data_4370 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4370 _Entry.Title ; 1H and 15N chemical shift assignments for HP-RNase ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-07-19 _Entry.Accession_date 1999-07-29 _Entry.Last_release_date 2000-12-14 _Entry.Original_release_date 2000-12-14 _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 Abderraman El-Joubary . . . 4370 2 Marta Bruix . . . 4370 3 Jorge Santoro . . . 4370 4 Valeria Cafaro . . . 4370 5 Roberta Scognamiglio . . . 4370 6 Alberto 'Di Donato' . . . 4370 7 Giuseppe D'Alessio . . . 4370 8 Katalin Kover . E. . 4370 9 Gyula Batta . . . 4370 10 Laszlo Szilagyi . . . 4370 11 Manuel Rico . . . 4370 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4370 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 143 4370 '1H chemical shifts' 795 4370 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 . . 2000-12-14 1999-07-19 original author . 4370 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4370 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20142319 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; El-Joubary, A., Bruix, M., Santoro, J., Cafaro, V., Scognamiglio, R., Di Donato, A., D'Alessio, G., Kover, K.E., Batta, G., Szilagyi, L, and Rico, M., "1H and 15N Sequential Assignment and Solution Secondary Structure of 15N Labelled Human Pancreatic Ribonuclease," J. Biomol. NMR 15, 265-266 (1999). ; _Citation.Title ; 1H and 15N Sequential Assignment and Solution Secondary Structure of 15N Labelled Human Pancreatic Ribonuclease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 15 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 265 _Citation.Page_last 266 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Abderraman El-Joubary . . . 4370 1 2 Marta Bruix . . . 4370 1 3 Jorge Santoro . . . 4370 1 4 Valeria Cafaro . . . 4370 1 5 Roberta Scognamiglio . . . 4370 1 6 Alberto 'Di Donato' . . . 4370 1 7 Giuseppe D'Alessio . . . 4370 1 8 Katalin Kover . E. . 4370 1 9 Gyula Batta . . . 4370 1 10 Laszlo Szilagyi . . . 4370 1 11 Manuel Rico . . . 4370 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'antitumor potential-structure relationship' 4370 1 cytotoxins 4370 1 'ribonuclease superfamily' 4370 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4370 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 6201087 _Citation.Full_citation ; Beintema, J.J., Wietzes, P. Weickmann, J.L. and Glitz, D.G. Anal. Biochem. (1984) 136, 48-64 ; _Citation.Title 'The amino acid sequence of human pancreatic ribonuclease.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Anal. Biochem.' _Citation.Journal_name_full 'Analytical biochemistry' _Citation.Journal_volume 136 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0003-2697 _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 48 _Citation.Page_last 64 _Citation.Year 1984 _Citation.Details ; The primary structure of human (Homo sapiens) pancreatic ribonuclease has been determined by automatic sequencing of the native protein and by analysis of peptides obtained by cleavage with proteolytic enzymes, cyanogen bromide, and hydroxylamine. The following sequence was deduced: (sequence in text). Human pancreatic ribonuclease differs at 37 positions from bovine pancreatic ribonuclease. In addition the human enzyme has three more residues at the C-terminus. About half of the enzyme molecules contain carbohydrate attached to the sequence Asn-Met-Thr (34-36). Two other Asn-X-Ser/Thr sequences are carbohydrate free. Human pancreatic ribonuclease contains many positively charged residues, especially near the N-terminus, while negatively charged residues are more concentrated near the C-terminus. ; 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 'J J' Beintema J. J. . 4370 2 2 P Wietzes P. . . 4370 2 3 'J L' Weickmann J. L. . 4370 2 4 'D G' Glitz D. G. . 4370 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4370 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7654266 _Citation.Full_citation ; Russo, N., de NIgris, M., Ciardello, A., Di Donato, A and D'Alessio, G. FEBS Lett. (1993) 333, 233-237. Anal. Biochem. (1984) 136, 48-64 ; _Citation.Title 'Expression in mammalian cells, purification and characterization of recombinant human pancreatic ribonuclease.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 333 _Citation.Journal_issue 3 _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 233 _Citation.Page_last 237 _Citation.Year 1993 _Citation.Details ; A synthetic cDNA coding for human pancreatic RNase, equipped with a secretion signal sequence, was cloned and stably expressed in Chinese hamster ovary cells. The recombinant RNase, secreted into the culture medium, was purified and characterized. It was found to be indistinguishable, by structural and catalytic parameters, from the enzyme isolated from human pancreas. Furthermore, the glycosylated forms were separated from the non-glycosylated form. Up until now, human RNases have been isolated only in small amounts from autopic specimens. This has hindered the exploitation of a human RNase for the construction of immunotolerated immunotoxins. On the other hand, the availability of an effective system for the expression of a human RNase may render feasible the transfer, by protein engineering, of the interesting pharmacological actions of non-human RNase [1993 Trends Cell Biol. 3, 106-109] to an immunotolerated, human RNase. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N Russo N. . . 4370 3 2 M 'de Nigris' M. . . 4370 3 3 A Ciardiello A. . . 4370 3 4 A 'Di Donato' A. . . 4370 3 5 G D'Alessio G. . . 4370 3 stop_ save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 4370 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10393896 _Citation.Full_citation ; Piccoli, R., Di Gaetano, S., De Lorenzo, C., Grauso, M., Monaco, C., Saplleti Cernia, D., Lacetti, P. Cinatl, J., Matousek, J. D'Alessio, G. Proc. Natl. Academ. Sci. USA (1999) in press ; _Citation.Title 'A dimeric mutant of human pancreatic ribonuclease with selective cytotoxicity toward malignant cells.' _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 96 _Citation.Journal_issue 14 _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 7768 _Citation.Page_last 7773 _Citation.Year 1999 _Citation.Details ; Monomeric human pancreatic RNase, devoid of any biological activity other than its RNA degrading ability, was engineered into a dimeric protein with a cytotoxic action on mouse and human tumor cells, but lacking any appreciable toxicity on mouse and human normal cells. This dimeric variant of human pancreas RNase selectively sensitizes to apoptotic death cells derived from a human thyroid tumor. Because of its selectivity for tumor cells, and because of its human origin, this protein represents a potentially very attractive, novel tool for anticancer therapy. ; 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 Piccoli R. . . 4370 4 2 S 'Di Gaetano' S. . . 4370 4 3 C 'De Lorenzo' C. . . 4370 4 4 M Grauso M. . . 4370 4 5 C Monaco C. . . 4370 4 6 D Spalletti-Cernia D. . . 4370 4 7 P Laccetti P. . . 4370 4 8 J Cinatl J. . . 4370 4 9 J Matousek J. . . 4370 4 10 G D'Alessio G. . . 4370 4 stop_ save_ save_ref_4 _Citation.Sf_category citations _Citation.Sf_framecode ref_4 _Citation.Entry_ID 4370 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Youle, R.J. and D'Alessio, G. Ribonucleases. Structure and Functions (D'Alessio, G. & Riordan, F.J. Eds) (1997) pp491-514, Academic Press, New York, NY. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HP-RNase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HP-RNase _Assembly.Entry_ID 4370 _Assembly.ID 1 _Assembly.Name 'Human Pancreatic Ribonuclease' _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 disulfide bound' _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 4370 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 HP-RNase 1 $HP-RNase . . . native . . . . . 4370 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 27 27 SG . 1 . 1 CYS 85 85 SG . . . . . . . . . . 4370 1 2 disulfide single . 1 . . CYS 41 41 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . 4370 1 3 disulfide single . 1 . . CYS 66 66 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . 4370 1 4 disulfide single . 1 . . CYS 59 59 SG . 1 . 1 CYS 111 111 SG . . . . . . . . . . 4370 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . 7 1 1 CYS 96 96 HG . . . . 4370 1 . 8 1 1 CYS 111 111 HG . . . . 4370 1 . 5 1 1 CYS 73 73 HG . . . . 4370 1 . 6 1 1 CYS 85 85 HG . . . . 4370 1 . 3 1 1 CYS 59 59 HG . . . . 4370 1 . 4 1 1 CYS 66 66 HG . . . . 4370 1 . 1 1 1 CYS 27 27 HG . . . . 4370 1 . 2 1 1 CYS 41 41 HG . . . . 4370 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID HP-RNase abbreviation 4370 1 'Human Pancreatic Ribonuclease' system 4370 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HP-RNase _Entity.Sf_category entity _Entity.Sf_framecode HP-RNase _Entity.Entry_ID 4370 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human Pancreatic Ribonuclease' _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 ; MKESRAKKFQRQHMDSDSSP SSSSTYCNQMMRRRNMTQGR CKPVNTFVHEPLVDVQNVCF QEKVTCKNGQGNCYKSNSSM HITDCRLTNGSRYPNCAYRT SPKERHIIVACEGSPYVPVH FDASVEDS ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 'The recombinant protein obtained has a Met residue at the position preceding Lys 1' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1E21 . "Ribonuclease 1 Des1-7 Crystal Structure At 1.9a" . . . . . 99.22 128 99.21 99.21 4.30e-88 . . . . 4370 1 2 no PDB 1Z7X . "X-Ray Structure Of Human Ribonuclease Inhibitor Complexed With Ribonuclease I" . . . . . 100.00 129 100.00 100.00 8.89e-90 . . . . 4370 1 3 no PDB 2E0J . "Mutant Human Ribonuclease 1 (r31l, R32l)" . . . . . 100.00 129 98.44 98.44 6.16e-88 . . . . 4370 1 4 no PDB 2E0L . "Mutant Human Ribonuclease 1 (Q28l, R31l, R32l)" . . . . . 100.00 129 97.66 97.66 5.97e-87 . . . . 4370 1 5 no PDB 2K11 . "Solution Structure Of Human Pancreatic Ribonuclease" . . . . . 99.22 127 100.00 100.00 1.06e-88 . . . . 4370 1 6 no PDB 2Q4G . "Ensemble Refinement Of The Protein Crystal Structure Of Human Ribonuclease Inhibitor Complexed With Ribonuclease I" . . . . . 100.00 129 100.00 100.00 8.89e-90 . . . . 4370 1 7 no DBJ BAA05124 . "ribonuclease A precursor [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 8 no DBJ BAG35036 . "unnamed protein product [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 9 no EMBL CAA44718 . "pancreatic ribonuclease [Homo sapiens]" . . . . . 94.53 127 100.00 100.00 1.91e-84 . . . . 4370 1 10 no EMBL CAA55817 . "pancreatic ribonuclease [Homo sapiens]" . . . . . 96.88 152 99.19 100.00 8.40e-87 . . . . 4370 1 11 no EMBL CAG29314 . "RNASE1 [Homo sapiens]" . . . . . 99.22 156 99.21 99.21 8.68e-89 . . . . 4370 1 12 no EMBL CAI47727 . "BerH2-scFv-hpRNase precursor [Drosophila melanogaster]" . . . . . 96.88 440 99.19 100.00 1.15e-84 . . . . 4370 1 13 no GB AAB35096 . "pancreatic ribonuclease [Homo sapiens]" . . . . . 99.22 153 100.00 100.00 1.45e-89 . . . . 4370 1 14 no GB AAH05324 . "Ribonuclease, RNase A family, 1 (pancreatic) [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 15 no GB AAH22882 . "Ribonuclease, RNase A family, 1 (pancreatic) [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 16 no GB AAL87049 . "pancreatic ribonuclease [Pan troglodytes]" . . . . . 99.22 156 98.43 99.21 1.01e-87 . . . . 4370 1 17 no GB AAL87050 . "pancreatic ribonuclease [Gorilla gorilla]" . . . . . 99.22 156 98.43 100.00 2.32e-88 . . . . 4370 1 18 no REF NP_001009108 . "ribonuclease pancreatic precursor [Pan troglodytes]" . . . . . 99.22 156 99.21 100.00 6.98e-89 . . . . 4370 1 19 no REF NP_002924 . "ribonuclease pancreatic precursor [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 20 no REF NP_937875 . "ribonuclease pancreatic precursor [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 21 no REF NP_937877 . "ribonuclease pancreatic precursor [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 22 no REF NP_937878 . "ribonuclease pancreatic precursor [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 23 no SP P07998 . "RecName: Full=Ribonuclease pancreatic; AltName: Full=HP-RNase; AltName: Full=RIB-1; AltName: Full=RNase UpI-1; AltName: Full=Ri" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 24 no SP Q8SQ11 . "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A; Flags: Precursor" . . . . . 99.22 156 98.43 99.21 5.09e-88 . . . . 4370 1 25 no SP Q8SQ13 . "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A; Flags: Precursor" . . . . . 99.22 156 98.43 100.00 2.32e-88 . . . . 4370 1 26 no SP Q8SQ14 . "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A; Flags: Precursor" . . . . . 99.22 156 98.43 99.21 1.01e-87 . . . . 4370 1 27 no TPE CDG31913 . "TPA: ribonuclease A C1 [Homo sapiens]" . . . . . 99.22 156 100.00 100.00 1.22e-89 . . . . 4370 1 28 no TPE CDG31928 . "TPA: ribonuclease A C1 [Pan troglodytes]" . . . . . 99.22 156 99.21 100.00 6.98e-89 . . . . 4370 1 29 no TPE CDG31954 . "TPA: ribonuclease A C1 [Nomascus leucogenys]" . . . . . 99.22 156 98.43 99.21 5.09e-88 . . . . 4370 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HP-RNase abbreviation 4370 1 'Human Pancreatic Ribonuclease' common 4370 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 MET . 4370 1 2 1 LYS . 4370 1 3 2 GLU . 4370 1 4 3 SER . 4370 1 5 4 ARG . 4370 1 6 5 ALA . 4370 1 7 6 LYS . 4370 1 8 7 LYS . 4370 1 9 8 PHE . 4370 1 10 9 GLN . 4370 1 11 10 ARG . 4370 1 12 11 GLN . 4370 1 13 12 HIS . 4370 1 14 13 MET . 4370 1 15 14 ASP . 4370 1 16 15 SER . 4370 1 17 16 ASP . 4370 1 18 17 SER . 4370 1 19 18 SER . 4370 1 20 19 PRO . 4370 1 21 20 SER . 4370 1 22 21 SER . 4370 1 23 22 SER . 4370 1 24 23 SER . 4370 1 25 24 THR . 4370 1 26 25 TYR . 4370 1 27 26 CYS . 4370 1 28 27 ASN . 4370 1 29 28 GLN . 4370 1 30 29 MET . 4370 1 31 30 MET . 4370 1 32 31 ARG . 4370 1 33 32 ARG . 4370 1 34 33 ARG . 4370 1 35 34 ASN . 4370 1 36 35 MET . 4370 1 37 36 THR . 4370 1 38 37 GLN . 4370 1 39 38 GLY . 4370 1 40 39 ARG . 4370 1 41 40 CYS . 4370 1 42 41 LYS . 4370 1 43 42 PRO . 4370 1 44 43 VAL . 4370 1 45 44 ASN . 4370 1 46 45 THR . 4370 1 47 46 PHE . 4370 1 48 47 VAL . 4370 1 49 48 HIS . 4370 1 50 49 GLU . 4370 1 51 50 PRO . 4370 1 52 51 LEU . 4370 1 53 52 VAL . 4370 1 54 53 ASP . 4370 1 55 54 VAL . 4370 1 56 55 GLN . 4370 1 57 56 ASN . 4370 1 58 57 VAL . 4370 1 59 58 CYS . 4370 1 60 59 PHE . 4370 1 61 60 GLN . 4370 1 62 61 GLU . 4370 1 63 62 LYS . 4370 1 64 63 VAL . 4370 1 65 64 THR . 4370 1 66 65 CYS . 4370 1 67 66 LYS . 4370 1 68 67 ASN . 4370 1 69 68 GLY . 4370 1 70 69 GLN . 4370 1 71 70 GLY . 4370 1 72 71 ASN . 4370 1 73 72 CYS . 4370 1 74 73 TYR . 4370 1 75 74 LYS . 4370 1 76 75 SER . 4370 1 77 76 ASN . 4370 1 78 77 SER . 4370 1 79 78 SER . 4370 1 80 79 MET . 4370 1 81 80 HIS . 4370 1 82 81 ILE . 4370 1 83 82 THR . 4370 1 84 83 ASP . 4370 1 85 84 CYS . 4370 1 86 85 ARG . 4370 1 87 86 LEU . 4370 1 88 87 THR . 4370 1 89 88 ASN . 4370 1 90 89 GLY . 4370 1 91 90 SER . 4370 1 92 91 ARG . 4370 1 93 92 TYR . 4370 1 94 93 PRO . 4370 1 95 94 ASN . 4370 1 96 95 CYS . 4370 1 97 96 ALA . 4370 1 98 97 TYR . 4370 1 99 98 ARG . 4370 1 100 99 THR . 4370 1 101 100 SER . 4370 1 102 101 PRO . 4370 1 103 102 LYS . 4370 1 104 103 GLU . 4370 1 105 104 ARG . 4370 1 106 105 HIS . 4370 1 107 106 ILE . 4370 1 108 107 ILE . 4370 1 109 108 VAL . 4370 1 110 109 ALA . 4370 1 111 110 CYS . 4370 1 112 111 GLU . 4370 1 113 112 GLY . 4370 1 114 113 SER . 4370 1 115 114 PRO . 4370 1 116 115 TYR . 4370 1 117 116 VAL . 4370 1 118 117 PRO . 4370 1 119 118 VAL . 4370 1 120 119 HIS . 4370 1 121 120 PHE . 4370 1 122 121 ASP . 4370 1 123 122 ALA . 4370 1 124 123 SER . 4370 1 125 124 VAL . 4370 1 126 125 GLU . 4370 1 127 126 ASP . 4370 1 128 127 SER . 4370 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 4370 1 . LYS 2 2 4370 1 . GLU 3 3 4370 1 . SER 4 4 4370 1 . ARG 5 5 4370 1 . ALA 6 6 4370 1 . LYS 7 7 4370 1 . LYS 8 8 4370 1 . PHE 9 9 4370 1 . GLN 10 10 4370 1 . ARG 11 11 4370 1 . GLN 12 12 4370 1 . HIS 13 13 4370 1 . MET 14 14 4370 1 . ASP 15 15 4370 1 . SER 16 16 4370 1 . ASP 17 17 4370 1 . SER 18 18 4370 1 . SER 19 19 4370 1 . PRO 20 20 4370 1 . SER 21 21 4370 1 . SER 22 22 4370 1 . SER 23 23 4370 1 . SER 24 24 4370 1 . THR 25 25 4370 1 . TYR 26 26 4370 1 . CYS 27 27 4370 1 . ASN 28 28 4370 1 . GLN 29 29 4370 1 . MET 30 30 4370 1 . MET 31 31 4370 1 . ARG 32 32 4370 1 . ARG 33 33 4370 1 . ARG 34 34 4370 1 . ASN 35 35 4370 1 . MET 36 36 4370 1 . THR 37 37 4370 1 . GLN 38 38 4370 1 . GLY 39 39 4370 1 . ARG 40 40 4370 1 . CYS 41 41 4370 1 . LYS 42 42 4370 1 . PRO 43 43 4370 1 . VAL 44 44 4370 1 . ASN 45 45 4370 1 . THR 46 46 4370 1 . PHE 47 47 4370 1 . VAL 48 48 4370 1 . HIS 49 49 4370 1 . GLU 50 50 4370 1 . PRO 51 51 4370 1 . LEU 52 52 4370 1 . VAL 53 53 4370 1 . ASP 54 54 4370 1 . VAL 55 55 4370 1 . GLN 56 56 4370 1 . ASN 57 57 4370 1 . VAL 58 58 4370 1 . CYS 59 59 4370 1 . PHE 60 60 4370 1 . GLN 61 61 4370 1 . GLU 62 62 4370 1 . LYS 63 63 4370 1 . VAL 64 64 4370 1 . THR 65 65 4370 1 . CYS 66 66 4370 1 . LYS 67 67 4370 1 . ASN 68 68 4370 1 . GLY 69 69 4370 1 . GLN 70 70 4370 1 . GLY 71 71 4370 1 . ASN 72 72 4370 1 . CYS 73 73 4370 1 . TYR 74 74 4370 1 . LYS 75 75 4370 1 . SER 76 76 4370 1 . ASN 77 77 4370 1 . SER 78 78 4370 1 . SER 79 79 4370 1 . MET 80 80 4370 1 . HIS 81 81 4370 1 . ILE 82 82 4370 1 . THR 83 83 4370 1 . ASP 84 84 4370 1 . CYS 85 85 4370 1 . ARG 86 86 4370 1 . LEU 87 87 4370 1 . THR 88 88 4370 1 . ASN 89 89 4370 1 . GLY 90 90 4370 1 . SER 91 91 4370 1 . ARG 92 92 4370 1 . TYR 93 93 4370 1 . PRO 94 94 4370 1 . ASN 95 95 4370 1 . CYS 96 96 4370 1 . ALA 97 97 4370 1 . TYR 98 98 4370 1 . ARG 99 99 4370 1 . THR 100 100 4370 1 . SER 101 101 4370 1 . PRO 102 102 4370 1 . LYS 103 103 4370 1 . GLU 104 104 4370 1 . ARG 105 105 4370 1 . HIS 106 106 4370 1 . ILE 107 107 4370 1 . ILE 108 108 4370 1 . VAL 109 109 4370 1 . ALA 110 110 4370 1 . CYS 111 111 4370 1 . GLU 112 112 4370 1 . GLY 113 113 4370 1 . SER 114 114 4370 1 . PRO 115 115 4370 1 . TYR 116 116 4370 1 . VAL 117 117 4370 1 . PRO 118 118 4370 1 . VAL 119 119 4370 1 . HIS 120 120 4370 1 . PHE 121 121 4370 1 . ASP 122 122 4370 1 . ALA 123 123 4370 1 . SER 124 124 4370 1 . VAL 125 125 4370 1 . GLU 126 126 4370 1 . ASP 127 127 4370 1 . SER 128 128 4370 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 4370 _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 $HP-RNase . 9606 organism . 'Homo sapiens' humans . . Eukaryota Metazoa Homo sapiens . . . pancreas . . . . . . . . . . . . . . . . . 4370 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 4370 _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 $HP-RNase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4370 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4370 _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 'Human Pancreatic Ribonuclease' . . . 1 $HP-RNase . . . 1 1.5 mM . . . . 4370 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4370 _Sample.ID 2 _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 'Human Pancreatic Ribonuclease' '[U-95% 15N]' . . 1 $HP-RNase . . . 1 1.5 mM . . . . 4370 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 4370 _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' 0.6 . . 4370 1 pH 4.2 0.1 pH 4370 1 temperature 293 0.1 K 4370 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 4370 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.6 . M 4370 2 pH 4.2 0.1 pH 4370 2 temperature 298 0.1 K 4370 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 4370 _Sample_condition_list.ID 3 _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' 0.6 . M 4370 3 pH 4.2 0.1 pH 4370 3 temperature 303 0.1 K 4370 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 4370 _Sample_condition_list.ID 4 _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' 0.6 . M 4370 4 pH 4.2 0.1 pH 4370 4 temperature 308 0.1 K 4370 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 4370 _Sample_condition_list.ID 5 _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' 0.6 . M 4370 5 pH* 4.2 0.1 pH 4370 5 temperature 298 0.1 K 4370 5 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4370 _Software.ID 1 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'semi-automated peak assignments' 4370 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4370 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 4370 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 4370 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 4370 _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 COSY . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4370 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4370 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4370 1 4 15N-HSQC . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4370 1 5 15N-HSQC-TOCSY . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4370 1 6 15N-HSQC-NOESY . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4370 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4370 _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 TSP methyl . . . . ppm 0.00 internal direct 1.0000000 internal . parallel_to_Bo . . . . . . 4370 1 N 15 TSP methyl . . . . ppm 0.00 internal indirect 0.1329112 internal . parallel_to_Bo . . . . . . 4370 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4370 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 . 4370 1 . . 2 $sample_2 . 4370 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS H H 1 8.76 0.02 . 1 . . . . . . . . 4370 1 2 . 1 1 2 2 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 4370 1 3 . 1 1 2 2 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4370 1 4 . 1 1 2 2 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4370 1 5 . 1 1 3 3 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 4370 1 6 . 1 1 3 3 GLU HA H 1 4.36 0.02 . 1 . . . . . . . . 4370 1 7 . 1 1 3 3 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4370 1 8 . 1 1 3 3 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 4370 1 9 . 1 1 3 3 GLU HG2 H 1 2.50 0.02 . 2 . . . . . . . . 4370 1 10 . 1 1 3 3 GLU N N 15 125.5 0.3 . 1 . . . . . . . . 4370 1 11 . 1 1 4 4 SER H H 1 8.62 0.02 . 1 . . . . . . . . 4370 1 12 . 1 1 4 4 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 4370 1 13 . 1 1 4 4 SER HB2 H 1 4.21 0.02 . 2 . . . . . . . . 4370 1 14 . 1 1 4 4 SER HB3 H 1 4.10 0.02 . 2 . . . . . . . . 4370 1 15 . 1 1 4 4 SER N N 15 123.7 0.3 . 1 . . . . . . . . 4370 1 16 . 1 1 5 5 ARG H H 1 9.27 0.02 . 1 . . . . . . . . 4370 1 17 . 1 1 5 5 ARG HA H 1 4.13 0.02 . 1 . . . . . . . . 4370 1 18 . 1 1 5 5 ARG HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4370 1 19 . 1 1 5 5 ARG HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4370 1 20 . 1 1 5 5 ARG HG2 H 1 1.84 0.02 . 2 . . . . . . . . 4370 1 21 . 1 1 5 5 ARG HG3 H 1 1.66 0.02 . 2 . . . . . . . . 4370 1 22 . 1 1 5 5 ARG HD2 H 1 3.29 0.02 . 5 . . . . . . . . 4370 1 23 . 1 1 5 5 ARG HE H 1 7.62 0.02 . 5 . . . . . . . . 4370 1 24 . 1 1 5 5 ARG NE N 15 84.3 0.3 . 5 . . . . . . . . 4370 1 25 . 1 1 5 5 ARG N N 15 122.0 0.3 . 1 . . . . . . . . 4370 1 26 . 1 1 6 6 ALA H H 1 8.87 0.02 . 1 . . . . . . . . 4370 1 27 . 1 1 6 6 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 4370 1 28 . 1 1 6 6 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4370 1 29 . 1 1 6 6 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4370 1 30 . 1 1 6 6 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4370 1 31 . 1 1 6 6 ALA N N 15 122.1 0.3 . 1 . . . . . . . . 4370 1 32 . 1 1 7 7 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 4370 1 33 . 1 1 7 7 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4370 1 34 . 1 1 7 7 LYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4370 1 35 . 1 1 7 7 LYS HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4370 1 36 . 1 1 7 7 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 4370 1 37 . 1 1 7 7 LYS HD2 H 1 1.66 0.02 . 2 . . . . . . . . 4370 1 38 . 1 1 7 7 LYS HE2 H 1 3.08 0.02 . 2 . . . . . . . . 4370 1 39 . 1 1 7 7 LYS HE3 H 1 3.02 0.02 . 2 . . . . . . . . 4370 1 40 . 1 1 7 7 LYS N N 15 120.5 0.3 . 1 . . . . . . . . 4370 1 41 . 1 1 8 8 LYS H H 1 8.82 0.02 . 1 . . . . . . . . 4370 1 42 . 1 1 8 8 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 4370 1 43 . 1 1 8 8 LYS HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4370 1 44 . 1 1 8 8 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 4370 1 45 . 1 1 8 8 LYS HD2 H 1 1.77 0.02 . 2 . . . . . . . . 4370 1 46 . 1 1 8 8 LYS N N 15 123.9 0.3 . 1 . . . . . . . . 4370 1 47 . 1 1 9 9 PHE H H 1 8.10 0.02 . 1 . . . . . . . . 4370 1 48 . 1 1 9 9 PHE HA H 1 4.55 0.02 . 1 . . . . . . . . 4370 1 49 . 1 1 9 9 PHE HB2 H 1 3.39 0.02 . 1 . . . . . . . . 4370 1 50 . 1 1 9 9 PHE HB3 H 1 2.99 0.02 . 1 . . . . . . . . 4370 1 51 . 1 1 9 9 PHE HD1 H 1 7.05 0.02 . 1 . . . . . . . . 4370 1 52 . 1 1 9 9 PHE HD2 H 1 7.05 0.02 . 1 . . . . . . . . 4370 1 53 . 1 1 9 9 PHE HE1 H 1 6.98 0.02 . 1 . . . . . . . . 4370 1 54 . 1 1 9 9 PHE HE2 H 1 6.98 0.02 . 1 . . . . . . . . 4370 1 55 . 1 1 9 9 PHE HZ H 1 6.85 0.02 . 1 . . . . . . . . 4370 1 56 . 1 1 9 9 PHE N N 15 119.4 0.3 . 1 . . . . . . . . 4370 1 57 . 1 1 10 10 GLN H H 1 7.65 0.02 . 1 . . . . . . . . 4370 1 58 . 1 1 10 10 GLN HA H 1 3.78 0.02 . 1 . . . . . . . . 4370 1 59 . 1 1 10 10 GLN HB2 H 1 2.40 0.02 . 2 . . . . . . . . 4370 1 60 . 1 1 10 10 GLN HB3 H 1 2.33 0.02 . 2 . . . . . . . . 4370 1 61 . 1 1 10 10 GLN HG2 H 1 2.86 0.02 . 2 . . . . . . . . 4370 1 62 . 1 1 10 10 GLN HG3 H 1 2.39 0.02 . 2 . . . . . . . . 4370 1 63 . 1 1 10 10 GLN HE21 H 1 7.39 0.02 . 2 . . . . . . . . 4370 1 64 . 1 1 10 10 GLN HE22 H 1 7.19 0.02 . 2 . . . . . . . . 4370 1 65 . 1 1 10 10 GLN N N 15 118.8 0.3 . 1 . . . . . . . . 4370 1 66 . 1 1 10 10 GLN NE2 N 15 111.3 0.3 . 1 . . . . . . . . 4370 1 67 . 1 1 11 11 ARG H H 1 8.62 0.02 . 1 . . . . . . . . 4370 1 68 . 1 1 11 11 ARG HA H 1 4.07 0.02 . 1 . . . . . . . . 4370 1 69 . 1 1 11 11 ARG HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4370 1 70 . 1 1 11 11 ARG HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4370 1 71 . 1 1 11 11 ARG HG2 H 1 1.56 0.02 . 2 . . . . . . . . 4370 1 72 . 1 1 11 11 ARG HD2 H 1 3.37 0.02 . 2 . . . . . . . . 4370 1 73 . 1 1 11 11 ARG HD3 H 1 3.11 0.02 . 2 . . . . . . . . 4370 1 74 . 1 1 11 11 ARG HE H 1 9.77 0.02 . 1 . . . . . . . . 4370 1 75 . 1 1 11 11 ARG N N 15 121.1 0.3 . 1 . . . . . . . . 4370 1 76 . 1 1 11 11 ARG NE N 15 83.1 0.3 . 1 . . . . . . . . 4370 1 77 . 1 1 12 12 GLN H H 1 8.52 0.02 . 1 . . . . . . . . 4370 1 78 . 1 1 12 12 GLN HA H 1 3.84 0.02 . 1 . . . . . . . . 4370 1 79 . 1 1 12 12 GLN HB2 H 1 1.28 0.02 . 2 . . . . . . . . 4370 1 80 . 1 1 12 12 GLN HB3 H 1 1.14 0.02 . 2 . . . . . . . . 4370 1 81 . 1 1 12 12 GLN HG2 H 1 2.71 0.02 . 2 . . . . . . . . 4370 1 82 . 1 1 12 12 GLN N N 15 111.3 0.3 . 1 . . . . . . . . 4370 1 83 . 1 1 13 13 HIS H H 1 7.79 0.02 . 1 . . . . . . . . 4370 1 84 . 1 1 13 13 HIS HA H 1 4.98 0.02 . 1 . . . . . . . . 4370 1 85 . 1 1 13 13 HIS HB2 H 1 2.55 0.02 . 2 . . . . . . . . 4370 1 86 . 1 1 13 13 HIS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4370 1 87 . 1 1 13 13 HIS HD2 H 1 6.79 0.02 . 1 . . . . . . . . 4370 1 88 . 1 1 13 13 HIS HE1 H 1 8.52 0.02 . 1 . . . . . . . . 4370 1 89 . 1 1 13 13 HIS HD1 H 1 12.85 0.02 . 1 . . . . . . . . 4370 1 90 . 1 1 13 13 HIS N N 15 105.6 0.3 . 1 . . . . . . . . 4370 1 91 . 1 1 14 14 MET H H 1 8.11 0.02 . 1 . . . . . . . . 4370 1 92 . 1 1 14 14 MET HA H 1 5.46 0.02 . 1 . . . . . . . . 4370 1 93 . 1 1 14 14 MET HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4370 1 94 . 1 1 14 14 MET HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4370 1 95 . 1 1 14 14 MET HG2 H 1 2.98 0.02 . 2 . . . . . . . . 4370 1 96 . 1 1 14 14 MET HG3 H 1 2.37 0.02 . 2 . . . . . . . . 4370 1 97 . 1 1 14 14 MET HE1 H 1 2.11 0.02 . 1 . . . . . . . . 4370 1 98 . 1 1 14 14 MET HE2 H 1 2.11 0.02 . 1 . . . . . . . . 4370 1 99 . 1 1 14 14 MET HE3 H 1 2.11 0.02 . 1 . . . . . . . . 4370 1 100 . 1 1 14 14 MET N N 15 116.6 0.3 . 1 . . . . . . . . 4370 1 101 . 1 1 15 15 ASP H H 1 8.80 0.02 . 1 . . . . . . . . 4370 1 102 . 1 1 15 15 ASP HA H 1 5.07 0.02 . 1 . . . . . . . . 4370 1 103 . 1 1 15 15 ASP HB2 H 1 2.41 0.02 . 1 . . . . . . . . 4370 1 104 . 1 1 15 15 ASP HB3 H 1 2.41 0.02 . 1 . . . . . . . . 4370 1 105 . 1 1 15 15 ASP N N 15 122.7 0.3 . 1 . . . . . . . . 4370 1 106 . 1 1 16 16 SER H H 1 8.99 0.02 . 1 . . . . . . . . 4370 1 107 . 1 1 16 16 SER HA H 1 4.14 0.02 . 1 . . . . . . . . 4370 1 108 . 1 1 16 16 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 4370 1 109 . 1 1 16 16 SER HB3 H 1 3.66 0.02 . 2 . . . . . . . . 4370 1 110 . 1 1 16 16 SER N N 15 119.5 0.3 . 1 . . . . . . . . 4370 1 111 . 1 1 17 17 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 4370 1 112 . 1 1 17 17 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4370 1 113 . 1 1 17 17 ASP HB2 H 1 2.77 0.02 . 2 . . . . . . . . 4370 1 114 . 1 1 17 17 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4370 1 115 . 1 1 17 17 ASP N N 15 117.8 0.3 . 1 . . . . . . . . 4370 1 116 . 1 1 18 18 SER H H 1 7.21 0.02 . 1 . . . . . . . . 4370 1 117 . 1 1 18 18 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 4370 1 118 . 1 1 18 18 SER HB2 H 1 3.62 0.02 . 2 . . . . . . . . 4370 1 119 . 1 1 18 18 SER HB3 H 1 3.53 0.02 . 2 . . . . . . . . 4370 1 120 . 1 1 18 18 SER N N 15 115.4 0.3 . 1 . . . . . . . . 4370 1 121 . 1 1 19 19 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4370 1 122 . 1 1 19 19 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 4370 1 123 . 1 1 19 19 SER HB2 H 1 3.65 0.02 . 2 . . . . . . . . 4370 1 124 . 1 1 19 19 SER HB3 H 1 3.61 0.02 . 2 . . . . . . . . 4370 1 125 . 1 1 19 19 SER N N 15 116.4 0.3 . 1 . . . . . . . . 4370 1 126 . 1 1 20 20 PRO HA H 1 3.91 0.02 . 9 . . . . . . . . 4370 1 127 . 1 1 20 20 PRO HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4370 1 128 . 1 1 20 20 PRO HG2 H 1 1.55 0.02 . 2 . . . . . . . . 4370 1 129 . 1 1 20 20 PRO HD2 H 1 3.13 0.02 . 2 . . . . . . . . 4370 1 130 . 1 1 20 20 PRO HD3 H 1 2.95 0.02 . 2 . . . . . . . . 4370 1 131 . 1 1 21 21 SER H H 1 7.86 0.02 . 1 . . . . . . . . 4370 1 132 . 1 1 21 21 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4370 1 133 . 1 1 21 21 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 4370 1 134 . 1 1 21 21 SER HB3 H 1 3.72 0.02 . 2 . . . . . . . . 4370 1 135 . 1 1 21 21 SER N N 15 114.1 0.3 . 1 . . . . . . . . 4370 1 136 . 1 1 22 22 SER H H 1 8.23 0.02 . 1 . . . . . . . . 4370 1 137 . 1 1 22 22 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 4370 1 138 . 1 1 22 22 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 4370 1 139 . 1 1 22 22 SER HB3 H 1 3.71 0.02 . 2 . . . . . . . . 4370 1 140 . 1 1 22 22 SER N N 15 118.0 0.3 . 1 . . . . . . . . 4370 1 141 . 1 1 23 23 SER H H 1 8.38 0.02 . 1 . . . . . . . . 4370 1 142 . 1 1 23 23 SER HA H 1 4.60 0.02 . 1 . . . . . . . . 4370 1 143 . 1 1 23 23 SER HB2 H 1 4.13 0.02 . 2 . . . . . . . . 4370 1 144 . 1 1 23 23 SER HB3 H 1 3.96 0.02 . 2 . . . . . . . . 4370 1 145 . 1 1 23 23 SER N N 15 117.8 0.3 . 1 . . . . . . . . 4370 1 146 . 1 1 24 24 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 4370 1 147 . 1 1 24 24 SER HB2 H 1 4.21 0.02 . 1 . . . . . . . . 4370 1 148 . 1 1 24 24 SER HB3 H 1 4.12 0.02 . 2 . . . . . . . . 4370 1 149 . 1 1 24 24 SER H H 1 8.58 0.02 . 1 . . . . . . . . 4370 1 150 . 1 1 24 24 SER N N 15 117.0 0.3 . 1 . . . . . . . . 4370 1 151 . 1 1 25 25 THR H H 1 8.10 0.02 . 2 . . . . . . . . 4370 1 152 . 1 1 25 25 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 4370 1 153 . 1 1 25 25 THR HB H 1 4.66 0.02 . 1 . . . . . . . . 4370 1 154 . 1 1 25 25 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 4370 1 155 . 1 1 25 25 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 4370 1 156 . 1 1 25 25 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 4370 1 157 . 1 1 25 25 THR N N 15 111.1 0.3 . 1 . . . . . . . . 4370 1 158 . 1 1 26 26 TYR H H 1 7.78 0.02 . 1 . . . . . . . . 4370 1 159 . 1 1 26 26 TYR HA H 1 4.04 0.02 . 1 . . . . . . . . 4370 1 160 . 1 1 26 26 TYR HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4370 1 161 . 1 1 26 26 TYR HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4370 1 162 . 1 1 26 26 TYR HD1 H 1 7.03 0.02 . 1 . . . . . . . . 4370 1 163 . 1 1 26 26 TYR HD2 H 1 7.03 0.02 . 1 . . . . . . . . 4370 1 164 . 1 1 26 26 TYR HE1 H 1 6.44 0.02 . 1 . . . . . . . . 4370 1 165 . 1 1 26 26 TYR HE2 H 1 6.44 0.02 . 1 . . . . . . . . 4370 1 166 . 1 1 26 26 TYR N N 15 122.5 0.3 . 1 . . . . . . . . 4370 1 167 . 1 1 27 27 CYS H H 1 7.78 0.02 . 1 . . . . . . . . 4370 1 168 . 1 1 27 27 CYS HA H 1 3.78 0.02 . 1 . . . . . . . . 4370 1 169 . 1 1 27 27 CYS HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4370 1 170 . 1 1 27 27 CYS HB3 H 1 2.13 0.02 . 1 . . . . . . . . 4370 1 171 . 1 1 27 27 CYS N N 15 115.0 0.3 . 1 . . . . . . . . 4370 1 172 . 1 1 28 28 ASN H H 1 8.10 0.02 . 1 . . . . . . . . 4370 1 173 . 1 1 28 28 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 4370 1 174 . 1 1 28 28 ASN HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4370 1 175 . 1 1 28 28 ASN HB3 H 1 2.95 0.02 . 2 . . . . . . . . 4370 1 176 . 1 1 28 28 ASN HD21 H 1 7.60 0.02 . 2 . . . . . . . . 4370 1 177 . 1 1 28 28 ASN HD22 H 1 7.11 0.02 . 2 . . . . . . . . 4370 1 178 . 1 1 28 28 ASN N N 15 119.6 0.3 . 1 . . . . . . . . 4370 1 179 . 1 1 28 28 ASN ND2 N 15 109.1 0.3 . 1 . . . . . . . . 4370 1 180 . 1 1 29 29 GLN H H 1 7.60 0.02 . 1 . . . . . . . . 4370 1 181 . 1 1 29 29 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 4370 1 182 . 1 1 29 29 GLN HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4370 1 183 . 1 1 29 29 GLN HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4370 1 184 . 1 1 29 29 GLN HG2 H 1 2.46 0.02 . 2 . . . . . . . . 4370 1 185 . 1 1 29 29 GLN HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4370 1 186 . 1 1 29 29 GLN HE21 H 1 7.30 0.02 . 2 . . . . . . . . 4370 1 187 . 1 1 29 29 GLN HE22 H 1 6.85 0.02 . 2 . . . . . . . . 4370 1 188 . 1 1 29 29 GLN N N 15 116.0 0.3 . 1 . . . . . . . . 4370 1 189 . 1 1 29 29 GLN NE2 N 15 111.5 0.3 . 1 . . . . . . . . 4370 1 190 . 1 1 30 30 MET H H 1 8.62 0.02 . 1 . . . . . . . . 4370 1 191 . 1 1 30 30 MET HA H 1 4.12 0.02 . 1 . . . . . . . . 4370 1 192 . 1 1 30 30 MET HB2 H 1 0.93 0.02 . 2 . . . . . . . . 4370 1 193 . 1 1 30 30 MET HB3 H 1 0.86 0.02 . 2 . . . . . . . . 4370 1 194 . 1 1 30 30 MET HG2 H 1 1.39 0.02 . 2 . . . . . . . . 4370 1 195 . 1 1 30 30 MET HG3 H 1 0.95 0.02 . 2 . . . . . . . . 4370 1 196 . 1 1 30 30 MET HE1 H 1 1.44 0.02 . 1 . . . . . . . . 4370 1 197 . 1 1 30 30 MET HE2 H 1 1.44 0.02 . 1 . . . . . . . . 4370 1 198 . 1 1 30 30 MET HE3 H 1 1.44 0.02 . 1 . . . . . . . . 4370 1 199 . 1 1 30 30 MET N N 15 119.1 0.3 . 1 . . . . . . . . 4370 1 200 . 1 1 31 31 MET H H 1 8.66 0.02 . 1 . . . . . . . . 4370 1 201 . 1 1 31 31 MET HA H 1 4.33 0.02 . 1 . . . . . . . . 4370 1 202 . 1 1 31 31 MET HB2 H 1 1.71 0.02 . 2 . . . . . . . . 4370 1 203 . 1 1 31 31 MET HB3 H 1 1.42 0.02 . 2 . . . . . . . . 4370 1 204 . 1 1 31 31 MET HG2 H 1 2.34 0.02 . 2 . . . . . . . . 4370 1 205 . 1 1 31 31 MET HG3 H 1 0.53 0.02 . 2 . . . . . . . . 4370 1 206 . 1 1 31 31 MET HE1 H 1 2.17 0.02 . 1 . . . . . . . . 4370 1 207 . 1 1 31 31 MET HE2 H 1 2.17 0.02 . 1 . . . . . . . . 4370 1 208 . 1 1 31 31 MET HE3 H 1 2.17 0.02 . 1 . . . . . . . . 4370 1 209 . 1 1 31 31 MET N N 15 116.2 0.3 . 1 . . . . . . . . 4370 1 210 . 1 1 32 32 ARG H H 1 6.49 0.02 . 1 . . . . . . . . 4370 1 211 . 1 1 32 32 ARG HA H 1 4.49 0.02 . 1 . . . . . . . . 4370 1 212 . 1 1 32 32 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4370 1 213 . 1 1 32 32 ARG HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4370 1 214 . 1 1 32 32 ARG HG2 H 1 1.62 0.02 . 2 . . . . . . . . 4370 1 215 . 1 1 32 32 ARG HG3 H 1 1.42 0.02 . 2 . . . . . . . . 4370 1 216 . 1 1 32 32 ARG HD2 H 1 3.30 0.02 . 2 . . . . . . . . 4370 1 217 . 1 1 32 32 ARG HD3 H 1 3.24 0.02 . 2 . . . . . . . . 4370 1 218 . 1 1 32 32 ARG HE H 1 7.36 0.02 . 1 . . . . . . . . 4370 1 219 . 1 1 32 32 ARG NE N 15 85.0 0.3 . 5 . . . . . . . . 4370 1 220 . 1 1 32 32 ARG N N 15 116.0 0.3 . 1 . . . . . . . . 4370 1 221 . 1 1 33 33 ARG H H 1 8.57 0.02 . 1 . . . . . . . . 4370 1 222 . 1 1 33 33 ARG HA H 1 4.10 0.02 . 1 . . . . . . . . 4370 1 223 . 1 1 33 33 ARG HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4370 1 224 . 1 1 33 33 ARG HD2 H 1 3.18 0.02 . 5 . . . . . . . . 4370 1 225 . 1 1 33 33 ARG HD3 H 1 3.11 0.02 . 5 . . . . . . . . 4370 1 226 . 1 1 33 33 ARG HE H 1 7.24 0.02 . 1 . . . . . . . . 4370 1 227 . 1 1 33 33 ARG NE N 15 84.2 0.3 . 5 . . . . . . . . 4370 1 228 . 1 1 33 33 ARG N N 15 121.3 0.3 . 1 . . . . . . . . 4370 1 229 . 1 1 34 34 ARG H H 1 7.86 0.02 . 1 . . . . . . . . 4370 1 230 . 1 1 34 34 ARG HA H 1 4.44 0.02 . 1 . . . . . . . . 4370 1 231 . 1 1 34 34 ARG HB2 H 1 2.40 0.02 . 2 . . . . . . . . 4370 1 232 . 1 1 34 34 ARG HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4370 1 233 . 1 1 34 34 ARG HG2 H 1 1.89 0.02 . 2 . . . . . . . . 4370 1 234 . 1 1 34 34 ARG HG3 H 1 1.68 0.02 . 2 . . . . . . . . 4370 1 235 . 1 1 34 34 ARG HD2 H 1 3.46 0.02 . 2 . . . . . . . . 4370 1 236 . 1 1 34 34 ARG HD3 H 1 3.10 0.02 . 2 . . . . . . . . 4370 1 237 . 1 1 34 34 ARG HE H 1 7.55 0.02 . 1 . . . . . . . . 4370 1 238 . 1 1 34 34 ARG HH12 H 1 6.45 0.02 . 1 . . . . . . . . 4370 1 239 . 1 1 34 34 ARG NE N 15 83.9 0.3 . 1 . . . . . . . . 4370 1 240 . 1 1 34 34 ARG N N 15 113.5 0.3 . 1 . . . . . . . . 4370 1 241 . 1 1 35 35 ASN H H 1 7.85 0.02 . 1 . . . . . . . . 4370 1 242 . 1 1 35 35 ASN HA H 1 4.90 0.02 . 1 . . . . . . . . 4370 1 243 . 1 1 35 35 ASN HB2 H 1 3.19 0.02 . 2 . . . . . . . . 4370 1 244 . 1 1 35 35 ASN HB3 H 1 2.82 0.02 . 2 . . . . . . . . 4370 1 245 . 1 1 35 35 ASN HD21 H 1 7.37 0.02 . 2 . . . . . . . . 4370 1 246 . 1 1 35 35 ASN HD22 H 1 6.77 0.02 . 2 . . . . . . . . 4370 1 247 . 1 1 35 35 ASN N N 15 113.1 0.3 . 1 . . . . . . . . 4370 1 248 . 1 1 35 35 ASN ND2 N 15 110.1 0.3 . 1 . . . . . . . . 4370 1 249 . 1 1 36 36 MET H H 1 8.23 0.02 . 1 . . . . . . . . 4370 1 250 . 1 1 36 36 MET HA H 1 4.75 0.02 . 1 . . . . . . . . 4370 1 251 . 1 1 36 36 MET HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4370 1 252 . 1 1 36 36 MET HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4370 1 253 . 1 1 36 36 MET HG2 H 1 2.61 0.02 . 2 . . . . . . . . 4370 1 254 . 1 1 36 36 MET HG3 H 1 2.39 0.02 . 2 . . . . . . . . 4370 1 255 . 1 1 36 36 MET HE1 H 1 1.26 0.02 . 1 . . . . . . . . 4370 1 256 . 1 1 36 36 MET HE2 H 1 1.26 0.02 . 1 . . . . . . . . 4370 1 257 . 1 1 36 36 MET HE3 H 1 1.26 0.02 . 1 . . . . . . . . 4370 1 258 . 1 1 36 36 MET N N 15 114.8 0.3 . 1 . . . . . . . . 4370 1 259 . 1 1 37 37 THR H H 1 7.76 0.02 . 1 . . . . . . . . 4370 1 260 . 1 1 37 37 THR HA H 1 5.33 0.02 . 1 . . . . . . . . 4370 1 261 . 1 1 37 37 THR HB H 1 4.83 0.02 . 1 . . . . . . . . 4370 1 262 . 1 1 37 37 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 4370 1 263 . 1 1 37 37 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 4370 1 264 . 1 1 37 37 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 4370 1 265 . 1 1 37 37 THR N N 15 107.4 0.3 . 1 . . . . . . . . 4370 1 266 . 1 1 38 38 GLN H H 1 7.52 0.02 . 1 . . . . . . . . 4370 1 267 . 1 1 38 38 GLN HA H 1 4.55 0.02 . 1 . . . . . . . . 4370 1 268 . 1 1 38 38 GLN HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4370 1 269 . 1 1 38 38 GLN HG2 H 1 2.37 0.02 . 2 . . . . . . . . 4370 1 270 . 1 1 38 38 GLN HE21 H 1 7.68 0.02 . 2 . . . . . . . . 4370 1 271 . 1 1 38 38 GLN HE22 H 1 6.88 0.02 . 2 . . . . . . . . 4370 1 272 . 1 1 38 38 GLN N N 15 120.9 0.3 . 1 . . . . . . . . 4370 1 273 . 1 1 38 38 GLN NE2 N 15 112.7 0.3 . 1 . . . . . . . . 4370 1 274 . 1 1 39 39 GLY H H 1 8.12 0.02 . 1 . . . . . . . . 4370 1 275 . 1 1 39 39 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 4370 1 276 . 1 1 39 39 GLY HA3 H 1 3.00 0.02 . 2 . . . . . . . . 4370 1 277 . 1 1 39 39 GLY N N 15 117.2 0.3 . 1 . . . . . . . . 4370 1 278 . 1 1 40 40 ARG H H 1 7.22 0.02 . 1 . . . . . . . . 4370 1 279 . 1 1 40 40 ARG HA H 1 3.83 0.02 . 1 . . . . . . . . 4370 1 280 . 1 1 40 40 ARG HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4370 1 281 . 1 1 40 40 ARG HB3 H 1 1.56 0.02 . 2 . . . . . . . . 4370 1 282 . 1 1 40 40 ARG HG2 H 1 1.36 0.02 . 2 . . . . . . . . 4370 1 283 . 1 1 40 40 ARG HG3 H 1 1.21 0.02 . 2 . . . . . . . . 4370 1 284 . 1 1 40 40 ARG HD2 H 1 3.06 0.02 . 2 . . . . . . . . 4370 1 285 . 1 1 40 40 ARG HD3 H 1 3.01 0.02 . 2 . . . . . . . . 4370 1 286 . 1 1 40 40 ARG HE H 1 7.23 0.02 . 1 . . . . . . . . 4370 1 287 . 1 1 40 40 ARG NE N 15 84.1 0.3 . 1 . . . . . . . . 4370 1 288 . 1 1 40 40 ARG N N 15 115.4 0.3 . 1 . . . . . . . . 4370 1 289 . 1 1 41 41 CYS H H 1 8.89 0.02 . 1 . . . . . . . . 4370 1 290 . 1 1 41 41 CYS HA H 1 4.81 0.02 . 1 . . . . . . . . 4370 1 291 . 1 1 41 41 CYS HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4370 1 292 . 1 1 41 41 CYS HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4370 1 293 . 1 1 41 41 CYS N N 15 118.0 0.3 . 1 . . . . . . . . 4370 1 294 . 1 1 42 42 LYS H H 1 8.02 0.02 . 1 . . . . . . . . 4370 1 295 . 1 1 42 42 LYS HA H 1 4.48 0.02 . 1 . . . . . . . . 4370 1 296 . 1 1 42 42 LYS HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4370 1 297 . 1 1 42 42 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4370 1 298 . 1 1 42 42 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 4370 1 299 . 1 1 42 42 LYS HD2 H 1 1.63 0.02 . 2 . . . . . . . . 4370 1 300 . 1 1 42 42 LYS HE2 H 1 3.22 0.02 . 2 . . . . . . . . 4370 1 301 . 1 1 42 42 LYS HE3 H 1 2.95 0.02 . 2 . . . . . . . . 4370 1 302 . 1 1 42 42 LYS N N 15 129.6 0.3 . 1 . . . . . . . . 4370 1 303 . 1 1 43 43 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 4370 1 304 . 1 1 43 43 PRO HB2 H 1 2.41 0.02 . 2 . . . . . . . . 4370 1 305 . 1 1 43 43 PRO HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4370 1 306 . 1 1 43 43 PRO HG2 H 1 2.26 0.02 . 2 . . . . . . . . 4370 1 307 . 1 1 43 43 PRO HD2 H 1 4.09 0.02 . 2 . . . . . . . . 4370 1 308 . 1 1 43 43 PRO HD3 H 1 3.92 0.02 . 2 . . . . . . . . 4370 1 309 . 1 1 44 44 VAL H H 1 7.16 0.02 . 1 . . . . . . . . 4370 1 310 . 1 1 44 44 VAL HA H 1 5.24 0.02 . 1 . . . . . . . . 4370 1 311 . 1 1 44 44 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4370 1 312 . 1 1 44 44 VAL HG11 H 1 0.98 0.02 . 2 . . . . . . . . 4370 1 313 . 1 1 44 44 VAL HG12 H 1 0.98 0.02 . 2 . . . . . . . . 4370 1 314 . 1 1 44 44 VAL HG13 H 1 0.98 0.02 . 2 . . . . . . . . 4370 1 315 . 1 1 44 44 VAL HG21 H 1 0.96 0.02 . 2 . . . . . . . . 4370 1 316 . 1 1 44 44 VAL HG22 H 1 0.96 0.02 . 2 . . . . . . . . 4370 1 317 . 1 1 44 44 VAL HG23 H 1 0.96 0.02 . 2 . . . . . . . . 4370 1 318 . 1 1 44 44 VAL N N 15 112.9 0.3 . 1 . . . . . . . . 4370 1 319 . 1 1 45 45 ASN H H 1 8.61 0.02 . 1 . . . . . . . . 4370 1 320 . 1 1 45 45 ASN HA H 1 4.84 0.02 . 1 . . . . . . . . 4370 1 321 . 1 1 45 45 ASN HB2 H 1 2.86 0.02 . 1 . . . . . . . . 4370 1 322 . 1 1 45 45 ASN N N 15 120.7 0.3 . 1 . . . . . . . . 4370 1 323 . 1 1 46 46 THR H H 1 7.45 0.02 . 1 . . . . . . . . 4370 1 324 . 1 1 46 46 THR HA H 1 5.09 0.02 . 1 . . . . . . . . 4370 1 325 . 1 1 46 46 THR HB H 1 2.08 0.02 . 1 . . . . . . . . 4370 1 326 . 1 1 46 46 THR HG21 H 1 0.72 0.02 . 1 . . . . . . . . 4370 1 327 . 1 1 46 46 THR HG22 H 1 0.72 0.02 . 1 . . . . . . . . 4370 1 328 . 1 1 46 46 THR HG23 H 1 0.72 0.02 . 1 . . . . . . . . 4370 1 329 . 1 1 46 46 THR N N 15 121.6 0.3 . 1 . . . . . . . . 4370 1 330 . 1 1 47 47 PHE H H 1 9.24 0.02 . 1 . . . . . . . . 4370 1 331 . 1 1 47 47 PHE HA H 1 4.94 0.02 . 1 . . . . . . . . 4370 1 332 . 1 1 47 47 PHE HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4370 1 333 . 1 1 47 47 PHE HB3 H 1 2.61 0.02 . 2 . . . . . . . . 4370 1 334 . 1 1 47 47 PHE HD1 H 1 6.86 0.02 . 1 . . . . . . . . 4370 1 335 . 1 1 47 47 PHE HD2 H 1 6.86 0.02 . 1 . . . . . . . . 4370 1 336 . 1 1 47 47 PHE HE1 H 1 6.93 0.02 . 1 . . . . . . . . 4370 1 337 . 1 1 47 47 PHE HE2 H 1 6.93 0.02 . 1 . . . . . . . . 4370 1 338 . 1 1 47 47 PHE HZ H 1 6.53 0.02 . 1 . . . . . . . . 4370 1 339 . 1 1 47 47 PHE N N 15 125.1 0.3 . 1 . . . . . . . . 4370 1 340 . 1 1 48 48 VAL H H 1 9.25 0.02 . 1 . . . . . . . . 4370 1 341 . 1 1 48 48 VAL HA H 1 4.21 0.02 . 1 . . . . . . . . 4370 1 342 . 1 1 48 48 VAL HB H 1 2.48 0.02 . 1 . . . . . . . . 4370 1 343 . 1 1 48 48 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 4370 1 344 . 1 1 48 48 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4370 1 345 . 1 1 48 48 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 4370 1 346 . 1 1 48 48 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4370 1 347 . 1 1 48 48 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4370 1 348 . 1 1 48 48 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4370 1 349 . 1 1 48 48 VAL N N 15 119.8 0.3 . 1 . . . . . . . . 4370 1 350 . 1 1 49 49 HIS H H 1 8.97 0.02 . 1 . . . . . . . . 4370 1 351 . 1 1 49 49 HIS HA H 1 5.32 0.02 . 1 . . . . . . . . 4370 1 352 . 1 1 49 49 HIS HB2 H 1 3.16 0.02 . 2 . . . . . . . . 4370 1 353 . 1 1 49 49 HIS HB3 H 1 3.05 0.02 . 2 . . . . . . . . 4370 1 354 . 1 1 49 49 HIS HD2 H 1 6.52 0.02 . 1 . . . . . . . . 4370 1 355 . 1 1 49 49 HIS HE1 H 1 8.02 0.02 . 1 . . . . . . . . 4370 1 356 . 1 1 49 49 HIS N N 15 129.2 0.3 . 1 . . . . . . . . 4370 1 357 . 1 1 50 50 GLU H H 1 6.68 0.02 . 1 . . . . . . . . 4370 1 358 . 1 1 50 50 GLU HA H 1 5.24 0.02 . 1 . . . . . . . . 4370 1 359 . 1 1 50 50 GLU HB2 H 1 2.36 0.02 . 2 . . . . . . . . 4370 1 360 . 1 1 50 50 GLU HB3 H 1 1.21 0.02 . 2 . . . . . . . . 4370 1 361 . 1 1 50 50 GLU HG2 H 1 2.68 0.02 . 2 . . . . . . . . 4370 1 362 . 1 1 50 50 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . 4370 1 363 . 1 1 50 50 GLU N N 15 116.6 0.3 . 1 . . . . . . . . 4370 1 364 . 1 1 51 51 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 4370 1 365 . 1 1 51 51 PRO HB2 H 1 2.52 0.02 . 2 . . . . . . . . 4370 1 366 . 1 1 51 51 PRO HB3 H 1 2.11 0.02 . 4 . . . . . . . . 4370 1 367 . 1 1 51 51 PRO HG2 H 1 2.36 0.02 . 4 . . . . . . . . 4370 1 368 . 1 1 51 51 PRO HD2 H 1 4.07 0.02 . 2 . . . . . . . . 4370 1 369 . 1 1 51 51 PRO HD3 H 1 3.88 0.02 . 2 . . . . . . . . 4370 1 370 . 1 1 52 52 LEU H H 1 8.77 0.02 . 1 . . . . . . . . 4370 1 371 . 1 1 52 52 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 4370 1 372 . 1 1 52 52 LEU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4370 1 373 . 1 1 52 52 LEU HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4370 1 374 . 1 1 52 52 LEU HG H 1 1.42 0.02 . 1 . . . . . . . . 4370 1 375 . 1 1 52 52 LEU HD11 H 1 1.13 0.02 . 2 . . . . . . . . 4370 1 376 . 1 1 52 52 LEU HD12 H 1 1.13 0.02 . 2 . . . . . . . . 4370 1 377 . 1 1 52 52 LEU HD13 H 1 1.13 0.02 . 2 . . . . . . . . 4370 1 378 . 1 1 52 52 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 4370 1 379 . 1 1 52 52 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 4370 1 380 . 1 1 52 52 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 4370 1 381 . 1 1 52 52 LEU N N 15 125.7 0.3 . 1 . . . . . . . . 4370 1 382 . 1 1 53 53 VAL H H 1 8.59 0.02 . 1 . . . . . . . . 4370 1 383 . 1 1 53 53 VAL HA H 1 4.06 0.02 . 1 . . . . . . . . 4370 1 384 . 1 1 53 53 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 4370 1 385 . 1 1 53 53 VAL HG11 H 1 1.06 0.02 . 2 . . . . . . . . 4370 1 386 . 1 1 53 53 VAL HG12 H 1 1.06 0.02 . 2 . . . . . . . . 4370 1 387 . 1 1 53 53 VAL HG13 H 1 1.06 0.02 . 2 . . . . . . . . 4370 1 388 . 1 1 53 53 VAL HG21 H 1 1.00 0.02 . 2 . . . . . . . . 4370 1 389 . 1 1 53 53 VAL HG22 H 1 1.00 0.02 . 2 . . . . . . . . 4370 1 390 . 1 1 53 53 VAL HG23 H 1 1.00 0.02 . 2 . . . . . . . . 4370 1 391 . 1 1 53 53 VAL N N 15 115.3 0.3 . 1 . . . . . . . . 4370 1 392 . 1 1 54 54 ASP H H 1 6.95 0.02 . 1 . . . . . . . . 4370 1 393 . 1 1 54 54 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 4370 1 394 . 1 1 54 54 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4370 1 395 . 1 1 54 54 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4370 1 396 . 1 1 54 54 ASP N N 15 119.8 0.3 . 1 . . . . . . . . 4370 1 397 . 1 1 55 55 VAL H H 1 7.51 0.02 . 1 . . . . . . . . 4370 1 398 . 1 1 55 55 VAL HA H 1 3.63 0.02 . 1 . . . . . . . . 4370 1 399 . 1 1 55 55 VAL HB H 1 2.25 0.02 . 1 . . . . . . . . 4370 1 400 . 1 1 55 55 VAL HG11 H 1 1.11 0.02 . 2 . . . . . . . . 4370 1 401 . 1 1 55 55 VAL HG12 H 1 1.11 0.02 . 2 . . . . . . . . 4370 1 402 . 1 1 55 55 VAL HG13 H 1 1.11 0.02 . 2 . . . . . . . . 4370 1 403 . 1 1 55 55 VAL HG21 H 1 1.01 0.02 . 2 . . . . . . . . 4370 1 404 . 1 1 55 55 VAL HG22 H 1 1.01 0.02 . 2 . . . . . . . . 4370 1 405 . 1 1 55 55 VAL HG23 H 1 1.01 0.02 . 2 . . . . . . . . 4370 1 406 . 1 1 55 55 VAL N N 15 120.2 0.3 . 1 . . . . . . . . 4370 1 407 . 1 1 56 56 GLN H H 1 8.92 0.02 . 1 . . . . . . . . 4370 1 408 . 1 1 56 56 GLN HA H 1 3.63 0.02 . 1 . . . . . . . . 4370 1 409 . 1 1 56 56 GLN HB2 H 1 2.37 0.02 . 2 . . . . . . . . 4370 1 410 . 1 1 56 56 GLN HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4370 1 411 . 1 1 56 56 GLN HG2 H 1 2.62 0.02 . 2 . . . . . . . . 4370 1 412 . 1 1 56 56 GLN HG3 H 1 2.02 0.02 . 2 . . . . . . . . 4370 1 413 . 1 1 56 56 GLN HE21 H 1 7.92 0.02 . 2 . . . . . . . . 4370 1 414 . 1 1 56 56 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 4370 1 415 . 1 1 56 56 GLN N N 15 117.7 0.3 . 1 . . . . . . . . 4370 1 416 . 1 1 56 56 GLN NE2 N 15 110.9 0.3 . 1 . . . . . . . . 4370 1 417 . 1 1 57 57 ASN H H 1 8.03 0.02 . 1 . . . . . . . . 4370 1 418 . 1 1 57 57 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 4370 1 419 . 1 1 57 57 ASN HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4370 1 420 . 1 1 57 57 ASN HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4370 1 421 . 1 1 57 57 ASN HD21 H 1 7.78 0.02 . 2 . . . . . . . . 4370 1 422 . 1 1 57 57 ASN HD22 H 1 6.89 0.02 . 2 . . . . . . . . 4370 1 423 . 1 1 57 57 ASN N N 15 115.6 0.3 . 1 . . . . . . . . 4370 1 424 . 1 1 57 57 ASN ND2 N 15 110.9 0.3 . 1 . . . . . . . . 4370 1 425 . 1 1 58 58 VAL H H 1 7.66 0.02 . 1 . . . . . . . . 4370 1 426 . 1 1 58 58 VAL HA H 1 3.18 0.02 . 1 . . . . . . . . 4370 1 427 . 1 1 58 58 VAL HB H 1 2.14 0.02 . 1 . . . . . . . . 4370 1 428 . 1 1 58 58 VAL HG11 H 1 1.12 0.02 . 2 . . . . . . . . 4370 1 429 . 1 1 58 58 VAL HG12 H 1 1.12 0.02 . 2 . . . . . . . . 4370 1 430 . 1 1 58 58 VAL HG13 H 1 1.12 0.02 . 2 . . . . . . . . 4370 1 431 . 1 1 58 58 VAL HG21 H 1 0.73 0.02 . 2 . . . . . . . . 4370 1 432 . 1 1 58 58 VAL HG22 H 1 0.73 0.02 . 2 . . . . . . . . 4370 1 433 . 1 1 58 58 VAL HG23 H 1 0.73 0.02 . 2 . . . . . . . . 4370 1 434 . 1 1 58 58 VAL N N 15 122.9 0.3 . 1 . . . . . . . . 4370 1 435 . 1 1 59 59 CYS H H 1 6.74 0.02 . 1 . . . . . . . . 4370 1 436 . 1 1 59 59 CYS HA H 1 3.28 0.02 . 1 . . . . . . . . 4370 1 437 . 1 1 59 59 CYS HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4370 1 438 . 1 1 59 59 CYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4370 1 439 . 1 1 59 59 CYS N N 15 111.9 0.3 . 1 . . . . . . . . 4370 1 440 . 1 1 60 60 PHE H H 1 7.22 0.02 . 1 . . . . . . . . 4370 1 441 . 1 1 60 60 PHE HA H 1 4.61 0.02 . 1 . . . . . . . . 4370 1 442 . 1 1 60 60 PHE HB2 H 1 3.59 0.02 . 2 . . . . . . . . 4370 1 443 . 1 1 60 60 PHE HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4370 1 444 . 1 1 60 60 PHE HD1 H 1 7.22 0.02 . 1 . . . . . . . . 4370 1 445 . 1 1 60 60 PHE HD2 H 1 7.22 0.02 . 1 . . . . . . . . 4370 1 446 . 1 1 60 60 PHE HE1 H 1 7.38 0.02 . 1 . . . . . . . . 4370 1 447 . 1 1 60 60 PHE HE2 H 1 7.38 0.02 . 1 . . . . . . . . 4370 1 448 . 1 1 60 60 PHE HZ H 1 7.46 0.02 . 1 . . . . . . . . 4370 1 449 . 1 1 60 60 PHE N N 15 115.1 0.3 . 1 . . . . . . . . 4370 1 450 . 1 1 61 61 GLN H H 1 7.74 0.02 . 1 . . . . . . . . 4370 1 451 . 1 1 61 61 GLN HA H 1 4.67 0.02 . 1 . . . . . . . . 4370 1 452 . 1 1 61 61 GLN HB2 H 1 2.41 0.02 . 2 . . . . . . . . 4370 1 453 . 1 1 61 61 GLN HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4370 1 454 . 1 1 61 61 GLN HG2 H 1 2.89 0.02 . 2 . . . . . . . . 4370 1 455 . 1 1 61 61 GLN HG3 H 1 2.74 0.02 . 2 . . . . . . . . 4370 1 456 . 1 1 61 61 GLN HE21 H 1 7.26 0.02 . 2 . . . . . . . . 4370 1 457 . 1 1 61 61 GLN HE22 H 1 7.09 0.02 . 2 . . . . . . . . 4370 1 458 . 1 1 61 61 GLN N N 15 123.7 0.3 . 1 . . . . . . . . 4370 1 459 . 1 1 61 61 GLN NE2 N 15 110.9 0.3 . 1 . . . . . . . . 4370 1 460 . 1 1 62 62 GLU H H 1 7.53 0.02 . 1 . . . . . . . . 4370 1 461 . 1 1 62 62 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 4370 1 462 . 1 1 62 62 GLU HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4370 1 463 . 1 1 62 62 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4370 1 464 . 1 1 62 62 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . 4370 1 465 . 1 1 62 62 GLU HG3 H 1 2.31 0.02 . 1 . . . . . . . . 4370 1 466 . 1 1 62 62 GLU N N 15 121.9 0.3 . 1 . . . . . . . . 4370 1 467 . 1 1 63 63 LYS H H 1 8.62 0.02 . 1 . . . . . . . . 4370 1 468 . 1 1 63 63 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 4370 1 469 . 1 1 63 63 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4370 1 470 . 1 1 63 63 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4370 1 471 . 1 1 63 63 LYS HG2 H 1 1.21 0.02 . 2 . . . . . . . . 4370 1 472 . 1 1 63 63 LYS HE2 H 1 3.00 0.02 . 2 . . . . . . . . 4370 1 473 . 1 1 63 63 LYS HE3 H 1 2.96 0.02 . 2 . . . . . . . . 4370 1 474 . 1 1 63 63 LYS N N 15 130.0 0.3 . 1 . . . . . . . . 4370 1 475 . 1 1 64 64 VAL H H 1 8.36 0.02 . 1 . . . . . . . . 4370 1 476 . 1 1 64 64 VAL HA H 1 4.58 0.02 . 1 . . . . . . . . 4370 1 477 . 1 1 64 64 VAL HB H 1 2.13 0.02 . 1 . . . . . . . . 4370 1 478 . 1 1 64 64 VAL HG11 H 1 0.74 0.02 . 2 . . . . . . . . 4370 1 479 . 1 1 64 64 VAL HG12 H 1 0.74 0.02 . 2 . . . . . . . . 4370 1 480 . 1 1 64 64 VAL HG13 H 1 0.74 0.02 . 2 . . . . . . . . 4370 1 481 . 1 1 64 64 VAL HG21 H 1 0.42 0.02 . 2 . . . . . . . . 4370 1 482 . 1 1 64 64 VAL HG22 H 1 0.42 0.02 . 2 . . . . . . . . 4370 1 483 . 1 1 64 64 VAL HG23 H 1 0.42 0.02 . 2 . . . . . . . . 4370 1 484 . 1 1 64 64 VAL N N 15 121.5 0.3 . 1 . . . . . . . . 4370 1 485 . 1 1 65 65 THR H H 1 8.13 0.02 . 1 . . . . . . . . 4370 1 486 . 1 1 65 65 THR HA H 1 4.15 0.02 . 1 . . . . . . . . 4370 1 487 . 1 1 65 65 THR HB H 1 3.88 0.02 . 1 . . . . . . . . 4370 1 488 . 1 1 65 65 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 4370 1 489 . 1 1 65 65 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 4370 1 490 . 1 1 65 65 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 4370 1 491 . 1 1 65 65 THR N N 15 117.2 0.3 . 1 . . . . . . . . 4370 1 492 . 1 1 66 66 CYS H H 1 8.90 0.02 . 1 . . . . . . . . 4370 1 493 . 1 1 66 66 CYS HA H 1 4.40 0.02 . 1 . . . . . . . . 4370 1 494 . 1 1 66 66 CYS HB2 H 1 3.19 0.02 . 2 . . . . . . . . 4370 1 495 . 1 1 66 66 CYS HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4370 1 496 . 1 1 66 66 CYS N N 15 124.7 0.3 . 1 . . . . . . . . 4370 1 497 . 1 1 67 67 LYS H H 1 11.20 0.02 . 1 . . . . . . . . 4370 1 498 . 1 1 67 67 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 4370 1 499 . 1 1 67 67 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4370 1 500 . 1 1 67 67 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4370 1 501 . 1 1 67 67 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 4370 1 502 . 1 1 67 67 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 4370 1 503 . 1 1 67 67 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 4370 1 504 . 1 1 67 67 LYS N N 15 128.1 0.3 . 1 . . . . . . . . 4370 1 505 . 1 1 68 68 ASN H H 1 8.85 0.02 . 1 . . . . . . . . 4370 1 506 . 1 1 68 68 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 4370 1 507 . 1 1 68 68 ASN HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4370 1 508 . 1 1 68 68 ASN HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4370 1 509 . 1 1 68 68 ASN HD21 H 1 7.47 0.02 . 2 . . . . . . . . 4370 1 510 . 1 1 68 68 ASN HD22 H 1 6.68 0.02 . 2 . . . . . . . . 4370 1 511 . 1 1 68 68 ASN N N 15 116.2 0.3 . 1 . . . . . . . . 4370 1 512 . 1 1 68 68 ASN ND2 N 15 110.5 0.3 . 1 . . . . . . . . 4370 1 513 . 1 1 69 69 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4370 1 514 . 1 1 69 69 GLY HA2 H 1 4.06 0.02 . 2 . . . . . . . . 4370 1 515 . 1 1 69 69 GLY HA3 H 1 3.58 0.02 . 2 . . . . . . . . 4370 1 516 . 1 1 69 69 GLY N N 15 107.2 0.3 . 1 . . . . . . . . 4370 1 517 . 1 1 70 70 GLN H H 1 7.89 0.02 . 1 . . . . . . . . 4370 1 518 . 1 1 70 70 GLN HA H 1 4.45 0.02 . 1 . . . . . . . . 4370 1 519 . 1 1 70 70 GLN HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4370 1 520 . 1 1 70 70 GLN HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4370 1 521 . 1 1 70 70 GLN HG2 H 1 2.66 0.02 . 2 . . . . . . . . 4370 1 522 . 1 1 70 70 GLN HG3 H 1 2.23 0.02 . 2 . . . . . . . . 4370 1 523 . 1 1 70 70 GLN HE21 H 1 7.68 0.02 . 1 . . . . . . . . 4370 1 524 . 1 1 70 70 GLN HE22 H 1 6.89 0.02 . 1 . . . . . . . . 4370 1 525 . 1 1 70 70 GLN N N 15 118.6 0.3 . 1 . . . . . . . . 4370 1 526 . 1 1 70 70 GLN NE2 N 15 112.5 0.3 . 1 . . . . . . . . 4370 1 527 . 1 1 71 71 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 4370 1 528 . 1 1 71 71 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 4370 1 529 . 1 1 71 71 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 4370 1 530 . 1 1 71 71 GLY N N 15 107.7 0.3 . 1 . . . . . . . . 4370 1 531 . 1 1 72 72 ASN H H 1 8.92 0.02 . 1 . . . . . . . . 4370 1 532 . 1 1 72 72 ASN HA H 1 5.00 0.02 . 1 . . . . . . . . 4370 1 533 . 1 1 72 72 ASN HB2 H 1 3.28 0.02 . 2 . . . . . . . . 4370 1 534 . 1 1 72 72 ASN HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4370 1 535 . 1 1 72 72 ASN HD21 H 1 7.79 0.02 . 2 . . . . . . . . 4370 1 536 . 1 1 72 72 ASN HD22 H 1 7.08 0.02 . 2 . . . . . . . . 4370 1 537 . 1 1 72 72 ASN N N 15 119.3 0.3 . 1 . . . . . . . . 4370 1 538 . 1 1 72 72 ASN ND2 N 15 114.4 0.3 . 1 . . . . . . . . 4370 1 539 . 1 1 73 73 CYS H H 1 7.94 0.02 . 1 . . . . . . . . 4370 1 540 . 1 1 73 73 CYS HA H 1 5.57 0.02 . 1 . . . . . . . . 4370 1 541 . 1 1 73 73 CYS HB2 H 1 2.59 0.02 . 2 . . . . . . . . 4370 1 542 . 1 1 73 73 CYS HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4370 1 543 . 1 1 73 73 CYS N N 15 118.8 0.3 . 1 . . . . . . . . 4370 1 544 . 1 1 74 74 TYR H H 1 8.62 0.02 . 1 . . . . . . . . 4370 1 545 . 1 1 74 74 TYR HA H 1 5.09 0.02 . 1 . . . . . . . . 4370 1 546 . 1 1 74 74 TYR HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4370 1 547 . 1 1 74 74 TYR HB3 H 1 2.07 0.02 . 2 . . . . . . . . 4370 1 548 . 1 1 74 74 TYR HD1 H 1 6.64 0.02 . 1 . . . . . . . . 4370 1 549 . 1 1 74 74 TYR HD2 H 1 6.64 0.02 . 1 . . . . . . . . 4370 1 550 . 1 1 74 74 TYR HE1 H 1 6.73 0.02 . 1 . . . . . . . . 4370 1 551 . 1 1 74 74 TYR HE2 H 1 6.73 0.02 . 1 . . . . . . . . 4370 1 552 . 1 1 74 74 TYR N N 15 118.0 0.3 . 1 . . . . . . . . 4370 1 553 . 1 1 75 75 LYS H H 1 9.49 0.02 . 1 . . . . . . . . 4370 1 554 . 1 1 75 75 LYS HA H 1 5.28 0.02 . 1 . . . . . . . . 4370 1 555 . 1 1 75 75 LYS HB2 H 1 1.66 0.02 . 2 . . . . . . . . 4370 1 556 . 1 1 75 75 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 4370 1 557 . 1 1 75 75 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 4370 1 558 . 1 1 75 75 LYS HG3 H 1 1.12 0.02 . 2 . . . . . . . . 4370 1 559 . 1 1 75 75 LYS N N 15 123.3 0.3 . 1 . . . . . . . . 4370 1 560 . 1 1 76 76 SER H H 1 9.40 0.02 . 1 . . . . . . . . 4370 1 561 . 1 1 76 76 SER HA H 1 4.68 0.02 . 1 . . . . . . . . 4370 1 562 . 1 1 76 76 SER HB2 H 1 4.05 0.02 . 1 . . . . . . . . 4370 1 563 . 1 1 76 76 SER HB3 H 1 4.05 0.02 . 1 . . . . . . . . 4370 1 564 . 1 1 76 76 SER HG H 1 5.58 0.02 . 1 . . . . . . . . 4370 1 565 . 1 1 76 76 SER N N 15 121.9 0.3 . 1 . . . . . . . . 4370 1 566 . 1 1 77 77 ASN H H 1 9.27 0.02 . 1 . . . . . . . . 4370 1 567 . 1 1 77 77 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 4370 1 568 . 1 1 77 77 ASN HB2 H 1 2.97 0.02 . 2 . . . . . . . . 4370 1 569 . 1 1 77 77 ASN HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4370 1 570 . 1 1 77 77 ASN HD21 H 1 7.86 0.02 . 1 . . . . . . . . 4370 1 571 . 1 1 77 77 ASN HD22 H 1 7.20 0.02 . 1 . . . . . . . . 4370 1 572 . 1 1 77 77 ASN N N 15 125.5 0.3 . 1 . . . . . . . . 4370 1 573 . 1 1 77 77 ASN ND2 N 15 111.1 0.3 . 1 . . . . . . . . 4370 1 574 . 1 1 78 78 SER H H 1 8.72 0.02 . 1 . . . . . . . . 4370 1 575 . 1 1 78 78 SER HA H 1 4.73 0.02 . 1 . . . . . . . . 4370 1 576 . 1 1 78 78 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 4370 1 577 . 1 1 78 78 SER HB3 H 1 3.68 0.02 . 2 . . . . . . . . 4370 1 578 . 1 1 78 78 SER N N 15 112.9 0.3 . 1 . . . . . . . . 4370 1 579 . 1 1 79 79 SER H H 1 8.51 0.02 . 1 . . . . . . . . 4370 1 580 . 1 1 79 79 SER HA H 1 3.27 0.02 . 1 . . . . . . . . 4370 1 581 . 1 1 79 79 SER HB2 H 1 3.36 0.02 . 1 . . . . . . . . 4370 1 582 . 1 1 79 79 SER HB3 H 1 3.36 0.02 . 1 . . . . . . . . 4370 1 583 . 1 1 79 79 SER N N 15 119.0 0.3 . 1 . . . . . . . . 4370 1 584 . 1 1 80 80 MET H H 1 8.36 0.02 . 1 . . . . . . . . 4370 1 585 . 1 1 80 80 MET HA H 1 4.55 0.02 . 1 . . . . . . . . 4370 1 586 . 1 1 80 80 MET HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4370 1 587 . 1 1 80 80 MET HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4370 1 588 . 1 1 80 80 MET HG2 H 1 2.71 0.02 . 2 . . . . . . . . 4370 1 589 . 1 1 80 80 MET HG3 H 1 2.36 0.02 . 2 . . . . . . . . 4370 1 590 . 1 1 80 80 MET HE1 H 1 1.97 0.02 . 1 . . . . . . . . 4370 1 591 . 1 1 80 80 MET HE2 H 1 1.97 0.02 . 1 . . . . . . . . 4370 1 592 . 1 1 80 80 MET HE3 H 1 1.97 0.02 . 1 . . . . . . . . 4370 1 593 . 1 1 80 80 MET N N 15 124.1 0.3 . 1 . . . . . . . . 4370 1 594 . 1 1 81 81 HIS H H 1 10.09 0.02 . 1 . . . . . . . . 4370 1 595 . 1 1 81 81 HIS HA H 1 4.67 0.02 . 1 . . . . . . . . 4370 1 596 . 1 1 81 81 HIS HB2 H 1 3.45 0.02 . 2 . . . . . . . . 4370 1 597 . 1 1 81 81 HIS HB3 H 1 3.43 0.02 . 2 . . . . . . . . 4370 1 598 . 1 1 81 81 HIS HD2 H 1 7.44 0.02 . 1 . . . . . . . . 4370 1 599 . 1 1 81 81 HIS HE1 H 1 8.57 0.02 . 1 . . . . . . . . 4370 1 600 . 1 1 81 81 HIS N N 15 120.2 0.3 . 1 . . . . . . . . 4370 1 601 . 1 1 82 82 ILE H H 1 9.05 0.02 . 1 . . . . . . . . 4370 1 602 . 1 1 82 82 ILE HA H 1 5.43 0.02 . 1 . . . . . . . . 4370 1 603 . 1 1 82 82 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 4370 1 604 . 1 1 82 82 ILE HG12 H 1 1.20 0.02 . 1 . . . . . . . . 4370 1 605 . 1 1 82 82 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4370 1 606 . 1 1 82 82 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4370 1 607 . 1 1 82 82 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4370 1 608 . 1 1 82 82 ILE N N 15 118.8 0.3 . 1 . . . . . . . . 4370 1 609 . 1 1 83 83 THR H H 1 9.32 0.02 . 1 . . . . . . . . 4370 1 610 . 1 1 83 83 THR HA H 1 4.61 0.02 . 1 . . . . . . . . 4370 1 611 . 1 1 83 83 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 4370 1 612 . 1 1 83 83 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 4370 1 613 . 1 1 83 83 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 4370 1 614 . 1 1 83 83 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 4370 1 615 . 1 1 83 83 THR N N 15 118.2 0.3 . 1 . . . . . . . . 4370 1 616 . 1 1 84 84 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 4370 1 617 . 1 1 84 84 ASP HA H 1 5.10 0.02 . 1 . . . . . . . . 4370 1 618 . 1 1 84 84 ASP HB2 H 1 2.61 0.02 . 2 . . . . . . . . 4370 1 619 . 1 1 84 84 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4370 1 620 . 1 1 84 84 ASP N N 15 126.7 0.3 . 1 . . . . . . . . 4370 1 621 . 1 1 85 85 CYS H H 1 8.94 0.02 . 1 . . . . . . . . 4370 1 622 . 1 1 85 85 CYS HA H 1 5.98 0.02 . 1 . . . . . . . . 4370 1 623 . 1 1 85 85 CYS HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4370 1 624 . 1 1 85 85 CYS HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4370 1 625 . 1 1 85 85 CYS N N 15 121.3 0.3 . 1 . . . . . . . . 4370 1 626 . 1 1 86 86 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 4370 1 627 . 1 1 86 86 ARG HA H 1 5.31 0.02 . 1 . . . . . . . . 4370 1 628 . 1 1 86 86 ARG HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4370 1 629 . 1 1 86 86 ARG HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4370 1 630 . 1 1 86 86 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 4370 1 631 . 1 1 86 86 ARG HG3 H 1 1.69 0.02 . 2 . . . . . . . . 4370 1 632 . 1 1 86 86 ARG HD2 H 1 3.31 0.02 . 2 . . . . . . . . 4370 1 633 . 1 1 86 86 ARG HD3 H 1 3.25 0.02 . 2 . . . . . . . . 4370 1 634 . 1 1 86 86 ARG HE H 1 7.61 0.02 . 1 . . . . . . . . 4370 1 635 . 1 1 86 86 ARG NE N 15 84.5 0.3 . 1 . . . . . . . . 4370 1 636 . 1 1 86 86 ARG N N 15 122.5 0.3 . 1 . . . . . . . . 4370 1 637 . 1 1 87 87 LEU H H 1 8.79 0.02 . 1 . . . . . . . . 4370 1 638 . 1 1 87 87 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . 4370 1 639 . 1 1 87 87 LEU HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4370 1 640 . 1 1 87 87 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . 4370 1 641 . 1 1 87 87 LEU HD11 H 1 0.68 0.02 . 2 . . . . . . . . 4370 1 642 . 1 1 87 87 LEU HD12 H 1 0.68 0.02 . 2 . . . . . . . . 4370 1 643 . 1 1 87 87 LEU HD13 H 1 0.68 0.02 . 2 . . . . . . . . 4370 1 644 . 1 1 87 87 LEU HD21 H 1 0.53 0.02 . 2 . . . . . . . . 4370 1 645 . 1 1 87 87 LEU HD22 H 1 0.53 0.02 . 2 . . . . . . . . 4370 1 646 . 1 1 87 87 LEU HD23 H 1 0.53 0.02 . 2 . . . . . . . . 4370 1 647 . 1 1 87 87 LEU N N 15 130.2 0.3 . 1 . . . . . . . . 4370 1 648 . 1 1 88 88 THR H H 1 8.89 0.02 . 1 . . . . . . . . 4370 1 649 . 1 1 88 88 THR HA H 1 4.28 0.02 . 1 . . . . . . . . 4370 1 650 . 1 1 88 88 THR HB H 1 4.28 0.02 . 1 . . . . . . . . 4370 1 651 . 1 1 88 88 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 4370 1 652 . 1 1 88 88 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 4370 1 653 . 1 1 88 88 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 4370 1 654 . 1 1 88 88 THR N N 15 120.2 0.3 . 1 . . . . . . . . 4370 1 655 . 1 1 89 89 ASN H H 1 8.89 0.02 . 1 . . . . . . . . 4370 1 656 . 1 1 89 89 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 4370 1 657 . 1 1 89 89 ASN HB2 H 1 2.82 0.02 . 1 . . . . . . . . 4370 1 658 . 1 1 89 89 ASN HB3 H 1 2.82 0.02 . 1 . . . . . . . . 4370 1 659 . 1 1 89 89 ASN HD21 H 1 7.74 0.02 . 2 . . . . . . . . 4370 1 660 . 1 1 89 89 ASN HD22 H 1 7.03 0.02 . 2 . . . . . . . . 4370 1 661 . 1 1 89 89 ASN N N 15 121.9 0.3 . 1 . . . . . . . . 4370 1 662 . 1 1 89 89 ASN ND2 N 15 113.1 0.3 . 1 . . . . . . . . 4370 1 663 . 1 1 90 90 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 4370 1 664 . 1 1 90 90 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 4370 1 665 . 1 1 90 90 GLY HA3 H 1 3.86 0.02 . 2 . . . . . . . . 4370 1 666 . 1 1 90 90 GLY N N 15 110.1 0.3 . 1 . . . . . . . . 4370 1 667 . 1 1 91 91 SER H H 1 7.53 0.02 . 1 . . . . . . . . 4370 1 668 . 1 1 91 91 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4370 1 669 . 1 1 91 91 SER HB2 H 1 3.95 0.02 . 2 . . . . . . . . 4370 1 670 . 1 1 91 91 SER HB3 H 1 3.91 0.02 . 2 . . . . . . . . 4370 1 671 . 1 1 91 91 SER N N 15 116.4 0.3 . 1 . . . . . . . . 4370 1 672 . 1 1 92 92 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 4370 1 673 . 1 1 92 92 ARG HA H 1 4.50 0.02 . 1 . . . . . . . . 4370 1 674 . 1 1 92 92 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4370 1 675 . 1 1 92 92 ARG HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4370 1 676 . 1 1 92 92 ARG HG2 H 1 1.63 0.02 . 2 . . . . . . . . 4370 1 677 . 1 1 92 92 ARG HD2 H 1 3.27 0.02 . 1 . . . . . . . . 4370 1 678 . 1 1 92 92 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4370 1 679 . 1 1 92 92 ARG HE H 1 7.21 0.02 . 1 . . . . . . . . 4370 1 680 . 1 1 92 92 ARG NE N 15 84.8 0.3 . 1 . . . . . . . . 4370 1 681 . 1 1 92 92 ARG N N 15 124.5 0.3 . 1 . . . . . . . . 4370 1 682 . 1 1 93 93 TYR H H 1 9.03 0.02 . 1 . . . . . . . . 4370 1 683 . 1 1 93 93 TYR HA H 1 3.83 0.02 . 1 . . . . . . . . 4370 1 684 . 1 1 93 93 TYR HB2 H 1 3.17 0.02 . 2 . . . . . . . . 4370 1 685 . 1 1 93 93 TYR HB3 H 1 2.80 0.02 . 2 . . . . . . . . 4370 1 686 . 1 1 93 93 TYR HD1 H 1 6.97 0.02 . 1 . . . . . . . . 4370 1 687 . 1 1 93 93 TYR HD2 H 1 6.97 0.02 . 1 . . . . . . . . 4370 1 688 . 1 1 93 93 TYR HE1 H 1 7.03 0.02 . 1 . . . . . . . . 4370 1 689 . 1 1 93 93 TYR HE2 H 1 7.03 0.02 . 1 . . . . . . . . 4370 1 690 . 1 1 93 93 TYR N N 15 127.8 0.3 . 1 . . . . . . . . 4370 1 691 . 1 1 94 94 PRO HA H 1 3.18 0.02 . 1 . . . . . . . . 4370 1 692 . 1 1 94 94 PRO HB2 H 1 1.74 0.02 . 4 . . . . . . . . 4370 1 693 . 1 1 94 94 PRO HD2 H 1 3.33 0.02 . 2 . . . . . . . . 4370 1 694 . 1 1 94 94 PRO HD3 H 1 3.18 0.02 . 2 . . . . . . . . 4370 1 695 . 1 1 95 95 ASN H H 1 8.88 0.02 . 1 . . . . . . . . 4370 1 696 . 1 1 95 95 ASN HA H 1 4.81 0.02 . 1 . . . . . . . . 4370 1 697 . 1 1 95 95 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 4370 1 698 . 1 1 95 95 ASN HB3 H 1 2.73 0.02 . 2 . . . . . . . . 4370 1 699 . 1 1 95 95 ASN HD21 H 1 7.71 0.02 . 2 . . . . . . . . 4370 1 700 . 1 1 95 95 ASN HD22 H 1 6.96 0.02 . 2 . . . . . . . . 4370 1 701 . 1 1 95 95 ASN N N 15 128.8 0.3 . 1 . . . . . . . . 4370 1 702 . 1 1 95 95 ASN ND2 N 15 113.9 0.3 . 1 . . . . . . . . 4370 1 703 . 1 1 96 96 CYS H H 1 7.73 0.02 . 1 . . . . . . . . 4370 1 704 . 1 1 96 96 CYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4370 1 705 . 1 1 96 96 CYS HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4370 1 706 . 1 1 96 96 CYS HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4370 1 707 . 1 1 96 96 CYS N N 15 120.0 0.3 . 1 . . . . . . . . 4370 1 708 . 1 1 97 97 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 4370 1 709 . 1 1 97 97 ALA HA H 1 4.74 0.02 . 1 . . . . . . . . 4370 1 710 . 1 1 97 97 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 4370 1 711 . 1 1 97 97 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 4370 1 712 . 1 1 97 97 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 4370 1 713 . 1 1 97 97 ALA N N 15 129.8 0.3 . 1 . . . . . . . . 4370 1 714 . 1 1 98 98 TYR H H 1 9.60 0.02 . 1 . . . . . . . . 4370 1 715 . 1 1 98 98 TYR HA H 1 4.95 0.02 . 1 . . . . . . . . 4370 1 716 . 1 1 98 98 TYR HB2 H 1 2.53 0.02 . 2 . . . . . . . . 4370 1 717 . 1 1 98 98 TYR HB3 H 1 2.47 0.02 . 2 . . . . . . . . 4370 1 718 . 1 1 98 98 TYR HD1 H 1 7.01 0.02 . 3 . . . . . . . . 4370 1 719 . 1 1 98 98 TYR HD2 H 1 6.54 0.02 . 3 . . . . . . . . 4370 1 720 . 1 1 98 98 TYR HE1 H 1 6.94 0.02 . 3 . . . . . . . . 4370 1 721 . 1 1 98 98 TYR HE2 H 1 6.39 0.02 . 3 . . . . . . . . 4370 1 722 . 1 1 98 98 TYR HH H 1 9.17 0.02 . 1 . . . . . . . . 4370 1 723 . 1 1 98 98 TYR N N 15 118.6 0.3 . 1 . . . . . . . . 4370 1 724 . 1 1 99 99 ARG H H 1 9.32 0.02 . 1 . . . . . . . . 4370 1 725 . 1 1 99 99 ARG HA H 1 4.72 0.02 . 1 . . . . . . . . 4370 1 726 . 1 1 99 99 ARG HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4370 1 727 . 1 1 99 99 ARG HB3 H 1 1.84 0.02 . 2 . . . . . . . . 4370 1 728 . 1 1 99 99 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 4370 1 729 . 1 1 99 99 ARG HG3 H 1 1.62 0.02 . 2 . . . . . . . . 4370 1 730 . 1 1 99 99 ARG HD2 H 1 3.26 0.02 . 2 . . . . . . . . 4370 1 731 . 1 1 99 99 ARG HE H 1 7.29 0.02 . 1 . . . . . . . . 4370 1 732 . 1 1 99 99 ARG NE N 15 84.3 0.3 . 1 . . . . . . . . 4370 1 733 . 1 1 99 99 ARG N N 15 123.5 0.3 . 1 . . . . . . . . 4370 1 734 . 1 1 100 100 THR H H 1 9.14 0.02 . 1 . . . . . . . . 4370 1 735 . 1 1 100 100 THR HA H 1 5.20 0.02 . 1 . . . . . . . . 4370 1 736 . 1 1 100 100 THR HB H 1 4.24 0.02 . 1 . . . . . . . . 4370 1 737 . 1 1 100 100 THR HG21 H 1 1.36 0.02 . 1 . . . . . . . . 4370 1 738 . 1 1 100 100 THR HG22 H 1 1.36 0.02 . 1 . . . . . . . . 4370 1 739 . 1 1 100 100 THR HG23 H 1 1.36 0.02 . 1 . . . . . . . . 4370 1 740 . 1 1 100 100 THR N N 15 124.5 0.3 . 1 . . . . . . . . 4370 1 741 . 1 1 101 101 SER H H 1 8.91 0.02 . 1 . . . . . . . . 4370 1 742 . 1 1 101 101 SER HA H 1 5.27 0.02 . 1 . . . . . . . . 4370 1 743 . 1 1 101 101 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 4370 1 744 . 1 1 101 101 SER HB3 H 1 3.84 0.02 . 2 . . . . . . . . 4370 1 745 . 1 1 101 101 SER N N 15 121.9 0.3 . 1 . . . . . . . . 4370 1 746 . 1 1 102 102 PRO HA H 1 5.47 0.02 . 1 . . . . . . . . 4370 1 747 . 1 1 102 102 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4370 1 748 . 1 1 102 102 PRO HB3 H 1 2.20 0.02 . 2 . . . . . . . . 4370 1 749 . 1 1 102 102 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 4370 1 750 . 1 1 102 102 PRO HG3 H 1 1.91 0.02 . 2 . . . . . . . . 4370 1 751 . 1 1 102 102 PRO HD2 H 1 3.97 0.02 . 2 . . . . . . . . 4370 1 752 . 1 1 102 102 PRO HD3 H 1 3.51 0.02 . 2 . . . . . . . . 4370 1 753 . 1 1 103 103 LYS H H 1 9.28 0.02 . 1 . . . . . . . . 4370 1 754 . 1 1 103 103 LYS HA H 1 4.75 0.02 . 1 . . . . . . . . 4370 1 755 . 1 1 103 103 LYS HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4370 1 756 . 1 1 103 103 LYS HB3 H 1 1.93 0.02 . 2 . . . . . . . . 4370 1 757 . 1 1 103 103 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 4370 1 758 . 1 1 103 103 LYS HD2 H 1 1.49 0.02 . 2 . . . . . . . . 4370 1 759 . 1 1 103 103 LYS N N 15 121.0 0.3 . 1 . . . . . . . . 4370 1 760 . 1 1 104 104 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 4370 1 761 . 1 1 104 104 GLU HA H 1 5.36 0.02 . 1 . . . . . . . . 4370 1 762 . 1 1 104 104 GLU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4370 1 763 . 1 1 104 104 GLU HB3 H 1 1.63 0.02 . 2 . . . . . . . . 4370 1 764 . 1 1 104 104 GLU HG2 H 1 1.94 0.02 . 2 . . . . . . . . 4370 1 765 . 1 1 104 104 GLU HG3 H 1 1.76 0.02 . 2 . . . . . . . . 4370 1 766 . 1 1 104 104 GLU N N 15 119.8 0.3 . 1 . . . . . . . . 4370 1 767 . 1 1 105 105 ARG H H 1 8.99 0.02 . 1 . . . . . . . . 4370 1 768 . 1 1 105 105 ARG HA H 1 4.94 0.02 . 1 . . . . . . . . 4370 1 769 . 1 1 105 105 ARG HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4370 1 770 . 1 1 105 105 ARG HB3 H 1 1.45 0.02 . 2 . . . . . . . . 4370 1 771 . 1 1 105 105 ARG HG2 H 1 1.63 0.02 . 2 . . . . . . . . 4370 1 772 . 1 1 105 105 ARG HE H 1 7.26 0.02 . 5 . . . . . . . . 4370 1 773 . 1 1 105 105 ARG NE N 15 84.4 0.3 . 5 . . . . . . . . 4370 1 774 . 1 1 105 105 ARG N N 15 123.1 0.3 . 1 . . . . . . . . 4370 1 775 . 1 1 106 106 HIS H H 1 9.34 0.02 . 1 . . . . . . . . 4370 1 776 . 1 1 106 106 HIS HA H 1 4.50 0.02 . 1 . . . . . . . . 4370 1 777 . 1 1 106 106 HIS HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4370 1 778 . 1 1 106 106 HIS HB3 H 1 3.04 0.02 . 2 . . . . . . . . 4370 1 779 . 1 1 106 106 HIS HD2 H 1 7.37 0.02 . 1 . . . . . . . . 4370 1 780 . 1 1 106 106 HIS HE1 H 1 8.57 0.02 . 1 . . . . . . . . 4370 1 781 . 1 1 106 106 HIS N N 15 119.6 0.3 . 1 . . . . . . . . 4370 1 782 . 1 1 107 107 ILE H H 1 8.58 0.02 . 1 . . . . . . . . 4370 1 783 . 1 1 107 107 ILE HA H 1 4.92 0.02 . 1 . . . . . . . . 4370 1 784 . 1 1 107 107 ILE HB H 1 1.77 0.02 . 2 . . . . . . . . 4370 1 785 . 1 1 107 107 ILE HG12 H 1 1.53 0.02 . 2 . . . . . . . . 4370 1 786 . 1 1 107 107 ILE HG13 H 1 1.47 0.02 . 2 . . . . . . . . 4370 1 787 . 1 1 107 107 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 4370 1 788 . 1 1 107 107 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 4370 1 789 . 1 1 107 107 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 4370 1 790 . 1 1 107 107 ILE N N 15 115.4 0.3 . 1 . . . . . . . . 4370 1 791 . 1 1 108 108 ILE H H 1 8.27 0.02 . 1 . . . . . . . . 4370 1 792 . 1 1 108 108 ILE HA H 1 5.45 0.02 . 1 . . . . . . . . 4370 1 793 . 1 1 108 108 ILE HB H 1 1.46 0.02 . 1 . . . . . . . . 4370 1 794 . 1 1 108 108 ILE HG12 H 1 1.33 0.02 . 2 . . . . . . . . 4370 1 795 . 1 1 108 108 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 4370 1 796 . 1 1 108 108 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 4370 1 797 . 1 1 108 108 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 4370 1 798 . 1 1 108 108 ILE HD11 H 1 0.73 0.02 . 1 . . . . . . . . 4370 1 799 . 1 1 108 108 ILE HD12 H 1 0.73 0.02 . 1 . . . . . . . . 4370 1 800 . 1 1 108 108 ILE HD13 H 1 0.73 0.02 . 1 . . . . . . . . 4370 1 801 . 1 1 108 108 ILE N N 15 120.5 0.3 . 1 . . . . . . . . 4370 1 802 . 1 1 109 109 VAL H H 1 8.66 0.02 . 1 . . . . . . . . 4370 1 803 . 1 1 109 109 VAL HA H 1 4.83 0.02 . 1 . . . . . . . . 4370 1 804 . 1 1 109 109 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 4370 1 805 . 1 1 109 109 VAL HG11 H 1 0.74 0.02 . 2 . . . . . . . . 4370 1 806 . 1 1 109 109 VAL HG12 H 1 0.74 0.02 . 2 . . . . . . . . 4370 1 807 . 1 1 109 109 VAL HG13 H 1 0.74 0.02 . 2 . . . . . . . . 4370 1 808 . 1 1 109 109 VAL HG21 H 1 0.60 0.02 . 2 . . . . . . . . 4370 1 809 . 1 1 109 109 VAL HG22 H 1 0.60 0.02 . 2 . . . . . . . . 4370 1 810 . 1 1 109 109 VAL HG23 H 1 0.60 0.02 . 2 . . . . . . . . 4370 1 811 . 1 1 109 109 VAL N N 15 117.2 0.3 . 1 . . . . . . . . 4370 1 812 . 1 1 110 110 ALA H H 1 8.54 0.02 . 1 . . . . . . . . 4370 1 813 . 1 1 110 110 ALA HA H 1 5.62 0.02 . 1 . . . . . . . . 4370 1 814 . 1 1 110 110 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 4370 1 815 . 1 1 110 110 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4370 1 816 . 1 1 110 110 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4370 1 817 . 1 1 110 110 ALA N N 15 122.1 0.3 . 1 . . . . . . . . 4370 1 818 . 1 1 111 111 CYS H H 1 8.31 0.02 . 1 . . . . . . . . 4370 1 819 . 1 1 111 111 CYS HA H 1 5.43 0.02 . 1 . . . . . . . . 4370 1 820 . 1 1 111 111 CYS HB2 H 1 2.55 0.02 . 1 . . . . . . . . 4370 1 821 . 1 1 111 111 CYS HB3 H 1 1.02 0.02 . 1 . . . . . . . . 4370 1 822 . 1 1 111 111 CYS N N 15 118.2 0.3 . 1 . . . . . . . . 4370 1 823 . 1 1 112 112 GLU H H 1 8.51 0.02 . 1 . . . . . . . . 4370 1 824 . 1 1 112 112 GLU HA H 1 4.59 0.02 . 1 . . . . . . . . 4370 1 825 . 1 1 112 112 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4370 1 826 . 1 1 112 112 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 4370 1 827 . 1 1 112 112 GLU HG3 H 1 2.20 0.02 . 2 . . . . . . . . 4370 1 828 . 1 1 112 112 GLU N N 15 120.2 0.3 . 1 . . . . . . . . 4370 1 829 . 1 1 113 113 GLY H H 1 8.83 0.02 . 1 . . . . . . . . 4370 1 830 . 1 1 113 113 GLY HA2 H 1 4.58 0.02 . 2 . . . . . . . . 4370 1 831 . 1 1 113 113 GLY HA3 H 1 3.84 0.02 . 2 . . . . . . . . 4370 1 832 . 1 1 113 113 GLY N N 15 109.8 0.3 . 1 . . . . . . . . 4370 1 833 . 1 1 114 114 SER H H 1 7.81 0.02 . 1 . . . . . . . . 4370 1 834 . 1 1 114 114 SER HA H 1 4.60 0.02 . 1 . . . . . . . . 4370 1 835 . 1 1 114 114 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 4370 1 836 . 1 1 114 114 SER HB3 H 1 3.65 0.02 . 2 . . . . . . . . 4370 1 837 . 1 1 114 114 SER N N 15 111.5 0.3 . 1 . . . . . . . . 4370 1 838 . 1 1 115 115 PRO HA H 1 4.76 0.02 . 1 . . . . . . . . 4370 1 839 . 1 1 115 115 PRO HB2 H 1 2.41 0.02 . 2 . . . . . . . . 4370 1 840 . 1 1 115 115 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4370 1 841 . 1 1 115 115 PRO HG2 H 1 1.95 0.02 . 2 . . . . . . . . 4370 1 842 . 1 1 115 115 PRO HG3 H 1 1.82 0.02 . 2 . . . . . . . . 4370 1 843 . 1 1 115 115 PRO HD2 H 1 3.69 0.02 . 2 . . . . . . . . 4370 1 844 . 1 1 115 115 PRO HD3 H 1 3.52 0.02 . 2 . . . . . . . . 4370 1 845 . 1 1 116 116 TYR H H 1 8.67 0.02 . 1 . . . . . . . . 4370 1 846 . 1 1 116 116 TYR HA H 1 4.26 0.02 . 1 . . . . . . . . 4370 1 847 . 1 1 116 116 TYR HB2 H 1 3.16 0.02 . 2 . . . . . . . . 4370 1 848 . 1 1 116 116 TYR HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4370 1 849 . 1 1 116 116 TYR HD1 H 1 6.98 0.02 . 1 . . . . . . . . 4370 1 850 . 1 1 116 116 TYR HD2 H 1 6.98 0.02 . 1 . . . . . . . . 4370 1 851 . 1 1 116 116 TYR HE1 H 1 6.65 0.02 . 1 . . . . . . . . 4370 1 852 . 1 1 116 116 TYR HE2 H 1 6.65 0.02 . 1 . . . . . . . . 4370 1 853 . 1 1 116 116 TYR N N 15 126.1 0.3 . 1 . . . . . . . . 4370 1 854 . 1 1 117 117 VAL H H 1 7.33 0.02 . 1 . . . . . . . . 4370 1 855 . 1 1 117 117 VAL HA H 1 4.97 0.02 . 1 . . . . . . . . 4370 1 856 . 1 1 117 117 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4370 1 857 . 1 1 117 117 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 4370 1 858 . 1 1 117 117 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 4370 1 859 . 1 1 117 117 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4370 1 860 . 1 1 117 117 VAL HG21 H 1 0.77 0.02 . 2 . . . . . . . . 4370 1 861 . 1 1 117 117 VAL HG22 H 1 0.77 0.02 . 2 . . . . . . . . 4370 1 862 . 1 1 117 117 VAL HG23 H 1 0.77 0.02 . 2 . . . . . . . . 4370 1 863 . 1 1 117 117 VAL N N 15 117.6 0.3 . 1 . . . . . . . . 4370 1 864 . 1 1 118 118 PRO HA H 1 4.55 0.02 . 1 . . . . . . . . 4370 1 865 . 1 1 118 118 PRO HB2 H 1 0.96 0.02 . 2 . . . . . . . . 4370 1 866 . 1 1 118 118 PRO HB3 H 1 0.03 0.02 . 2 . . . . . . . . 4370 1 867 . 1 1 118 118 PRO HG2 H 1 1.55 0.02 . 2 . . . . . . . . 4370 1 868 . 1 1 118 118 PRO HG3 H 1 1.39 0.02 . 2 . . . . . . . . 4370 1 869 . 1 1 118 118 PRO HD2 H 1 3.74 0.02 . 2 . . . . . . . . 4370 1 870 . 1 1 118 118 PRO HD3 H 1 3.29 0.02 . 2 . . . . . . . . 4370 1 871 . 1 1 119 119 VAL H H 1 8.96 0.02 . 1 . . . . . . . . 4370 1 872 . 1 1 119 119 VAL HA H 1 4.54 0.02 . 1 . . . . . . . . 4370 1 873 . 1 1 119 119 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 4370 1 874 . 1 1 119 119 VAL HG11 H 1 0.82 0.02 . 2 . . . . . . . . 4370 1 875 . 1 1 119 119 VAL HG12 H 1 0.82 0.02 . 2 . . . . . . . . 4370 1 876 . 1 1 119 119 VAL HG13 H 1 0.82 0.02 . 2 . . . . . . . . 4370 1 877 . 1 1 119 119 VAL HG21 H 1 0.60 0.02 . 2 . . . . . . . . 4370 1 878 . 1 1 119 119 VAL HG22 H 1 0.60 0.02 . 2 . . . . . . . . 4370 1 879 . 1 1 119 119 VAL HG23 H 1 0.60 0.02 . 2 . . . . . . . . 4370 1 880 . 1 1 119 119 VAL N N 15 110.1 0.3 . 1 . . . . . . . . 4370 1 881 . 1 1 120 120 HIS H H 1 7.56 0.02 . 1 . . . . . . . . 4370 1 882 . 1 1 120 120 HIS HA H 1 5.51 0.02 . 1 . . . . . . . . 4370 1 883 . 1 1 120 120 HIS HB2 H 1 3.50 0.02 . 2 . . . . . . . . 4370 1 884 . 1 1 120 120 HIS HB3 H 1 3.01 0.02 . 2 . . . . . . . . 4370 1 885 . 1 1 120 120 HIS HD2 H 1 6.91 0.02 . 1 . . . . . . . . 4370 1 886 . 1 1 120 120 HIS N N 15 119.8 0.3 . 1 . . . . . . . . 4370 1 887 . 1 1 121 121 PHE H H 1 9.77 0.02 . 1 . . . . . . . . 4370 1 888 . 1 1 121 121 PHE HA H 1 4.28 0.02 . 1 . . . . . . . . 4370 1 889 . 1 1 121 121 PHE HB2 H 1 2.73 0.02 . 1 . . . . . . . . 4370 1 890 . 1 1 121 121 PHE HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4370 1 891 . 1 1 121 121 PHE HD1 H 1 6.61 0.02 . 1 . . . . . . . . 4370 1 892 . 1 1 121 121 PHE HD2 H 1 6.61 0.02 . 1 . . . . . . . . 4370 1 893 . 1 1 121 121 PHE HE1 H 1 7.00 0.02 . 1 . . . . . . . . 4370 1 894 . 1 1 121 121 PHE HE2 H 1 7.00 0.02 . 1 . . . . . . . . 4370 1 895 . 1 1 121 121 PHE HZ H 1 6.99 0.02 . 1 . . . . . . . . 4370 1 896 . 1 1 121 121 PHE N N 15 130.4 0.3 . 1 . . . . . . . . 4370 1 897 . 1 1 122 122 ASP H H 1 8.62 0.02 . 1 . . . . . . . . 4370 1 898 . 1 1 122 122 ASP HA H 1 4.84 0.02 . 1 . . . . . . . . 4370 1 899 . 1 1 122 122 ASP HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4370 1 900 . 1 1 122 122 ASP HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4370 1 901 . 1 1 122 122 ASP N N 15 131.0 0.3 . 1 . . . . . . . . 4370 1 902 . 1 1 123 123 ALA H H 1 7.42 0.02 . 1 . . . . . . . . 4370 1 903 . 1 1 123 123 ALA HA H 1 4.48 0.02 . 1 . . . . . . . . 4370 1 904 . 1 1 123 123 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 4370 1 905 . 1 1 123 123 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 4370 1 906 . 1 1 123 123 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4370 1 907 . 1 1 123 123 ALA N N 15 116.1 0.3 . 1 . . . . . . . . 4370 1 908 . 1 1 124 124 SER H H 1 8.32 0.02 . 1 . . . . . . . . 4370 1 909 . 1 1 124 124 SER HA H 1 5.18 0.02 . 1 . . . . . . . . 4370 1 910 . 1 1 124 124 SER HB2 H 1 3.84 0.02 . 2 . . . . . . . . 4370 1 911 . 1 1 124 124 SER HB3 H 1 3.79 0.02 . 2 . . . . . . . . 4370 1 912 . 1 1 124 124 SER N N 15 112.3 0.3 . 1 . . . . . . . . 4370 1 913 . 1 1 125 125 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 4370 1 914 . 1 1 125 125 VAL HA H 1 4.41 0.02 . 1 . . . . . . . . 4370 1 915 . 1 1 125 125 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 4370 1 916 . 1 1 125 125 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 4370 1 917 . 1 1 125 125 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 4370 1 918 . 1 1 125 125 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 4370 1 919 . 1 1 125 125 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 4370 1 920 . 1 1 125 125 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 4370 1 921 . 1 1 125 125 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 4370 1 922 . 1 1 125 125 VAL N N 15 118.8 0.3 . 1 . . . . . . . . 4370 1 923 . 1 1 126 126 GLU H H 1 8.90 0.02 . 1 . . . . . . . . 4370 1 924 . 1 1 126 126 GLU HA H 1 4.52 0.02 . 1 . . . . . . . . 4370 1 925 . 1 1 126 126 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4370 1 926 . 1 1 126 126 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4370 1 927 . 1 1 126 126 GLU HG2 H 1 2.35 0.02 . 1 . . . . . . . . 4370 1 928 . 1 1 126 126 GLU HG3 H 1 2.35 0.02 . 1 . . . . . . . . 4370 1 929 . 1 1 126 126 GLU N N 15 125.5 0.3 . 1 . . . . . . . . 4370 1 930 . 1 1 127 127 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 4370 1 931 . 1 1 127 127 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 4370 1 932 . 1 1 127 127 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4370 1 933 . 1 1 127 127 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4370 1 934 . 1 1 127 127 ASP N N 15 121.5 0.3 . 1 . . . . . . . . 4370 1 935 . 1 1 128 128 SER H H 1 7.94 0.02 . 1 . . . . . . . . 4370 1 936 . 1 1 128 128 SER HA H 1 4.21 0.02 . 1 . . . . . . . . 4370 1 937 . 1 1 128 128 SER HB2 H 1 3.84 0.02 . 2 . . . . . . . . 4370 1 938 . 1 1 128 128 SER N N 15 121.1 0.3 . 1 . . . . . . . . 4370 1 stop_ save_