1 11 11 TRP CH2 C 13 122.7 0.3 . 1 . . . . . . . . 4880 1 150 . 1 1 11 11 TRP N N 15 120.9 0.3 . 1 . . . . . . . . 4880 1 151 . 1 1 11 11 TRP NE1 N 15 130.6 0.3 . 1 . . . . . . . . 4880 1 152 . 1 1 12 12 ILE H H 1 8.97 0.05 . 1 . . . . . . . . 4880 1 153 . 1 1 12 12 ILE HA H 1 2.89 0.03 . 1 . . . . . . . . 4880 1 154 . 1 1 12 12 ILE HB H 1 1.74 0.05 . 1 . . . . . . . . 4880 1 155 . 1 1 12 12 ILE HG12 H 1 2.16 0.05 . 2 . . . . . . . . 4880 1 156 . 1 1 12 12 ILE HG13 H 1 0.44 0.04 . 2 . . . . . . . . 4880 1 157 . 1 1 12 12 ILE HG21 H 1 0.56 0.03 . 1 . . . . . . . . 4880 1 158 . 1 1 12 12 ILE HG22 H 1 0.56 0.03 . 1 . . . . . . . . 4880 1 159 . 1 1 12 12 ILE HG23 H 1 0.56 0.03 . 1 . . . . . . . . 4880 1 160 . 1 1 12 12 ILE HD11 H 1 0.89 0.03 . 1 . . . . . . . . 4880 1 161 . 1 1 12 12 ILE HD12 H 1 0.89 0.03 . 1 . . . . . . . . 4880 1 162 . 1 1 12 12 ILE HD13 H 1 0.89 0.03 . 1 . . . . . . . . 4880 1 163 . 1 1 12 12 ILE C C 13 180.0 0.3 . 1 . . . . . . . . 4880 1 164 . 1 1 12 12 ILE CA C 13 66.0 0.3 . 1 . . . . . . . . 4880 1 165 . 1 1 12 12 ILE CB C 13 38.8 0.3 . 1 . . . . . . . . 4880 1 166 . 1 1 12 12 ILE CG1 C 13 30.0 0.4 . 1 . . . . . . . . 4880 1 167 . 1 1 12 12 ILE CG2 C 13 18.0 0.3 . 1 . . . . . . . . 4880 1 168 . 1 1 12 12 ILE CD1 C 13 14.2 0.3 . 1 . . . . . . . . 4880 1 169 . 1 1 12 12 ILE N N 15 119.2 0.3 . 1 . . . . . . . . 4880 1 170 . 1 1 13 13 GLU H H 1 9.28 0.04 . 1 . . . . . . . . 4880 1 171 . 1 1 13 13 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 4880 1 172 . 1 1 13 13 GLU HB2 H 1 2.10 0.03 . 2 . . . . . . . . 4880 1 173 . 1 1 13 13 GLU HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4880 1 174 . 1 1 13 13 GLU HG2 H 1 2.75 0.03 . 2 . . . . . . . . 4880 1 175 . 1 1 13 13 GLU HG3 H 1 2.63 0.04 . 2 . . . . . . . . 4880 1 176 . 1 1 13 13 GLU C C 13 180.3 0.3 . 1 . . . . . . . . 4880 1 177 . 1 1 13 13 GLU CA C 13 60.2 0.3 . 1 . . . . . . . . 4880 1 178 . 1 1 13 13 GLU CB C 13 28.9 0.3 . 1 . . . . . . . . 4880 1 179 . 1 1 13 13 GLU CG C 13 38.0 0.3 . 1 . . . . . . . . 4880 1 180 . 1 1 13 13 GLU N N 15 121.8 0.3 . 1 . . . . . . . . 4880 1 181 . 1 1 14 14 GLY H H 1 7.98 0.03 . 1 . . . . . . . . 4880 1 182 . 1 1 14 14 GLY HA2 H 1 3.99 0.03 . 2 . . . . . . . . 4880 1 183 . 1 1 14 14 GLY HA3 H 1 3.91 0.03 . 2 . . . . . . . . 4880 1 184 . 1 1 14 14 GLY C C 13 175.9 0.3 . 1 . . . . . . . . 4880 1 185 . 1 1 14 14 GLY CA C 13 47.0 0.3 . 1 . . . . . . . . 4880 1 186 . 1 1 14 14 GLY N N 15 107.2 0.3 . 1 . . . . . . . . 4880 1 187 . 1 1 15 15 ALA H H 1 8.06 0.03 . 1 . . . . . . . . 4880 1 188 . 1 1 15 15 ALA HA H 1 4.24 0.03 . 1 . . . . . . . . 4880 1 189 . 1 1 15 15 ALA HB1 H 1 1.10 0.03 . 1 . . . . . . . . 4880 1 190 . 1 1 15 15 ALA HB2 H 1 1.10 0.03 . 1 . . . . . . . . 4880 1 191 . 1 1 15 15 ALA HB3 H 1 1.10 0.03 . 1 . . . . . . . . 4880 1 192 . 1 1 15 15 ALA C C 13 179.3 0.3 . 1 . . . . . . . . 4880 1 193 . 1 1 15 15 ALA CA C 13 54.3 0.3 . 1 . . . . . . . . 4880 1 194 . 1 1 15 15 ALA CB C 13 19.0 0.3 . 1 . . . . . . . . 4880 1 195 . 1 1 15 15 ALA N N 15 121.6 0.3 . 1 . . . . . . . . 4880 1 196 . 1 1 16 16 THR H H 1 7.63 0.03 . 1 . . . . . . . . 4880 1 197 . 1 1 16 16 THR HA H 1 4.23 0.03 . 1 . . . . . . . . 4880 1 198 . 1 1 16 16 THR HB H 1 4.13 0.03 . 1 . . . . . . . . 4880 1 199 . 1 1 16 16 THR HG1 H 1 4.01 0.03 . 1 . . . . . . . . 4880 1 200 . 1 1 16 16 THR HG21 H 1 1.10 0.03 . 1 . . . . . . . . 4880 1 201 . 1 1 16 16 THR HG22 H 1 1.10 0.03 . 1 . . . . . . . . 4880 1 202 . 1 1 16 16 THR HG23 H 1 1.10 0.03 . 1 . . . . . . . . 4880 1 203 . 1 1 16 16 THR C C 13 176.4 0.3 . 1 . . . . . . . . 4880 1 204 . 1 1 16 16 THR CA C 13 62.5 0.3 . 1 . . . . . . . . 4880 1 205 . 1 1 16 16 THR CB C 13 72.2 0.3 . 1 . . . . . . . . 4880 1 206 . 1 1 16 16 THR CG2 C 13 21.4 0.3 . 1 . . . . . . . . 4880 1 207 . 1 1 16 16 THR N N 15 101.4 0.3 . 1 . . . . . . . . 4880 1 208 . 1 1 17 17 GLY H H 1 8.19 0.04 . 1 . . . . . . . . 4880 1 209 . 1 1 17 17 GLY HA2 H 1 4.11 0.03 . 2 . . . . . . . . 4880 1 210 . 1 1 17 17 GLY HA3 H 1 3.89 0.03 . 2 . . . . . . . . 4880 1 211 . 1 1 17 17 GLY C C 13 173.6 0.3 . 1 . . . . . . . . 4880 1 212 . 1 1 17 17 GLY CA C 13 46.3 0.3 . 1 . . . . . . . . 4880 1 213 . 1 1 17 17 GLY N N 15 112.1 0.3 . 1 . . . . . . . . 4880 1 214 . 1 1 18 18 ARG H H 1 7.60 0.03 . 1 . . . . . . . . 4880 1 215 . 1 1 18 18 ARG HA H 1 4.45 0.03 . 1 . . . . . . . . 4880 1 216 . 1 1 18 18 ARG HB2 H 1 1.60 0.03 . 2 . . . . . . . . 4880 1 217 . 1 1 18 18 ARG HB3 H 1 1.58 0.03 . 2 . . . . . . . . 4880 1 218 . 1 1 18 18 ARG HG2 H 1 1.49 0.03 . 1 . . . . . . . . 4880 1 219 . 1 1 18 18 ARG HG3 H 1 1.49 0.03 . 1 . . . . . . . . 4880 1 220 . 1 1 18 18 ARG HD2 H 1 3.15 0.03 . 2 . . . . . . . . 4880 1 221 . 1 1 18 18 ARG HD3 H 1 2.88 0.03 . 2 . . . . . . . . 4880 1 222 . 1 1 18 18 ARG HE H 1 8.35 0.03 . 1 . . . . . . . . 4880 1 223 . 1 1 18 18 ARG C C 13 174.5 0.3 . 1 . . . . . . . . 4880 1 224 . 1 1 18 18 ARG CA C 13 53.7 0.3 . 1 . . . . . . . . 4880 1 225 . 1 1 18 18 ARG CB C 13 32.7 0.3 . 1 . . . . . . . . 4880 1 226 . 1 1 18 18 ARG CG C 13 27.2 0.3 . 1 . . . . . . . . 4880 1 227 . 1 1 18 18 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 4880 1 228 . 1 1 18 18 ARG N N 15 119.0 0.3 . 1 . . . . . . . . 4880 1 229 . 1 1 18 18 ARG NE N 15 125.3 0.3 . 1 . . . . . . . . 4880 1 230 . 1 1 19 19 ARG H H 1 8.17 0.03 . 1 . . . . . . . . 4880 1 231 . 1 1 19 19 ARG HA H 1 4.36 0.03 . 1 . . . . . . . . 4880 1 232 . 1 1 19 19 ARG HB2 H 1 1.73 0.03 . 2 . . . . . . . . 4880 1 233 . 1 1 19 19 ARG HB3 H 1 1.65 0.03 . 2 . . . . . . . . 4880 1 234 . 1 1 19 19 ARG HG2 H 1 1.65 0.03 . 2 . . . . . . . . 4880 1 235 . 1 1 19 19 ARG HG3 H 1 1.49 0.03 . 2 . . . . . . . . 4880 1 236 . 1 1 19 19 ARG HD2 H 1 3.12 0.03 . 1 . . . . . . . . 4880 1 237 . 1 1 19 19 ARG HD3 H 1 3.12 0.03 . 1 . . . . . . . . 4880 1 238 . 1 1 19 19 ARG C C 13 176.7 0.3 . 1 . . . . . . . . 4880 1 239 . 1 1 19 19 ARG CA C 13 54.3 0.3 . 1 . . . . . . . . 4880 1 240 . 1 1 19 19 ARG CB C 13 30.9 0.3 . 1 . . . . . . . . 4880 1 241 . 1 1 19 19 ARG CG C 13 27.0 0.3 . 1 . . . . . . . . 4880 1 242 . 1 1 19 19 ARG CD C 13 43.3 0.3 . 1 . . . . . . . . 4880 1 243 . 1 1 19 19 ARG N N 15 117.9 0.3 . 1 . . . . . . . . 4880 1 244 . 1 1 20 20 ILE H H 1 9.56 0.03 . 1 . . . . . . . . 4880 1 245 . 1 1 20 20 ILE HA H 1 3.53 0.04 . 1 . . . . . . . . 4880 1 246 . 1 1 20 20 ILE HB H 1 1.71 0.04 . 1 . . . . . . . . 4880 1 247 . 1 1 20 20 ILE HG12 H 1 1.76 0.03 . 2 . . . . . . . . 4880 1 248 . 1 1 20 20 ILE HG13 H 1 0.71 0.03 . 2 . . . . . . . . 4880 1 249 . 1 1 20 20 ILE HG21 H 1 0.84 0.03 . 1 . . . . . . . . 4880 1 250 . 1 1 20 20 ILE HG22 H 1 0.84 0.03 . 1 . . . . . . . . 4880 1 251 . 1 1 20 20 ILE HG23 H 1 0.84 0.03 . 1 . . . . . . . . 4880 1 252 . 1 1 20 20 ILE HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4880 1 253 . 1 1 20 20 ILE HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4880 1 254 . 1 1 20 20 ILE HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4880 1 255 . 1 1 20 20 ILE C C 13 176.4 0.3 . 1 . . . . . . . . 4880 1 256 . 1 1 20 20 ILE CA C 13 63.7 0.3 . 1 . . . . . . . . 4880 1 257 . 1 1 20 20 ILE CB C 13 39.6 0.3 . 1 . . . . . . . . 4880 1 258 . 1 1 20 20 ILE CG1 C 13 30.0 0.3 . 1 . . . . . . . . 4880 1 259 . 1 1 20 20 ILE CG2 C 13 19.5 0.3 . 1 . . . . . . . . 4880 1 260 . 1 1 20 20 ILE CD1 C 13 15.5 0.3 . 1 . . . . . . . . 4880 1 261 . 1 1 20 20 ILE N N 15 126.9 0.3 . 1 . . . . . . . . 4880 1 262 . 1 1 21 21 GLY H H 1 8.48 0.06 . 1 . . . . . . . . 4880 1 263 . 1 1 21 21 GLY HA2 H 1 4.38 0.02 . 2 . . . . . . . . 4880 1 264 . 1 1 21 21 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . 4880 1 265 . 1 1 21 21 GLY C C 13 174.6 0.3 . 1 . . . . . . . . 4880 1 266 . 1 1 21 21 GLY CA C 13 43.6 0.3 . 1 . . . . . . . . 4880 1 267 . 1 1 21 21 GLY N N 15 107.6 0.3 . 1 . . . . . . . . 4880 1 268 . 1 1 22 22 ASP H H 1 8.59 0.03 . 1 . . . . . . . . 4880 1 269 . 1 1 22 22 ASP HA H 1 4.26 0.03 . 1 . . . . . . . . 4880 1 270 . 1 1 22 22 ASP HB2 H 1 2.70 0.03 . 2 . . . . . . . . 4880 1 271 . 1 1 22 22 ASP HB3 H 1 2.60 0.03 . 2 . . . . . . . . 4880 1 272 . 1 1 22 22 ASP C C 13 176.1 0.3 . 1 . . . . . . . . 4880 1 273 . 1 1 22 22 ASP CA C 13 57.7 0.3 . 1 . . . . . . . . 4880 1 274 . 1 1 22 22 ASP CB C 13 40.9 0.3 . 1 . . . . . . . . 4880 1 275 . 1 1 22 22 ASP N N 15 118.6 0.3 . 1 . . . . . . . . 4880 1 276 . 1 1 23 23 ASN H H 1 8.09 0.03 . 1 . . . . . . . . 4880 1 277 . 1 1 23 23 ASN HA H 1 4.87 0.03 . 1 . . . . . . . . 4880 1 278 . 1 1 23 23 ASN HB2 H 1 2.92 0.03 . 2 . . . . . . . . 4880 1 279 . 1 1 23 23 ASN HB3 H 1 2.63 0.03 . 2 . . . . . . . . 4880 1 280 . 1 1 23 23 ASN HD21 H 1 7.73 0.03 . 2 . . . . . . . . 4880 1 281 . 1 1 23 23 ASN HD22 H 1 6.88 0.03 . 2 . . . . . . . . 4880 1 282 . 1 1 23 23 ASN C C 13 174.8 0.3 . 1 . . . . . . . . 4880 1 283 . 1 1 23 23 ASN CA C 13 52.5 0.3 . 1 . . . . . . . . 4880 1 284 . 1 1 23 23 ASN CB C 13 39.3 0.3 . 1 . . . . . . . . 4880 1 285 . 1 1 23 23 ASN CG C 13 176.5 0.3 . 1 . . . . . . . . 4880 1 286 . 1 1 23 23 ASN N N 15 117.2 0.3 . 1 . . . . . . . . 4880 1 287 . 1 1 23 23 ASN ND2 N 15 113.8 0.3 . 1 . . . . . . . . 4880 1 288 . 1 1 24 24 PHE H H 1 8.86 0.03 . 1 . . . . . . . . 4880 1 289 . 1 1 24 24 PHE HA H 1 3.89 0.03 . 1 . . . . . . . . 4880 1 290 . 1 1 24 24 PHE HB2 H 1 3.14 0.03 . 2 . . . . . . . . 4880 1 291 . 1 1 24 24 PHE HB3 H 1 3.00 0.03 . 2 . . . . . . . . 4880 1 292 . 1 1 24 24 PHE HD1 H 1 7.05 0.04 . 1 . . . . . . . . 4880 1 293 . 1 1 24 24 PHE HD2 H 1 7.05 0.04 . 1 . . . . . . . . 4880 1 294 . 1 1 24 24 PHE HE1 H 1 6.92 0.03 . 1 . . . . . . . . 4880 1 295 . 1 1 24 24 PHE HE2 H 1 6.92 0.03 . 1 . . . . . . . . 4880 1 296 . 1 1 24 24 PHE HZ H 1 6.93 0.03 . 1 . . . . . . . . 4880 1 297 . 1 1 24 24 PHE C C 13 174.9 0.3 . 1 . . . . . . . . 4880 1 298 . 1 1 24 24 PHE CA C 13 61.5 0.3 . 1 . . . . . . . . 4880 1 299 . 1 1 24 24 PHE CB C 13 40.1 0.3 . 1 . . . . . . . . 4880 1 300 . 1 1 24 24 PHE CD1 C 13 131.3 0.3 . 1 . . . . . . . . 4880 1 301 . 1 1 24 24 PHE CD2 C 13 131.3 0.3 . 1 . . . . . . . . 4880 1 302 . 1 1 24 24 PHE CE1 C 13 129.4 0.3 . 1 . . . . . . . . 4880 1 303 . 1 1 24 24 PHE CE2 C 13 129.4 0.3 . 1 . . . . . . . . 4880 1 304 . 1 1 24 24 PHE CZ C 13 127.8 0.3 . 1 . . . . . . . . 4880 1 305 . 1 1 24 24 PHE N N 15 128.9 0.3 . 1 . . . . . . . . 4880 1 306 . 1 1 25 25 MET H H 1 8.32 0.03 . 1 . . . . . . . . 4880 1 307 . 1 1 25 25 MET HA H 1 3.97 0.03 . 1 . . . . . . . . 4880 1 308 . 1 1 25 25 MET HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4880 1 309 . 1 1 25 25 MET HB3 H 1 1.18 0.04 . 2 . . . . . . . . 4880 1 310 . 1 1 25 25 MET HG2 H 1 2.46 0.03 . 2 . . . . . . . . 4880 1 311 . 1 1 25 25 MET HG3 H 1 2.22 0.03 . 2 . . . . . . . . 4880 1 312 . 1 1 25 25 MET HE1 H 1 2.01 0.03 . 1 . . . . . . . . 4880 1 313 . 1 1 25 25 MET HE2 H 1 2.01 0.03 . 1 . . . . . . . . 4880 1 314 . 1 1 25 25 MET HE3 H 1 2.01 0.03 . 1 . . . . . . . . 4880 1 315 . 1 1 25 25 MET C C 13 180.5 0.3 . 1 . . . . . . . . 4880 1 316 . 1 1 25 25 MET CA C 13 56.9 0.3 . 1 . . . . . . . . 4880 1 317 . 1 1 25 25 MET CB C 13 30.9 0.3 . 1 . . . . . . . . 4880 1 318 . 1 1 25 25 MET CG C 13 33.2 0.3 . 1 . . . . . . . . 4880 1 319 . 1 1 25 25 MET CE C 13 18.5 0.3 . 1 . . . . . . . . 4880 1 320 . 1 1 25 25 MET N N 15 113.8 0.3 . 1 . . . . . . . . 4880 1 321 . 1 1 26 26 ASP H H 1 8.27 0.04 . 1 . . . . . . . . 4880 1 322 . 1 1 26 26 ASP HA H 1 4.20 0.03 . 1 . . . . . . . . 4880 1 323 . 1 1 26 26 ASP HB2 H 1 2.60 0.03 . 2 . . . . . . . . 4880 1 324 . 1 1 26 26 ASP HB3 H 1 2.49 0.03 . 2 . . . . . . . . 4880 1 325 . 1 1 26 26 ASP C C 13 179.9 0.3 . 1 . . . . . . . . 4880 1 326 . 1 1 26 26 ASP CA C 13 57.6 0.3 . 1 . . . . . . . . 4880 1 327 . 1 1 26 26 ASP CB C 13 39.8 0.3 . 1 . . . . . . . . 4880 1 328 . 1 1 26 26 ASP N N 15 118.9 0.3 . 1 . . . . . . . . 4880 1 329 . 1 1 27 27 GLY H H 1 7.97 0.03 . 1 . . . . . . . . 4880 1 330 . 1 1 27 27 GLY HA2 H 1 4.06 0.04 . 2 . . . . . . . . 4880 1 331 . 1 1 27 27 GLY HA3 H 1 3.98 0.03 . 2 . . . . . . . . 4880 1 332 . 1 1 27 27 GLY C C 13 174.3 0.3 . 1 . . . . . . . . 4880 1 333 . 1 1 27 27 GLY CA C 13 46.2 0.3 . 1 . . . . . . . . 4880 1 334 . 1 1 27 27 GLY N N 15 106.1 0.3 . 1 . . . . . . . . 4880 1 335 . 1 1 28 28 LEU H H 1 7.31 0.03 . 1 . . . . . . . . 4880 1 336 . 1 1 28 28 LEU HA H 1 4.61 0.03 . 1 . . . . . . . . 4880 1 337 . 1 1 28 28 LEU HB2 H 1 1.71 0.03 . 2 . . . . . . . . 4880 1 338 . 1 1 28 28 LEU HB3 H 1 1.25 0.03 . 2 . . . . . . . . 4880 1 339 . 1 1 28 28 LEU HG H 1 1.63 0.03 . 1 . . . . . . . . 4880 1 340 . 1 1 28 28 LEU HD11 H 1 0.24 0.03 . 2 . . . . . . . . 4880 1 341 . 1 1 28 28 LEU HD12 H 1 0.24 0.03 . 2 . . . . . . . . 4880 1 342 . 1 1 28 28 LEU HD13 H 1 0.24 0.03 . 2 . . . . . . . . 4880 1 343 . 1 1 28 28 LEU HD21 H 1 0.40 0.03 . 2 . . . . . . . . 4880 1 344 . 1 1 28 28 LEU HD22 H 1 0.40 0.03 . 2 . . . . . . . . 4880 1 345 . 1 1 28 28 LEU HD23 H 1 0.40 0.03 . 2 . . . . . . . . 4880 1 346 . 1 1 28 28 LEU C C 13 179.4 0.3 . 1 . . . . . . . . 4880 1 347 . 1 1 28 28 LEU CA C 13 53.7 0.3 . 1 . . . . . . . . 4880 1 348 . 1 1 28 28 LEU CB C 13 43.1 0.3 . 1 . . . . . . . . 4880 1 349 . 1 1 28 28 LEU CG C 13 25.3 0.3 . 1 . . . . . . . . 4880 1 350 . 1 1 28 28 LEU CD1 C 13 26.1 0.3 . 2 . . . . . . . . 4880 1 351 . 1 1 28 28 LEU CD2 C 13 21.7 0.3 . 2 . . . . . . . . 4880 1 352 . 1 1 28 28 LEU N N 15 116.9 0.3 . 1 . . . . . . . . 4880 1 353 . 1 1 29 29 LYS H H 1 7.22 0.03 . 1 . . . . . . . . 4880 1 354 . 1 1 29 29 LYS HA H 1 3.77 0.03 . 1 . . . . . . . . 4880 1 355 . 1 1 29 29 LYS HB2 H 1 1.97 0.05 . 2 . . . . . . . . 4880 1 356 . 1 1 29 29 LYS HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4880 1 357 . 1 1 29 29 LYS HG2 H 1 1.85 0.03 . 2 . . . . . . . . 4880 1 358 . 1 1 29 29 LYS HG3 H 1 1.26 0.05 . 2 . . . . . . . . 4880 1 359 . 1 1 29 29 LYS HD2 H 1 1.65 0.05 . 2 . . . . . . . . 4880 1 360 . 1 1 29 29 LYS HD3 H 1 1.63 0.03 . 2 . . . . . . . . 4880 1 361 . 1 1 29 29 LYS HE2 H 1 3.13 0.03 . 2 . . . . . . . . 4880 1 362 . 1 1 29 29 LYS HE3 H 1 2.67 0.03 . 2 . . . . . . . . 4880 1 363 . 1 1 29 29 LYS C C 13 174.0 0.3 . 1 . . . . . . . . 4880 1 364 . 1 1 29 29 LYS CA C 13 60.9 0.3 . 1 . . . . . . . . 4880 1 365 . 1 1 29 29 LYS CB C 13 33.7 0.3 . 1 . . . . . . . . 4880 1 366 . 1 1 29 29 LYS CG C 13 27.2 0.3 . 1 . . . . . . . . 4880 1 367 . 1 1 29 29 LYS CD C 13 30.0 0.3 . 1 . . . . . . . . 4880 1 368 . 1 1 29 29 LYS CE C 13 41.9 0.3 . 1 . . . . . . . . 4880 1 369 . 1 1 29 29 LYS N N 15 121.2 0.3 . 1 . . . . . . . . 4880 1 370 . 1 1 30 30 ASP H H 1 8.08 0.03 . 1 . . . . . . . . 4880 1 371 . 1 1 30 30 ASP HA H 1 4.48 0.03 . 1 . . . . . . . . 4880 1 372 . 1 1 30 30 ASP HB2 H 1 3.18 0.03 . 2 . . . . . . . . 4880 1 373 . 1 1 30 30 ASP HB3 H 1 2.66 0.03 . 2 . . . . . . . . 4880 1 374 . 1 1 30 30 ASP C C 13 177.4 0.3 . 1 . . . . . . . . 4880 1 375 . 1 1 30 30 ASP CA C 13 53.7 0.3 . 1 . . . . . . . . 4880 1 376 . 1 1 30 30 ASP CB C 13 40.3 0.3 . 1 . . . . . . . . 4880 1 377 . 1 1 30 30 ASP N N 15 110.9 0.3 . 1 . . . . . . . . 4880 1 378 . 1 1 31 31 GLY H H 1 7.86 0.03 . 1 . . . . . . . . 4880 1 379 . 1 1 31 31 GLY HA2 H 1 4.14 0.03 . 2 . . . . . . . . 4880 1 380 . 1 1 31 31 GLY HA3 H 1 3.51 0.03 . 2 . . . . . . . . 4880 1 381 . 1 1 31 31 GLY C C 13 174.1 0.3 . 1 . . . . . . . . 4880 1 382 . 1 1 31 31 GLY CA C 13 47.4 0.3 . 1 . . . . . . . . 4880 1 383 . 1 1 31 31 GLY N N 15 104.7 0.3 . 1 . . . . . . . . 4880 1 384 . 1 1 32 32 VAL H H 1 8.51 0.03 . 1 . . . . . . . . 4880 1 385 . 1 1 32 32 VAL HA H 1 3.30 0.03 . 1 . . . . . . . . 4880 1 386 . 1 1 32 32 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 4880 1 387 . 1 1 32 32 VAL HG11 H 1 0.80 0.04 . 2 . . . . . . . . 4880 1 388 . 1 1 32 32 VAL HG12 H 1 0.80 0.04 . 2 . . . . . . . . 4880 1 389 . 1 1 32 32 VAL HG13 H 1 0.80 0.04 . 2 . . . . . . . . 4880 1 390 . 1 1 32 32 VAL HG21 H 1 0.77 0.03 . 2 . . . . . . . . 4880 1 391 . 1 1 32 32 VAL HG22 H 1 0.77 0.03 . 2 . . . . . . . . 4880 1 392 . 1 1 32 32 VAL HG23 H 1 0.77 0.03 . 2 . . . . . . . . 4880 1 393 . 1 1 32 32 VAL C C 13 177.4 0.3 . 1 . . . . . . . . 4880 1 394 . 1 1 32 32 VAL CA C 13 67.8 0.3 . 1 . . . . . . . . 4880 1 395 . 1 1 32 32 VAL CB C 13 31.4 0.3 . 1 . . . . . . . . 4880 1 396 . 1 1 32 32 VAL CG1 C 13 22.5 0.3 . 2 . . . . . . . . 4880 1 397 . 1 1 32 32 VAL CG2 C 13 20.5 0.3 . 2 . . . . . . . . 4880 1 398 . 1 1 32 32 VAL N N 15 122.8 0.3 . 1 . . . . . . . . 4880 1 399 . 1 1 33 33 ILE H H 1 8.03 0.04 . 1 . . . . . . . . 4880 1 400 . 1 1 33 33 ILE HA H 1 3.34 0.03 . 1 . . . . . . . . 4880 1 401 . 1 1 33 33 ILE HB H 1 1.57 0.03 . 1 . . . . . . . . 4880 1 402 . 1 1 33 33 ILE HG12 H 1 1.83 0.03 . 2 . . . . . . . . 4880 1 403 . 1 1 33 33 ILE HG13 H 1 0.66 0.03 . 2 . . . . . . . . 4880 1 404 . 1 1 33 33 ILE HG21 H 1 0.50 0.03 . 1 . . . . . . . . 4880 1 405 . 1 1 33 33 ILE HG22 H 1 0.50 0.03 . 1 . . . . . . . . 4880 1 406 . 1 1 33 33 ILE HG23 H 1 0.50 0.03 . 1 . . . . . . . . 4880 1 407 . 1 1 33 33 ILE HD11 H 1 0.67 0.03 . 1 . . . . . . . . 4880 1 408 . 1 1 33 33 ILE HD12 H 1 0.67 0.03 . 1 . . . . . . . . 4880 1 409 . 1 1 33 33 ILE HD13 H 1 0.67 0.03 . 1 . . . . . . . . 4880 1 410 . 1 1 33 33 ILE C C 13 177.6 0.3 . 1 . . . . . . . . 4880 1 411 . 1 1 33 33 ILE CA C 13 66.5 0.3 . 1 . . . . . . . . 4880 1 412 . 1 1 33 33 ILE CB C 13 37.1 0.3 . 1 . . . . . . . . 4880 1 413 . 1 1 33 33 ILE CG1 C 13 31.0 0.3 . 1 . . . . . . . . 4880 1 414 . 1 1 33 33 ILE CG2 C 13 17.7 0.3 . 1 . . . . . . . . 4880 1 415 . 1 1 33 33 ILE CD1 C 13 14.3 0.4 . 1 . . . . . . . . 4880 1 416 . 1 1 33 33 ILE N N 15 117.8 0.3 . 1 . . . . . . . . 4880 1 417 . 1 1 34 34 LEU H H 1 8.59 0.04 . 1 . . . . . . . . 4880 1 418 . 1 1 34 34 LEU HA H 1 3.55 0.04 . 1 . . . . . . . . 4880 1 419 . 1 1 34 34 LEU HB2 H 1 1.05 0.03 . 2 . . . . . . . . 4880 1 420 . 1 1 34 34 LEU HB3 H 1 -0.19 0.03 . 2 . . . . . . . . 4880 1 421 . 1 1 34 34 LEU HG H 1 1.72 0.03 . 1 . . . . . . . . 4880 1 422 . 1 1 34 34 LEU HD11 H 1 0.55 0.04 . 2 . . . . . . . . 4880 1 423 . 1 1 34 34 LEU HD12 H 1 0.55 0.04 . 2 . . . . . . . . 4880 1 424 . 1 1 34 34 LEU HD13 H 1 0.55 0.04 . 2 . . . . . . . . 4880 1 425 . 1 1 34 34 LEU HD21 H 1 0.36 0.03 . 2 . . . . . . . . 4880 1 426 . 1 1 34 34 LEU HD22 H 1 0.36 0.03 . 2 . . . . . . . . 4880 1 427 . 1 1 34 34 LEU HD23 H 1 0.36 0.03 . 2 . . . . . . . . 4880 1 428 . 1 1 34 34 LEU C C 13 178.5 0.3 . 1 . . . . . . . . 4880 1 429 . 1 1 34 34 LEU CA C 13 57.8 0.3 . 1 . . . . . . . . 4880 1 430 . 1 1 34 34 LEU CB C 13 38.7 0.3 . 1 . . . . . . . . 4880 1 431 . 1 1 34 34 LEU CG C 13 25.6 0.3 . 1 . . . . . . . . 4880 1 432 . 1 1 34 34 LEU CD1 C 13 25.5 0.3 . 2 . . . . . . . . 4880 1 433 . 1 1 34 34 LEU CD2 C 13 22.1 0.3 . 2 . . . . . . . . 4880 1 434 . 1 1 34 34 LEU N N 15 117.9 0.3 . 1 . . . . . . . . 4880 1 435 . 1 1 35 35 CYS H H 1 7.72 0.04 . 1 . . . . . . . . 4880 1 436 . 1 1 35 35 CYS HA H 1 4.22 0.04 . 1 . . . . . . . . 4880 1 437 . 1 1 35 35 CYS HB2 H 1 3.15 0.04 . 2 . . . . . . . . 4880 1 438 . 1 1 35 35 CYS HB3 H 1 2.24 0.03 . 2 . . . . . . . . 4880 1 439 . 1 1 35 35 CYS C C 13 176.6 0.3 . 1 . . . . . . . . 4880 1 440 . 1 1 35 35 CYS CA C 13 65.9 0.3 . 1 . . . . . . . . 4880 1 441 . 1 1 35 35 CYS CB C 13 28.7 0.3 . 1 . . . . . . . . 4880 1 442 . 1 1 35 35 CYS N N 15 116.4 0.3 . 1 . . . . . . . . 4880 1 443 . 1 1 36 36 GLU H H 1 8.47 0.03 . 1 . . . . . . . . 4880 1 444 . 1 1 36 36 GLU HA H 1 4.01 0.03 . 1 . . . . . . . . 4880 1 445 . 1 1 36 36 GLU HB2 H 1 2.08 0.03 . 2 . . . . . . . . 4880 1 446 . 1 1 36 36 GLU HB3 H 1 1.92 0.04 . 2 . . . . . . . . 4880 1 447 . 1 1 36 36 GLU HG2 H 1 2.44 0.03 . 2 . . . . . . . . 4880 1 448 . 1 1 36 36 GLU HG3 H 1 2.19 0.03 . 2 . . . . . . . . 4880 1 449 . 1 1 36 36 GLU C C 13 179.5 0.3 . 1 . . . . . . . . 4880 1 450 . 1 1 36 36 GLU CA C 13 59.6 0.3 . 1 . . . . . . . . 4880 1 451 . 1 1 36 36 GLU CB C 13 28.8 0.3 . 1 . . . . . . . . 4880 1 452 . 1 1 36 36 GLU CG C 13 36.7 0.3 . 1 . . . . . . . . 4880 1 453 . 1 1 36 36 GLU N N 15 118.6 0.3 . 1 . . . . . . . . 4880 1 454 . 1 1 37 37 LEU H H 1 8.69 0.04 . 1 . . . . . . . . 4880 1 455 . 1 1 37 37 LEU HA H 1 3.68 0.04 . 1 . . . . . . . . 4880 1 456 . 1 1 37 37 LEU HB2 H 1 2.34 0.03 . 2 . . . . . . . . 4880 1 457 . 1 1 37 37 LEU HB3 H 1 1.09 0.03 . 2 . . . . . . . . 4880 1 458 . 1 1 37 37 LEU HG H 1 1.19 0.03 . 1 . . . . . . . . 4880 1 459 . 1 1 37 37 LEU HD11 H 1 0.59 0.04 . 2 . . . . . . . . 4880 1 460 . 1 1 37 37 LEU HD12 H 1 0.59 0.04 . 2 . . . . . . . . 4880 1 461 . 1 1 37 37 LEU HD13 H 1 0.59 0.04 . 2 . . . . . . . . 4880 1 462 . 1 1 37 37 LEU HD21 H 1 0.16 0.04 . 2 . . . . . . . . 4880 1 463 . 1 1 37 37 LEU HD22 H 1 0.16 0.04 . 2 . . . . . . . . 4880 1 464 . 1 1 37 37 LEU HD23 H 1 0.16 0.04 . 2 . . . . . . . . 4880 1 465 . 1 1 37 37 LEU C C 13 178.1 0.3 . 1 . . . . . . . . 4880 1 466 . 1 1 37 37 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 4880 1 467 . 1 1 37 37 LEU CB C 13 42.4 0.3 . 1 . . . . . . . . 4880 1 468 . 1 1 37 37 LEU CG C 13 27.1 0.3 . 1 . . . . . . . . 4880 1 469 . 1 1 37 37 LEU CD1 C 13 26.8 0.3 . 2 . . . . . . . . 4880 1 470 . 1 1 37 37 LEU CD2 C 13 22.2 0.3 . 2 . . . . . . . . 4880 1 471 . 1 1 37 37 LEU N N 15 121.3 0.3 . 1 . . . . . . . . 4880 1 472 . 1 1 38 38 ILE H H 1 8.16 0.03 . 1 . . . . . . . . 4880 1 473 . 1 1 38 38 ILE HA H 1 4.30 0.03 . 1 . . . . . . . . 4880 1 474 . 1 1 38 38 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 4880 1 475 . 1 1 38 38 ILE HG12 H 1 1.51 0.03 . 2 . . . . . . . . 4880 1 476 . 1 1 38 38 ILE HG13 H 1 1.17 0.03 . 2 . . . . . . . . 4880 1 477 . 1 1 38 38 ILE HG21 H 1 1.33 0.04 . 1 . . . . . . . . 4880 1 478 . 1 1 38 38 ILE HG22 H 1 1.33 0.04 . 1 . . . . . . . . 4880 1 479 . 1 1 38 38 ILE HG23 H 1 1.33 0.04 . 1 . . . . . . . . 4880 1 480 . 1 1 38 38 ILE HD11 H 1 0.57 0.03 . 1 . . . . . . . . 4880 1 481 . 1 1 38 38 ILE HD12 H 1 0.57 0.03 . 1 . . . . . . . . 4880 1 482 . 1 1 38 38 ILE HD13 H 1 0.57 0.03 . 1 . . . . . . . . 4880 1 483 . 1 1 38 38 ILE C C 13 175.8 0.3 . 1 . . . . . . . . 4880 1 484 . 1 1 38 38 ILE CA C 13 60.0 0.3 . 1 . . . . . . . . 4880 1 485 . 1 1 38 38 ILE CB C 13 39.0 0.3 . 1 . . . . . . . . 4880 1 486 . 1 1 38 38 ILE CG1 C 13 29.9 0.3 . 1 . . . . . . . . 4880 1 487 . 1 1 38 38 ILE CG2 C 13 21.4 0.3 . 1 . . . . . . . . 4880 1 488 . 1 1 38 38 ILE CD1 C 13 15.4 0.4 . 1 . . . . . . . . 4880 1 489 . 1 1 38 38 ILE N N 15 116.7 0.3 . 1 . . . . . . . . 4880 1 490 . 1 1 39 39 ASN H H 1 7.85 0.03 . 1 . . . . . . . . 4880 1 491 . 1 1 39 39 ASN HA H 1 4.99 0.03 . 1 . . . . . . . . 4880 1 492 . 1 1 39 39 ASN HB2 H 1 2.82 0.05 . 2 . . . . . . . . 4880 1 493 . 1 1 39 39 ASN HB3 H 1 2.80 0.05 . 2 . . . . . . . . 4880 1 494 . 1 1 39 39 ASN HD21 H 1 7.45 0.05 . 2 . . . . . . . . 4880 1 495 . 1 1 39 39 ASN HD22 H 1 7.39 0.04 . 2 . . . . . . . . 4880 1 496 . 1 1 39 39 ASN C C 13 178.3 0.3 . 1 . . . . . . . . 4880 1 497 . 1 1 39 39 ASN CA C 13 54.2 0.3 . 1 . . . . . . . . 4880 1 498 . 1 1 39 39 ASN CB C 13 37.8 0.3 . 1 . . . . . . . . 4880 1 499 . 1 1 39 39 ASN CG C 13 175.6 0.3 . 1 . . . . . . . . 4880 1 500 . 1 1 39 39 ASN N N 15 121.8 0.3 . 1 . . . . . . . . 4880 1 501 . 1 1 39 39 ASN ND2 N 15 107.21 0.3 . 1 . . . . . . . . 4880 1 502 . 1 1 40 40 LYS H H 1 7.76 0.03 . 1 . . . . . . . . 4880 1 503 . 1 1 40 40 LYS HA H 1 4.21 0.03 . 1 . . . . . . . . 4880 1 504 . 1 1 40 40 LYS HB2 H 1 2.03 0.05 . 2 . . . . . . . . 4880 1 505 . 1 1 40 40 LYS HB3 H 1 1.98 0.04 . 2 . . . . . . . . 4880 1 506 . 1 1 40 40 LYS HG2 H 1 1.70 0.03 . 2 . . . . . . . . 4880 1 507 . 1 1 40 40 LYS HG3 H 1 1.39 0.03 . 2 . . . . . . . . 4880 1 508 . 1 1 40 40 LYS HD2 H 1 1.76 0.03 . 2 . . . . . . . . 4880 1 509 . 1 1 40 40 LYS HD3 H 1 1.75 0.03 . 2 . . . . . . . . 4880 1 510 . 1 1 40 40 LYS HE2 H 1 3.09 0.03 . 1 . . . . . . . . 4880 1 511 . 1 1 40 40 LYS HE3 H 1 3.09 0.03 . 1 . . . . . . . . 4880 1 512 . 1 1 40 40 LYS C C 13 178.9 0.3 . 1 . . . . . . . . 4880 1 513 . 1 1 40 40 LYS CA C 13 57.0 0.3 . 1 . . . . . . . . 4880 1 514 . 1 1 40 40 LYS CB C 13 31.4 0.3 . 1 . . . . . . . . 4880 1 515 . 1 1 40 40 LYS CG C 13 24.1 0.3 . 1 . . . . . . . . 4880 1 516 . 1 1 40 40 LYS CD C 13 28.2 0.3 . 1 . . . . . . . . 4880 1 517 . 1 1 40 40 LYS CE C 13 42.2 0.3 . 1 . . . . . . . . 4880 1 518 . 1 1 40 40 LYS N N 15 120.6 0.3 . 1 . . . . . . . . 4880 1 519 . 1 1 41 41 LEU H H 1 7.58 0.03 . 1 . . . . . . . . 4880 1 520 . 1 1 41 41 LEU HA H 1 4.21 0.03 . 1 . . . . . . . . 4880 1 521 . 1 1 41 41 LEU HB2 H 1 1.61 0.03 . 2 . . . . . . . . 4880 1 522 . 1 1 41 41 LEU HB3 H 1 1.50 0.03 . 2 . . . . . . . . 4880 1 523 . 1 1 41 41 LEU HG H 1 1.98 0.03 . 1 . . . . . . . . 4880 1 524 . 1 1 41 41 LEU HD11 H 1 0.87 0.03 . 2 . . . . . . . . 4880 1 525 . 1 1 41 41 LEU HD12 H 1 0.87 0.03 . 2 . . . . . . . . 4880 1 526 . 1 1 41 41 LEU HD13 H 1 0.87 0.03 . 2 . . . . . . . . 4880 1 527 . 1 1 41 41 LEU HD21 H 1 1.08 0.03 . 2 . . . . . . . . 4880 1 528 . 1 1 41 41 LEU HD22 H 1 1.08 0.03 . 2 . . . . . . . . 4880 1 529 . 1 1 41 41 LEU HD23 H 1 1.08 0.03 . 2 . . . . . . . . 4880 1 530 . 1 1 41 41 LEU C C 13 178.0 0.3 . 1 . . . . . . . . 4880 1 531 . 1 1 41 41 LEU CA C 13 56.9 0.3 . 1 . . . . . . . . 4880 1 532 . 1 1 41 41 LEU CB C 13 41.5 0.3 . 1 . . . . . . . . 4880 1 533 . 1 1 41 41 LEU CG C 13 27.0 0.3 . 1 . . . . . . . . 4880 1 534 . 1 1 41 41 LEU CD1 C 13 25.1 0.3 . 2 . . . . . . . . 4880 1 535 . 1 1 41 41 LEU CD2 C 13 22.2 0.3 . 2 . . . . . . . . 4880 1 536 . 1 1 41 41 LEU N N 15 118.6 0.3 . 1 . . . . . . . . 4880 1 537 . 1 1 42 42 GLN H H 1 8.79 0.03 . 1 . . . . . . . . 4880 1 538 . 1 1 42 42 GLN HA H 1 4.73 0.03 . 1 . . . . . . . . 4880 1 539 . 1 1 42 42 GLN HB2 H 1 2.00 0.04 . 2 . . . . . . . . 4880 1 540 . 1 1 42 42 GLN HB3 H 1 1.96 0.05 . 2 . . . . . . . . 4880 1 541 . 1 1 42 42 GLN HG2 H 1 2.39 0.03 . 2 . . . . . . . . 4880 1 542 . 1 1 42 42 GLN HG3 H 1 2.17 0.04 . 2 . . . . . . . . 4880 1 543 . 1 1 42 42 GLN HE21 H 1 7.73 0.03 . 2 . . . . . . . . 4880 1 544 . 1 1 42 42 GLN HE22 H 1 6.86 0.03 . 2 . . . . . . . . 4880 1 545 . 1 1 42 42 GLN CA C 13 53.2 0.3 . 1 . . . . . . . . 4880 1 546 . 1 1 42 42 GLN CB C 13 30.0 0.3 . 1 . . . . . . . . 4880 1 547 . 1 1 42 42 GLN CG C 13 34.8 0.3 . 1 . . . . . . . . 4880 1 548 . 1 1 42 42 GLN CD C 13 180.3 0.3 . 1 . . . . . . . . 4880 1 549 . 1 1 42 42 GLN N N 15 119.5 0.3 . 1 . . . . . . . . 4880 1 550 . 1 1 42 42 GLN NE2 N 15 110.9 0.3 . 1 . . . . . . . . 4880 1 551 . 1 1 43 43 PRO HA H 1 4.83 0.03 . 1 . . . . . . . . 4880 1 552 . 1 1 43 43 PRO HB2 H 1 2.36 0.03 . 2 . . . . . . . . 4880 1 553 . 1 1 43 43 PRO HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4880 1 554 . 1 1 43 43 PRO HG2 H 1 2.17 0.05 . 2 . . . . . . . . 4880 1 555 . 1 1 43 43 PRO HG3 H 1 2.13 0.04 . 2 . . . . . . . . 4880 1 556 . 1 1 43 43 PRO HD2 H 1 3.71 0.03 . 2 . . . . . . . . 4880 1 557 . 1 1 43 43 PRO HD3 H 1 3.49 0.04 . 2 . . . . . . . . 4880 1 558 . 1 1 43 43 PRO C C 13 177.9 0.3 . 1 . . . . . . . . 4880 1 559 . 1 1 43 43 PRO CA C 13 64.6 0.3 . 1 . . . . . . . . 4880 1 560 . 1 1 43 43 PRO CB C 13 32.0 0.3 . 1 . . . . . . . . 4880 1 561 . 1 1 43 43 PRO CG C 13 27.5 0.3 . 1 . . . . . . . . 4880 1 562 . 1 1 43 43 PRO CD C 13 50.4 0.3 . 1 . . . . . . . . 4880 1 563 . 1 1 44 44 GLY H H 1 8.78 0.03 . 1 . . . . . . . . 4880 1 564 . 1 1 44 44 GLY HA2 H 1 4.14 0.03 . 2 . . . . . . . . 4880 1 565 . 1 1 44 44 GLY HA3 H 1 3.64 0.03 . 2 . . . . . . . . 4880 1 566 . 1 1 44 44 GLY C C 13 174.4 0.3 . 1 . . . . . . . . 4880 1 567 . 1 1 44 44 GLY CA C 13 45.0 0.3 . 1 . . . . . . . . 4880 1 568 . 1 1 44 44 GLY N N 15 111.9 0.3 . 1 . . . . . . . . 4880 1 569 . 1 1 45 45 SER H H 1 8.04 0.03 . 1 . . . . . . . . 4880 1 570 . 1 1 45 45 SER HA H 1 4.17 0.03 . 1 . . . . . . . . 4880 1 571 . 1 1 45 45 SER HB2 H 1 4.12 0.04 . 2 . . . . . . . . 4880 1 572 . 1 1 45 45 SER HB3 H 1 3.72 0.03 . 2 . . . . . . . . 4880 1 573 . 1 1 45 45 SER HG H 1 6.48 0.04 . 1 . . . . . . . . 4880 1 574 . 1 1 45 45 SER C C 13 174.6 0.3 . 1 . . . . . . . . 4880 1 575 . 1 1 45 45 SER CA C 13 63.3 0.3 . 1 . . . . . . . . 4880 1 576 . 1 1 45 45 SER CB C 13 63.9 0.3 . 1 . . . . . . . . 4880 1 577 . 1 1 45 45 SER N N 15 118.3 0.3 . 1 . . . . . . . . 4880 1 578 . 1 1 46 46 VAL H H 1 9.49 0.03 . 1 . . . . . . . . 4880 1 579 . 1 1 46 46 VAL HA H 1 4.21 0.03 . 1 . . . . . . . . 4880 1 580 . 1 1 46 46 VAL HB H 1 1.87 0.03 . 1 . . . . . . . . 4880 1 581 . 1 1 46 46 VAL HG11 H 1 0.93 0.03 . 2 . . . . . . . . 4880 1 582 . 1 1 46 46 VAL HG12 H 1 0.93 0.03 . 2 . . . . . . . . 4880 1 583 . 1 1 46 46 VAL HG13 H 1 0.93 0.03 . 2 . . . . . . . . 4880 1 584 . 1 1 46 46 VAL HG21 H 1 0.77 0.03 . 2 . . . . . . . . 4880 1 585 . 1 1 46 46 VAL HG22 H 1 0.77 0.03 . 2 . . . . . . . . 4880 1 586 . 1 1 46 46 VAL HG23 H 1 0.77 0.03 . 2 . . . . . . . . 4880 1 587 . 1 1 46 46 VAL CA C 13 62.1 0.3 . 1 . . . . . . . . 4880 1 588 . 1 1 46 46 VAL CB C 13 33.1 0.3 . 1 . . . . . . . . 4880 1 589 . 1 1 46 46 VAL CG1 C 13 22.5 0.3 . 2 . . . . . . . . 4880 1 590 . 1 1 46 46 VAL CG2 C 13 21.2 0.3 . 2 . . . . . . . . 4880 1 591 . 1 1 46 46 VAL N N 15 122.5 0.3 . 1 . . . . . . . . 4880 1 592 . 1 1 47 47 GLN HA H 1 3.91 0.03 . 1 . . . . . . . . 4880 1 593 . 1 1 47 47 GLN HB2 H 1 2.11 0.03 . 2 . . . . . . . . 4880 1 594 . 1 1 47 47 GLN HB3 H 1 2.02 0.03 . 2 . . . . . . . . 4880 1 595 . 1 1 47 47 GLN HG2 H 1 2.43 0.05 . 2 . . . . . . . . 4880 1 596 . 1 1 47 47 GLN HG3 H 1 2.38 0.05 . 2 . . . . . . . . 4880 1 597 . 1 1 47 47 GLN HE21 H 1 7.63 0.03 . 2 . . . . . . . . 4880 1 598 . 1 1 47 47 GLN HE22 H 1 6.92 0.03 . 2 . . . . . . . . 4880 1 599 . 1 1 47 47 GLN C C 13 175.4 0.3 . 1 . . . . . . . . 4880 1 600 . 1 1 47 47 GLN CA C 13 59.0 0.3 . 1 . . . . . . . . 4880 1 601 . 1 1 47 47 GLN CB C 13 29.0 0.3 . 1 . . . . . . . . 4880 1 602 . 1 1 47 47 GLN CG C 13 34.3 0.3 . 1 . . . . . . . . 4880 1 603 . 1 1 47 47 GLN CD C 13 180.2 0.3 . 1 . . . . . . . . 4880 1 604 . 1 1 47 47 GLN NE2 N 15 112.9 0.3 . 1 . . . . . . . . 4880 1 605 . 1 1 48 48 LYS H H 1 7.94 0.03 . 1 . . . . . . . . 4880 1 606 . 1 1 48 48 LYS HA H 1 4.47 0.03 . 1 . . . . . . . . 4880 1 607 . 1 1 48 48 LYS HB2 H 1 1.75 0.03 . 2 . . . . . . . . 4880 1 608 . 1 1 48 48 LYS HB3 H 1 1.62 0.03 . 2 . . . . . . . . 4880 1 609 . 1 1 48 48 LYS HG2 H 1 1.27 0.03 . 2 . . . . . . . . 4880 1 610 . 1 1 48 48 LYS HG3 H 1 1.12 0.03 . 2 . . . . . . . . 4880 1 611 . 1 1 48 48 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4880 1 612 . 1 1 48 48 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 4880 1 613 . 1 1 48 48 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 4880 1 614 . 1 1 48 48 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4880 1 615 . 1 1 48 48 LYS C C 13 173.9 0.3 . 1 . . . . . . . . 4880 1 616 . 1 1 48 48 LYS CA C 13 55.3 0.3 . 1 . . . . . . . . 4880 1 617 . 1 1 48 48 LYS CB C 13 34.6 0.3 . 1 . . . . . . . . 4880 1 618 . 1 1 48 48 LYS CG C 13 24.8 0.3 . 1 . . . . . . . . 4880 1 619 . 1 1 48 48 LYS CD C 13 29.2 0.3 . 1 . . . . . . . . 4880 1 620 . 1 1 48 48 LYS CE C 13 42.3 0.3 . 1 . . . . . . . . 4880 1 621 . 1 1 48 48 LYS N N 15 118.5 0.3 . 1 . . . . . . . . 4880 1 622 . 1 1 49 49 VAL H H 1 8.95 0.03 . 1 . . . . . . . . 4880 1 623 . 1 1 49 49 VAL HA H 1 3.71 0.03 . 1 . . . . . . . . 4880 1 624 . 1 1 49 49 VAL HB H 1 1.96 0.03 . 1 . . . . . . . . 4880 1 625 . 1 1 49 49 VAL HG11 H 1 0.91 0.03 . 2 . . . . . . . . 4880 1 626 . 1 1 49 49 VAL HG12 H 1 0.91 0.03 . 2 . . . . . . . . 4880 1 627 . 1 1 49 49 VAL HG13 H 1 0.91 0.03 . 2 . . . . . . . . 4880 1 628 . 1 1 49 49 VAL HG21 H 1 0.78 0.03 . 2 . . . . . . . . 4880 1 629 . 1 1 49 49 VAL HG22 H 1 0.78 0.03 . 2 . . . . . . . . 4880 1 630 . 1 1 49 49 VAL HG23 H 1 0.78 0.03 . 2 . . . . . . . . 4880 1 631 . 1 1 49 49 VAL C C 13 176.2 0.3 . 1 . . . . . . . . 4880 1 632 . 1 1 49 49 VAL CA C 13 62.3 0.3 . 1 . . . . . . . . 4880 1 633 . 1 1 49 49 VAL CB C 13 32.3 0.3 . 1 . . . . . . . . 4880 1 634 . 1 1 49 49 VAL CG1 C 13 22.12 0.3 . 2 . . . . . . . . 4880 1 635 . 1 1 49 49 VAL CG2 C 13 21.4 0.3 . 2 . . . . . . . . 4880 1 636 . 1 1 49 49 VAL N N 15 128.5 0.3 . 1 . . . . . . . . 4880 1 637 . 1 1 50 50 ASN H H 1 9.30 0.03 . 1 . . . . . . . . 4880 1 638 . 1 1 50 50 ASN HA H 1 4.46 0.03 . 1 . . . . . . . . 4880 1 639 . 1 1 50 50 ASN HB2 H 1 2.46 0.03 . 2 . . . . . . . . 4880 1 640 . 1 1 50 50 ASN HB3 H 1 2.20 0.03 . 2 . . . . . . . . 4880 1 641 . 1 1 50 50 ASN HD21 H 1 8.57 0.03 . 2 . . . . . . . . 4880 1 642 . 1 1 50 50 ASN HD22 H 1 6.83 0.03 . 2 . . . . . . . . 4880 1 643 . 1 1 50 50 ASN C C 13 176.0 0.3 . 1 . . . . . . . . 4880 1 644 . 1 1 50 50 ASN CA C 13 53.9 0.3 . 1 . . . . . . . . 4880 1 645 . 1 1 50 50 ASN CB C 13 39.7 0.3 . 1 . . . . . . . . 4880 1 646 . 1 1 50 50 ASN CG C 13 175.4 0.3 . 1 . . . . . . . . 4880 1 647 . 1 1 50 50 ASN N N 15 126.2 0.3 . 1 . . . . . . . . 4880 1 648 . 1 1 50 50 ASN ND2 N 15 117.0 0.3 . 1 . . . . . . . . 4880 1 649 . 1 1 51 51 ASP H H 1 8.57 0.03 . 1 . . . . . . . . 4880 1 650 . 1 1 51 51 ASP HA H 1 4.65 0.03 . 1 . . . . . . . . 4880 1 651 . 1 1 51 51 ASP HB2 H 1 2.58 0.05 . 2 . . . . . . . . 4880 1 652 . 1 1 51 51 ASP HB3 H 1 2.54 0.05 . 2 . . . . . . . . 4880 1 653 . 1 1 51 51 ASP CA C 13 52.4 0.3 . 1 . . . . . . . . 4880 1 654 . 1 1 51 51 ASP CB C 13 39.9 0.3 . 1 . . . . . . . . 4880 1 655 . 1 1 51 51 ASP N N 15 125.1 0.3 . 1 . . . . . . . . 4880 1 656 . 1 1 52 52 PRO HA H 1 4.34 0.03 . 1 . . . . . . . . 4880 1 657 . 1 1 52 52 PRO HB2 H 1 2.41 0.03 . 2 . . . . . . . . 4880 1 658 . 1 1 52 52 PRO HB3 H 1 1.62 0.03 . 2 . . . . . . . . 4880 1 659 . 1 1 52 52 PRO HG2 H 1 2.04 0.03 . 1 . . . . . . . . 4880 1 660 . 1 1 52 52 PRO HG3 H 1 2.04 0.03 . 1 . . . . . . . . 4880 1 661 . 1 1 52 52 PRO HD2 H 1 3.82 0.03 . 2 . . . . . . . . 4880 1 662 . 1 1 52 52 PRO HD3 H 1 3.66 0.03 . 2 . . . . . . . . 4880 1 663 . 1 1 52 52 PRO C C 13 174.2 0.3 . 1 . . . . . . . . 4880 1 664 . 1 1 52 52 PRO CA C 13 62.2 0.3 . 1 . . . . . . . . 4880 1 665 . 1 1 52 52 PRO CB C 13 31.1 0.4 . 1 . . . . . . . . 4880 1 666 . 1 1 52 52 PRO CG C 13 27.9 0.3 . 1 . . . . . . . . 4880 1 667 . 1 1 52 52 PRO CD C 13 50.5 0.3 . 1 . . . . . . . . 4880 1 668 . 1 1 53 53 VAL H H 1 8.49 0.03 . 1 . . . . . . . . 4880 1 669 . 1 1 53 53 VAL HA H 1 3.84 0.03 . 1 . . . . . . . . 4880 1 670 . 1 1 53 53 VAL HB H 1 2.02 0.03 . 1 . . . . . . . . 4880 1 671 . 1 1 53 53 VAL HG11 H 1 1.01 0.03 . 2 . . . . . . . . 4880 1 672 . 1 1 53 53 VAL HG12 H 1 1.01 0.03 . 2 . . . . . . . . 4880 1 673 . 1 1 53 53 VAL HG13 H 1 1.01 0.03 . 2 . . . . . . . . 4880 1 674 . 1 1 53 53 VAL HG21 H 1 0.80 0.03 . 2 . . . . . . . . 4880 1 675 . 1 1 53 53 VAL HG22 H 1 0.80 0.03 . 2 . . . . . . . . 4880 1 676 . 1 1 53 53 VAL HG23 H 1 0.80 0.03 . 2 . . . . . . . . 4880 1 677 . 1 1 53 53 VAL C C 13 177.4 0.3 . 1 . . . . . . . . 4880 1 678 . 1 1 53 53 VAL CA C 13 65.6 0.3 . 1 . . . . . . . . 4880 1 679 . 1 1 53 53 VAL CB C 13 33.3 0.3 . 1 . . . . . . . . 4880 1 680 . 1 1 53 53 VAL CG1 C 13 21.7 0.3 . 2 . . . . . . . . 4880 1 681 . 1 1 53 53 VAL CG2 C 13 21.6 0.3 . 2 . . . . . . . . 4880 1 682 . 1 1 53 53 VAL N N 15 126.3 0.3 . 1 . . . . . . . . 4880 1 683 . 1 1 54 54 GLN H H 1 9.94 0.04 . 1 . . . . . . . . 4880 1 684 . 1 1 54 54 GLN HA H 1 4.73 0.03 . 1 . . . . . . . . 4880 1 685 . 1 1 54 54 GLN HB2 H 1 2.00 0.03 . 2 . . . . . . . . 4880 1 686 . 1 1 54 54 GLN HB3 H 1 1.09 0.03 . 2 . . . . . . . . 4880 1 687 . 1 1 54 54 GLN HG2 H 1 2.41 0.03 . 1 . . . . . . . . 4880 1 688 . 1 1 54 54 GLN HG3 H 1 2.41 0.03 . 1 . . . . . . . . 4880 1 689 . 1 1 54 54 GLN HE21 H 1 7.63 0.03 . 2 . . . . . . . . 4880 1 690 . 1 1 54 54 GLN HE22 H 1 7.03 0.03 . 2 . . . . . . . . 4880 1 691 . 1 1 54 54 GLN CA C 13 53.5 0.3 . 1 . . . . . . . . 4880 1 692 . 1 1 54 54 GLN CB C 13 30.9 0.3 . 1 . . . . . . . . 4880 1 693 . 1 1 54 54 GLN CG C 13 33.6 0.3 . 1 . . . . . . . . 4880 1 694 . 1 1 54 54 GLN CD C 13 179.7 0.3 . 1 . . . . . . . . 4880 1 695 . 1 1 54 54 GLN N N 15 119.6 0.3 . 1 . . . . . . . . 4880 1 696 . 1 1 54 54 GLN NE2 N 15 111.9 0.3 . 1 . . . . . . . . 4880 1 697 . 1 1 55 55 ASN HA H 1 4.38 0.03 . 1 . . . . . . . . 4880 1 698 . 1 1 55 55 ASN HB2 H 1 3.09 0.03 . 2 . . . . . . . . 4880 1 699 . 1 1 55 55 ASN HB3 H 1 2.86 0.04 . 2 . . . . . . . . 4880 1 700 . 1 1 55 55 ASN HD21 H 1 7.95 0.03 . 2 . . . . . . . . 4880 1 701 . 1 1 55 55 ASN HD22 H 1 7.30 0.03 . 2 . . . . . . . . 4880 1 702 . 1 1 55 55 ASN C C 13 178.6 0.3 . 1 . . . . . . . . 4880 1 703 . 1 1 55 55 ASN CA C 13 57.0 0.3 . 1 . . . . . . . . 4880 1 704 . 1 1 55 55 ASN CB C 13 37.2 0.3 . 1 . . . . . . . . 4880 1 705 . 1 1 55 55 ASN CG C 13 175.8 0.3 . 1 . . . . . . . . 4880 1 706 . 1 1 55 55 ASN ND2 N 15 112.2 0.3 . 1 . . . . . . . . 4880 1 707 . 1 1 56 56 TRP H H 1 8.45 0.03 . 1 . . . . . . . . 4880 1 708 . 1 1 56 56 TRP HA H 1 4.31 0.04 . 1 . . . . . . . . 4880 1 709 . 1 1 56 56 TRP HB2 H 1 3.43 0.03 . 2 . . . . . . . . 4880 1 710 . 1 1 56 56 TRP HB3 H 1 3.12 0.03 . 2 . . . . . . . . 4880 1 711 . 1 1 56 56 TRP HD1 H 1 7.17 0.03 . 1 . . . . . . . . 4880 1 712 . 1 1 56 56 TRP HE1 H 1 9.82 0.03 . 1 . . . . . . . . 4880 1 713 . 1 1 56 56 TRP HE3 H 1 7.19 0.03 . 1 . . . . . . . . 4880 1 714 . 1 1 56 56 TRP HZ2 H 1 7.46 0.03 . 1 . . . . . . . . 4880 1 715 . 1 1 56 56 TRP HZ3 H 1 7.19 0.03 . 1 . . . . . . . . 4880 1 716 . 1 1 56 56 TRP HH2 H 1 7.27 0.03 . 1 . . . . . . . . 4880 1 717 . 1 1 56 56 TRP C C 13 178.6 0.3 . 1 . . . . . . . . 4880 1 718 . 1 1 56 56 TRP CA C 13 60.3 0.3 . 1 . . . . . . . . 4880 1 719 . 1 1 56 56 TRP CB C 13 27.1 0.3 . 1 . . . . . . . . 4880 1 720 . 1 1 56 56 TRP CD1 C 13 127.1 0.3 . 1 . . . . . . . . 4880 1 721 . 1 1 56 56 TRP CE3 C 13 119.9 0.3 . 1 . . . . . . . . 4880 1 722 . 1 1 56 56 TRP CZ2 C 13 114.6 0.3 . 1 . . . . . . . . 4880 1 723 . 1 1 56 56 TRP CZ3 C 13 121.9 0.3 . 1 . . . . . . . . 4880 1 724 . 1 1 56 56 TRP CH2 C 13 124.2 0.3 . 1 . . . . . . . . 4880 1 725 . 1 1 56 56 TRP N N 15 117.0 0.3 . 1 . . . . . . . . 4880 1 726 . 1 1 56 56 TRP NE1 N 15 129.5 0.3 . 1 . . . . . . . . 4880 1 727 . 1 1 57 57 HIS H H 1 6.60 0.03 . 1 . . . . . . . . 4880 1 728 . 1 1 57 57 HIS HA H 1 3.77 0.03 . 1 . . . . . . . . 4880 1 729 . 1 1 57 57 HIS HB2 H 1 3.40 0.03 . 2 . . . . . . . . 4880 1 730 . 1 1 57 57 HIS HB3 H 1 2.77 0.03 . 2 . . . . . . . . 4880 1 731 . 1 1 57 57 HIS HD2 H 1 5.87 0.03 . 1 . . . . . . . . 4880 1 732 . 1 1 57 57 HIS HE1 H 1 7.60 0.03 . 1 . . . . . . . . 4880 1 733 . 1 1 57 57 HIS C C 13 178.5 0.3 . 1 . . . . . . . . 4880 1 734 . 1 1 57 57 HIS CA C 13 59.9 0.3 . 1 . . . . . . . . 4880 1 735 . 1 1 57 57 HIS CB C 13 33.4 0.3 . 1 . . . . . . . . 4880 1 736 . 1 1 57 57 HIS CD2 C 13 115.2 0.3 . 1 . . . . . . . . 4880 1 737 . 1 1 57 57 HIS CE1 C 13 136.1 0.3 . 1 . . . . . . . . 4880 1 738 . 1 1 57 57 HIS N N 15 121.0 0.3 . 1 . . . . . . . . 4880 1 739 . 1 1 58 58 LYS H H 1 7.18 0.03 . 1 . . . . . . . . 4880 1 740 . 1 1 58 58 LYS HA H 1 4.17 0.03 . 1 . . . . . . . . 4880 1 741 . 1 1 58 58 LYS HB2 H 1 2.43 0.04 . 2 . . . . . . . . 4880 1 742 . 1 1 58 58 LYS HB3 H 1 2.21 0.04 . 2 . . . . . . . . 4880 1 743 . 1 1 58 58 LYS HG2 H 1 1.74 0.03 . 2 . . . . . . . . 4880 1 744 . 1 1 58 58 LYS HG3 H 1 1.42 0.03 . 2 . . . . . . . . 4880 1 745 . 1 1 58 58 LYS HD2 H 1 1.93 0.05 . 2 . . . . . . . . 4880 1 746 . 1 1 58 58 LYS HD3 H 1 1.90 0.04 . 2 . . . . . . . . 4880 1 747 . 1 1 58 58 LYS HE2 H 1 2.99 0.03 . 2 . . . . . . . . 4880 1 748 . 1 1 58 58 LYS HE3 H 1 2.81 0.03 . 2 . . . . . . . . 4880 1 749 . 1 1 58 58 LYS C C 13 178.3 0.3 . 1 . . . . . . . . 4880 1 750 . 1 1 58 58 LYS CA C 13 59.1 0.3 . 1 . . . . . . . . 4880 1 751 . 1 1 58 58 LYS CB C 13 32.9 0.3 . 1 . . . . . . . . 4880 1 752 . 1 1 58 58 LYS CG C 13 26.6 0.3 . 1 . . . . . . . . 4880 1 753 . 1 1 58 58 LYS CD C 13 30.3 0.3 . 1 . . . . . . . . 4880 1 754 . 1 1 58 58 LYS CE C 13 42.8 0.3 . 1 . . . . . . . . 4880 1 755 . 1 1 58 58 LYS N N 15 118.6 0.3 . 1 . . . . . . . . 4880 1 756 . 1 1 59 59 LEU H H 1 7.95 0.03 . 1 . . . . . . . . 4880 1 757 . 1 1 59 59 LEU HA H 1 3.81 0.03 . 1 . . . . . . . . 4880 1 758 . 1 1 59 59 LEU HB2 H 1 1.58 0.03 . 2 . . . . . . . . 4880 1 759 . 1 1 59 59 LEU HB3 H 1 1.38 0.04 . 2 . . . . . . . . 4880 1 760 . 1 1 59 59 LEU HG H 1 0.88 0.04 . 1 . . . . . . . . 4880 1 761 . 1 1 59 59 LEU HD11 H 1 0.66 0.03 . 2 . . . . . . . . 4880 1 762 . 1 1 59 59 LEU HD12 H 1 0.66 0.03 . 2 . . . . . . . . 4880 1 763 . 1 1 59 59 LEU HD13 H 1 0.66 0.03 . 2 . . . . . . . . 4880 1 764 . 1 1 59 59 LEU HD21 H 1 0.48 0.04 . 2 . . . . . . . . 4880 1 765 . 1 1 59 59 LEU HD22 H 1 0.48 0.04 . 2 . . . . . . . . 4880 1 766 . 1 1 59 59 LEU HD23 H 1 0.48 0.04 . 2 . . . . . . . . 4880 1 767 . 1 1 59 59 LEU C C 13 180.5 0.3 . 1 . . . . . . . . 4880 1 768 . 1 1 59 59 LEU CA C 13 57.9 0.3 . 1 . . . . . . . . 4880 1 769 . 1 1 59 59 LEU CB C 13 41.9 0.3 . 1 . . . . . . . . 4880 1 770 . 1 1 59 59 LEU CG C 13 27.6 0.3 . 1 . . . . . . . . 4880 1 771 . 1 1 59 59 LEU CD1 C 13 24.8 0.3 . 2 . . . . . . . . 4880 1 772 . 1 1 59 59 LEU CD2 C 13 23.2 0.3 . 2 . . . . . . . . 4880 1 773 . 1 1 59 59 LEU N N 15 118.5 0.3 . 1 . . . . . . . . 4880 1 774 . 1 1 60 60 GLU H H 1 8.33 0.03 . 1 . . . . . . . . 4880 1 775 . 1 1 60 60 GLU HA H 1 4.18 0.03 . 1 . . . . . . . . 4880 1 776 . 1 1 60 60 GLU HB2 H 1 2.08 0.03 . 2 . . . . . . . . 4880 1 777 . 1 1 60 60 GLU HB3 H 1 1.93 0.03 . 2 . . . . . . . . 4880 1 778 . 1 1 60 60 GLU HG2 H 1 2.30 0.03 . 2 . . . . . . . . 4880 1 779 . 1 1 60 60 GLU HG3 H 1 2.22 0.03 . 2 . . . . . . . . 4880 1 780 . 1 1 60 60 GLU C C 13 178.3 0.3 . 1 . . . . . . . . 4880 1 781 . 1 1 60 60 GLU CA C 13 59.5 0.3 . 1 . . . . . . . . 4880 1 782 . 1 1 60 60 GLU CB C 13 30.0 0.3 . 1 . . . . . . . . 4880 1 783 . 1 1 60 60 GLU CG C 13 37.3 0.3 . 1 . . . . . . . . 4880 1 784 . 1 1 60 60 GLU N N 15 122.0 0.3 . 1 . . . . . . . . 4880 1 785 . 1 1 61 61 ASN H H 1 7.86 0.03 . 1 . . . . . . . . 4880 1 786 . 1 1 61 61 ASN HA H 1 4.63 0.03 . 1 . . . . . . . . 4880 1 787 . 1 1 61 61 ASN HB2 H 1 3.73 0.03 . 2 . . . . . . . . 4880 1 788 . 1 1 61 61 ASN HB3 H 1 2.93 0.03 . 2 . . . . . . . . 4880 1 789 . 1 1 61 61 ASN HD21 H 1 7.73 0.03 . 2 . . . . . . . . 4880 1 790 . 1 1 61 61 ASN HD22 H 1 7.61 0.03 . 2 . . . . . . . . 4880 1 791 . 1 1 61 61 ASN C C 13 177.4 0.3 . 1 . . . . . . . . 4880 1 792 . 1 1 61 61 ASN CA C 13 55.7 0.3 . 1 . . . . . . . . 4880 1 793 . 1 1 61 61 ASN CB C 13 38.2 0.3 . 1 . . . . . . . . 4880 1 794 . 1 1 61 61 ASN CG C 13 176.7 0.3 . 1 . . . . . . . . 4880 1 795 . 1 1 61 61 ASN N N 15 118.4 0.3 . 1 . . . . . . . . 4880 1 796 . 1 1 61 61 ASN ND2 N 15 108.0 0.3 . 1 . . . . . . . . 4880 1 797 . 1 1 62 62 ILE H H 1 8.58 0.03 . 1 . . . . . . . . 4880 1 798 . 1 1 62 62 ILE HA H 1 3.64 0.03 . 1 . . . . . . . . 4880 1 799 . 1 1 62 62 ILE HB H 1 2.01 0.03 . 1 . . . . . . . . 4880 1 800 . 1 1 62 62 ILE HG12 H 1 2.05 0.03 . 2 . . . . . . . . 4880 1 801 . 1 1 62 62 ILE HG13 H 1 0.99 0.03 . 2 . . . . . . . . 4880 1 802 . 1 1 62 62 ILE HG21 H 1 1.21 0.03 . 1 . . . . . . . . 4880 1 803 . 1 1 62 62 ILE HG22 H 1 1.21 0.03 . 1 . . . . . . . . 4880 1 804 . 1 1 62 62 ILE HG23 H 1 1.21 0.03 . 1 . . . . . . . . 4880 1 805 . 1 1 62 62 ILE HD11 H 1 1.20 0.03 . 1 . . . . . . . . 4880 1 806 . 1 1 62 62 ILE HD12 H 1 1.20 0.03 . 1 . . . . . . . . 4880 1 807 . 1 1 62 62 ILE HD13 H 1 1.20 0.03 . 1 . . . . . . . . 4880 1 808 . 1 1 62 62 ILE C C 13 177.9 0.3 . 1 . . . . . . . . 4880 1 809 . 1 1 62 62 ILE CA C 13 66.1 0.3 . 1 . . . . . . . . 4880 1 810 . 1 1 62 62 ILE CB C 13 38.8 0.3 . 1 . . . . . . . . 4880 1 811 . 1 1 62 62 ILE CG1 C 13 29.7 0.3 . 1 . . . . . . . . 4880 1 812 . 1 1 62 62 ILE CG2 C 13 18.5 0.4 . 1 . . . . . . . . 4880 1 813 . 1 1 62 62 ILE CD1 C 13 14.0 0.3 . 1 . . . . . . . . 4880 1 814 . 1 1 62 62 ILE N N 15 119.2 0.3 . 1 . . . . . . . . 4880 1 815 . 1 1 63 63 GLY H H 1 8.82 0.03 . 1 . . . . . . . . 4880 1 816 . 1 1 63 63 GLY HA2 H 1 4.05 0.03 . 2 . . . . . . . . 4880 1 817 . 1 1 63 63 GLY HA3 H 1 3.85 0.03 . 2 . . . . . . . . 4880 1 818 . 1 1 63 63 GLY C C 13 176.8 0.3 . 1 . . . . . . . . 4880 1 819 . 1 1 63 63 GLY CA C 13 47.5 0.3 . 1 . . . . . . . . 4880 1 820 . 1 1 63 63 GLY N N 15 106.6 0.3 . 1 . . . . . . . . 4880 1 821 . 1 1 64 64 ASN H H 1 8.76 0.03 . 1 . . . . . . . . 4880 1 822 . 1 1 64 64 ASN HA H 1 4.76 0.03 . 1 . . . . . . . . 4880 1 823 . 1 1 64 64 ASN HB2 H 1 3.16 0.03 . 2 . . . . . . . . 4880 1 824 . 1 1 64 64 ASN HB3 H 1 2.85 0.03 . 2 . . . . . . . . 4880 1 825 . 1 1 64 64 ASN HD21 H 1 8.49 0.03 . 2 . . . . . . . . 4880 1 826 . 1 1 64 64 ASN HD22 H 1 7.21 0.03 . 2 . . . . . . . . 4880 1 827 . 1 1 64 64 ASN C C 13 178.7 0.3 . 1 . . . . . . . . 4880 1 828 . 1 1 64 64 ASN CA C 13 55.7 0.3 . 1 . . . . . . . . 4880 1 829 . 1 1 64 64 ASN CB C 13 37.7 0.3 . 1 . . . . . . . . 4880 1 830 . 1 1 64 64 ASN CG C 13 175.7 0.3 . 1 . . . . . . . . 4880 1 831 . 1 1 64 64 ASN N N 15 121.4 0.3 . 1 . . . . . . . . 4880 1 832 . 1 1 64 64 ASN ND2 N 15 115.1 0.3 . 1 . . . . . . . . 4880 1 833 . 1 1 65 65 PHE H H 1 8.34 0.03 . 1 . . . . . . . . 4880 1 834 . 1 1 65 65 PHE HA H 1 4.10 0.03 . 1 . . . . . . . . 4880 1 835 . 1 1 65 65 PHE HB2 H 1 3.56 0.03 . 2 . . . . . . . . 4880 1 836 . 1 1 65 65 PHE HB3 H 1 3.43 0.03 . 2 . . . . . . . . 4880 1 837 . 1 1 65 65 PHE HD1 H 1 7.13 0.03 . 3 . . . . . . . . 4880 1 838 . 1 1 65 65 PHE HD2 H 1 7.05 0.03 . 3 . . . . . . . . 4880 1 839 . 1 1 65 65 PHE HE1 H 1 7.01 0.03 . 3 . . . . . . . . 4880 1 840 . 1 1 65 65 PHE HE2 H 1 7.29 0.03 . 3 . . . . . . . . 4880 1 841 . 1 1 65 65 PHE HZ H 1 7.05 0.03 . 1 . . . . . . . . 4880 1 842 . 1 1 65 65 PHE C C 13 175.7 0.3 . 1 . . . . . . . . 4880 1 843 . 1 1 65 65 PHE CA C 13 61.9 0.3 . 1 . . . . . . . . 4880 1 844 . 1 1 65 65 PHE CB C 13 38.4 0.3 . 1 . . . . . . . . 4880 1 845 . 1 1 65 65 PHE CD1 C 13 133.2 0.3 . 3 . . . . . . . . 4880 1 846 . 1 1 65 65 PHE CD2 C 13 131.6 0.3 . 3 . . . . . . . . 4880 1 847 . 1 1 65 65 PHE CE1 C 13 131.0 0.3 . 3 . . . . . . . . 4880 1 848 . 1 1 65 65 PHE CE2 C 13 130.1 0.3 . 3 . . . . . . . . 4880 1 849 . 1 1 65 65 PHE CZ C 13 128.6 0.3 . 1 . . . . . . . . 4880 1 850 . 1 1 65 65 PHE N N 15 124.4 0.3 . 1 . . . . . . . . 4880 1 851 . 1 1 66 66 LEU H H 1 8.54 0.04 . 1 . . . . . . . . 4880 1 852 . 1 1 66 66 LEU HA H 1 3.59 0.03 . 1 . . . . . . . . 4880 1 853 . 1 1 66 66 LEU HB2 H 1 1.95 0.03 . 2 . . . . . . . . 4880 1 854 . 1 1 66 66 LEU HB3 H 1 1.17 0.03 . 2 . . . . . . . . 4880 1 855 . 1 1 66 66 LEU HG H 1 1.95 0.03 . 1 . . . . . . . . 4880 1 856 . 1 1 66 66 LEU HD11 H 1 0.69 0.03 . 2 . . . . . . . . 4880 1 857 . 1 1 66 66 LEU HD12 H 1 0.69 0.03 . 2 . . . . . . . . 4880 1 858 . 1 1 66 66 LEU HD13 H 1 0.69 0.03 . 2 . . . . . . . . 4880 1 859 . 1 1 66 66 LEU HD21 H 1 -0.08 0.04 . 2 . . . . . . . . 4880 1 860 . 1 1 66 66 LEU HD22 H 1 -0.08 0.04 . 2 . . . . . . . . 4880 1 861 . 1 1 66 66 LEU HD23 H 1 -0.08 0.04 . 2 . . . . . . . . 4880 1 862 . 1 1 66 66 LEU C C 13 180.1 0.3 . 1 . . . . . . . . 4880 1 863 . 1 1 66 66 LEU CA C 13 57.6 0.3 . 1 . . . . . . . . 4880 1 864 . 1 1 66 66 LEU CB C 13 41.2 0.3 . 1 . . . . . . . . 4880 1 865 . 1 1 66 66 LEU CG C 13 26.1 0.3 . 1 . . . . . . . . 4880 1 866 . 1 1 66 66 LEU CD1 C 13 25.4 0.3 . 2 . . . . . . . . 4880 1 867 . 1 1 66 66 LEU CD2 C 13 20.0 0.3 . 2 . . . . . . . . 4880 1 868 . 1 1 66 66 LEU N N 15 119.6 0.3 . 1 . . . . . . . . 4880 1 869 . 1 1 67 67 ARG H H 1 7.94 0.03 . 1 . . . . . . . . 4880 1 870 . 1 1 67 67 ARG HA H 1 3.97 0.03 . 1 . . . . . . . . 4880 1 871 . 1 1 67 67 ARG HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4880 1 872 . 1 1 67 67 ARG HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4880 1 873 . 1 1 67 67 ARG HG2 H 1 1.86 0.03 . 2 . . . . . . . . 4880 1 874 . 1 1 67 67 ARG HG3 H 1 1.63 0.03 . 2 . . . . . . . . 4880 1 875 . 1 1 67 67 ARG HD2 H 1 3.37 0.04 . 2 . . . . . . . . 4880 1 876 . 1 1 67 67 ARG HD3 H 1 3.30 0.05 . 2 . . . . . . . . 4880 1 877 . 1 1 67 67 ARG C C 13 178.8 0.3 . 1 . . . . . . . . 4880 1 878 . 1 1 67 67 ARG CA C 13 59.6 0.3 . 1 . . . . . . . . 4880 1 879 . 1 1 67 67 ARG CB C 13 30.6 0.3 . 1 . . . . . . . . 4880 1 880 . 1 1 67 67 ARG CG C 13 28.1 0.3 . 1 . . . . . . . . 4880 1 881 . 1 1 67 67 ARG CD C 13 43.3 0.3 . 1 . . . . . . . . 4880 1 882 . 1 1 67 67 ARG N N 15 119.0 0.3 . 1 . . . . . . . . 4880 1 883 . 1 1 68 68 ALA H H 1 7.95 0.03 . 1 . . . . . . . . 4880 1 884 . 1 1 68 68 ALA HA H 1 4.34 0.03 . 1 . . . . . . . . 4880 1 885 . 1 1 68 68 ALA HB1 H 1 1.48 0.03 . 1 . . . . . . . . 4880 1 886 . 1 1 68 68 ALA HB2 H 1 1.48 0.03 . 1 . . . . . . . . 4880 1 887 . 1 1 68 68 ALA HB3 H 1 1.48 0.03 . 1 . . . . . . . . 4880 1 888 . 1 1 68 68 ALA C C 13 182.0 0.3 . 1 . . . . . . . . 4880 1 889 . 1 1 68 68 ALA CA C 13 55.0 0.3 . 1 . . . . . . . . 4880 1 890 . 1 1 68 68 ALA CB C 13 20.4 0.3 . 1 . . . . . . . . 4880 1 891 . 1 1 68 68 ALA N N 15 121.5 0.3 . 1 . . . . . . . . 4880 1 892 . 1 1 69 69 ILE H H 1 8.42 0.03 . 1 . . . . . . . . 4880 1 893 . 1 1 69 69 ILE HA H 1 4.12 0.03 . 1 . . . . . . . . 4880 1 894 . 1 1 69 69 ILE HB H 1 1.75 0.03 . 1 . . . . . . . . 4880 1 895 . 1 1 69 69 ILE HG12 H 1 1.29 0.03 . 2 . . . . . . . . 4880 1 896 . 1 1 69 69 ILE HG13 H 1 1.14 0.03 . 2 . . . . . . . . 4880 1 897 . 1 1 69 69 ILE HG21 H 1 0.33 0.03 . 1 . . . . . . . . 4880 1 898 . 1 1 69 69 ILE HG22 H 1 0.33 0.03 . 1 . . . . . . . . 4880 1 899 . 1 1 69 69 ILE HG23 H 1 0.33 0.03 . 1 . . . . . . . . 4880 1 900 . 1 1 69 69 ILE HD11 H 1 0.57 0.03 . 1 . . . . . . . . 4880 1 901 . 1 1 69 69 ILE HD12 H 1 0.57 0.03 . 1 . . . . . . . . 4880 1 902 . 1 1 69 69 ILE HD13 H 1 0.57 0.03 . 1 . . . . . . . . 4880 1 903 . 1 1 69 69 ILE C C 13 177.3 0.3 . 1 . . . . . . . . 4880 1 904 . 1 1 69 69 ILE CA C 13 65.2 0.3 . 1 . . . . . . . . 4880 1 905 . 1 1 69 69 ILE CB C 13 37.1 0.3 . 1 . . . . . . . . 4880 1 906 . 1 1 69 69 ILE CG1 C 13 25.5 0.3 . 1 . . . . . . . . 4880 1 907 . 1 1 69 69 ILE CG2 C 13 19.3 0.3 . 1 . . . . . . . . 4880 1 908 . 1 1 69 69 ILE CD1 C 13 16.5 0.3 . 1 . . . . . . . . 4880 1 909 . 1 1 69 69 ILE N N 15 112.8 0.3 . 1 . . . . . . . . 4880 1 910 . 1 1 70 70 LYS H H 1 7.11 0.03 . 1 . . . . . . . . 4880 1 911 . 1 1 70 70 LYS HA H 1 4.43 0.04 . 1 . . . . . . . . 4880 1 912 . 1 1 70 70 LYS HB2 H 1 1.95 0.03 . 2 . . . . . . . . 4880 1 913 . 1 1 70 70 LYS HB3 H 1 1.76 0.03 . 2 . . . . . . . . 4880 1 914 . 1 1 70 70 LYS HG2 H 1 1.48 0.03 . 2 . . . . . . . . 4880 1 915 . 1 1 70 70 LYS HG3 H 1 1.32 0.04 . 2 . . . . . . . . 4880 1 916 . 1 1 70 70 LYS HD2 H 1 1.71 0.05 . 2 . . . . . . . . 4880 1 917 . 1 1 70 70 LYS HD3 H 1 1.66 0.04 . 2 . . . . . . . . 4880 1 918 . 1 1 70 70 LYS HE2 H 1 2.92 0.03 . 1 . . . . . . . . 4880 1 919 . 1 1 70 70 LYS HE3 H 1 2.92 0.03 . 1 . . . . . . . . 4880 1 920 . 1 1 70 70 LYS C C 13 180.8 0.3 . 1 . . . . . . . . 4880 1 921 . 1 1 70 70 LYS CA C 13 59.2 0.3 . 1 . . . . . . . . 4880 1 922 . 1 1 70 70 LYS CB C 13 32.1 0.3 . 1 . . . . . . . . 4880 1 923 . 1 1 70 70 LYS CG C 13 25.4 0.3 . 1 . . . . . . . . 4880 1 924 . 1 1 70 70 LYS CD C 13 29.5 0.3 . 1 . . . . . . . . 4880 1 925 . 1 1 70 70 LYS CE C 13 42.2 0.3 . 1 . . . . . . . . 4880 1 926 . 1 1 70 70 LYS N N 15 124.9 0.3 . 1 . . . . . . . . 4880 1 927 . 1 1 71 71 HIS H H 1 7.52 0.03 . 1 . . . . . . . . 4880 1 928 . 1 1 71 71 HIS HA H 1 4.39 0.03 . 1 . . . . . . . . 4880 1 929 . 1 1 71 71 HIS HB2 H 1 3.32 0.05 . 2 . . . . . . . . 4880 1 930 . 1 1 71 71 HIS HB3 H 1 3.26 0.05 . 2 . . . . . . . . 4880 1 931 . 1 1 71 71 HIS HD2 H 1 7.08 0.03 . 1 . . . . . . . . 4880 1 932 . 1 1 71 71 HIS C C 13 177.0 0.3 . 1 . . . . . . . . 4880 1 933 . 1 1 71 71 HIS CA C 13 59.3 0.3 . 1 . . . . . . . . 4880 1 934 . 1 1 71 71 HIS CB C 13 30.2 0.3 . 1 . . . . . . . . 4880 1 935 . 1 1 71 71 HIS CD2 C 13 120.1 0.3 . 1 . . . . . . . . 4880 1 936 . 1 1 71 71 HIS N N 15 120.6 0.3 . 1 . . . . . . . . 4880 1 937 . 1 1 72 72 TYR H H 1 7.94 0.03 . 1 . . . . . . . . 4880 1 938 . 1 1 72 72 TYR HA H 1 4.33 0.04 . 1 . . . . . . . . 4880 1 939 . 1 1 72 72 TYR HB2 H 1 3.21 0.03 . 2 . . . . . . . . 4880 1 940 . 1 1 72 72 TYR HB3 H 1 3.02 0.03 . 2 . . . . . . . . 4880 1 941 . 1 1 72 72 TYR HD1 H 1 6.92 0.03 . 1 . . . . . . . . 4880 1 942 . 1 1 72 72 TYR HD2 H 1 6.92 0.03 . 1 . . . . . . . . 4880 1 943 . 1 1 72 72 TYR HE1 H 1 6.68 0.04 . 1 . . . . . . . . 4880 1 944 . 1 1 72 72 TYR HE2 H 1 6.68 0.04 . 1 . . . . . . . . 4880 1 945 . 1 1 72 72 TYR C C 13 175.3 0.3 . 1 . . . . . . . . 4880 1 946 . 1 1 72 72 TYR CA C 13 59.4 0.3 . 1 . . . . . . . . 4880 1 947 . 1 1 72 72 TYR CB C 13 40.6 0.3 . 1 . . . . . . . . 4880 1 948 . 1 1 72 72 TYR CD1 C 13 132.3 0.3 . 1 . . . . . . . . 4880 1 949 . 1 1 72 72 TYR CD2 C 13 132.3 0.3 . 1 . . . . . . . . 4880 1 950 . 1 1 72 72 TYR CE1 C 13 117.2 0.3 . 1 . . . . . . . . 4880 1 951 . 1 1 72 72 TYR CE2 C 13 117.2 0.3 . 1 . . . . . . . . 4880 1 952 . 1 1 72 72 TYR N N 15 118.8 0.3 . 1 . . . . . . . . 4880 1 953 . 1 1 73 73 GLY H H 1 7.30 0.03 . 1 . . . . . . . . 4880 1 954 . 1 1 73 73 GLY HA2 H 1 4.39 0.03 . 2 . . . . . . . . 4880 1 955 . 1 1 73 73 GLY HA3 H 1 3.55 0.03 . 2 . . . . . . . . 4880 1 956 . 1 1 73 73 GLY C C 13 174.9 0.3 . 1 . . . . . . . . 4880 1 957 . 1 1 73 73 GLY CA C 13 44.8 0.3 . 1 . . . . . . . . 4880 1 958 . 1 1 73 73 GLY N N 15 101.8 0.3 . 1 . . . . . . . . 4880 1 959 . 1 1 74 74 VAL H H 1 7.89 0.03 . 1 . . . . . . . . 4880 1 960 . 1 1 74 74 VAL HA H 1 3.78 0.03 . 1 . . . . . . . . 4880 1 961 . 1 1 74 74 VAL HB H 1 1.59 0.04 . 1 . . . . . . . . 4880 1 962 . 1 1 74 74 VAL HG11 H 1 0.98 0.03 . 2 . . . . . . . . 4880 1 963 . 1 1 74 74 VAL HG12 H 1 0.98 0.03 . 2 . . . . . . . . 4880 1 964 . 1 1 74 74 VAL HG13 H 1 0.98 0.03 . 2 . . . . . . . . 4880 1 965 . 1 1 74 74 VAL HG21 H 1 1.00 0.04 . 2 . . . . . . . . 4880 1 966 . 1 1 74 74 VAL HG22 H 1 1.00 0.04 . 2 . . . . . . . . 4880 1 967 . 1 1 74 74 VAL HG23 H 1 1.00 0.04 . 2 . . . . . . . . 4880 1 968 . 1 1 74 74 VAL C C 13 175.8 0.3 . 1 . . . . . . . . 4880 1 969 . 1 1 74 74 VAL CA C 13 63.9 0.3 . 1 . . . . . . . . 4880 1 970 . 1 1 74 74 VAL CB C 13 31.3 0.3 . 1 . . . . . . . . 4880 1 971 . 1 1 74 74 VAL CG1 C 13 23.9 0.3 . 2 . . . . . . . . 4880 1 972 . 1 1 74 74 VAL CG2 C 13 22.8 0.3 . 2 . . . . . . . . 4880 1 973 . 1 1 74 74 VAL N N 15 122.3 0.3 . 1 . . . . . . . . 4880 1 974 . 1 1 75 75 LYS H H 1 9.27 0.03 . 1 . . . . . . . . 4880 1 975 . 1 1 75 75 LYS HA H 1 4.26 0.03 . 1 . . . . . . . . 4880 1 976 . 1 1 75 75 LYS HB2 H 1 1.64 0.03 . 2 . . . . . . . . 4880 1 977 . 1 1 75 75 LYS HB3 H 1 1.50 0.03 . 2 . . . . . . . . 4880 1 978 . 1 1 75 75 LYS HG2 H 1 1.71 0.03 . 2 . . . . . . . . 4880 1 979 . 1 1 75 75 LYS HG3 H 1 1.62 0.03 . 2 . . . . . . . . 4880 1 980 . 1 1 75 75 LYS HD2 H 1 1.80 0.03 . 2 . . . . . . . . 4880 1 981 . 1 1 75 75 LYS HD3 H 1 1.74 0.03 . 2 . . . . . . . . 4880 1 982 . 1 1 75 75 LYS HE2 H 1 3.10 0.03 . 1 . . . . . . . . 4880 1 983 . 1 1 75 75 LYS HE3 H 1 3.10 0.03 . 1 . . . . . . . . 4880 1 984 . 1 1 75 75 LYS CA C 13 55.0 0.3 . 1 . . . . . . . . 4880 1 985 . 1 1 75 75 LYS CB C 13 31.1 0.3 . 1 . . . . . . . . 4880 1 986 . 1 1 75 75 LYS CG C 13 25.3 0.3 . 1 . . . . . . . . 4880 1 987 . 1 1 75 75 LYS CD C 13 28.9 0.3 . 1 . . . . . . . . 4880 1 988 . 1 1 75 75 LYS CE C 13 42.3 0.3 . 1 . . . . . . . . 4880 1 989 . 1 1 75 75 LYS N N 15 129.9 0.3 . 1 . . . . . . . . 4880 1 990 . 1 1 76 76 PRO HA H 1 4.05 0.04 . 1 . . . . . . . . 4880 1 991 . 1 1 76 76 PRO HB2 H 1 2.36 0.03 . 2 . . . . . . . . 4880 1 992 . 1 1 76 76 PRO HB3 H 1 2.03 0.03 . 2 . . . . . . . . 4880 1 993 . 1 1 76 76 PRO HG2 H 1 2.27 0.04 . 2 . . . . . . . . 4880 1 994 . 1 1 76 76 PRO HG3 H 1 1.95 0.04 . 2 . . . . . . . . 4880 1 995 . 1 1 76 76 PRO HD2 H 1 3.87 0.03 . 2 . . . . . . . . 4880 1 996 . 1 1 76 76 PRO HD3 H 1 3.79 0.03 . 2 . . . . . . . . 4880 1 997 . 1 1 76 76 PRO C C 13 178.7 0.3 . 1 . . . . . . . . 4880 1 998 . 1 1 76 76 PRO CA C 13 66.0 0.3 . 1 . . . . . . . . 4880 1 999 . 1 1 76 76 PRO CB C 13 32.0 0.3 . 1 . . . . . . . . 4880 1 1000 . 1 1 76 76 PRO CG C 13 28.2 0.3 . 1 . . . . . . . . 4880 1 1001 . 1 1 76 76 PRO CD C 13 50.3 0.3 . 1 . . . . . . . . 4880 1 1002 . 1 1 77 77 HIS H H 1 7.74 0.03 . 1 . . . . . . . . 4880 1 1003 . 1 1 77 77 HIS HA H 1 4.49 0.03 . 1 . . . . . . . . 4880 1 1004 . 1 1 77 77 HIS HB2 H 1 3.28 0.03 . 2 . . . . . . . . 4880 1 1005 . 1 1 77 77 HIS HB3 H 1 3.01 0.03 . 2 . . . . . . . . 4880 1 1006 . 1 1 77 77 HIS HD2 H 1 6.99 0.03 . 1 . . . . . . . . 4880 1 1007 . 1 1 77 77 HIS C C 13 175.7 0.3 . 1 . . . . . . . . 4880 1 1008 . 1 1 77 77 HIS CA C 13 58.0 0.3 . 1 . . . . . . . . 4880 1 1009 . 1 1 77 77 HIS CB C 13 29.6 0.3 . 1 . . . . . . . . 4880 1 1010 . 1 1 77 77 HIS CD2 C 13 119.4 0.3 . 1 . . . . . . . . 4880 1 1011 . 1 1 77 77 HIS N N 15 112.6 0.3 . 1 . . . . . . . . 4880 1 1012 . 1 1 78 78 ASP H H 1 7.92 0.03 . 1 . . . . . . . . 4880 1 1013 . 1 1 78 78 ASP HA H 1 4.94 0.03 . 1 . . . . . . . . 4880 1 1014 . 1 1 78 78 ASP HB2 H 1 2.77 0.03 . 2 . . . . . . . . 4880 1 1015 . 1 1 78 78 ASP HB3 H 1 2.51 0.03 . 2 . . . . . . . . 4880 1 1016 . 1 1 78 78 ASP C C 13 175.7 0.3 . 1 . . . . . . . . 4880 1 1017 . 1 1 78 78 ASP CA C 13 54.0 0.3 . 1 . . . . . . . . 4880 1 1018 . 1 1 78 78 ASP CB C 13 42.2 0.3 . 1 . . . . . . . . 4880 1 1019 . 1 1 78 78 ASP N N 15 118.5 0.3 . 1 . . . . . . . . 4880 1 1020 . 1 1 79 79 ILE H H 1 7.37 0.03 . 1 . . . . . . . . 4880 1 1021 . 1 1 79 79 ILE HA H 1 3.90 0.03 . 1 . . . . . . . . 4880 1 1022 . 1 1 79 79 ILE HB H 1 1.86 0.03 . 1 . . . . . . . . 4880 1 1023 . 1 1 79 79 ILE HG12 H 1 1.85 0.03 . 2 . . . . . . . . 4880 1 1024 . 1 1 79 79 ILE HG13 H 1 0.51 0.03 . 2 . . . . . . . . 4880 1 1025 . 1 1 79 79 ILE HG21 H 1 0.92 0.03 . 1 . . . . . . . . 4880 1 1026 . 1 1 79 79 ILE HG22 H 1 0.92 0.03 . 1 . . . . . . . . 4880 1 1027 . 1 1 79 79 ILE HG23 H 1 0.92 0.03 . 1 . . . . . . . . 4880 1 1028 . 1 1 79 79 ILE HD11 H 1 0.67 0.03 . 1 . . . . . . . . 4880 1 1029 . 1 1 79 79 ILE HD12 H 1 0.67 0.03 . 1 . . . . . . . . 4880 1 1030 . 1 1 79 79 ILE HD13 H 1 0.67 0.03 . 1 . . . . . . . . 4880 1 1031 . 1 1 79 79 ILE C C 13 174.8 0.3 . 1 . . . . . . . . 4880 1 1032 . 1 1 79 79 ILE CA C 13 63.3 0.3 . 1 . . . . . . . . 4880 1 1033 . 1 1 79 79 ILE CB C 13 39.0 0.3 . 1 . . . . . . . . 4880 1 1034 . 1 1 79 79 ILE CG1 C 13 28.4 0.3 . 1 . . . . . . . . 4880 1 1035 . 1 1 79 79 ILE CG2 C 13 19.0 0.3 . 1 . . . . . . . . 4880 1 1036 . 1 1 79 79 ILE CD1 C 13 13.6 0.3 . 1 . . . . . . . . 4880 1 1037 . 1 1 79 79 ILE N N 15 121.8 0.3 . 1 . . . . . . . . 4880 1 1038 . 1 1 80 80 PHE H H 1 7.128 0.03 . 1 . . . . . . . . 4880 1 1039 . 1 1 80 80 PHE HA H 1 4.64 0.03 . 1 . . . . . . . . 4880 1 1040 . 1 1 80 80 PHE HB2 H 1 2.89 0.03 . 2 . . . . . . . . 4880 1 1041 . 1 1 80 80 PHE HB3 H 1 3.97 0.04 . 2 . . . . . . . . 4880 1 1042 . 1 1 80 80 PHE HD1 H 1 7.87 0.03 . 1 . . . . . . . . 4880 1 1043 . 1 1 80 80 PHE HD2 H 1 7.87 0.03 . 1 . . . . . . . . 4880 1 1044 . 1 1 80 80 PHE HE1 H 1 7.32 0.03 . 1 . . . . . . . . 4880 1 1045 . 1 1 80 80 PHE HE2 H 1 7.32 0.03 . 1 . . . . . . . . 4880 1 1046 . 1 1 80 80 PHE HZ H 1 7.15 0.03 . 1 . . . . . . . . 4880 1 1047 . 1 1 80 80 PHE C C 13 172.2 0.3 . 1 . . . . . . . . 4880 1 1048 . 1 1 80 80 PHE CA C 13 56.6 0.3 . 1 . . . . . . . . 4880 1 1049 . 1 1 80 80 PHE CB C 13 38.5 0.3 . 1 . . . . . . . . 4880 1 1050 . 1 1 80 80 PHE CD1 C 13 133.8 0.3 . 1 . . . . . . . . 4880 1 1051 . 1 1 80 80 PHE CD2 C 13 133.8 0.3 . 1 . . . . . . . . 4880 1 1052 . 1 1 80 80 PHE CE1 C 13 130.3 0.3 . 1 . . . . . . . . 4880 1 1053 . 1 1 80 80 PHE CE2 C 13 130.3 0.3 . 1 . . . . . . . . 4880 1 1054 . 1 1 80 80 PHE CZ C 13 128.4 0.3 . 1 . . . . . . . . 4880 1 1055 . 1 1 80 80 PHE N N 15 124.4 0.3 . 1 . . . . . . . . 4880 1 1056 . 1 1 81 81 GLU H H 1 8.87 0.04 . 1 . . . . . . . . 4880 1 1057 . 1 1 81 81 GLU HA H 1 4.55 0.03 . 1 . . . . . . . . 4880 1 1058 . 1 1 81 81 GLU HB2 H 1 2.26 0.03 . 2 . . . . . . . . 4880 1 1059 . 1 1 81 81 GLU HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4880 1 1060 . 1 1 81 81 GLU HG2 H 1 2.52 0.03 . 2 . . . . . . . . 4880 1 1061 . 1 1 81 81 GLU HG3 H 1 2.39 0.03 . 2 . . . . . . . . 4880 1 1062 . 1 1 81 81 GLU C C 13 179.0 0.3 . 1 . . . . . . . . 4880 1 1063 . 1 1 81 81 GLU CA C 13 55.1 0.3 . 1 . . . . . . . . 4880 1 1064 . 1 1 81 81 GLU CB C 13 31.2 0.3 . 1 . . . . . . . . 4880 1 1065 . 1 1 81 81 GLU CG C 13 36.7 0.3 . 1 . . . . . . . . 4880 1 1066 . 1 1 81 81 GLU N N 15 119.2 0.3 . 1 . . . . . . . . 4880 1 1067 . 1 1 82 82 ALA H H 1 9.31 0.03 . 1 . . . . . . . . 4880 1 1068 . 1 1 82 82 ALA HA H 1 4.08 0.03 . 1 . . . . . . . . 4880 1 1069 . 1 1 82 82 ALA HB1 H 1 1.47 0.03 . 1 . . . . . . . . 4880 1 1070 . 1 1 82 82 ALA HB2 H 1 1.47 0.03 . 1 . . . . . . . . 4880 1 1071 . 1 1 82 82 ALA HB3 H 1 1.47 0.03 . 1 . . . . . . . . 4880 1 1072 . 1 1 82 82 ALA C C 13 179.9 0.3 . 1 . . . . . . . . 4880 1 1073 . 1 1 82 82 ALA CA C 13 57.7 0.3 . 1 . . . . . . . . 4880 1 1074 . 1 1 82 82 ALA CB C 13 18.7 0.3 . 1 . . . . . . . . 4880 1 1075 . 1 1 82 82 ALA N N 15 126.7 0.3 . 1 . . . . . . . . 4880 1 1076 . 1 1 83 83 ASN H H 1 9.23 0.04 . 1 . . . . . . . . 4880 1 1077 . 1 1 83 83 ASN HA H 1 4.68 0.03 . 1 . . . . . . . . 4880 1 1078 . 1 1 83 83 ASN HB2 H 1 2.99 0.03 . 2 . . . . . . . . 4880 1 1079 . 1 1 83 83 ASN HB3 H 1 2.92 0.03 . 2 . . . . . . . . 4880 1 1080 . 1 1 83 83 ASN HD21 H 1 7.62 0.03 . 2 . . . . . . . . 4880 1 1081 . 1 1 83 83 ASN HD22 H 1 6.78 0.03 . 2 . . . . . . . . 4880 1 1082 . 1 1 83 83 ASN C C 13 177.1 0.3 . 1 . . . . . . . . 4880 1 1083 . 1 1 83 83 ASN CA C 13 56.2 0.3 . 1 . . . . . . . . 4880 1 1084 . 1 1 83 83 ASN CB C 13 38.0 0.3 . 1 . . . . . . . . 4880 1 1085 . 1 1 83 83 ASN CG C 13 176.0 0.3 . 1 . . . . . . . . 4880 1 1086 . 1 1 83 83 ASN N N 15 114.3 0.3 . 1 . . . . . . . . 4880 1 1087 . 1 1 83 83 ASN ND2 N 15 110.9 0.3 . 1 . . . . . . . . 4880 1 1088 . 1 1 84 84 ASP H H 1 8.58 0.03 . 1 . . . . . . . . 4880 1 1089 . 1 1 84 84 ASP HA H 1 4.53 0.03 . 1 . . . . . . . . 4880 1 1090 . 1 1 84 84 ASP HB2 H 1 3.18 0.03 . 2 . . . . . . . . 4880 1 1091 . 1 1 84 84 ASP HB3 H 1 2.85 0.03 . 2 . . . . . . . . 4880 1 1092 . 1 1 84 84 ASP C C 13 177.8 0.3 . 1 . . . . . . . . 4880 1 1093 . 1 1 84 84 ASP CA C 13 57.5 0.3 . 1 . . . . . . . . 4880 1 1094 . 1 1 84 84 ASP CB C 13 41.1 0.3 . 1 . . . . . . . . 4880 1 1095 . 1 1 84 84 ASP N N 15 122.0 0.3 . 1 . . . . . . . . 4880 1 1096 . 1 1 85 85 LEU H H 1 6.89 0.03 . 1 . . . . . . . . 4880 1 1097 . 1 1 85 85 LEU HA H 1 4.41 0.03 . 1 . . . . . . . . 4880 1 1098 . 1 1 85 85 LEU HB2 H 1 2.03 0.03 . 2 . . . . . . . . 4880 1 1099 . 1 1 85 85 LEU HB3 H 1 1.24 0.03 . 2 . . . . . . . . 4880 1 1100 . 1 1 85 85 LEU HG H 1 1.42 0.03 . 1 . . . . . . . . 4880 1 1101 . 1 1 85 85 LEU HD11 H 1 0.86 0.04 . 2 . . . . . . . . 4880 1 1102 . 1 1 85 85 LEU HD12 H 1 0.86 0.04 . 2 . . . . . . . . 4880 1 1103 . 1 1 85 85 LEU HD13 H 1 0.86 0.04 . 2 . . . . . . . . 4880 1 1104 . 1 1 85 85 LEU HD21 H 1 0.83 0.04 . 2 . . . . . . . . 4880 1 1105 . 1 1 85 85 LEU HD22 H 1 0.83 0.04 . 2 . . . . . . . . 4880 1 1106 . 1 1 85 85 LEU HD23 H 1 0.83 0.04 . 2 . . . . . . . . 4880 1 1107 . 1 1 85 85 LEU C C 13 178.3 0.3 . 1 . . . . . . . . 4880 1 1108 . 1 1 85 85 LEU CA C 13 55.0 0.3 . 1 . . . . . . . . 4880 1 1109 . 1 1 85 85 LEU CB C 13 44.4 0.3 . 1 . . . . . . . . 4880 1 1110 . 1 1 85 85 LEU CG C 13 28.2 0.3 . 1 . . . . . . . . 4880 1 1111 . 1 1 85 85 LEU CD1 C 13 26.6 0.3 . 2 . . . . . . . . 4880 1 1112 . 1 1 85 85 LEU CD2 C 13 23.1 0.3 . 2 . . . . . . . . 4880 1 1113 . 1 1 85 85 LEU N N 15 113.5 0.3 . 1 . . . . . . . . 4880 1 1114 . 1 1 86 86 PHE H H 1 8.76 0.03 . 1 . . . . . . . . 4880 1 1115 . 1 1 86 86 PHE HA H 1 4.02 0.03 . 1 . . . . . . . . 4880 1 1116 . 1 1 86 86 PHE HB2 H 1 3.22 0.03 . 2 . . . . . . . . 4880 1 1117 . 1 1 86 86 PHE HB3 H 1 3.06 0.03 . 2 . . . . . . . . 4880 1 1118 . 1 1 86 86 PHE HD1 H 1 7.37 0.04 . 1 . . . . . . . . 4880 1 1119 . 1 1 86 86 PHE HD2 H 1 7.37 0.04 . 1 . . . . . . . . 4880 1 1120 . 1 1 86 86 PHE HE1 H 1 7.36 0.03 . 1 . . . . . . . . 4880 1 1121 . 1 1 86 86 PHE HE2 H 1 7.36 0.03 . 1 . . . . . . . . 4880 1 1122 . 1 1 86 86 PHE HZ H 1 7.21 0.03 . 1 . . . . . . . . 4880 1 1123 . 1 1 86 86 PHE C C 13 175.8 0.3 . 1 . . . . . . . . 4880 1 1124 . 1 1 86 86 PHE CA C 13 63.4 0.3 . 1 . . . . . . . . 4880 1 1125 . 1 1 86 86 PHE CB C 13 41.2 0.3 . 1 . . . . . . . . 4880 1 1126 . 1 1 86 86 PHE CD1 C 13 131.0 0.3 . 1 . . . . . . . . 4880 1 1127 . 1 1 86 86 PHE CD2 C 13 131.0 0.3 . 1 . . . . . . . . 4880 1 1128 . 1 1 86 86 PHE CE1 C 13 130.1 0.3 . 1 . . . . . . . . 4880 1 1129 . 1 1 86 86 PHE CE2 C 13 130.1 0.3 . 1 . . . . . . . . 4880 1 1130 . 1 1 86 86 PHE CZ C 13 128.7 0.3 . 1 . . . . . . . . 4880 1 1131 . 1 1 86 86 PHE N N 15 117.7 0.3 . 1 . . . . . . . . 4880 1 1132 . 1 1 87 87 GLU H H 1 8.39 0.04 . 1 . . . . . . . . 4880 1 1133 . 1 1 87 87 GLU HA H 1 4.56 0.03 . 1 . . . . . . . . 4880 1 1134 . 1 1 87 87 GLU HB2 H 1 2.38 0.03 . 2 . . . . . . . . 4880 1 1135 . 1 1 87 87 GLU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4880 1 1136 . 1 1 87 87 GLU HG2 H 1 2.47 0.03 . 2 . . . . . . . . 4880 1 1137 . 1 1 87 87 GLU HG3 H 1 2.25 0.03 . 2 . . . . . . . . 4880 1 1138 . 1 1 87 87 GLU C C 13 176.1 0.3 . 1 . . . . . . . . 4880 1 1139 . 1 1 87 87 GLU CA C 13 55.0 0.3 . 1 . . . . . . . . 4880 1 1140 . 1 1 87 87 GLU CB C 13 29.7 0.3 . 1 . . . . . . . . 4880 1 1141 . 1 1 87 87 GLU CG C 13 36.1 0.3 . 1 . . . . . . . . 4880 1 1142 . 1 1 87 87 GLU N N 15 112.6 0.3 . 1 . . . . . . . . 4880 1 1143 . 1 1 88 88 ASN H H 1 7.53 0.03 . 1 . . . . . . . . 4880 1 1144 . 1 1 88 88 ASN HA H 1 4.06 0.03 . 1 . . . . . . . . 4880 1 1145 . 1 1 88 88 ASN HB2 H 1 2.95 0.04 . 2 . . . . . . . . 4880 1 1146 . 1 1 88 88 ASN HB3 H 1 2.91 0.03 . 2 . . . . . . . . 4880 1 1147 . 1 1 88 88 ASN HD21 H 1 7.02 0.03 . 2 . . . . . . . . 4880 1 1148 . 1 1 88 88 ASN HD22 H 1 7.71 0.03 . 2 . . . . . . . . 4880 1 1149 . 1 1 88 88 ASN C C 13 175.3 0.3 . 1 . . . . . . . . 4880 1 1150 . 1 1 88 88 ASN CA C 13 54.2 0.3 . 1 . . . . . . . . 4880 1 1151 . 1 1 88 88 ASN CB C 13 36.8 0.3 . 1 . . . . . . . . 4880 1 1152 . 1 1 88 88 ASN CG C 13 177.9 0.3 . 1 . . . . . . . . 4880 1 1153 . 1 1 88 88 ASN N N 15 112.4 0.3 . 1 . . . . . . . . 4880 1 1154 . 1 1 88 88 ASN ND2 N 15 113.2 0.3 . 1 . . . . . . . . 4880 1 1155 . 1 1 89 89 THR H H 1 7.67 0.03 . 1 . . . . . . . . 4880 1 1156 . 1 1 89 89 THR HA H 1 4.10 0.03 . 1 . . . . . . . . 4880 1 1157 . 1 1 89 89 THR HB H 1 4.25 0.03 . 1 . . . . . . . . 4880 1 1158 . 1 1 89 89 THR HG21 H 1 1.23 0.03 . 1 . . . . . . . . 4880 1 1159 . 1 1 89 89 THR HG22 H 1 1.23 0.03 . 1 . . . . . . . . 4880 1 1160 . 1 1 89 89 THR HG23 H 1 1.23 0.03 . 1 . . . . . . . . 4880 1 1161 . 1 1 89 89 THR C C 13 175.7 0.3 . 1 . . . . . . . . 4880 1 1162 . 1 1 89 89 THR CA C 13 64.3 0.3 . 1 . . . . . . . . 4880 1 1163 . 1 1 89 89 THR CB C 13 68.9 0.3 . 1 . . . . . . . . 4880 1 1164 . 1 1 89 89 THR CG2 C 13 23.0 0.3 . 1 . . . . . . . . 4880 1 1165 . 1 1 89 89 THR N N 15 111.0 0.3 . 1 . . . . . . . . 4880 1 1166 . 1 1 90 90 ASN H H 1 8.62 0.03 . 1 . . . . . . . . 4880 1 1167 . 1 1 90 90 ASN HA H 1 4.86 0.03 . 1 . . . . . . . . 4880 1 1168 . 1 1 90 90 ASN HB2 H 1 2.98 0.03 . 2 . . . . . . . . 4880 1 1169 . 1 1 90 90 ASN HB3 H 1 2.76 0.03 . 2 . . . . . . . . 4880 1 1170 . 1 1 90 90 ASN HD21 H 1 7.91 0.03 . 2 . . . . . . . . 4880 1 1171 . 1 1 90 90 ASN HD22 H 1 6.94 0.03 . 2 . . . . . . . . 4880 1 1172 . 1 1 90 90 ASN C C 13 174.3 0.3 . 1 . . . . . . . . 4880 1 1173 . 1 1 90 90 ASN CA C 13 52.6 0.3 . 1 . . . . . . . . 4880 1 1174 . 1 1 90 90 ASN CB C 13 37.4 0.3 . 1 . . . . . . . . 4880 1 1175 . 1 1 90 90 ASN CG C 13 178.2 0.3 . 1 . . . . . . . . 4880 1 1176 . 1 1 90 90 ASN N N 15 118.6 0.3 . 1 . . . . . . . . 4880 1 1177 . 1 1 90 90 ASN ND2 N 15 112.2 0.3 . 1 . . . . . . . . 4880 1 1178 . 1 1 91 91 HIS H H 1 9.2 0.03 . 1 . . . . . . . . 4880 1 1179 . 1 1 91 91 HIS HA H 1 4.41 0.03 . 1 . . . . . . . . 4880 1 1180 . 1 1 91 91 HIS HB2 H 1 3.23 0.03 . 2 . . . . . . . . 4880 1 1181 . 1 1 91 91 HIS HB3 H 1 3.22 0.03 . 2 . . . . . . . . 4880 1 1182 . 1 1 91 91 HIS HD2 H 1 7.25 0.03 . 1 . . . . . . . . 4880 1 1183 . 1 1 91 91 HIS C C 13 178.2 0.3 . 1 . . . . . . . . 4880 1 1184 . 1 1 91 91 HIS CA C 13 58.3 0.3 . 1 . . . . . . . . 4880 1 1185 . 1 1 91 91 HIS CB C 13 31.3 0.3 . 1 . . . . . . . . 4880 1 1186 . 1 1 91 91 HIS CD2 C 13 115.9 0.3 . 1 . . . . . . . . 4880 1 1187 . 1 1 91 91 HIS N N 15 124.1 0.3 . 1 . . . . . . . . 4880 1 1188 . 1 1 92 92 THR H H 1 8.48 0.03 . 1 . . . . . . . . 4880 1 1189 . 1 1 92 92 THR HA H 1 3.95 0.03 . 1 . . . . . . . . 4880 1 1190 . 1 1 92 92 THR HB H 1 4.31 0.03 . 1 . . . . . . . . 4880 1 1191 . 1 1 92 92 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 4880 1 1192 . 1 1 92 92 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 4880 1 1193 . 1 1 92 92 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 4880 1 1194 . 1 1 92 92 THR C C 13 176.6 0.3 . 1 . . . . . . . . 4880 1 1195 . 1 1 92 92 THR CA C 13 66.9 0.3 . 1 . . . . . . . . 4880 1 1196 . 1 1 92 92 THR CB C 13 68.1 0.3 . 1 . . . . . . . . 4880 1 1197 . 1 1 92 92 THR CG2 C 13 21.91 0.3 . 1 . . . . . . . . 4880 1 1198 . 1 1 92 92 THR N N 15 117.2 0.3 . 1 . . . . . . . . 4880 1 1199 . 1 1 93 93 GLN H H 1 7.65 0.03 . 1 . . . . . . . . 4880 1 1200 . 1 1 93 93 GLN HA H 1 4.18 0.03 . 1 . . . . . . . . 4880 1 1201 . 1 1 93 93 GLN HB2 H 1 2.17 0.03 . 2 . . . . . . . . 4880 1 1202 . 1 1 93 93 GLN HB3 H 1 1.96 0.03 . 2 . . . . . . . . 4880 1 1203 . 1 1 93 93 GLN HG2 H 1 2.66 0.03 . 2 . . . . . . . . 4880 1 1204 . 1 1 93 93 GLN HG3 H 1 2.32 0.03 . 2 . . . . . . . . 4880 1 1205 . 1 1 93 93 GLN HE21 H 1 7.32 0.03 . 2 . . . . . . . . 4880 1 1206 . 1 1 93 93 GLN HE22 H 1 6.82 0.03 . 2 . . . . . . . . 4880 1 1207 . 1 1 93 93 GLN C C 13 177.9 0.3 . 1 . . . . . . . . 4880 1 1208 . 1 1 93 93 GLN CA C 13 57.7 0.3 . 1 . . . . . . . . 4880 1 1209 . 1 1 93 93 GLN CB C 13 28.78 0.3 . 1 . . . . . . . . 4880 1 1210 . 1 1 93 93 GLN CG C 13 33.7 0.3 . 1 . . . . . . . . 4880 1 1211 . 1 1 93 93 GLN CD C 13 179.8 0.3 . 1 . . . . . . . . 4880 1 1212 . 1 1 93 93 GLN N N 15 122.4 0.3 . 1 . . . . . . . . 4880 1 1213 . 1 1 93 93 GLN NE2 N 15 113.1 0.3 . 1 . . . . . . . . 4880 1 1214 . 1 1 94 94 VAL H H 1 7.35 0.04 . 1 . . . . . . . . 4880 1 1215 . 1 1 94 94 VAL HA H 1 3.44 0.03 . 1 . . . . . . . . 4880 1 1216 . 1 1 94 94 VAL HB H 1 2.13 0.03 . 1 . . . . . . . . 4880 1 1217 . 1 1 94 94 VAL HG11 H 1 0.23 0.03 . 2 . . . . . . . . 4880 1 1218 . 1 1 94 94 VAL HG12 H 1 0.23 0.03 . 2 . . . . . . . . 4880 1 1219 . 1 1 94 94 VAL HG13 H 1 0.23 0.03 . 2 . . . . . . . . 4880 1 1220 . 1 1 94 94 VAL HG21 H 1 0.48 0.03 . 2 . . . . . . . . 4880 1 1221 . 1 1 94 94 VAL HG22 H 1 0.48 0.03 . 2 . . . . . . . . 4880 1 1222 . 1 1 94 94 VAL HG23 H 1 0.48 0.03 . 2 . . . . . . . . 4880 1 1223 . 1 1 94 94 VAL C C 13 178.0 0.3 . 1 . . . . . . . . 4880 1 1224 . 1 1 94 94 VAL CA C 13 65.8 0.3 . 1 . . . . . . . . 4880 1 1225 . 1 1 94 94 VAL CB C 13 30.7 0.3 . 1 . . . . . . . . 4880 1 1226 . 1 1 94 94 VAL CG1 C 13 21.5 0.3 . 2 . . . . . . . . 4880 1 1227 . 1 1 94 94 VAL CG2 C 13 20.1 0.3 . 2 . . . . . . . . 4880 1 1228 . 1 1 94 94 VAL N N 15 118.9 0.3 . 1 . . . . . . . . 4880 1 1229 . 1 1 95 95 GLN H H 1 8.05 0.03 . 1 . . . . . . . . 4880 1 1230 . 1 1 95 95 GLN HA H 1 3.79 0.03 . 1 . . . . . . . . 4880 1 1231 . 1 1 95 95 GLN HB2 H 1 2.21 0.03 . 2 . . . . . . . . 4880 1 1232 . 1 1 95 95 GLN HB3 H 1 2.19 0.03 . 2 . . . . . . . . 4880 1 1233 . 1 1 95 95 GLN HG2 H 1 2.31 0.03 . 2 . . . . . . . . 4880 1 1234 . 1 1 95 95 GLN HG3 H 1 2.16 0.03 . 2 . . . . . . . . 4880 1 1235 . 1 1 95 95 GLN HE21 H 1 7.17 0.03 . 2 . . . . . . . . 4880 1 1236 . 1 1 95 95 GLN HE22 H 1 6.79 0.03 . 2 . . . . . . . . 4880 1 1237 . 1 1 95 95 GLN C C 13 177.8 0.3 . 1 . . . . . . . . 4880 1 1238 . 1 1 95 95 GLN CA C 13 60.7 0.3 . 1 . . . . . . . . 4880 1 1239 . 1 1 95 95 GLN CB C 13 28.5 0.3 . 1 . . . . . . . . 4880 1 1240 . 1 1 95 95 GLN CG C 13 35.1 0.3 . 1 . . . . . . . . 4880 1 1241 . 1 1 95 95 GLN CD C 13 178.7 0.3 . 1 . . . . . . . . 4880 1 1242 . 1 1 95 95 GLN N N 15 117.5 0.3 . 1 . . . . . . . . 4880 1 1243 . 1 1 95 95 GLN NE2 N 15 109.2 0.3 . 1 . . . . . . . . 4880 1 1244 . 1 1 96 96 SER H H 1 8.49 0.03 . 1 . . . . . . . . 4880 1 1245 . 1 1 96 96 SER HA H 1 4.25 0.03 . 1 . . . . . . . . 4880 1 1246 . 1 1 96 96 SER HB2 H 1 4.17 0.03 . 2 . . . . . . . . 4880 1 1247 . 1 1 96 96 SER HB3 H 1 4.14 0.04 . 2 . . . . . . . . 4880 1 1248 . 1 1 96 96 SER C C 13 178.0 0.3 . 1 . . . . . . . . 4880 1 1249 . 1 1 96 96 SER CA C 13 62.5 0.3 . 1 . . . . . . . . 4880 1 1250 . 1 1 96 96 SER CB C 13 62.5 0.3 . 1 . . . . . . . . 4880 1 1251 . 1 1 96 96 SER N N 15 115.0 0.3 . 1 . . . . . . . . 4880 1 1252 . 1 1 97 97 THR H H 1 8.97 0.03 . 1 . . . . . . . . 4880 1 1253 . 1 1 97 97 THR HA H 1 4.36 0.03 . 1 . . . . . . . . 4880 1 1254 . 1 1 97 97 THR HB H 1 4.83 0.03 . 1 . . . . . . . . 4880 1 1255 . 1 1 97 97 THR HG1 H 1 6.58 0.03 . 1 . . . . . . . . 4880 1 1256 . 1 1 97 97 THR HG21 H 1 1.50 0.03 . 1 . . . . . . . . 4880 1 1257 . 1 1 97 97 THR HG22 H 1 1.50 0.03 . 1 . . . . . . . . 4880 1 1258 . 1 1 97 97 THR HG23 H 1 1.50 0.03 . 1 . . . . . . . . 4880 1 1259 . 1 1 97 97 THR C C 13 176.1 0.3 . 1 . . . . . . . . 4880 1 1260 . 1 1 97 97 THR CA C 13 66.8 0.3 . 1 . . . . . . . . 4880 1 1261 . 1 1 97 97 THR CB C 13 68.5 0.3 . 1 . . . . . . . . 4880 1 1262 . 1 1 97 97 THR CG2 C 13 24.4 0.3 . 1 . . . . . . . . 4880 1 1263 . 1 1 97 97 THR N N 15 121.4 0.3 . 1 . . . . . . . . 4880 1 1264 . 1 1 98 98 LEU H H 1 8.15 0.03 . 1 . . . . . . . . 4880 1 1265 . 1 1 98 98 LEU HA H 1 4.38 0.03 . 1 . . . . . . . . 4880 1 1266 . 1 1 98 98 LEU HB2 H 1 2.44 0.03 . 2 . . . . . . . . 4880 1 1267 . 1 1 98 98 LEU HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4880 1 1268 . 1 1 98 98 LEU HG H 1 2.36 0.03 . 1 . . . . . . . . 4880 1 1269 . 1 1 98 98 LEU HD11 H 1 1.04 0.03 . 2 . . . . . . . . 4880 1 1270 . 1 1 98 98 LEU HD12 H 1 1.04 0.03 . 2 . . . . . . . . 4880 1 1271 . 1 1 98 98 LEU HD13 H 1 1.04 0.03 . 2 . . . . . . . . 4880 1 1272 . 1 1 98 98 LEU HD21 H 1 1.05 0.03 . 2 . . . . . . . . 4880 1 1273 . 1 1 98 98 LEU HD22 H 1 1.05 0.03 . 2 . . . . . . . . 4880 1 1274 . 1 1 98 98 LEU HD23 H 1 1.05 0.03 . 2 . . . . . . . . 4880 1 1275 . 1 1 98 98 LEU C C 13 178.2 0.3 . 1 . . . . . . . . 4880 1 1276 . 1 1 98 98 LEU CA C 13 58.6 0.3 . 1 . . . . . . . . 4880 1 1277 . 1 1 98 98 LEU CB C 13 42.3 0.3 . 1 . . . . . . . . 4880 1 1278 . 1 1 98 98 LEU CG C 13 27.0 0.3 . 1 . . . . . . . . 4880 1 1279 . 1 1 98 98 LEU CD1 C 13 26.2 0.3 . 2 . . . . . . . . 4880 1 1280 . 1 1 98 98 LEU CD2 C 13 22.2 0.3 . 2 . . . . . . . . 4880 1 1281 . 1 1 98 98 LEU N N 15 121.0 0.3 . 1 . . . . . . . . 4880 1 1282 . 1 1 99 99 ILE H H 1 8.60 0.03 . 1 . . . . . . . . 4880 1 1283 . 1 1 99 99 ILE HA H 1 3.63 0.03 . 1 . . . . . . . . 4880 1 1284 . 1 1 99 99 ILE HB H 1 2.05 0.03 . 1 . . . . . . . . 4880 1 1285 . 1 1 99 99 ILE HG12 H 1 1.94 0.03 . 2 . . . . . . . . 4880 1 1286 . 1 1 99 99 ILE HG13 H 1 1.15 0.03 . 2 . . . . . . . . 4880 1 1287 . 1 1 99 99 ILE HG21 H 1 0.99 0.03 . 1 . . . . . . . . 4880 1 1288 . 1 1 99 99 ILE HG22 H 1 0.99 0.03 . 1 . . . . . . . . 4880 1 1289 . 1 1 99 99 ILE HG23 H 1 0.99 0.03 . 1 . . . . . . . . 4880 1 1290 . 1 1 99 99 ILE HD11 H 1 0.93 0.03 . 1 . . . . . . . . 4880 1 1291 . 1 1 99 99 ILE HD12 H 1 0.93 0.03 . 1 . . . . . . . . 4880 1 1292 . 1 1 99 99 ILE HD13 H 1 0.93 0.03 . 1 . . . . . . . . 4880 1 1293 . 1 1 99 99 ILE C C 13 178.9 0.3 . 1 . . . . . . . . 4880 1 1294 . 1 1 99 99 ILE CA C 13 65.2 0.3 . 1 . . . . . . . . 4880 1 1295 . 1 1 99 99 ILE CB C 13 38.4 0.3 . 1 . . . . . . . . 4880 1 1296 . 1 1 99 99 ILE CG1 C 13 29.7 0.3 . 1 . . . . . . . . 4880 1 1297 . 1 1 99 99 ILE CG2 C 13 17.1 0.3 . 1 . . . . . . . . 4880 1 1298 . 1 1 99 99 ILE CD1 C 13 13.8 0.4 . 1 . . . . . . . . 4880 1 1299 . 1 1 99 99 ILE N N 15 120.5 0.3 . 1 . . . . . . . . 4880 1 1300 . 1 1 100 100 ALA H H 1 8.37 0.03 . 1 . . . . . . . . 4880 1 1301 . 1 1 100 100 ALA HA H 1 4.278 0.03 . 1 . . . . . . . . 4880 1 1302 . 1 1 100 100 ALA HB1 H 1 1.70 0.03 . 1 . . . . . . . . 4880 1 1303 . 1 1 100 100 ALA HB2 H 1 1.70 0.03 . 1 . . . . . . . . 4880 1 1304 . 1 1 100 100 ALA HB3 H 1 1.70 0.03 . 1 . . . . . . . . 4880 1 1305 . 1 1 100 100 ALA C C 13 181.4 0.3 . 1 . . . . . . . . 4880 1 1306 . 1 1 100 100 ALA CA C 13 55.1 0.3 . 1 . . . . . . . . 4880 1 1307 . 1 1 100 100 ALA CB C 13 18.2 0.3 . 1 . . . . . . . . 4880 1 1308 . 1 1 100 100 ALA N N 15 124.1 0.3 . 1 . . . . . . . . 4880 1 1309 . 1 1 101 101 LEU H H 1 9.05 0.03 . 1 . . . . . . . . 4880 1 1310 . 1 1 101 101 LEU HA H 1 4.17 0.03 . 1 . . . . . . . . 4880 1 1311 . 1 1 101 101 LEU HB2 H 1 2.64 0.03 . 2 . . . . . . . . 4880 1 1312 . 1 1 101 101 LEU HB3 H 1 1.61 0.03 . 2 . . . . . . . . 4880 1 1313 . 1 1 101 101 LEU HG H 1 1.94 0.03 . 1 . . . . . . . . 4880 1 1314 . 1 1 101 101 LEU HD11 H 1 1.21 0.03 . 2 . . . . . . . . 4880 1 1315 . 1 1 101 101 LEU HD12 H 1 1.21 0.03 . 2 . . . . . . . . 4880 1 1316 . 1 1 101 101 LEU HD13 H 1 1.21 0.03 . 2 . . . . . . . . 4880 1 1317 . 1 1 101 101 LEU HD21 H 1 0.98 0.03 . 2 . . . . . . . . 4880 1 1318 . 1 1 101 101 LEU HD22 H 1 0.98 0.03 . 2 . . . . . . . . 4880 1 1319 . 1 1 101 101 LEU HD23 H 1 0.98 0.03 . 2 . . . . . . . . 4880 1 1320 . 1 1 101 101 LEU C C 13 177.4 0.3 . 1 . . . . . . . . 4880 1 1321 . 1 1 101 101 LEU CA C 13 58.0 0.3 . 1 . . . . . . . . 4880 1 1322 . 1 1 101 101 LEU CB C 13 42.3 0.3 . 1 . . . . . . . . 4880 1 1323 . 1 1 101 101 LEU CG C 13 27.5 0.3 . 1 . . . . . . . . 4880 1 1324 . 1 1 101 101 LEU CD1 C 13 26.6 0.3 . 2 . . . . . . . . 4880 1 1325 . 1 1 101 101 LEU CD2 C 13 24.6 0.3 . 2 . . . . . . . . 4880 1 1326 . 1 1 101 101 LEU N N 15 122.2 0.3 . 1 . . . . . . . . 4880 1 1327 . 1 1 102 102 ALA H H 1 8.35 0.03 . 1 . . . . . . . . 4880 1 1328 . 1 1 102 102 ALA HA H 1 3.39 0.03 . 1 . . . . . . . . 4880 1 1329 . 1 1 102 102 ALA HB1 H 1 0.45 0.03 . 1 . . . . . . . . 4880 1 1330 . 1 1 102 102 ALA HB2 H 1 0.45 0.03 . 1 . . . . . . . . 4880 1 1331 . 1 1 102 102 ALA HB3 H 1 0.45 0.03 . 1 . . . . . . . . 4880 1 1332 . 1 1 102 102 ALA C C 13 180.6 0.3 . 1 . . . . . . . . 4880 1 1333 . 1 1 102 102 ALA CA C 13 55.5 0.3 . 1 . . . . . . . . 4880 1 1334 . 1 1 102 102 ALA CB C 13 16.3 0.3 . 1 . . . . . . . . 4880 1 1335 . 1 1 102 102 ALA N N 15 122.2 0.3 . 1 . . . . . . . . 4880 1 1336 . 1 1 103 103 SER H H 1 8.11 0.03 . 1 . . . . . . . . 4880 1 1337 . 1 1 103 103 SER HA H 1 4.18 0.03 . 1 . . . . . . . . 4880 1 1338 . 1 1 103 103 SER HB2 H 1 4.03 0.03 . 2 . . . . . . . . 4880 1 1339 . 1 1 103 103 SER HB3 H 1 4.01 0.03 . 2 . . . . . . . . 4880 1 1340 . 1 1 103 103 SER C C 13 177.0 0.3 . 1 . . . . . . . . 4880 1 1341 . 1 1 103 103 SER CA C 13 61.2 0.3 . 1 . . . . . . . . 4880 1 1342 . 1 1 103 103 SER CB C 13 62.9 0.3 . 1 . . . . . . . . 4880 1 1343 . 1 1 103 103 SER N N 15 112.8 0.3 . 1 . . . . . . . . 4880 1 1344 . 1 1 104 104 GLN H H 1 8.09 0.03 . 1 . . . . . . . . 4880 1 1345 . 1 1 104 104 GLN HA H 1 4.21 0.03 . 1 . . . . . . . . 4880 1 1346 . 1 1 104 104 GLN HB2 H 1 2.29 0.03 . 2 . . . . . . . . 4880 1 1347 . 1 1 104 104 GLN HB3 H 1 2.21 0.03 . 2 . . . . . . . . 4880 1 1348 . 1 1 104 104 GLN HG2 H 1 2.21 0.03 . 2 . . . . . . . . 4880 1 1349 . 1 1 104 104 GLN HG3 H 1 2.11 0.03 . 2 . . . . . . . . 4880 1 1350 . 1 1 104 104 GLN HE21 H 1 7.22 0.03 . 2 . . . . . . . . 4880 1 1351 . 1 1 104 104 GLN HE22 H 1 6.70 0.03 . 2 . . . . . . . . 4880 1 1352 . 1 1 104 104 GLN C C 13 178.1 0.3 . 1 . . . . . . . . 4880 1 1353 . 1 1 104 104 GLN CA C 13 57.4 0.3 . 1 . . . . . . . . 4880 1 1354 . 1 1 104 104 GLN CB C 13 28.3 0.3 . 1 . . . . . . . . 4880 1 1355 . 1 1 104 104 GLN CG C 13 33.2 0.3 . 1 . . . . . . . . 4880 1 1356 . 1 1 104 104 GLN CD C 13 178.0 0.3 . 1 . . . . . . . . 4880 1 1357 . 1 1 104 104 GLN N N 15 122.5 0.3 . 1 . . . . . . . . 4880 1 1358 . 1 1 104 104 GLN NE2 N 15 110.6 0.3 . 1 . . . . . . . . 4880 1 1359 . 1 1 105 105 ALA H H 1 8.48 0.03 . 1 . . . . . . . . 4880 1 1360 . 1 1 105 105 ALA HA H 1 4.79 0.04 . 1 . . . . . . . . 4880 1 1361 . 1 1 105 105 ALA HB1 H 1 1.74 0.03 . 1 . . . . . . . . 4880 1 1362 . 1 1 105 105 ALA HB2 H 1 1.74 0.03 . 1 . . . . . . . . 4880 1 1363 . 1 1 105 105 ALA HB3 H 1 1.74 0.03 . 1 . . . . . . . . 4880 1 1364 . 1 1 105 105 ALA C C 13 179.1 0.3 . 1 . . . . . . . . 4880 1 1365 . 1 1 105 105 ALA CA C 13 53.9 0.3 . 1 . . . . . . . . 4880 1 1366 . 1 1 105 105 ALA CB C 13 19.6 0.3 . 1 . . . . . . . . 4880 1 1367 . 1 1 105 105 ALA N N 15 122.1 0.3 . 1 . . . . . . . . 4880 1 1368 . 1 1 106 106 LYS H H 1 7.57 0.03 . 1 . . . . . . . . 4880 1 1369 . 1 1 106 106 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . 4880 1 1370 . 1 1 106 106 LYS HB2 H 1 1.99 0.05 . 2 . . . . . . . . 4880 1 1371 . 1 1 106 106 LYS HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4880 1 1372 . 1 1 106 106 LYS HG2 H 1 1.60 0.03 . 2 . . . . . . . . 4880 1 1373 . 1 1 106 106 LYS HG3 H 1 1.54 0.03 . 2 . . . . . . . . 4880 1 1374 . 1 1 106 106 LYS HD2 H 1 1.70 0.03 . 1 . . . . . . . . 4880 1 1375 . 1 1 106 106 LYS HD3 H 1 1.70 0.03 . 1 . . . . . . . . 4880 1 1376 . 1 1 106 106 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 4880 1 1377 . 1 1 106 106 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 4880 1 1378 . 1 1 106 106 LYS C C 13 177.3 0.3 . 1 . . . . . . . . 4880 1 1379 . 1 1 106 106 LYS CA C 13 57.4 0.3 . 1 . . . . . . . . 4880 1 1380 . 1 1 106 106 LYS CB C 13 32.5 0.3 . 1 . . . . . . . . 4880 1 1381 . 1 1 106 106 LYS CG C 13 25.1 0.3 . 1 . . . . . . . . 4880 1 1382 . 1 1 106 106 LYS CD C 13 29.2 0.3 . 1 . . . . . . . . 4880 1 1383 . 1 1 106 106 LYS CE C 13 42.2 0.3 . 1 . . . . . . . . 4880 1 1384 . 1 1 106 106 LYS N N 15 116.8 0.3 . 1 . . . . . . . . 4880 1 1385 . 1 1 107 107 THR H H 1 7.81 0.03 . 1 . . . . . . . . 4880 1 1386 . 1 1 107 107 THR HA H 1 4.42 0.03 . 1 . . . . . . . . 4880 1 1387 . 1 1 107 107 THR HB H 1 4.33 0.04 . 1 . . . . . . . . 4880 1 1388 . 1 1 107 107 THR HG21 H 1 1.24 0.03 . 1 . . . . . . . . 4880 1 1389 . 1 1 107 107 THR HG22 H 1 1.24 0.03 . 1 . . . . . . . . 4880 1 1390 . 1 1 107 107 THR HG23 H 1 1.24 0.03 . 1 . . . . . . . . 4880 1 1391 . 1 1 107 107 THR C C 13 174.0 0.3 . 1 . . . . . . . . 4880 1 1392 . 1 1 107 107 THR CA C 13 62.2 0.3 . 1 . . . . . . . . 4880 1 1393 . 1 1 107 107 THR CB C 13 69.9 0.3 . 1 . . . . . . . . 4880 1 1394 . 1 1 107 107 THR CG2 C 13 21.6 0.3 . 1 . . . . . . . . 4880 1 1395 . 1 1 107 107 THR N N 15 111.6 0.3 . 1 . . . . . . . . 4880 1 1396 . 1 1 108 108 LYS H H 1 7.55 0.03 . 1 . . . . . . . . 4880 1 1397 . 1 1 108 108 LYS HA H 1 4.19 0.03 . 1 . . . . . . . . 4880 1 1398 . 1 1 108 108 LYS HB2 H 1 1.93 0.03 . 2 . . . . . . . . 4880 1 1399 . 1 1 108 108 LYS HB3 H 1 1.84 0.03 . 2 . . . . . . . . 4880 1 1400 . 1 1 108 108 LYS HG2 H 1 1.46 0.03 . 1 . . . . . . . . 4880 1 1401 . 1 1 108 108 LYS HG3 H 1 1.46 0.03 . 1 . . . . . . . . 4880 1 1402 . 1 1 108 108 LYS HD2 H 1 1.58 0.03 . 1 . . . . . . . . 4880 1 1403 . 1 1 108 108 LYS HD3 H 1 1.58 0.03 . 1 . . . . . . . . 4880 1 1404 . 1 1 108 108 LYS HE2 H 1 2.74 0.03 . 2 . . . . . . . . 4880 1 1405 . 1 1 108 108 LYS HE3 H 1 2.67 0.03 . 2 . . . . . . . . 4880 1 1406 . 1 1 108 108 LYS CA C 13 57.5 0.3 . 1 . . . . . . . . 4880 1 1407 . 1 1 108 108 LYS CB C 13 33.5 0.3 . 1 . . . . . . . . 4880 1 1408 . 1 1 108 108 LYS CG C 13 24.8 0.3 . 1 . . . . . . . . 4880 1 1409 . 1 1 108 108 LYS CD C 13 28.9 0.3 . 1 . . . . . . . . 4880 1 1410 . 1 1 108 108 LYS CE C 13 42.3 0.3 . 1 . . . . . . . . 4880 1 1411 . 1 1 108 108 LYS N N 15 128.3 0.3 . 1 . . . . . . . . 4880 1 stop_ save_