data_6270 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6270 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for chPrP(25-242) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-22 _Entry.Accession_date 2004-07-22 _Entry.Last_release_date 2004-10-18 _Entry.Original_release_date 2004-10-18 _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 Dominikus Lysek . A. . 6270 2 Luigi Calzolai . . . 6270 3 Kurt Wuthrich . . . 6270 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6270 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 160 6270 '15N chemical shifts' 82 6270 '1H chemical shifts' 476 6270 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 . . 2004-10-18 2004-07-22 original author . 6270 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6270 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15459548 _Citation.Full_citation . _Citation.Title ; Letters to the Editor: NMR assignment of the chicken prion protein fragments chPrP(128-242) and chPrP(25-242) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 1 _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 97 _Citation.Page_last 97 _Citation.Year 2004 _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 Dominikus Lysek . A. . 6270 1 2 Luigi Calzolai . . . 6270 1 3 Kurt Wuthrich . . . 6270 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6270 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 1715573 _Citation.Full_citation ; Harris DA, Falls DL, Johnson FA, Fischbach GD. Related Articles, Links Free in PMC A prion-like protein from chicken brain copurifies with an acetylcholine receptor-inducing activity. Proc Natl Acad Sci U S A. 1991 Sep 1;88(17):7664-8. ; _Citation.Title 'A prion-like protein from chicken brain copurifies with an acetylcholine receptor-inducing activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 88 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0027-8424 _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 7664 _Citation.Page_last 7668 _Citation.Year 1991 _Citation.Details ; The mammalian prion protein (PrPC) is a cellular protein of unknown function, an altered isoform of which (PrPSc) is a component of the infectious particle (prion) thought to be responsible for spongiform encephalopathies in humans and animals. We report here the isolation of a cDNA that encodes a chicken protein that is homologous to PrPC. This chicken prion-like protein (ch-PrLP) is identical to the mouse PrP at 33% of its amino acid positions, including an uninterrupted stretch of 24 identical residues, and it displays the same structural domains. In addition, ch-PrLP, like its mammalian counterpart, is attached to the cell surface by a glycosyl-phosphatidylinositol anchor. We find that ch-PrLP is the major protein in preparations of an acetylcholine receptor-inducing activity that has been purified greater than 10(6)-fold from brain on the basis of its ability to stimulate synthesis of nicotinic receptors by cultured myotubes. The ch-PrLP gene is expressed in the spinal cord and brain as early as embryonic day 6; and in the spinal cord, the protein appears to be concentrated in motor neurons. Our results therefore raise the possibility that prion proteins serve normally to regulate the chemoreceptor number at the neuromuscular junction and perhaps in the central nervous system as well. ; 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 A' Harris D. A. . 6270 2 2 'D L' Falls D. L. . 6270 2 3 'F A' Johnson F. A. . 6270 2 4 'G D' Fischbach G. D. . 6270 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 6270 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9280298 _Citation.Full_citation ; Riek R, Hornemann S, Wider G, Glockshuber R, Wuthrich K. Related Articles, Links Abstract NMR characterization of the full-length recombinant murine prion protein, mPrP(23-231). FEBS Lett. 1997 Aug 18;413(2):282-8. ; _Citation.Title 'NMR characterization of the full-length recombinant murine prion protein, mPrP(23-231).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 413 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _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 282 _Citation.Page_last 288 _Citation.Year 1997 _Citation.Details ; The recombinant murine prion protein, mPrP(23-231), was expressed in E. coli with uniform 15N-labeling. NMR experiments showed that the previously determined globular three-dimensional structure of the C-terminal domain mPrP(121-231) is preserved in the intact protein, and that the N-terminal polypeptide segment 23-120 is flexibly disordered. This structural information is based on nearly complete sequence-specific assignments for the backbone amide nitrogens, amide protons and alpha-protols of the polypeptide segment of residues 121-231 in mPrP(23-231). Coincidence of corresponding sequential and medium-range nuclear Overhauser effects (NOE) showed that the helical secondary structures previously identified in mPrP(121-231) are also present in mPrP(23-231), and near-identity of corresponding amide nitrogen and amide proton chemical shifts indicates that the three-dimensional fold of mPrP(121-231) is also preserved in the intact protein. The linewidths in heteronuclear 1H-15N correlation spectra and 15N[1H]-NOEs showed that the well structured residues 126-230 have correlation times of several nanoseconds, as is typical for small globular proteins, whereas correlation times shorter than 1 nanosecond were observed for all residues of mPrP(23-231) outside of this domain. ; 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 R Riek R. . . 6270 3 2 S Hornemann S. . . 6270 3 3 G Wider G. . . 6270 3 4 R Glockshuber R. . . 6270 3 5 K Wuthrich K. . . 6270 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_chPrP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_chPrP _Assembly.Entry_ID 6270 _Assembly.ID 1 _Assembly.Name 'chPrP (25-242)' _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 'not present' _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 6270 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 'chPrP (25-242)' 1 $chPrP . . . native . . . . . 6270 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID chPrP abbreviation 6270 1 'chPrP (25-242)' system 6270 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_chPrP _Entity.Sf_category entity _Entity.Sf_framecode chPrP _Entity.Entry_ID 6270 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'chicken prion protein' _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 ; GSKKGKGKPSGGGWGAGSHR QPSYPRQPGYPHNPGYPHNP GYPHNPGYPHNPGYPQNPGY PHNPGYPGWGQGYNPSSGGS YHNQKPWKPPKTNFKHVAGA AAAGAVV ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 GB AAA49041 . "prion-like protein [Gallus gallus]" . . . . . 99.07 267 100.00 100.00 3.36e-65 . . . . 6270 1 2 no GB AAF73436 . "prion protein [Columba rupestris]" . . . . . 99.07 266 99.06 100.00 1.36e-64 . . . . 6270 1 3 no GB AAF73437 . "prion protein [Coturnix coturnix]" . . . . . 99.07 266 100.00 100.00 2.77e-65 . . . . 6270 1 4 no GB AAR21236 . "prion protein [Pavo muticus]" . . . . . 99.07 266 98.11 98.11 2.51e-63 . . . . 6270 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'chicken prion protein' common 6270 1 chPrP abbreviation 6270 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 23 GLY . 6270 1 2 24 SER . 6270 1 3 25 LYS . 6270 1 4 26 LYS . 6270 1 5 27 GLY . 6270 1 6 28 LYS . 6270 1 7 29 GLY . 6270 1 8 30 LYS . 6270 1 9 31 PRO . 6270 1 10 32 SER . 6270 1 11 33 GLY . 6270 1 12 34 GLY . 6270 1 13 35 GLY . 6270 1 14 36 TRP . 6270 1 15 37 GLY . 6270 1 16 38 ALA . 6270 1 17 39 GLY . 6270 1 18 40 SER . 6270 1 19 41 HIS . 6270 1 20 42 ARG . 6270 1 21 43 GLN . 6270 1 22 44 PRO . 6270 1 23 45 SER . 6270 1 24 46 TYR . 6270 1 25 47 PRO . 6270 1 26 48 ARG . 6270 1 27 49 GLN . 6270 1 28 50 PRO . 6270 1 29 51 GLY . 6270 1 30 52 TYR . 6270 1 31 53 PRO . 6270 1 32 54 HIS . 6270 1 33 55 ASN . 6270 1 34 56 PRO . 6270 1 35 57 GLY . 6270 1 36 58 TYR . 6270 1 37 59 PRO . 6270 1 38 60 HIS . 6270 1 39 61 ASN . 6270 1 40 62 PRO . 6270 1 41 63 GLY . 6270 1 42 64 TYR . 6270 1 43 65 PRO . 6270 1 44 66 HIS . 6270 1 45 67 ASN . 6270 1 46 68 PRO . 6270 1 47 69 GLY . 6270 1 48 70 TYR . 6270 1 49 71 PRO . 6270 1 50 72 HIS . 6270 1 51 73 ASN . 6270 1 52 74 PRO . 6270 1 53 75 GLY . 6270 1 54 76 TYR . 6270 1 55 77 PRO . 6270 1 56 78 GLN . 6270 1 57 79 ASN . 6270 1 58 80 PRO . 6270 1 59 81 GLY . 6270 1 60 82 TYR . 6270 1 61 83 PRO . 6270 1 62 84 HIS . 6270 1 63 85 ASN . 6270 1 64 86 PRO . 6270 1 65 87 GLY . 6270 1 66 88 TYR . 6270 1 67 89 PRO . 6270 1 68 90 GLY . 6270 1 69 91 TRP . 6270 1 70 92 GLY . 6270 1 71 93 GLN . 6270 1 72 94 GLY . 6270 1 73 95 TYR . 6270 1 74 96 ASN . 6270 1 75 97 PRO . 6270 1 76 98 SER . 6270 1 77 99 SER . 6270 1 78 100 GLY . 6270 1 79 101 GLY . 6270 1 80 102 SER . 6270 1 81 103 TYR . 6270 1 82 104 HIS . 6270 1 83 105 ASN . 6270 1 84 106 GLN . 6270 1 85 107 LYS . 6270 1 86 108 PRO . 6270 1 87 109 TRP . 6270 1 88 110 LYS . 6270 1 89 111 PRO . 6270 1 90 112 PRO . 6270 1 91 113 LYS . 6270 1 92 114 THR . 6270 1 93 115 ASN . 6270 1 94 116 PHE . 6270 1 95 117 LYS . 6270 1 96 118 HIS . 6270 1 97 119 VAL . 6270 1 98 120 ALA . 6270 1 99 121 GLY . 6270 1 100 122 ALA . 6270 1 101 123 ALA . 6270 1 102 124 ALA . 6270 1 103 125 ALA . 6270 1 104 126 GLY . 6270 1 105 127 ALA . 6270 1 106 128 VAL . 6270 1 107 129 VAL . 6270 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6270 1 . SER 2 2 6270 1 . LYS 3 3 6270 1 . LYS 4 4 6270 1 . GLY 5 5 6270 1 . LYS 6 6 6270 1 . GLY 7 7 6270 1 . LYS 8 8 6270 1 . PRO 9 9 6270 1 . SER 10 10 6270 1 . GLY 11 11 6270 1 . GLY 12 12 6270 1 . GLY 13 13 6270 1 . TRP 14 14 6270 1 . GLY 15 15 6270 1 . ALA 16 16 6270 1 . GLY 17 17 6270 1 . SER 18 18 6270 1 . HIS 19 19 6270 1 . ARG 20 20 6270 1 . GLN 21 21 6270 1 . PRO 22 22 6270 1 . SER 23 23 6270 1 . TYR 24 24 6270 1 . PRO 25 25 6270 1 . ARG 26 26 6270 1 . GLN 27 27 6270 1 . PRO 28 28 6270 1 . GLY 29 29 6270 1 . TYR 30 30 6270 1 . PRO 31 31 6270 1 . HIS 32 32 6270 1 . ASN 33 33 6270 1 . PRO 34 34 6270 1 . GLY 35 35 6270 1 . TYR 36 36 6270 1 . PRO 37 37 6270 1 . HIS 38 38 6270 1 . ASN 39 39 6270 1 . PRO 40 40 6270 1 . GLY 41 41 6270 1 . TYR 42 42 6270 1 . PRO 43 43 6270 1 . HIS 44 44 6270 1 . ASN 45 45 6270 1 . PRO 46 46 6270 1 . GLY 47 47 6270 1 . TYR 48 48 6270 1 . PRO 49 49 6270 1 . HIS 50 50 6270 1 . ASN 51 51 6270 1 . PRO 52 52 6270 1 . GLY 53 53 6270 1 . TYR 54 54 6270 1 . PRO 55 55 6270 1 . GLN 56 56 6270 1 . ASN 57 57 6270 1 . PRO 58 58 6270 1 . GLY 59 59 6270 1 . TYR 60 60 6270 1 . PRO 61 61 6270 1 . HIS 62 62 6270 1 . ASN 63 63 6270 1 . PRO 64 64 6270 1 . GLY 65 65 6270 1 . TYR 66 66 6270 1 . PRO 67 67 6270 1 . GLY 68 68 6270 1 . TRP 69 69 6270 1 . GLY 70 70 6270 1 . GLN 71 71 6270 1 . GLY 72 72 6270 1 . TYR 73 73 6270 1 . ASN 74 74 6270 1 . PRO 75 75 6270 1 . SER 76 76 6270 1 . SER 77 77 6270 1 . GLY 78 78 6270 1 . GLY 79 79 6270 1 . SER 80 80 6270 1 . TYR 81 81 6270 1 . HIS 82 82 6270 1 . ASN 83 83 6270 1 . GLN 84 84 6270 1 . LYS 85 85 6270 1 . PRO 86 86 6270 1 . TRP 87 87 6270 1 . LYS 88 88 6270 1 . PRO 89 89 6270 1 . PRO 90 90 6270 1 . LYS 91 91 6270 1 . THR 92 92 6270 1 . ASN 93 93 6270 1 . PHE 94 94 6270 1 . LYS 95 95 6270 1 . HIS 96 96 6270 1 . VAL 97 97 6270 1 . ALA 98 98 6270 1 . GLY 99 99 6270 1 . ALA 100 100 6270 1 . ALA 101 101 6270 1 . ALA 102 102 6270 1 . ALA 103 103 6270 1 . GLY 104 104 6270 1 . ALA 105 105 6270 1 . VAL 106 106 6270 1 . VAL 107 107 6270 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 6270 _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 $chPrP . 9031 . . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 6270 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 6270 _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 $chPrP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6270 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6270 _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 'chicken prion protein' '[U-30% 13C; U-30% 15N]' . . 1 $chPrP . . 1.0 . . mM . . . . 6270 1 2 'sodium acetate' . . . . . . . 10 . . mM . . . . 6270 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6270 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 0.02 mM 6270 1 pH 4.3 0.1 n/a 6270 1 temperature 293 1 K 6270 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6270 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6270 _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_1 Bruker DRX . 750 . . . 6270 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 6270 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6270 1 2 '1H-13N NOESY aliphatic, aromatic' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6270 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 6270 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6270 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13N NOESY aliphatic, aromatic' _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 6270 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6270 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6270 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6270 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 6270 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 . 6270 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 GLY CA C 13 42.9 0.05 . 1 . . . . . . . . 6270 1 2 . 1 1 1 1 GLY HA2 H 1 3.79 0.005 . 1 . . . . . . . . 6270 1 3 . 1 1 1 1 GLY HA3 H 1 3.79 0.005 . 1 . . . . . . . . 6270 1 4 . 1 1 2 2 SER N N 15 115.4 0.05 . 1 . . . . . . . . 6270 1 5 . 1 1 2 2 SER H H 1 8.59 0.005 . 1 . . . . . . . . 6270 1 6 . 1 1 2 2 SER CA C 13 57.8 0.05 . 1 . . . . . . . . 6270 1 7 . 1 1 2 2 SER HA H 1 4.41 0.005 . 1 . . . . . . . . 6270 1 8 . 1 1 3 3 LYS N N 15 123.5 0.05 . 1 . . . . . . . . 6270 1 9 . 1 1 3 3 LYS H H 1 8.45 0.005 . 1 . . . . . . . . 6270 1 10 . 1 1 3 3 LYS CA C 13 55.9 0.05 . 1 . . . . . . . . 6270 1 11 . 1 1 3 3 LYS HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 12 . 1 1 3 3 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 6270 1 13 . 1 1 3 3 LYS HB2 H 1 1.75 0.005 . 2 . . . . . . . . 6270 1 14 . 1 1 3 3 LYS HB3 H 1 1.64 0.005 . 2 . . . . . . . . 6270 1 15 . 1 1 3 3 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . 6270 1 16 . 1 1 3 3 LYS HG2 H 1 1.37 0.005 . 1 . . . . . . . . 6270 1 17 . 1 1 3 3 LYS HG3 H 1 1.37 0.005 . 1 . . . . . . . . 6270 1 18 . 1 1 3 3 LYS CD C 13 28.7 0.05 . 1 . . . . . . . . 6270 1 19 . 1 1 3 3 LYS HD2 H 1 1.57 0.005 . 1 . . . . . . . . 6270 1 20 . 1 1 3 3 LYS HD3 H 1 1.57 0.005 . 1 . . . . . . . . 6270 1 21 . 1 1 3 3 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 6270 1 22 . 1 1 3 3 LYS HE2 H 1 2.90 0.005 . 1 . . . . . . . . 6270 1 23 . 1 1 3 3 LYS HE3 H 1 2.90 0.005 . 1 . . . . . . . . 6270 1 24 . 1 1 4 4 LYS N N 15 122.8 0.05 . 1 . . . . . . . . 6270 1 25 . 1 1 4 4 LYS H H 1 8.35 0.005 . 1 . . . . . . . . 6270 1 26 . 1 1 4 4 LYS CA C 13 55.9 0.05 . 1 . . . . . . . . 6270 1 27 . 1 1 4 4 LYS HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 28 . 1 1 4 4 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 6270 1 29 . 1 1 4 4 LYS HB2 H 1 1.74 0.005 . 2 . . . . . . . . 6270 1 30 . 1 1 4 4 LYS HB3 H 1 1.63 0.005 . 2 . . . . . . . . 6270 1 31 . 1 1 4 4 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . 6270 1 32 . 1 1 4 4 LYS HG2 H 1 1.32 0.005 . 1 . . . . . . . . 6270 1 33 . 1 1 4 4 LYS HG3 H 1 1.32 0.005 . 1 . . . . . . . . 6270 1 34 . 1 1 4 4 LYS CD C 13 28.7 0.05 . 1 . . . . . . . . 6270 1 35 . 1 1 4 4 LYS HD2 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 36 . 1 1 4 4 LYS HD3 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 37 . 1 1 4 4 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 6270 1 38 . 1 1 4 4 LYS HE2 H 1 2.88 0.005 . 1 . . . . . . . . 6270 1 39 . 1 1 4 4 LYS HE3 H 1 2.88 0.005 . 1 . . . . . . . . 6270 1 40 . 1 1 5 5 GLY N N 15 110.5 0.05 . 1 . . . . . . . . 6270 1 41 . 1 1 5 5 GLY H H 1 8.33 0.005 . 1 . . . . . . . . 6270 1 42 . 1 1 5 5 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 43 . 1 1 5 5 GLY HA2 H 1 3.83 0.005 . 1 . . . . . . . . 6270 1 44 . 1 1 5 5 GLY HA3 H 1 3.83 0.005 . 1 . . . . . . . . 6270 1 45 . 1 1 6 6 LYS N N 15 120.6 0.05 . 1 . . . . . . . . 6270 1 46 . 1 1 6 6 LYS H H 1 8.23 0.005 . 1 . . . . . . . . 6270 1 47 . 1 1 6 6 LYS CA C 13 56.4 0.05 . 1 . . . . . . . . 6270 1 48 . 1 1 6 6 LYS HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 49 . 1 1 6 6 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 6270 1 50 . 1 1 6 6 LYS HB2 H 1 1.67 0.005 . 1 . . . . . . . . 6270 1 51 . 1 1 6 6 LYS HB3 H 1 1.67 0.005 . 1 . . . . . . . . 6270 1 52 . 1 1 6 6 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . 6270 1 53 . 1 1 6 6 LYS HG2 H 1 1.34 0.005 . 1 . . . . . . . . 6270 1 54 . 1 1 6 6 LYS HG3 H 1 1.34 0.005 . 1 . . . . . . . . 6270 1 55 . 1 1 6 6 LYS CD C 13 28.7 0.05 . 1 . . . . . . . . 6270 1 56 . 1 1 6 6 LYS HD2 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 57 . 1 1 6 6 LYS HD3 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 58 . 1 1 6 6 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 6270 1 59 . 1 1 6 6 LYS HE2 H 1 2.55 0.005 . 1 . . . . . . . . 6270 1 60 . 1 1 6 6 LYS HE3 H 1 2.55 0.005 . 1 . . . . . . . . 6270 1 61 . 1 1 7 7 GLY N N 15 109.9 0.05 . 1 . . . . . . . . 6270 1 62 . 1 1 7 7 GLY H H 1 8.39 0.005 . 1 . . . . . . . . 6270 1 63 . 1 1 7 7 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 64 . 1 1 7 7 GLY HA2 H 1 3.87 0.005 . 2 . . . . . . . . 6270 1 65 . 1 1 7 7 GLY HA3 H 1 3.84 0.005 . 2 . . . . . . . . 6270 1 66 . 1 1 8 8 LYS N N 15 121.9 0.05 . 1 . . . . . . . . 6270 1 67 . 1 1 8 8 LYS H H 1 8.31 0.005 . 1 . . . . . . . . 6270 1 68 . 1 1 8 8 LYS CA C 13 53.8 0.05 . 1 . . . . . . . . 6270 1 69 . 1 1 8 8 LYS HA H 1 4.50 0.005 . 1 . . . . . . . . 6270 1 70 . 1 1 8 8 LYS CB C 13 32.2 0.05 . 1 . . . . . . . . 6270 1 71 . 1 1 8 8 LYS HB2 H 1 1.69 0.005 . 2 . . . . . . . . 6270 1 72 . 1 1 8 8 LYS HB3 H 1 1.59 0.005 . 2 . . . . . . . . 6270 1 73 . 1 1 8 8 LYS CG C 13 24.3 0.05 . 1 . . . . . . . . 6270 1 74 . 1 1 8 8 LYS HG2 H 1 1.33 0.005 . 1 . . . . . . . . 6270 1 75 . 1 1 8 8 LYS HG3 H 1 1.33 0.005 . 1 . . . . . . . . 6270 1 76 . 1 1 8 8 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 6270 1 77 . 1 1 8 8 LYS HD2 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 78 . 1 1 8 8 LYS HD3 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 79 . 1 1 8 8 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 6270 1 80 . 1 1 8 8 LYS HE2 H 1 2.72 0.005 . 1 . . . . . . . . 6270 1 81 . 1 1 8 8 LYS HE3 H 1 2.72 0.005 . 1 . . . . . . . . 6270 1 82 . 1 1 9 9 PRO CD C 13 50.3 0.05 . 1 . . . . . . . . 6270 1 83 . 1 1 9 9 PRO CA C 13 62.7 0.05 . 1 . . . . . . . . 6270 1 84 . 1 1 9 9 PRO HA H 1 4.33 0.005 . 1 . . . . . . . . 6270 1 85 . 1 1 9 9 PRO CB C 13 31.5 0.05 . 1 . . . . . . . . 6270 1 86 . 1 1 9 9 PRO HB2 H 1 2.16 0.005 . 2 . . . . . . . . 6270 1 87 . 1 1 9 9 PRO HB3 H 1 1.77 0.005 . 2 . . . . . . . . 6270 1 88 . 1 1 9 9 PRO CG C 13 27.0 0.05 . 1 . . . . . . . . 6270 1 89 . 1 1 9 9 PRO HG2 H 1 1.88 0.005 . 1 . . . . . . . . 6270 1 90 . 1 1 9 9 PRO HG3 H 1 1.88 0.005 . 1 . . . . . . . . 6270 1 91 . 1 1 9 9 PRO HD2 H 1 3.71 0.005 . 2 . . . . . . . . 6270 1 92 . 1 1 9 9 PRO HD3 H 1 3.49 0.005 . 2 . . . . . . . . 6270 1 93 . 1 1 10 10 SER N N 15 116.4 0.05 . 1 . . . . . . . . 6270 1 94 . 1 1 10 10 SER H H 1 8.40 0.005 . 1 . . . . . . . . 6270 1 95 . 1 1 10 10 SER CA C 13 58.0 0.05 . 1 . . . . . . . . 6270 1 96 . 1 1 10 10 SER HA H 1 4.34 0.005 . 1 . . . . . . . . 6270 1 97 . 1 1 10 10 SER HB2 H 1 3.74 0.005 . 1 . . . . . . . . 6270 1 98 . 1 1 10 10 SER HB3 H 1 3.74 0.005 . 1 . . . . . . . . 6270 1 99 . 1 1 11 11 GLY N N 15 110.7 0.05 . 1 . . . . . . . . 6270 1 100 . 1 1 11 11 GLY H H 1 8.38 0.005 . 1 . . . . . . . . 6270 1 101 . 1 1 11 11 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 102 . 1 1 11 11 GLY HA2 H 1 3.90 0.005 . 1 . . . . . . . . 6270 1 103 . 1 1 11 11 GLY HA3 H 1 3.90 0.005 . 1 . . . . . . . . 6270 1 104 . 1 1 12 12 GLY N N 15 108.3 0.05 . 1 . . . . . . . . 6270 1 105 . 1 1 12 12 GLY H H 1 8.14 0.005 . 1 . . . . . . . . 6270 1 106 . 1 1 12 12 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 107 . 1 1 12 12 GLY HA2 H 1 3.84 0.005 . 1 . . . . . . . . 6270 1 108 . 1 1 12 12 GLY HA3 H 1 3.84 0.005 . 1 . . . . . . . . 6270 1 109 . 1 1 13 13 GLY N N 15 108.3 0.05 . 1 . . . . . . . . 6270 1 110 . 1 1 13 13 GLY H H 1 8.17 0.005 . 1 . . . . . . . . 6270 1 111 . 1 1 13 13 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 112 . 1 1 13 13 GLY HA2 H 1 3.80 0.005 . 1 . . . . . . . . 6270 1 113 . 1 1 13 13 GLY HA3 H 1 3.80 0.005 . 1 . . . . . . . . 6270 1 114 . 1 1 14 14 TRP N N 15 120.6 0.05 . 1 . . . . . . . . 6270 1 115 . 1 1 14 14 TRP H H 1 8.02 0.005 . 1 . . . . . . . . 6270 1 116 . 1 1 14 14 TRP CA C 13 56.8 0.05 . 1 . . . . . . . . 6270 1 117 . 1 1 14 14 TRP HA H 1 4.54 0.005 . 1 . . . . . . . . 6270 1 118 . 1 1 14 14 TRP CB C 13 29.1 0.05 . 1 . . . . . . . . 6270 1 119 . 1 1 14 14 TRP HB2 H 1 3.20 0.005 . 2 . . . . . . . . 6270 1 120 . 1 1 14 14 TRP HB3 H 1 3.10 0.005 . 2 . . . . . . . . 6270 1 121 . 1 1 15 15 GLY N N 15 110.5 0.05 . 1 . . . . . . . . 6270 1 122 . 1 1 15 15 GLY H H 1 8.31 0.005 . 1 . . . . . . . . 6270 1 123 . 1 1 15 15 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 124 . 1 1 15 15 GLY HA2 H 1 3.78 0.005 . 1 . . . . . . . . 6270 1 125 . 1 1 15 15 GLY HA3 H 1 3.78 0.005 . 1 . . . . . . . . 6270 1 126 . 1 1 16 16 ALA N N 15 123.7 0.05 . 1 . . . . . . . . 6270 1 127 . 1 1 16 16 ALA H H 1 8.14 0.005 . 1 . . . . . . . . 6270 1 128 . 1 1 16 16 ALA CA C 13 52.7 0.05 . 1 . . . . . . . . 6270 1 129 . 1 1 16 16 ALA HA H 1 4.17 0.005 . 1 . . . . . . . . 6270 1 130 . 1 1 16 16 ALA HB1 H 1 1.31 0.005 . 1 . . . . . . . . 6270 1 131 . 1 1 16 16 ALA HB2 H 1 1.31 0.005 . 1 . . . . . . . . 6270 1 132 . 1 1 16 16 ALA HB3 H 1 1.31 0.005 . 1 . . . . . . . . 6270 1 133 . 1 1 16 16 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 6270 1 134 . 1 1 17 17 GLY N N 15 107.9 0.05 . 1 . . . . . . . . 6270 1 135 . 1 1 17 17 GLY H H 1 8.34 0.005 . 1 . . . . . . . . 6270 1 136 . 1 1 17 17 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 137 . 1 1 17 17 GLY HA2 H 1 3.85 0.005 . 1 . . . . . . . . 6270 1 138 . 1 1 17 17 GLY HA3 H 1 3.85 0.005 . 1 . . . . . . . . 6270 1 139 . 1 1 18 18 SER N N 15 115.1 0.05 . 1 . . . . . . . . 6270 1 140 . 1 1 18 18 SER H H 1 8.01 0.005 . 1 . . . . . . . . 6270 1 141 . 1 1 18 18 SER CA C 13 58.0 0.05 . 1 . . . . . . . . 6270 1 142 . 1 1 18 18 SER HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 143 . 1 1 18 18 SER CB C 13 63.4 0.05 . 1 . . . . . . . . 6270 1 144 . 1 1 18 18 SER HB2 H 1 3.68 0.005 . 1 . . . . . . . . 6270 1 145 . 1 1 18 18 SER HB3 H 1 3.68 0.005 . 1 . . . . . . . . 6270 1 146 . 1 1 19 19 HIS N N 15 120.0 0.05 . 1 . . . . . . . . 6270 1 147 . 1 1 19 19 HIS H H 1 8.44 0.005 . 1 . . . . . . . . 6270 1 148 . 1 1 19 19 HIS CA C 13 54.5 0.05 . 1 . . . . . . . . 6270 1 149 . 1 1 19 19 HIS HA H 1 4.53 0.005 . 1 . . . . . . . . 6270 1 150 . 1 1 19 19 HIS CB C 13 28.7 0.05 . 1 . . . . . . . . 6270 1 151 . 1 1 19 19 HIS HB2 H 1 3.03 0.005 . 1 . . . . . . . . 6270 1 152 . 1 1 19 19 HIS HB3 H 1 3.03 0.005 . 1 . . . . . . . . 6270 1 153 . 1 1 19 19 HIS HD1 H 1 7.01 0.005 . 1 . . . . . . . . 6270 1 154 . 1 1 20 20 ARG N N 15 121.1 0.05 . 1 . . . . . . . . 6270 1 155 . 1 1 20 20 ARG H H 1 8.24 0.005 . 1 . . . . . . . . 6270 1 156 . 1 1 20 20 ARG CA C 13 35.7 0.05 . 1 . . . . . . . . 6270 1 157 . 1 1 20 20 ARG HA H 1 4.21 0.005 . 1 . . . . . . . . 6270 1 158 . 1 1 20 20 ARG CB C 13 30.3 0.05 . 1 . . . . . . . . 6270 1 159 . 1 1 20 20 ARG HB2 H 1 1.70 0.005 . 2 . . . . . . . . 6270 1 160 . 1 1 20 20 ARG HB3 H 1 1.64 0.005 . 2 . . . . . . . . 6270 1 161 . 1 1 20 20 ARG CG C 13 26.6 0.05 . 1 . . . . . . . . 6270 1 162 . 1 1 20 20 ARG HG2 H 1 1.53 0.005 . 1 . . . . . . . . 6270 1 163 . 1 1 20 20 ARG HG3 H 1 1.53 0.005 . 1 . . . . . . . . 6270 1 164 . 1 1 20 20 ARG CD C 13 43.1 0.05 . 1 . . . . . . . . 6270 1 165 . 1 1 20 20 ARG HD2 H 1 3.15 0.005 . 1 . . . . . . . . 6270 1 166 . 1 1 20 20 ARG HD3 H 1 3.15 0.005 . 1 . . . . . . . . 6270 1 167 . 1 1 21 21 GLN N N 15 123.0 0.05 . 1 . . . . . . . . 6270 1 168 . 1 1 21 21 GLN H H 1 8.41 0.005 . 1 . . . . . . . . 6270 1 169 . 1 1 21 21 GLN CA C 13 53.4 0.05 . 1 . . . . . . . . 6270 1 170 . 1 1 21 21 GLN HA H 1 4.50 0.005 . 1 . . . . . . . . 6270 1 171 . 1 1 21 21 GLN HB2 H 1 1.97 0.005 . 2 . . . . . . . . 6270 1 172 . 1 1 21 21 GLN HB3 H 1 1.82 0.005 . 2 . . . . . . . . 6270 1 173 . 1 1 22 22 PRO CA C 13 62.7 0.05 . 1 . . . . . . . . 6270 1 174 . 1 1 22 22 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 175 . 1 1 22 22 PRO HB2 H 1 2.10 0.005 . 2 . . . . . . . . 6270 1 176 . 1 1 22 22 PRO HD2 H 1 3.61 0.005 . 2 . . . . . . . . 6270 1 177 . 1 1 23 23 SER N N 15 115.4 0.05 . 1 . . . . . . . . 6270 1 178 . 1 1 23 23 SER H H 1 8.14 0.005 . 1 . . . . . . . . 6270 1 179 . 1 1 23 23 SER CA C 13 57.3 0.05 . 1 . . . . . . . . 6270 1 180 . 1 1 23 23 SER HA H 1 4.28 0.005 . 1 . . . . . . . . 6270 1 181 . 1 1 23 23 SER CB C 13 63.4 0.05 . 1 . . . . . . . . 6270 1 182 . 1 1 23 23 SER HB2 H 1 3.63 0.005 . 1 . . . . . . . . 6270 1 183 . 1 1 23 23 SER HB3 H 1 3.63 0.005 . 1 . . . . . . . . 6270 1 184 . 1 1 24 24 TYR N N 15 122.6 0.05 . 1 . . . . . . . . 6270 1 185 . 1 1 24 24 TYR H H 1 8.10 0.005 . 1 . . . . . . . . 6270 1 186 . 1 1 24 24 TYR HA H 1 4.73 0.005 . 1 . . . . . . . . 6270 1 187 . 1 1 24 24 TYR CB C 13 38.0 0.05 . 1 . . . . . . . . 6270 1 188 . 1 1 24 24 TYR HB2 H 1 2.92 0.005 . 2 . . . . . . . . 6270 1 189 . 1 1 24 24 TYR HB3 H 1 2.73 0.005 . 2 . . . . . . . . 6270 1 190 . 1 1 25 25 PRO CD C 13 50.1 0.05 . 1 . . . . . . . . 6270 1 191 . 1 1 25 25 PRO CA C 13 62.9 0.05 . 1 . . . . . . . . 6270 1 192 . 1 1 25 25 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 193 . 1 1 25 25 PRO CB C 13 31.5 0.05 . 1 . . . . . . . . 6270 1 194 . 1 1 25 25 PRO HB2 H 1 2.08 0.005 . 2 . . . . . . . . 6270 1 195 . 1 1 25 25 PRO HB3 H 1 1.68 0.005 . 2 . . . . . . . . 6270 1 196 . 1 1 25 25 PRO CG C 13 26.8 0.05 . 1 . . . . . . . . 6270 1 197 . 1 1 25 25 PRO HG2 H 1 1.80 0.005 . 1 . . . . . . . . 6270 1 198 . 1 1 25 25 PRO HG3 H 1 1.80 0.005 . 1 . . . . . . . . 6270 1 199 . 1 1 25 25 PRO HD2 H 1 3.61 0.005 . 2 . . . . . . . . 6270 1 200 . 1 1 25 25 PRO HD3 H 1 3.31 0.005 . 2 . . . . . . . . 6270 1 201 . 1 1 26 26 ARG N N 15 120.9 0.05 . 1 . . . . . . . . 6270 1 202 . 1 1 26 26 ARG H H 1 8.30 0.005 . 1 . . . . . . . . 6270 1 203 . 1 1 26 26 ARG CA C 13 55.4 0.05 . 1 . . . . . . . . 6270 1 204 . 1 1 26 26 ARG HA H 1 4.18 0.005 . 1 . . . . . . . . 6270 1 205 . 1 1 26 26 ARG CB C 13 30.5 0.05 . 1 . . . . . . . . 6270 1 206 . 1 1 26 26 ARG HB2 H 1 1.65 0.005 . 2 . . . . . . . . 6270 1 207 . 1 1 26 26 ARG HB3 H 1 1.56 0.005 . 2 . . . . . . . . 6270 1 208 . 1 1 26 26 ARG CG C 13 26.6 0.05 . 1 . . . . . . . . 6270 1 209 . 1 1 26 26 ARG HG2 H 1 1.44 0.005 . 1 . . . . . . . . 6270 1 210 . 1 1 26 26 ARG HG3 H 1 1.44 0.005 . 1 . . . . . . . . 6270 1 211 . 1 1 26 26 ARG CD C 13 42.9 0.05 . 1 . . . . . . . . 6270 1 212 . 1 1 26 26 ARG HD2 H 1 2.99 0.005 . 1 . . . . . . . . 6270 1 213 . 1 1 26 26 ARG HD3 H 1 2.99 0.005 . 1 . . . . . . . . 6270 1 214 . 1 1 27 27 GLN N N 15 123.0 0.05 . 1 . . . . . . . . 6270 1 215 . 1 1 27 27 GLN H H 1 8.42 0.005 . 1 . . . . . . . . 6270 1 216 . 1 1 27 27 GLN CA C 13 53.4 0.05 . 1 . . . . . . . . 6270 1 217 . 1 1 27 27 GLN HA H 1 4.44 0.005 . 1 . . . . . . . . 6270 1 218 . 1 1 27 27 GLN CB C 13 28.7 0.05 . 1 . . . . . . . . 6270 1 219 . 1 1 27 27 GLN HB2 H 1 1.98 0.005 . 2 . . . . . . . . 6270 1 220 . 1 1 27 27 GLN HB3 H 1 1.80 0.005 . 2 . . . . . . . . 6270 1 221 . 1 1 27 27 GLN CG C 13 33.3 0.05 . 1 . . . . . . . . 6270 1 222 . 1 1 27 27 GLN HG2 H 1 2.50 0.005 . 2 . . . . . . . . 6270 1 223 . 1 1 27 27 GLN HG3 H 1 2.17 0.005 . 2 . . . . . . . . 6270 1 224 . 1 1 28 28 PRO HA H 1 4.30 0.005 . 1 . . . . . . . . 6270 1 225 . 1 1 28 28 PRO HD2 H 1 3.68 0.005 . 2 . . . . . . . . 6270 1 226 . 1 1 28 28 PRO HD3 H 1 3.55 0.005 . 2 . . . . . . . . 6270 1 227 . 1 1 29 29 GLY N N 15 108.5 0.05 . 1 . . . . . . . . 6270 1 228 . 1 1 29 29 GLY H H 1 8.28 0.005 . 1 . . . . . . . . 6270 1 229 . 1 1 29 29 GLY HA2 H 1 3.77 0.005 . 1 . . . . . . . . 6270 1 230 . 1 1 29 29 GLY HA3 H 1 3.77 0.005 . 1 . . . . . . . . 6270 1 231 . 1 1 30 30 TYR N N 15 120.6 0.05 . 1 . . . . . . . . 6270 1 232 . 1 1 30 30 TYR H H 1 7.91 0.005 . 1 . . . . . . . . 6270 1 233 . 1 1 30 30 TYR HA H 1 4.67 0.005 . 1 . . . . . . . . 6270 1 234 . 1 1 30 30 TYR HB2 H 1 2.94 0.005 . 2 . . . . . . . . 6270 1 235 . 1 1 30 30 TYR HB3 H 1 2.75 0.005 . 2 . . . . . . . . 6270 1 236 . 1 1 30 30 TYR HD1 H 1 7.02 0.005 . 1 . . . . . . . . 6270 1 237 . 1 1 31 31 PRO HA H 1 4.28 0.005 . 1 . . . . . . . . 6270 1 238 . 1 1 32 32 HIS N N 15 118.4 0.05 . 1 . . . . . . . . 6270 1 239 . 1 1 32 32 HIS H H 1 8.44 0.005 . 1 . . . . . . . . 6270 1 240 . 1 1 32 32 HIS HA H 1 4.58 0.005 . 1 . . . . . . . . 6270 1 241 . 1 1 32 32 HIS HB2 H 1 3.04 0.005 . 1 . . . . . . . . 6270 1 242 . 1 1 32 32 HIS HB3 H 1 3.04 0.005 . 1 . . . . . . . . 6270 1 243 . 1 1 32 32 HIS HD1 H 1 7.01 0.005 . 1 . . . . . . . . 6270 1 244 . 1 1 33 33 ASN N N 15 120.9 0.05 . 1 . . . . . . . . 6270 1 245 . 1 1 33 33 ASN H H 1 8.41 0.005 . 1 . . . . . . . . 6270 1 246 . 1 1 33 33 ASN HA H 1 4.83 0.005 . 1 . . . . . . . . 6270 1 247 . 1 1 34 34 PRO HA H 1 4.29 0.005 . 1 . . . . . . . . 6270 1 248 . 1 1 34 34 PRO HD2 H 1 3.60 0.005 . 2 . . . . . . . . 6270 1 249 . 1 1 35 35 GLY N N 15 108.1 0.05 . 1 . . . . . . . . 6270 1 250 . 1 1 35 35 GLY H H 1 8.25 0.005 . 1 . . . . . . . . 6270 1 251 . 1 1 35 35 GLY HA2 H 1 3.74 0.005 . 1 . . . . . . . . 6270 1 252 . 1 1 35 35 GLY HA3 H 1 3.74 0.005 . 1 . . . . . . . . 6270 1 253 . 1 1 36 36 TYR N N 15 120.6 0.05 . 1 . . . . . . . . 6270 1 254 . 1 1 36 36 TYR H H 1 7.80 0.005 . 1 . . . . . . . . 6270 1 255 . 1 1 36 36 TYR HA H 1 4.68 0.005 . 1 . . . . . . . . 6270 1 256 . 1 1 36 36 TYR HB2 H 1 2.94 0.005 . 2 . . . . . . . . 6270 1 257 . 1 1 36 36 TYR HB3 H 1 2.75 0.005 . 2 . . . . . . . . 6270 1 258 . 1 1 36 36 TYR HD1 H 1 6.99 0.005 . 1 . . . . . . . . 6270 1 259 . 1 1 37 37 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 260 . 1 1 38 38 HIS N N 15 118.2 0.05 . 1 . . . . . . . . 6270 1 261 . 1 1 38 38 HIS H H 1 8.36 0.005 . 1 . . . . . . . . 6270 1 262 . 1 1 38 38 HIS HA H 1 4.54 0.005 . 1 . . . . . . . . 6270 1 263 . 1 1 38 38 HIS HB2 H 1 2.99 0.005 . 1 . . . . . . . . 6270 1 264 . 1 1 38 38 HIS HB3 H 1 2.99 0.005 . 1 . . . . . . . . 6270 1 265 . 1 1 39 39 ASN N N 15 120.9 0.05 . 1 . . . . . . . . 6270 1 266 . 1 1 39 39 ASN H H 1 8.39 0.005 . 1 . . . . . . . . 6270 1 267 . 1 1 39 39 ASN HA H 1 4.83 0.005 . 1 . . . . . . . . 6270 1 268 . 1 1 39 39 ASN HB2 H 1 2.67 0.005 . 2 . . . . . . . . 6270 1 269 . 1 1 39 39 ASN HB3 H 1 2.54 0.005 . 2 . . . . . . . . 6270 1 270 . 1 1 40 40 PRO HA H 1 4.30 0.005 . 1 . . . . . . . . 6270 1 271 . 1 1 40 40 PRO HD2 H 1 3.59 0.005 . 2 . . . . . . . . 6270 1 272 . 1 1 41 41 GLY N N 15 108.1 0.05 . 1 . . . . . . . . 6270 1 273 . 1 1 41 41 GLY H H 1 8.26 0.005 . 1 . . . . . . . . 6270 1 274 . 1 1 41 41 GLY HA2 H 1 3.75 0.005 . 1 . . . . . . . . 6270 1 275 . 1 1 41 41 GLY HA3 H 1 3.75 0.005 . 1 . . . . . . . . 6270 1 276 . 1 1 42 42 TYR N N 15 120.6 0.05 . 1 . . . . . . . . 6270 1 277 . 1 1 42 42 TYR H H 1 7.78 0.005 . 1 . . . . . . . . 6270 1 278 . 1 1 42 42 TYR HA H 1 4.68 0.005 . 1 . . . . . . . . 6270 1 279 . 1 1 42 42 TYR HB2 H 1 2.94 0.005 . 2 . . . . . . . . 6270 1 280 . 1 1 42 42 TYR HB3 H 1 2.75 0.005 . 2 . . . . . . . . 6270 1 281 . 1 1 42 42 TYR HD1 H 1 6.99 0.005 . 1 . . . . . . . . 6270 1 282 . 1 1 43 43 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 283 . 1 1 44 44 HIS N N 15 118.2 0.05 . 1 . . . . . . . . 6270 1 284 . 1 1 44 44 HIS H H 1 8.40 0.005 . 1 . . . . . . . . 6270 1 285 . 1 1 44 44 HIS HA H 1 4.54 0.005 . 1 . . . . . . . . 6270 1 286 . 1 1 44 44 HIS HB2 H 1 3.04 0.005 . 1 . . . . . . . . 6270 1 287 . 1 1 44 44 HIS HB3 H 1 3.04 0.005 . 1 . . . . . . . . 6270 1 288 . 1 1 44 44 HIS HD1 H 1 7.02 0.005 . 1 . . . . . . . . 6270 1 289 . 1 1 45 45 ASN N N 15 120.9 0.05 . 1 . . . . . . . . 6270 1 290 . 1 1 45 45 ASN H H 1 8.42 0.005 . 1 . . . . . . . . 6270 1 291 . 1 1 45 45 ASN HA H 1 4.68 0.005 . 1 . . . . . . . . 6270 1 292 . 1 1 45 45 ASN HB2 H 1 2.68 0.005 . 2 . . . . . . . . 6270 1 293 . 1 1 45 45 ASN HB3 H 1 2.54 0.005 . 2 . . . . . . . . 6270 1 294 . 1 1 50 50 HIS N N 15 118.2 0.05 . 1 . . . . . . . . 6270 1 295 . 1 1 50 50 HIS H H 1 8.41 0.005 . 1 . . . . . . . . 6270 1 296 . 1 1 50 50 HIS HA H 1 4.58 0.005 . 1 . . . . . . . . 6270 1 297 . 1 1 50 50 HIS HB2 H 1 3.08 0.005 . 1 . . . . . . . . 6270 1 298 . 1 1 50 50 HIS HB3 H 1 3.08 0.005 . 1 . . . . . . . . 6270 1 299 . 1 1 50 50 HIS HD1 H 1 7.02 0.005 . 1 . . . . . . . . 6270 1 300 . 1 1 51 51 ASN N N 15 120.9 0.05 . 1 . . . . . . . . 6270 1 301 . 1 1 51 51 ASN H H 1 8.43 0.005 . 1 . . . . . . . . 6270 1 302 . 1 1 51 51 ASN HA H 1 4.82 0.005 . 1 . . . . . . . . 6270 1 303 . 1 1 51 51 ASN HB2 H 1 2.71 0.005 . 2 . . . . . . . . 6270 1 304 . 1 1 51 51 ASN HB3 H 1 2.53 0.005 . 2 . . . . . . . . 6270 1 305 . 1 1 52 52 PRO HA H 1 4.32 0.005 . 1 . . . . . . . . 6270 1 306 . 1 1 53 53 GLY N N 15 108.8 0.05 . 1 . . . . . . . . 6270 1 307 . 1 1 53 53 GLY H H 1 8.40 0.005 . 1 . . . . . . . . 6270 1 308 . 1 1 53 53 GLY HA2 H 1 3.78 0.005 . 1 . . . . . . . . 6270 1 309 . 1 1 53 53 GLY HA3 H 1 3.78 0.005 . 1 . . . . . . . . 6270 1 310 . 1 1 54 54 TYR N N 15 120.9 0.05 . 1 . . . . . . . . 6270 1 311 . 1 1 54 54 TYR H H 1 7.79 0.005 . 1 . . . . . . . . 6270 1 312 . 1 1 54 54 TYR HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 313 . 1 1 54 54 TYR HB2 H 1 2.89 0.005 . 2 . . . . . . . . 6270 1 314 . 1 1 54 54 TYR HB3 H 1 2.75 0.005 . 2 . . . . . . . . 6270 1 315 . 1 1 54 54 TYR HD1 H 1 6.92 0.005 . 1 . . . . . . . . 6270 1 316 . 1 1 55 55 PRO CD C 13 50.3 0.05 . 1 . . . . . . . . 6270 1 317 . 1 1 55 55 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 318 . 1 1 55 55 PRO HD2 H 1 3.66 0.005 . 2 . . . . . . . . 6270 1 319 . 1 1 56 56 GLN N N 15 120.0 0.05 . 1 . . . . . . . . 6270 1 320 . 1 1 56 56 GLN H H 1 8.32 0.005 . 1 . . . . . . . . 6270 1 321 . 1 1 56 56 GLN CA C 13 55.5 0.05 . 1 . . . . . . . . 6270 1 322 . 1 1 56 56 GLN HA H 1 4.21 0.005 . 1 . . . . . . . . 6270 1 323 . 1 1 56 56 GLN CB C 13 29.4 0.05 . 1 . . . . . . . . 6270 1 324 . 1 1 56 56 GLN HB2 H 1 1.99 0.005 . 2 . . . . . . . . 6270 1 325 . 1 1 56 56 GLN HB3 H 1 1.86 0.005 . 2 . . . . . . . . 6270 1 326 . 1 1 56 56 GLN CG C 13 33.3 0.05 . 1 . . . . . . . . 6270 1 327 . 1 1 56 56 GLN HG2 H 1 2.24 0.005 . 1 . . . . . . . . 6270 1 328 . 1 1 56 56 GLN HG3 H 1 2.24 0.005 . 1 . . . . . . . . 6270 1 329 . 1 1 57 57 ASN N N 15 120.2 0.05 . 1 . . . . . . . . 6270 1 330 . 1 1 57 57 ASN H H 1 8.35 0.005 . 1 . . . . . . . . 6270 1 331 . 1 1 57 57 ASN CA C 13 51.0 0.05 . 1 . . . . . . . . 6270 1 332 . 1 1 57 57 ASN HA H 1 4.81 0.005 . 1 . . . . . . . . 6270 1 333 . 1 1 57 57 ASN CB C 13 38.5 0.05 . 1 . . . . . . . . 6270 1 334 . 1 1 57 57 ASN HB2 H 1 2.68 0.005 . 2 . . . . . . . . 6270 1 335 . 1 1 57 57 ASN HB3 H 1 2.54 0.005 . 2 . . . . . . . . 6270 1 336 . 1 1 58 58 PRO HA H 1 4.29 0.005 . 1 . . . . . . . . 6270 1 337 . 1 1 58 58 PRO HD2 H 1 3.61 0.005 . 2 . . . . . . . . 6270 1 338 . 1 1 59 59 GLY N N 15 107.9 0.05 . 1 . . . . . . . . 6270 1 339 . 1 1 59 59 GLY H H 1 8.23 0.005 . 1 . . . . . . . . 6270 1 340 . 1 1 59 59 GLY HA2 H 1 3.74 0.005 . 1 . . . . . . . . 6270 1 341 . 1 1 59 59 GLY HA3 H 1 3.74 0.005 . 1 . . . . . . . . 6270 1 342 . 1 1 60 60 TYR N N 15 120.8 0.05 . 1 . . . . . . . . 6270 1 343 . 1 1 60 60 TYR H H 1 7.84 0.005 . 1 . . . . . . . . 6270 1 344 . 1 1 60 60 TYR HA H 1 4.67 0.005 . 1 . . . . . . . . 6270 1 345 . 1 1 60 60 TYR HB2 H 1 2.94 0.005 . 2 . . . . . . . . 6270 1 346 . 1 1 60 60 TYR HB3 H 1 2.74 0.005 . 2 . . . . . . . . 6270 1 347 . 1 1 60 60 TYR HD1 H 1 7.01 0.005 . 1 . . . . . . . . 6270 1 348 . 1 1 61 61 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 349 . 1 1 61 61 PRO HD2 H 1 3.60 0.005 . 2 . . . . . . . . 6270 1 350 . 1 1 62 62 HIS N N 15 118.2 0.05 . 1 . . . . . . . . 6270 1 351 . 1 1 62 62 HIS H H 1 8.41 0.005 . 1 . . . . . . . . 6270 1 352 . 1 1 62 62 HIS HA H 1 4.51 0.005 . 1 . . . . . . . . 6270 1 353 . 1 1 62 62 HIS HB2 H 1 3.07 0.005 . 1 . . . . . . . . 6270 1 354 . 1 1 62 62 HIS HB3 H 1 3.07 0.005 . 1 . . . . . . . . 6270 1 355 . 1 1 62 62 HIS HD1 H 1 7.01 0.005 . 1 . . . . . . . . 6270 1 356 . 1 1 63 63 ASN N N 15 120.9 0.05 . 1 . . . . . . . . 6270 1 357 . 1 1 63 63 ASN H H 1 8.41 0.005 . 1 . . . . . . . . 6270 1 358 . 1 1 63 63 ASN HA H 1 4.83 0.005 . 1 . . . . . . . . 6270 1 359 . 1 1 63 63 ASN HB2 H 1 2.73 0.005 . 2 . . . . . . . . 6270 1 360 . 1 1 63 63 ASN HB3 H 1 2.55 0.005 . 2 . . . . . . . . 6270 1 361 . 1 1 64 64 PRO HA H 1 3.91 0.005 . 1 . . . . . . . . 6270 1 362 . 1 1 65 65 GLY N N 15 108.3 0.05 . 1 . . . . . . . . 6270 1 363 . 1 1 65 65 GLY H H 1 8.19 0.005 . 1 . . . . . . . . 6270 1 364 . 1 1 65 65 GLY HA2 H 1 3.71 0.005 . 2 . . . . . . . . 6270 1 365 . 1 1 65 65 GLY HA3 H 1 3.69 0.005 . 2 . . . . . . . . 6270 1 366 . 1 1 66 66 TYR N N 15 120.8 0.05 . 1 . . . . . . . . 6270 1 367 . 1 1 66 66 TYR H H 1 7.69 0.005 . 1 . . . . . . . . 6270 1 368 . 1 1 66 66 TYR HA H 1 4.67 0.005 . 1 . . . . . . . . 6270 1 369 . 1 1 66 66 TYR HB2 H 1 2.86 0.005 . 2 . . . . . . . . 6270 1 370 . 1 1 66 66 TYR HB3 H 1 2.75 0.005 . 2 . . . . . . . . 6270 1 371 . 1 1 66 66 TYR HD1 H 1 6.92 0.005 . 1 . . . . . . . . 6270 1 372 . 1 1 67 67 PRO CD C 13 50.1 0.05 . 1 . . . . . . . . 6270 1 373 . 1 1 67 67 PRO CA C 13 63.1 0.05 . 1 . . . . . . . . 6270 1 374 . 1 1 67 67 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 6270 1 375 . 1 1 67 67 PRO CB C 13 31.7 0.05 . 1 . . . . . . . . 6270 1 376 . 1 1 67 67 PRO HB2 H 1 2.10 0.005 . 2 . . . . . . . . 6270 1 377 . 1 1 67 67 PRO HB3 H 1 1.77 0.005 . 2 . . . . . . . . 6270 1 378 . 1 1 67 67 PRO CG C 13 26.8 0.05 . 1 . . . . . . . . 6270 1 379 . 1 1 67 67 PRO HG2 H 1 1.77 0.005 . 1 . . . . . . . . 6270 1 380 . 1 1 67 67 PRO HG3 H 1 1.77 0.005 . 1 . . . . . . . . 6270 1 381 . 1 1 67 67 PRO HD2 H 1 3.62 0.005 . 2 . . . . . . . . 6270 1 382 . 1 1 67 67 PRO HD3 H 1 3.58 0.005 . 2 . . . . . . . . 6270 1 383 . 1 1 68 68 GLY N N 15 108.3 0.05 . 1 . . . . . . . . 6270 1 384 . 1 1 68 68 GLY H H 1 7.86 0.005 . 1 . . . . . . . . 6270 1 385 . 1 1 68 68 GLY CA C 13 44.7 0.05 . 1 . . . . . . . . 6270 1 386 . 1 1 68 68 GLY HA2 H 1 3.78 0.005 . 2 . . . . . . . . 6270 1 387 . 1 1 68 68 GLY HA3 H 1 3.69 0.005 . 2 . . . . . . . . 6270 1 388 . 1 1 69 69 TRP N N 15 120.4 0.05 . 1 . . . . . . . . 6270 1 389 . 1 1 69 69 TRP H H 1 7.81 0.005 . 1 . . . . . . . . 6270 1 390 . 1 1 69 69 TRP CA C 13 58.3 0.05 . 1 . . . . . . . . 6270 1 391 . 1 1 69 69 TRP HA H 1 4.47 0.005 . 1 . . . . . . . . 6270 1 392 . 1 1 69 69 TRP CB C 13 29.4 0.05 . 1 . . . . . . . . 6270 1 393 . 1 1 69 69 TRP HB2 H 1 3.13 0.005 . 2 . . . . . . . . 6270 1 394 . 1 1 69 69 TRP HB3 H 1 3.07 0.005 . 2 . . . . . . . . 6270 1 395 . 1 1 70 70 GLY N N 15 110.5 0.05 . 1 . . . . . . . . 6270 1 396 . 1 1 70 70 GLY H H 1 8.18 0.005 . 1 . . . . . . . . 6270 1 397 . 1 1 70 70 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 398 . 1 1 70 70 GLY HA2 H 1 3.63 0.005 . 2 . . . . . . . . 6270 1 399 . 1 1 70 70 GLY HA3 H 1 3.72 0.005 . 2 . . . . . . . . 6270 1 400 . 1 1 71 71 GLN N N 15 119.3 0.05 . 1 . . . . . . . . 6270 1 401 . 1 1 71 71 GLN H H 1 8.14 0.005 . 1 . . . . . . . . 6270 1 402 . 1 1 71 71 GLN CA C 13 55.2 0.05 . 1 . . . . . . . . 6270 1 403 . 1 1 71 71 GLN HA H 1 4.17 0.005 . 1 . . . . . . . . 6270 1 404 . 1 1 71 71 GLN CB C 13 28.9 0.05 . 1 . . . . . . . . 6270 1 405 . 1 1 71 71 GLN HB2 H 1 1.98 0.005 . 2 . . . . . . . . 6270 1 406 . 1 1 71 71 GLN HB3 H 1 1.82 0.005 . 2 . . . . . . . . 6270 1 407 . 1 1 71 71 GLN CG C 13 35.2 0.05 . 1 . . . . . . . . 6270 1 408 . 1 1 71 71 GLN HG2 H 1 2.23 0.005 . 1 . . . . . . . . 6270 1 409 . 1 1 71 71 GLN HG3 H 1 2.23 0.005 . 1 . . . . . . . . 6270 1 410 . 1 1 72 72 GLY N N 15 109.4 0.05 . 1 . . . . . . . . 6270 1 411 . 1 1 72 72 GLY H H 1 8.19 0.005 . 1 . . . . . . . . 6270 1 412 . 1 1 72 72 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 413 . 1 1 72 72 GLY HA2 H 1 3.80 0.005 . 2 . . . . . . . . 6270 1 414 . 1 1 72 72 GLY HA3 H 1 3.72 0.005 . 2 . . . . . . . . 6270 1 415 . 1 1 73 73 TYR N N 15 119.8 0.05 . 1 . . . . . . . . 6270 1 416 . 1 1 73 73 TYR H H 1 7.87 0.005 . 1 . . . . . . . . 6270 1 417 . 1 1 73 73 TYR CA C 13 57.3 0.05 . 1 . . . . . . . . 6270 1 418 . 1 1 73 73 TYR HA H 1 4.35 0.005 . 1 . . . . . . . . 6270 1 419 . 1 1 73 73 TYR CB C 13 38.5 0.05 . 1 . . . . . . . . 6270 1 420 . 1 1 73 73 TYR HB2 H 1 2.77 0.005 . 2 . . . . . . . . 6270 1 421 . 1 1 73 73 TYR HB3 H 1 2.76 0.005 . 2 . . . . . . . . 6270 1 422 . 1 1 73 73 TYR HD1 H 1 6.89 0.005 . 1 . . . . . . . . 6270 1 423 . 1 1 73 73 TYR HD2 H 1 6.89 0.005 . 1 . . . . . . . . 6270 1 424 . 1 1 74 74 ASN N N 15 122.8 0.05 . 1 . . . . . . . . 6270 1 425 . 1 1 74 74 ASN H H 1 8.18 0.005 . 1 . . . . . . . . 6270 1 426 . 1 1 74 74 ASN CA C 13 50.8 0.05 . 1 . . . . . . . . 6270 1 427 . 1 1 74 74 ASN HA H 1 4.82 0.005 . 1 . . . . . . . . 6270 1 428 . 1 1 74 74 ASN CB C 13 38.7 0.05 . 1 . . . . . . . . 6270 1 429 . 1 1 74 74 ASN HB2 H 1 2.67 0.005 . 2 . . . . . . . . 6270 1 430 . 1 1 74 74 ASN HB3 H 1 2.52 0.005 . 2 . . . . . . . . 6270 1 431 . 1 1 75 75 PRO CD C 13 50.1 0.05 . 1 . . . . . . . . 6270 1 432 . 1 1 75 75 PRO CA C 13 63.1 0.05 . 1 . . . . . . . . 6270 1 433 . 1 1 75 75 PRO HA H 1 4.17 0.005 . 1 . . . . . . . . 6270 1 434 . 1 1 75 75 PRO CB C 13 31.7 0.05 . 1 . . . . . . . . 6270 1 435 . 1 1 75 75 PRO HB2 H 1 2.08 0.005 . 2 . . . . . . . . 6270 1 436 . 1 1 75 75 PRO HB3 H 1 1.83 0.005 . 2 . . . . . . . . 6270 1 437 . 1 1 75 75 PRO CG C 13 26.8 0.05 . 1 . . . . . . . . 6270 1 438 . 1 1 75 75 PRO HG2 H 1 1.80 0.005 . 1 . . . . . . . . 6270 1 439 . 1 1 75 75 PRO HG3 H 1 1.80 0.005 . 1 . . . . . . . . 6270 1 440 . 1 1 75 75 PRO HD2 H 1 3.60 0.005 . 2 . . . . . . . . 6270 1 441 . 1 1 75 75 PRO HD3 H 1 3.51 0.005 . 2 . . . . . . . . 6270 1 442 . 1 1 76 76 SER N N 15 114.9 0.05 . 1 . . . . . . . . 6270 1 443 . 1 1 76 76 SER H H 1 8.14 0.005 . 1 . . . . . . . . 6270 1 444 . 1 1 76 76 SER CA C 13 58.2 0.05 . 1 . . . . . . . . 6270 1 445 . 1 1 76 76 SER HA H 1 4.31 0.005 . 1 . . . . . . . . 6270 1 446 . 1 1 76 76 SER HB2 H 1 3.75 0.005 . 1 . . . . . . . . 6270 1 447 . 1 1 76 76 SER HB3 H 1 3.75 0.005 . 1 . . . . . . . . 6270 1 448 . 1 1 77 77 SER N N 15 116.9 0.05 . 1 . . . . . . . . 6270 1 449 . 1 1 77 77 SER H H 1 8.04 0.005 . 1 . . . . . . . . 6270 1 450 . 1 1 77 77 SER CA C 13 58.2 0.05 . 1 . . . . . . . . 6270 1 451 . 1 1 77 77 SER HA H 1 4.33 0.005 . 1 . . . . . . . . 6270 1 452 . 1 1 77 77 SER CB C 13 63.4 0.05 . 1 . . . . . . . . 6270 1 453 . 1 1 77 77 SER HB2 H 1 3.74 0.005 . 1 . . . . . . . . 6270 1 454 . 1 1 77 77 SER HB3 H 1 3.74 0.005 . 1 . . . . . . . . 6270 1 455 . 1 1 78 78 GLY N N 15 110.3 0.05 . 1 . . . . . . . . 6270 1 456 . 1 1 78 78 GLY H H 1 8.27 0.005 . 1 . . . . . . . . 6270 1 457 . 1 1 78 78 GLY CA C 13 45.2 0.05 . 1 . . . . . . . . 6270 1 458 . 1 1 78 78 GLY HA2 H 1 3.88 0.005 . 1 . . . . . . . . 6270 1 459 . 1 1 78 78 GLY HA3 H 1 3.88 0.005 . 1 . . . . . . . . 6270 1 460 . 1 1 79 79 GLY N N 15 108.3 0.05 . 1 . . . . . . . . 6270 1 461 . 1 1 79 79 GLY H H 1 8.12 0.005 . 1 . . . . . . . . 6270 1 462 . 1 1 79 79 GLY CA C 13 45.2 0.05 . 1 . . . . . . . . 6270 1 463 . 1 1 79 79 GLY HA2 H 1 3.85 0.005 . 1 . . . . . . . . 6270 1 464 . 1 1 79 79 GLY HA3 H 1 3.85 0.005 . 1 . . . . . . . . 6270 1 465 . 1 1 80 80 SER N N 15 115.1 0.05 . 1 . . . . . . . . 6270 1 466 . 1 1 80 80 SER H H 1 8.10 0.005 . 1 . . . . . . . . 6270 1 467 . 1 1 80 80 SER CA C 13 58.0 0.05 . 1 . . . . . . . . 6270 1 468 . 1 1 80 80 SER HA H 1 4.30 0.005 . 1 . . . . . . . . 6270 1 469 . 1 1 80 80 SER HB2 H 1 3.66 0.005 . 1 . . . . . . . . 6270 1 470 . 1 1 80 80 SER HB3 H 1 3.66 0.005 . 1 . . . . . . . . 6270 1 471 . 1 1 81 81 TYR N N 15 121.7 0.05 . 1 . . . . . . . . 6270 1 472 . 1 1 81 81 TYR H H 1 8.12 0.005 . 1 . . . . . . . . 6270 1 473 . 1 1 81 81 TYR CA C 13 55.4 0.05 . 1 . . . . . . . . 6270 1 474 . 1 1 81 81 TYR HA H 1 4.36 0.005 . 1 . . . . . . . . 6270 1 475 . 1 1 81 81 TYR CB C 13 38.5 0.05 . 1 . . . . . . . . 6270 1 476 . 1 1 81 81 TYR HB2 H 1 2.79 0.005 . 2 . . . . . . . . 6270 1 477 . 1 1 81 81 TYR HB3 H 1 2.76 0.005 . 2 . . . . . . . . 6270 1 478 . 1 1 81 81 TYR HD1 H 1 6.96 0.005 . 1 . . . . . . . . 6270 1 479 . 1 1 81 81 TYR HD2 H 1 6.96 0.005 . 1 . . . . . . . . 6270 1 480 . 1 1 82 82 HIS N N 15 119.8 0.05 . 1 . . . . . . . . 6270 1 481 . 1 1 82 82 HIS H H 1 8.27 0.005 . 1 . . . . . . . . 6270 1 482 . 1 1 82 82 HIS CA C 13 54.8 0.05 . 1 . . . . . . . . 6270 1 483 . 1 1 82 82 HIS HA H 1 4.48 0.005 . 1 . . . . . . . . 6270 1 484 . 1 1 82 82 HIS CB C 13 28.4 0.05 . 1 . . . . . . . . 6270 1 485 . 1 1 82 82 HIS HB2 H 1 3.09 0.005 . 2 . . . . . . . . 6270 1 486 . 1 1 82 82 HIS HB3 H 1 2.94 0.005 . 2 . . . . . . . . 6270 1 487 . 1 1 82 82 HIS HD1 H 1 7.21 0.005 . 1 . . . . . . . . 6270 1 488 . 1 1 83 83 ASN N N 15 119.1 0.05 . 1 . . . . . . . . 6270 1 489 . 1 1 83 83 ASN H H 1 8.26 0.005 . 1 . . . . . . . . 6270 1 490 . 1 1 83 83 ASN CA C 13 52.9 0.05 . 1 . . . . . . . . 6270 1 491 . 1 1 83 83 ASN HA H 1 4.49 0.005 . 1 . . . . . . . . 6270 1 492 . 1 1 83 83 ASN CB C 13 38.5 0.05 . 1 . . . . . . . . 6270 1 493 . 1 1 83 83 ASN HB2 H 1 2.71 0.005 . 2 . . . . . . . . 6270 1 494 . 1 1 83 83 ASN HB3 H 1 2.62 0.005 . 2 . . . . . . . . 6270 1 495 . 1 1 84 84 GLN N N 15 120.8 0.05 . 1 . . . . . . . . 6270 1 496 . 1 1 84 84 GLN H H 1 8.33 0.005 . 1 . . . . . . . . 6270 1 497 . 1 1 84 84 GLN CA C 13 57.0 0.05 . 1 . . . . . . . . 6270 1 498 . 1 1 84 84 GLN HA H 1 4.21 0.005 . 1 . . . . . . . . 6270 1 499 . 1 1 84 84 GLN CB C 13 28.7 0.05 . 1 . . . . . . . . 6270 1 500 . 1 1 84 84 GLN HB2 H 1 1.99 0.005 . 2 . . . . . . . . 6270 1 501 . 1 1 84 84 GLN HB3 H 1 1.85 0.005 . 2 . . . . . . . . 6270 1 502 . 1 1 84 84 GLN CG C 13 33.3 0.05 . 1 . . . . . . . . 6270 1 503 . 1 1 84 84 GLN HG2 H 1 2.23 0.005 . 1 . . . . . . . . 6270 1 504 . 1 1 84 84 GLN HG3 H 1 2.23 0.005 . 1 . . . . . . . . 6270 1 505 . 1 1 85 85 LYS N N 15 123.5 0.05 . 1 . . . . . . . . 6270 1 506 . 1 1 85 85 LYS H H 1 8.15 0.005 . 1 . . . . . . . . 6270 1 507 . 1 1 85 85 LYS CA C 13 53.8 0.05 . 1 . . . . . . . . 6270 1 508 . 1 1 85 85 LYS HA H 1 4.45 0.005 . 1 . . . . . . . . 6270 1 509 . 1 1 85 85 LYS CB C 13 32.2 0.05 . 1 . . . . . . . . 6270 1 510 . 1 1 85 85 LYS HB2 H 1 1.67 0.005 . 2 . . . . . . . . 6270 1 511 . 1 1 85 85 LYS HB3 H 1 1.59 0.005 . 2 . . . . . . . . 6270 1 512 . 1 1 85 85 LYS CG C 13 24.7 0.05 . 1 . . . . . . . . 6270 1 513 . 1 1 85 85 LYS HG2 H 1 1.37 0.005 . 1 . . . . . . . . 6270 1 514 . 1 1 85 85 LYS HG3 H 1 1.37 0.005 . 1 . . . . . . . . 6270 1 515 . 1 1 85 85 LYS CD C 13 28.7 0.05 . 1 . . . . . . . . 6270 1 516 . 1 1 85 85 LYS HD2 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 517 . 1 1 85 85 LYS HD3 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 518 . 1 1 85 85 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 6270 1 519 . 1 1 85 85 LYS HE2 H 1 2.90 0.005 . 1 . . . . . . . . 6270 1 520 . 1 1 85 85 LYS HE3 H 1 2.90 0.005 . 1 . . . . . . . . 6270 1 521 . 1 1 86 86 PRO CA C 13 62.9 0.05 . 1 . . . . . . . . 6270 1 522 . 1 1 86 86 PRO HA H 1 4.27 0.005 . 1 . . . . . . . . 6270 1 523 . 1 1 86 86 PRO CB C 13 31.7 0.05 . 1 . . . . . . . . 6270 1 524 . 1 1 86 86 PRO HB2 H 1 2.08 0.005 . 2 . . . . . . . . 6270 1 525 . 1 1 86 86 PRO HB3 H 1 1.77 0.005 . 2 . . . . . . . . 6270 1 526 . 1 1 86 86 PRO CG C 13 26.8 0.05 . 1 . . . . . . . . 6270 1 527 . 1 1 86 86 PRO HG2 H 1 1.86 0.005 . 1 . . . . . . . . 6270 1 528 . 1 1 86 86 PRO HG3 H 1 1.86 0.005 . 1 . . . . . . . . 6270 1 529 . 1 1 86 86 PRO HD2 H 1 3.63 0.005 . 2 . . . . . . . . 6270 1 530 . 1 1 86 86 PRO HD3 H 1 3.48 0.005 . 2 . . . . . . . . 6270 1 531 . 1 1 87 87 TRP N N 15 122.6 0.05 . 1 . . . . . . . . 6270 1 532 . 1 1 87 87 TRP H H 1 8.27 0.005 . 1 . . . . . . . . 6270 1 533 . 1 1 87 87 TRP CA C 13 57.5 0.05 . 1 . . . . . . . . 6270 1 534 . 1 1 87 87 TRP HA H 1 4.43 0.005 . 1 . . . . . . . . 6270 1 535 . 1 1 87 87 TRP CB C 13 29.4 0.05 . 1 . . . . . . . . 6270 1 536 . 1 1 87 87 TRP HB2 H 1 3.11 0.005 . 2 . . . . . . . . 6270 1 537 . 1 1 87 87 TRP HB3 H 1 3.05 0.005 . 2 . . . . . . . . 6270 1 538 . 1 1 88 88 LYS N N 15 125.5 0.05 . 1 . . . . . . . . 6270 1 539 . 1 1 88 88 LYS H H 1 7.53 0.005 . 1 . . . . . . . . 6270 1 540 . 1 1 88 88 LYS CA C 13 52.7 0.05 . 1 . . . . . . . . 6270 1 541 . 1 1 88 88 LYS HA H 1 4.28 0.005 . 1 . . . . . . . . 6270 1 542 . 1 1 88 88 LYS CB C 13 33.1 0.05 . 1 . . . . . . . . 6270 1 543 . 1 1 88 88 LYS HB2 H 1 1.47 0.005 . 2 . . . . . . . . 6270 1 544 . 1 1 88 88 LYS HB3 H 1 1.32 0.005 . 2 . . . . . . . . 6270 1 545 . 1 1 88 88 LYS CG C 13 23.8 0.05 . 1 . . . . . . . . 6270 1 546 . 1 1 88 88 LYS HG2 H 1 1.12 0.005 . 1 . . . . . . . . 6270 1 547 . 1 1 88 88 LYS HG3 H 1 1.12 0.005 . 1 . . . . . . . . 6270 1 548 . 1 1 88 88 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 6270 1 549 . 1 1 88 88 LYS HD2 H 1 1.47 0.005 . 1 . . . . . . . . 6270 1 550 . 1 1 88 88 LYS HD3 H 1 1.47 0.005 . 1 . . . . . . . . 6270 1 551 . 1 1 88 88 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 6270 1 552 . 1 1 88 88 LYS HE2 H 1 2.79 0.005 . 1 . . . . . . . . 6270 1 553 . 1 1 88 88 LYS HE3 H 1 2.79 0.005 . 1 . . . . . . . . 6270 1 554 . 1 1 89 89 PRO CD C 13 50.1 0.05 . 1 . . . . . . . . 6270 1 555 . 1 1 89 89 PRO CA C 13 60.6 0.05 . 1 . . . . . . . . 6270 1 556 . 1 1 89 89 PRO HA H 1 4.05 0.005 . 1 . . . . . . . . 6270 1 557 . 1 1 89 89 PRO CB C 13 30.3 0.05 . 1 . . . . . . . . 6270 1 558 . 1 1 89 89 PRO HB2 H 1 2.13 0.005 . 2 . . . . . . . . 6270 1 559 . 1 1 89 89 PRO HB3 H 1 1.69 0.005 . 2 . . . . . . . . 6270 1 560 . 1 1 89 89 PRO CG C 13 26.8 0.05 . 1 . . . . . . . . 6270 1 561 . 1 1 89 89 PRO HG2 H 1 1.79 0.005 . 1 . . . . . . . . 6270 1 562 . 1 1 89 89 PRO HG3 H 1 1.79 0.005 . 1 . . . . . . . . 6270 1 563 . 1 1 89 89 PRO HD2 H 1 3.57 0.005 . 2 . . . . . . . . 6270 1 564 . 1 1 89 89 PRO HD3 H 1 3.31 0.005 . 2 . . . . . . . . 6270 1 565 . 1 1 90 90 PRO CD C 13 50.1 0.05 . 1 . . . . . . . . 6270 1 566 . 1 1 90 90 PRO CA C 13 62.2 0.05 . 1 . . . . . . . . 6270 1 567 . 1 1 90 90 PRO HA H 1 4.26 0.005 . 1 . . . . . . . . 6270 1 568 . 1 1 90 90 PRO CB C 13 31.7 0.05 . 1 . . . . . . . . 6270 1 569 . 1 1 90 90 PRO HB2 H 1 2.11 0.005 . 2 . . . . . . . . 6270 1 570 . 1 1 90 90 PRO HB3 H 1 1.83 0.005 . 2 . . . . . . . . 6270 1 571 . 1 1 90 90 PRO CG C 13 27.0 0.05 . 1 . . . . . . . . 6270 1 572 . 1 1 90 90 PRO HG2 H 1 1.91 0.005 . 1 . . . . . . . . 6270 1 573 . 1 1 90 90 PRO HG3 H 1 1.91 0.005 . 1 . . . . . . . . 6270 1 574 . 1 1 90 90 PRO HD2 H 1 3.61 0.005 . 2 . . . . . . . . 6270 1 575 . 1 1 90 90 PRO HD3 H 1 3.55 0.005 . 2 . . . . . . . . 6270 1 576 . 1 1 91 91 LYS N N 15 121.1 0.05 . 1 . . . . . . . . 6270 1 577 . 1 1 91 91 LYS H H 1 8.32 0.005 . 1 . . . . . . . . 6270 1 578 . 1 1 91 91 LYS CA C 13 55.9 0.05 . 1 . . . . . . . . 6270 1 579 . 1 1 91 91 LYS HA H 1 4.21 0.005 . 1 . . . . . . . . 6270 1 580 . 1 1 91 91 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 6270 1 581 . 1 1 91 91 LYS HB2 H 1 1.70 0.005 . 2 . . . . . . . . 6270 1 582 . 1 1 91 91 LYS HB3 H 1 1.64 0.005 . 2 . . . . . . . . 6270 1 583 . 1 1 91 91 LYS CG C 13 24.3 0.05 . 1 . . . . . . . . 6270 1 584 . 1 1 91 91 LYS HG2 H 1 1.29 0.005 . 1 . . . . . . . . 6270 1 585 . 1 1 91 91 LYS HG3 H 1 1.29 0.005 . 1 . . . . . . . . 6270 1 586 . 1 1 91 91 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 6270 1 587 . 1 1 91 91 LYS HD2 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 588 . 1 1 91 91 LYS HD3 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 589 . 1 1 91 91 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 6270 1 590 . 1 1 91 91 LYS HE2 H 1 2.88 0.005 . 1 . . . . . . . . 6270 1 591 . 1 1 91 91 LYS HE3 H 1 2.88 0.005 . 1 . . . . . . . . 6270 1 592 . 1 1 92 92 THR N N 15 115.1 0.05 . 1 . . . . . . . . 6270 1 593 . 1 1 92 92 THR H H 1 8.04 0.005 . 1 . . . . . . . . 6270 1 594 . 1 1 92 92 THR CA C 13 61.0 0.05 . 1 . . . . . . . . 6270 1 595 . 1 1 92 92 THR HA H 1 4.17 0.005 . 1 . . . . . . . . 6270 1 596 . 1 1 92 92 THR CB C 13 69.4 0.05 . 1 . . . . . . . . 6270 1 597 . 1 1 92 92 THR HB H 1 3.93 0.005 . 1 . . . . . . . . 6270 1 598 . 1 1 92 92 THR HG21 H 1 0.97 0.005 . 1 . . . . . . . . 6270 1 599 . 1 1 92 92 THR HG22 H 1 0.97 0.005 . 1 . . . . . . . . 6270 1 600 . 1 1 92 92 THR HG23 H 1 0.97 0.005 . 1 . . . . . . . . 6270 1 601 . 1 1 92 92 THR CG2 C 13 21.2 0.05 . 1 . . . . . . . . 6270 1 602 . 1 1 93 93 ASN N N 15 120.9 0.05 . 1 . . . . . . . . 6270 1 603 . 1 1 93 93 ASN H H 1 8.33 0.005 . 1 . . . . . . . . 6270 1 604 . 1 1 93 93 ASN CA C 13 52.4 0.05 . 1 . . . . . . . . 6270 1 605 . 1 1 93 93 ASN HA H 1 4.60 0.005 . 1 . . . . . . . . 6270 1 606 . 1 1 93 93 ASN CB C 13 38.5 0.05 . 1 . . . . . . . . 6270 1 607 . 1 1 93 93 ASN HB2 H 1 2.65 0.005 . 2 . . . . . . . . 6270 1 608 . 1 1 93 93 ASN HB3 H 1 2.57 0.005 . 2 . . . . . . . . 6270 1 609 . 1 1 94 94 PHE N N 15 120.8 0.05 . 1 . . . . . . . . 6270 1 610 . 1 1 94 94 PHE H H 1 8.12 0.005 . 1 . . . . . . . . 6270 1 611 . 1 1 94 94 PHE CA C 13 57.3 0.05 . 1 . . . . . . . . 6270 1 612 . 1 1 94 94 PHE HA H 1 4.48 0.005 . 1 . . . . . . . . 6270 1 613 . 1 1 94 94 PHE CB C 13 39.4 0.05 . 1 . . . . . . . . 6270 1 614 . 1 1 94 94 PHE HB2 H 1 3.00 0.005 . 2 . . . . . . . . 6270 1 615 . 1 1 94 94 PHE HB3 H 1 2.87 0.005 . 2 . . . . . . . . 6270 1 616 . 1 1 94 94 PHE HD1 H 1 7.11 0.005 . 1 . . . . . . . . 6270 1 617 . 1 1 94 94 PHE HD2 H 1 7.11 0.005 . 1 . . . . . . . . 6270 1 618 . 1 1 95 95 LYS N N 15 122.4 0.05 . 1 . . . . . . . . 6270 1 619 . 1 1 95 95 LYS H H 1 8.15 0.005 . 1 . . . . . . . . 6270 1 620 . 1 1 95 95 LYS CA C 13 55.7 0.05 . 1 . . . . . . . . 6270 1 621 . 1 1 95 95 LYS HA H 1 4.12 0.005 . 1 . . . . . . . . 6270 1 622 . 1 1 95 95 LYS CB C 13 32.6 0.05 . 1 . . . . . . . . 6270 1 623 . 1 1 95 95 LYS HB2 H 1 1.60 0.005 . 2 . . . . . . . . 6270 1 624 . 1 1 95 95 LYS HB3 H 1 1.56 0.005 . 2 . . . . . . . . 6270 1 625 . 1 1 95 95 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . 6270 1 626 . 1 1 95 95 LYS HG2 H 1 1.34 0.005 . 1 . . . . . . . . 6270 1 627 . 1 1 95 95 LYS HG3 H 1 1.34 0.005 . 1 . . . . . . . . 6270 1 628 . 1 1 95 95 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 6270 1 629 . 1 1 95 95 LYS HD2 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 630 . 1 1 95 95 LYS HD3 H 1 1.56 0.005 . 1 . . . . . . . . 6270 1 631 . 1 1 95 95 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 6270 1 632 . 1 1 95 95 LYS HE2 H 1 2.86 0.005 . 1 . . . . . . . . 6270 1 633 . 1 1 95 95 LYS HE3 H 1 2.86 0.005 . 1 . . . . . . . . 6270 1 634 . 1 1 96 96 HIS N N 15 120.0 0.05 . 1 . . . . . . . . 6270 1 635 . 1 1 96 96 HIS H H 1 8.42 0.005 . 1 . . . . . . . . 6270 1 636 . 1 1 96 96 HIS CA C 13 54.8 0.05 . 1 . . . . . . . . 6270 1 637 . 1 1 96 96 HIS HA H 1 4.54 0.005 . 1 . . . . . . . . 6270 1 638 . 1 1 96 96 HIS CB C 13 28.7 0.05 . 1 . . . . . . . . 6270 1 639 . 1 1 96 96 HIS HB2 H 1 3.08 0.005 . 2 . . . . . . . . 6270 1 640 . 1 1 96 96 HIS HB3 H 1 3.02 0.005 . 2 . . . . . . . . 6270 1 641 . 1 1 96 96 HIS HD1 H 1 7.00 0.005 . 1 . . . . . . . . 6270 1 642 . 1 1 96 96 HIS HE1 H 1 7.33 0.005 . 1 . . . . . . . . 6270 1 643 . 1 1 97 97 VAL N N 15 122.4 0.05 . 1 . . . . . . . . 6270 1 644 . 1 1 97 97 VAL H H 1 8.13 0.005 . 1 . . . . . . . . 6270 1 645 . 1 1 97 97 VAL CA C 13 61.7 0.05 . 1 . . . . . . . . 6270 1 646 . 1 1 97 97 VAL HA H 1 3.99 0.005 . 1 . . . . . . . . 6270 1 647 . 1 1 97 97 VAL CB C 13 32.4 0.05 . 1 . . . . . . . . 6270 1 648 . 1 1 97 97 VAL HB H 1 1.92 0.005 . 1 . . . . . . . . 6270 1 649 . 1 1 97 97 VAL HG11 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 650 . 1 1 97 97 VAL HG12 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 651 . 1 1 97 97 VAL HG13 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 652 . 1 1 97 97 VAL HG21 H 1 0.77 0.005 . 2 . . . . . . . . 6270 1 653 . 1 1 97 97 VAL HG22 H 1 0.77 0.005 . 2 . . . . . . . . 6270 1 654 . 1 1 97 97 VAL HG23 H 1 0.77 0.005 . 2 . . . . . . . . 6270 1 655 . 1 1 97 97 VAL CG1 C 13 20.3 0.05 . 1 . . . . . . . . 6270 1 656 . 1 1 98 98 ALA N N 15 127.9 0.05 . 1 . . . . . . . . 6270 1 657 . 1 1 98 98 ALA H H 1 8.41 0.005 . 1 . . . . . . . . 6270 1 658 . 1 1 98 98 ALA CA C 13 52.2 0.05 . 1 . . . . . . . . 6270 1 659 . 1 1 98 98 ALA HA H 1 4.17 0.005 . 1 . . . . . . . . 6270 1 660 . 1 1 98 98 ALA HB1 H 1 1.28 0.005 . 1 . . . . . . . . 6270 1 661 . 1 1 98 98 ALA HB2 H 1 1.28 0.005 . 1 . . . . . . . . 6270 1 662 . 1 1 98 98 ALA HB3 H 1 1.28 0.005 . 1 . . . . . . . . 6270 1 663 . 1 1 99 99 GLY N N 15 108.5 0.05 . 1 . . . . . . . . 6270 1 664 . 1 1 99 99 GLY H H 1 8.19 0.005 . 1 . . . . . . . . 6270 1 665 . 1 1 99 99 GLY CA C 13 44.9 0.05 . 1 . . . . . . . . 6270 1 666 . 1 1 99 99 GLY HA2 H 1 3.83 0.005 . 1 . . . . . . . . 6270 1 667 . 1 1 99 99 GLY HA3 H 1 3.83 0.005 . 1 . . . . . . . . 6270 1 668 . 1 1 100 100 ALA N N 15 123.5 0.05 . 1 . . . . . . . . 6270 1 669 . 1 1 100 100 ALA H H 1 8.06 0.005 . 1 . . . . . . . . 6270 1 670 . 1 1 100 100 ALA CA C 13 52.4 0.05 . 1 . . . . . . . . 6270 1 671 . 1 1 100 100 ALA HA H 1 4.22 0.005 . 1 . . . . . . . . 6270 1 672 . 1 1 100 100 ALA HB1 H 1 0.79 0.005 . 1 . . . . . . . . 6270 1 673 . 1 1 100 100 ALA HB2 H 1 0.79 0.005 . 1 . . . . . . . . 6270 1 674 . 1 1 100 100 ALA HB3 H 1 0.79 0.005 . 1 . . . . . . . . 6270 1 675 . 1 1 102 102 ALA N N 15 123.0 0.05 . 1 . . . . . . . . 6270 1 676 . 1 1 102 102 ALA H H 1 8.22 0.005 . 1 . . . . . . . . 6270 1 677 . 1 1 102 102 ALA HB1 H 1 1.28 0.005 . 1 . . . . . . . . 6270 1 678 . 1 1 102 102 ALA HB2 H 1 1.28 0.005 . 1 . . . . . . . . 6270 1 679 . 1 1 102 102 ALA HB3 H 1 1.28 0.005 . 1 . . . . . . . . 6270 1 680 . 1 1 103 103 ALA N N 15 123.0 0.05 . 1 . . . . . . . . 6270 1 681 . 1 1 103 103 ALA H H 1 8.23 0.005 . 1 . . . . . . . . 6270 1 682 . 1 1 103 103 ALA CA C 13 52.2 0.05 . 1 . . . . . . . . 6270 1 683 . 1 1 103 103 ALA HA H 1 4.19 0.005 . 1 . . . . . . . . 6270 1 684 . 1 1 103 103 ALA HB1 H 1 1.26 0.005 . 1 . . . . . . . . 6270 1 685 . 1 1 103 103 ALA HB2 H 1 1.26 0.005 . 1 . . . . . . . . 6270 1 686 . 1 1 103 103 ALA HB3 H 1 1.26 0.005 . 1 . . . . . . . . 6270 1 687 . 1 1 103 103 ALA CB C 13 19.1 0.05 . 1 . . . . . . . . 6270 1 688 . 1 1 104 104 GLY N N 15 107.7 0.05 . 1 . . . . . . . . 6270 1 689 . 1 1 104 104 GLY H H 1 8.22 0.005 . 1 . . . . . . . . 6270 1 690 . 1 1 104 104 GLY CA C 13 45.0 0.05 . 1 . . . . . . . . 6270 1 691 . 1 1 104 104 GLY HA2 H 1 3.81 0.005 . 1 . . . . . . . . 6270 1 692 . 1 1 104 104 GLY HA3 H 1 3.81 0.005 . 1 . . . . . . . . 6270 1 693 . 1 1 105 105 ALA N N 15 123.1 0.05 . 1 . . . . . . . . 6270 1 694 . 1 1 105 105 ALA H H 1 7.94 0.005 . 1 . . . . . . . . 6270 1 695 . 1 1 105 105 ALA CA C 13 52.0 0.05 . 1 . . . . . . . . 6270 1 696 . 1 1 105 105 ALA HA H 1 4.22 0.005 . 1 . . . . . . . . 6270 1 697 . 1 1 105 105 ALA HB1 H 1 1.25 0.005 . 1 . . . . . . . . 6270 1 698 . 1 1 105 105 ALA HB2 H 1 1.25 0.005 . 1 . . . . . . . . 6270 1 699 . 1 1 105 105 ALA HB3 H 1 1.25 0.005 . 1 . . . . . . . . 6270 1 700 . 1 1 105 105 ALA CB C 13 19.1 0.05 . 1 . . . . . . . . 6270 1 701 . 1 1 106 106 VAL N N 15 119.5 0.05 . 1 . . . . . . . . 6270 1 702 . 1 1 106 106 VAL H H 1 8.04 0.005 . 1 . . . . . . . . 6270 1 703 . 1 1 106 106 VAL CA C 13 62.0 0.05 . 1 . . . . . . . . 6270 1 704 . 1 1 106 106 VAL HA H 1 4.00 0.005 . 1 . . . . . . . . 6270 1 705 . 1 1 106 106 VAL HB H 1 1.89 0.005 . 1 . . . . . . . . 6270 1 706 . 1 1 106 106 VAL HG11 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 707 . 1 1 106 106 VAL HG12 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 708 . 1 1 106 106 VAL HG13 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 709 . 1 1 107 107 VAL N N 15 124.2 0.05 . 1 . . . . . . . . 6270 1 710 . 1 1 107 107 VAL H H 1 8.18 0.005 . 1 . . . . . . . . 6270 1 711 . 1 1 107 107 VAL CA C 13 62.0 0.05 . 1 . . . . . . . . 6270 1 712 . 1 1 107 107 VAL HA H 1 4.00 0.005 . 1 . . . . . . . . 6270 1 713 . 1 1 107 107 VAL CB C 13 32.4 0.05 . 1 . . . . . . . . 6270 1 714 . 1 1 107 107 VAL HB H 1 1.91 0.005 . 1 . . . . . . . . 6270 1 715 . 1 1 107 107 VAL HG11 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 716 . 1 1 107 107 VAL HG12 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 717 . 1 1 107 107 VAL HG13 H 1 0.79 0.005 . 2 . . . . . . . . 6270 1 718 . 1 1 107 107 VAL CG1 C 13 20.3 0.05 . 1 . . . . . . . . 6270 1 stop_ save_