data_6540 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6540 _Entry.Title ; Sequence-specific 1H, 13C and 15N resonance assignments of the winged-helix domain of the human Werner syndrome protein ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2005-03-07 _Entry.Accession_date 2005-03-08 _Entry.Last_release_date 2005-08-29 _Entry.Original_release_date 2005-08-29 _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 Jian-Zhong Sun . . . 6540 2 Han-Qiao Feng . . . 6540 3 Guang-Xin Lin . . . 6540 4 Wang-Yong Zeng . . . 6540 5 Jin-Shan Hu . . . 6540 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6540 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 782 6540 '13C chemical shifts' 604 6540 '15N chemical shifts' 149 6540 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 . . 2005-08-29 2005-03-07 original author . 6540 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6540 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Assignments of the Winged-Helix Domain of Human Werner Syndrome Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 3 _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 261 _Citation.Page_last 261 _Citation.Year 2005 _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 Jian-Zhong Sun . . . 6540 1 2 Han-Qiao Feng . . . 6540 1 3 Guang-Xin Lin . . . 6540 1 4 Wangyong Zeng . . . 6540 1 5 Jin-Shan Hu . . . 6540 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignments' 6540 1 'Werner syndrome protein' 6540 1 WRN 6540 1 'nucleolar targeting sequence' 6540 1 'RQC domain' 6540 1 winged-helix 6540 1 'WH domain' 6540 1 stop_ save_ save_references_1 _Citation.Sf_category citations _Citation.Sf_framecode references_1 _Citation.Entry_ID 6540 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8602509 _Citation.Full_citation ; Yu CE, Oshima J, Fu YH, Wijsman EM, Hisama F, Alisch R, Matthews S, Nakura J, Miki T, Ouais S, Martin GM, Mulligan J, Schellenberg GD. Positional cloning of the Werner's syndrome gene. Science. 1996 Apr 12;272(5259):258-62. ; _Citation.Title 'Positional cloning of the Werner's syndrome gene.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 272 _Citation.Journal_issue 5259 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0036-8075 _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 258 _Citation.Page_last 262 _Citation.Year 1996 _Citation.Details ; Werner's syndrome (WS) is an inherited disease with clinical symptoms resembling premature aging. Early susceptibility to a number of major age-related diseases is a key feature of this disorder. The gene responsible for WS (known as WRN) was identified by positional cloning. The predicted protein is 1432 amino acids in length and shows significant similarity to DNA helicases. Four mutations in WS patients were identified. Two of the mutations are splice-junction mutations, with the predicted result being the exclusion of exons from the final messenger RNA. One of the these mutations, which results in a frameshift and a predicted truncated protein, was found in the homozygous state in 60 percent of Japanese WS patients examined. The other two mutations are nonsense mutations. The identification of a mutated putative helicase as the gene product of the WS gene suggests that defective DNA metabolism is involved in the complex process of aging in WS patients. ; 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 'C. E.' Yu C. E. . 6540 2 2 J. Oshima J. . . 6540 2 3 'Y. H.' Fu Y. H. . 6540 2 4 'E. M.' Wijsman E. M. . 6540 2 5 F. Hisama F. . . 6540 2 6 R. Alisch R. . . 6540 2 7 S. Matthews S. . . 6540 2 8 J. Nakura J. . . 6540 2 9 T. Miki T. . . 6540 2 10 S. Ouais S. . . 6540 2 11 'G. M.' Martin G. M. . 6540 2 12 J. Mulligan J. . . 6540 2 13 'G. D.' Schellenberg G. D. . 6540 2 stop_ save_ save_references_2 _Citation.Sf_category citations _Citation.Sf_framecode references_2 _Citation.Entry_ID 6540 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12803543 _Citation.Full_citation ; Bachrati CZ, Hickson ID. RecQ helicases: suppressors of tumorigenesis and premature aging. Biochem J. 2003 Sep 15;374(Pt 3):577-606. ; _Citation.Title 'RecQ helicases: suppressors of tumorigenesis and premature aging.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 374 _Citation.Journal_issue 'Pt 3' _Citation.Journal_ASTM . _Citation.Journal_ISSN 1470-8728 _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 577 _Citation.Page_last 606 _Citation.Year 2003 _Citation.Details ; The RecQ helicases represent a subfamily of DNA helicases that are highly conserved in evolution. Loss of RecQ helicase function leads to a breakdown in the maintenance of genome integrity, in particular hyper-recombination. Germ-line defects in three of the five known human RecQ helicases give rise to defined genetic disorders associated with cancer predisposition and/or premature aging. These are Bloom's syndrome, Werner's syndrome and Rothmund-Thomson syndrome, which are caused by defects in the genes BLM, WRN and RECQ4 respectively. Here we review the properties of RecQ helicases in organisms from bacteria to humans, with an emphasis on the biochemical functions of these enzymes and the range of protein partners that they operate with. We will discuss models in which RecQ helicases are required to protect against replication fork demise, either through prevention of fork breakdown or restoration of productive DNA synthesis. ; 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 'Csanad Z.' Bachrati C. Z. . 6540 3 2 'Ian D.' Hickson I. D. . 6540 3 stop_ save_ save_references_3 _Citation.Sf_category citations _Citation.Sf_framecode references_3 _Citation.Entry_ID 6540 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9397680 _Citation.Full_citation ; Morozov V, Mushegian AR, Koonin EV, Bork P. A putative nucleic acid-binding domain in Bloom's and Werner's syndrome helicases. Trends Biochem Sci. 1997 Nov;22(11):417-8. ; _Citation.Title 'A putative nucleic acid-binding domain in Bloom's and Werner's syndrome helicases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Trends Biochem. Sci.' _Citation.Journal_name_full 'Trends in biochemical sciences' _Citation.Journal_volume 22 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0968-0004 _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 417 _Citation.Page_last 418 _Citation.Year 1997 _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 V. Morozov V. . . 6540 4 2 'A. R.' Mushegian A. R. . 6540 4 3 'E. V.' Koonin E. V. . 6540 4 4 P. Bork P. . . 6540 4 stop_ save_ save_references_4 _Citation.Sf_category citations _Citation.Sf_framecode references_4 _Citation.Entry_ID 6540 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15217989 _Citation.Full_citation ; Bennett RJ, Keck JL. Structure and function of RecQ DNA helicases. Crit Rev Biochem Mol Biol. 2004 Mar-Apr;39(2):79-97. ; _Citation.Title 'Structure and function of RecQ DNA helicases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Crit. Rev. Biochem. Mol. Biol.' _Citation.Journal_name_full 'Critical reviews in biochemistry and molecular biology' _Citation.Journal_volume 39 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1040-9238 _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 79 _Citation.Page_last 97 _Citation.Year . _Citation.Details ; RecQ family helicases play important roles in coordinating genome maintenance pathways in living cells. In the absence of functional RecQ proteins, cells exhibit a variety of phenotypes, including increased mitotic recombination, elevated chromosome missegregation, hypersensitivity to DNA-damaging agents, and defects in meiosis. Mutations in three of the five human RecQ family members give rise to genetic disorders associated with a predisposition to cancer and premature aging, highlighting the importance of RecQ proteins and their cellular activities for human health. Current evidence suggests that RecQ proteins act at multiple steps in DNA replication, including stabilization of replication forks and removal of DNA recombination intermediates, in order to maintain genome integrity. The cellular basis of RecQ helicase function may be explained through interactions with multiple components of the DNA replication and recombination machinery. This review focuses on biochemical and structural aspects of the RecQ helicases and how these features relate to their known cellular function, specifically in preventing excessive recombination. ; 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 'Richard J.' Bennett R. J. . 6540 5 2 'James L.' Keck J. L. . 6540 5 stop_ save_ save_references_5 _Citation.Sf_category citations _Citation.Sf_framecode references_5 _Citation.Entry_ID 6540 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15610765 _Citation.Full_citation ; Lee JW, Harrigan J, Opresko PL, Bohr VA. Pathways and functions of the Werner syndrome protein. Mech Ageing Dev. 2005 Jan;126(1):79-86. ; _Citation.Title 'Pathways and functions of the Werner syndrome protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mech. Ageing Dev.' _Citation.Journal_name_full 'Mechanisms of ageing and development' _Citation.Journal_volume 126 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0047-6374 _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 79 _Citation.Page_last 86 _Citation.Year 2005 _Citation.Details ; Mutations in human WRN (also known as RECQ3) gene give rise to a rare autosomal recessive genetic disorder, Werner syndrome (WS). WS is a premature aging disease characterized by predisposition to cancer and early onset of symptoms related to normal aging including osteoporosis, ocular cataracts, graying and loss of hair, diabetes mellitus, arteriosclerosis, and atherosclerosis. This review focuses on the functional role of Werner protein (WRN) in guarding the genetic stability of cells, particularly by playing an integral role in the base excision repair, and at the telomere ends. Furthermore, in-depth biochemical investigations have significantly advanced our understanding of WRN protein regarding its binding partners and the site of protein-protein interaction. The mapping analysis of protein interaction sites in WRN for most of its binding partners have revealed a common site of protein-protein interaction in the RecQ conserved (RQC) region of WRN. ; 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 'Jae Wan' Lee J. W. . 6540 6 2 Jeanine Harrigan J. . . 6540 6 3 'Patricia L.' Opresko P. L. . 6540 6 4 'Vilhelm A.' Bohr V. A. . 6540 6 stop_ save_ save_references_6 _Citation.Sf_category citations _Citation.Sf_framecode references_6 _Citation.Entry_ID 6540 _Citation.ID 7 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9683536 _Citation.Full_citation ; Gray MD, Wang L, Youssoufian H, Martin GM, Oshima J. Werner helicase is localized to transcriptionally active nucleoli of cycling cells. Exp Cell Res. 1998 Aug 1;242(2):487-94. ; _Citation.Title 'Werner helicase is localized to transcriptionally active nucleoli of cycling cells.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Exp. Cell Res.' _Citation.Journal_name_full 'Experimental cell research' _Citation.Journal_volume 242 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-4827 _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 487 _Citation.Page_last 494 _Citation.Year 1998 _Citation.Details ; Mutations at the Werner helicase locus (WRN) are responsible for the Werner syndrome (WS), a "caricature of aging." We have localized the Werner protein (WRNp) to the nucleoli of replicating mammalian cells, where its appearance is associated with transcriptional activity. A dramatic reduction of the nucleolar signal and of [3H]uridine incorporation occurred when cultures were made quiescent or were exposed to 4-nitroquinoline-1-oxide (4NQO), to which WS cells are particularly susceptible. Total cellular levels of WRNp, however, did not change, and virtually all WRNp was in the nuclear fractions, consistent with translocation to the nucleoplasm and/or masking of the epitopes. The 4NQO-induced altered state of WRNp was prevented by Na3VO4, but not by okadaic acid, suggesting that WRNp localization/function is partially regulated by kinases/phosphatases for Tyr substrates on WRNp or interacting proteins. The repression of rDNA transcription by 4NQO was not reversed by Na3VO4. We suggest that physiological states and genotoxic agents modulate the interaction of WRNp with rDNA, consistent with a role of WRNp in rDNA transcription. ; 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 'M. D.' Gray M. D. . 6540 7 2 L. Wang L. . . 6540 7 3 H. Youssoufian H. . . 6540 7 4 'G. M.' Martin G. M. . 6540 7 5 J. Oshima J. . . 6540 7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_WRN _Assembly.Sf_category assembly _Assembly.Sf_framecode system_WRN _Assembly.Entry_ID 6540 _Assembly.ID 1 _Assembly.Name 'Werner syndrome protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6540 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 'The winged-helix domain of WRN protein' 1 $WH_domain_of_WRN . . . native . . . . . 6540 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Werner syndrome protein' system 6540 1 WRN abbreviation 6540 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'WRN protein plays an important role in preventing premature human aging.' 6540 1 'The WRN protein is involved in the DNA replication, repair, recombination and transcription.' 6540 1 ; The WH subdomain of RQC domain of WRN is involved in the interaction with many proteins and specific structured DNA. ; 6540 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WH_domain_of_WRN _Entity.Sf_category entity _Entity.Sf_framecode WH_domain_of_WRN _Entity.Entry_ID 6540 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'The winged-helix domain of WRN' _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 ; MDDSEDTSWDFGPQAFKLLS AVDILGEKFGIGLPILFLRG SNSQRLADQYRRHSLFGTGK DQTESWWKAFSRQLITGGFL VEVSRYNKFMKICALTKKGR NWLHKANTESQSLILQANEE LCPKKLLLPSSKTVSSGTKE HCYN ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16333.65 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2AXL . "Solution Structure Of A Multifunctional Dna- And Protein- Binding Domain Of Human Werner Syndrome Protein" . . . . . 100.00 144 99.31 99.31 2.68e-100 . . . . 6540 1 2 no PDB 3AAF . "Structure Of Wrn Rqc Domain Bound To Double-Stranded Dna" . . . . . 90.97 134 98.47 98.47 1.19e-88 . . . . 6540 1 3 no DBJ BAD92889 . "Werner syndrome protein variant [Homo sapiens]" . . . . . 100.00 842 99.31 99.31 2.00e-94 . . . . 6540 1 4 no DBJ BAJ17933 . "Werner syndrome, RecQ helicase-like [synthetic construct]" . . . . . 100.00 1432 99.31 99.31 2.57e-92 . . . . 6540 1 5 no GB AAC41981 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1432 98.61 98.61 1.14e-91 . . . . 6540 1 6 no GB AAC63361 . "WRN [Homo sapiens]" . . . . . 100.00 1432 98.61 98.61 1.14e-91 . . . . 6540 1 7 no GB AAF06162 . "WRN [Homo sapiens]" . . . . . 100.00 1432 98.61 98.61 1.14e-91 . . . . 6540 1 8 no GB AAI72840 . "Werner syndrome protein [synthetic construct]" . . . . . 100.00 863 99.31 99.31 2.68e-94 . . . . 6540 1 9 no GB AAR05448 . "Werner syndrome [Homo sapiens]" . . . . . 100.00 1432 99.31 99.31 2.67e-92 . . . . 6540 1 10 no REF NP_000544 . "Werner syndrome ATP-dependent helicase [Homo sapiens]" . . . . . 100.00 1432 99.31 99.31 2.67e-92 . . . . 6540 1 11 no SP Q14191 . "RecName: Full=Werner syndrome ATP-dependent helicase; AltName: Full=DNA helicase, RecQ-like type 3; Short=RecQ3; AltName: Full=" . . . . . 100.00 1432 99.31 99.31 2.67e-92 . . . . 6540 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'The winged-helix domain of WRN' common 6540 1 'WH domain of WRN' abbreviation 6540 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6540 1 2 . ASP . 6540 1 3 . ASP . 6540 1 4 . SER . 6540 1 5 . GLU . 6540 1 6 . ASP . 6540 1 7 . THR . 6540 1 8 . SER . 6540 1 9 . TRP . 6540 1 10 . ASP . 6540 1 11 . PHE . 6540 1 12 . GLY . 6540 1 13 . PRO . 6540 1 14 . GLN . 6540 1 15 . ALA . 6540 1 16 . PHE . 6540 1 17 . LYS . 6540 1 18 . LEU . 6540 1 19 . LEU . 6540 1 20 . SER . 6540 1 21 . ALA . 6540 1 22 . VAL . 6540 1 23 . ASP . 6540 1 24 . ILE . 6540 1 25 . LEU . 6540 1 26 . GLY . 6540 1 27 . GLU . 6540 1 28 . LYS . 6540 1 29 . PHE . 6540 1 30 . GLY . 6540 1 31 . ILE . 6540 1 32 . GLY . 6540 1 33 . LEU . 6540 1 34 . PRO . 6540 1 35 . ILE . 6540 1 36 . LEU . 6540 1 37 . PHE . 6540 1 38 . LEU . 6540 1 39 . ARG . 6540 1 40 . GLY . 6540 1 41 . SER . 6540 1 42 . ASN . 6540 1 43 . SER . 6540 1 44 . GLN . 6540 1 45 . ARG . 6540 1 46 . LEU . 6540 1 47 . ALA . 6540 1 48 . ASP . 6540 1 49 . GLN . 6540 1 50 . TYR . 6540 1 51 . ARG . 6540 1 52 . ARG . 6540 1 53 . HIS . 6540 1 54 . SER . 6540 1 55 . LEU . 6540 1 56 . PHE . 6540 1 57 . GLY . 6540 1 58 . THR . 6540 1 59 . GLY . 6540 1 60 . LYS . 6540 1 61 . ASP . 6540 1 62 . GLN . 6540 1 63 . THR . 6540 1 64 . GLU . 6540 1 65 . SER . 6540 1 66 . TRP . 6540 1 67 . TRP . 6540 1 68 . LYS . 6540 1 69 . ALA . 6540 1 70 . PHE . 6540 1 71 . SER . 6540 1 72 . ARG . 6540 1 73 . GLN . 6540 1 74 . LEU . 6540 1 75 . ILE . 6540 1 76 . THR . 6540 1 77 . GLY . 6540 1 78 . GLY . 6540 1 79 . PHE . 6540 1 80 . LEU . 6540 1 81 . VAL . 6540 1 82 . GLU . 6540 1 83 . VAL . 6540 1 84 . SER . 6540 1 85 . ARG . 6540 1 86 . TYR . 6540 1 87 . ASN . 6540 1 88 . LYS . 6540 1 89 . PHE . 6540 1 90 . MET . 6540 1 91 . LYS . 6540 1 92 . ILE . 6540 1 93 . CYS . 6540 1 94 . ALA . 6540 1 95 . LEU . 6540 1 96 . THR . 6540 1 97 . LYS . 6540 1 98 . LYS . 6540 1 99 . GLY . 6540 1 100 . ARG . 6540 1 101 . ASN . 6540 1 102 . TRP . 6540 1 103 . LEU . 6540 1 104 . HIS . 6540 1 105 . LYS . 6540 1 106 . ALA . 6540 1 107 . ASN . 6540 1 108 . THR . 6540 1 109 . GLU . 6540 1 110 . SER . 6540 1 111 . GLN . 6540 1 112 . SER . 6540 1 113 . LEU . 6540 1 114 . ILE . 6540 1 115 . LEU . 6540 1 116 . GLN . 6540 1 117 . ALA . 6540 1 118 . ASN . 6540 1 119 . GLU . 6540 1 120 . GLU . 6540 1 121 . LEU . 6540 1 122 . CYS . 6540 1 123 . PRO . 6540 1 124 . LYS . 6540 1 125 . LYS . 6540 1 126 . LEU . 6540 1 127 . LEU . 6540 1 128 . LEU . 6540 1 129 . PRO . 6540 1 130 . SER . 6540 1 131 . SER . 6540 1 132 . LYS . 6540 1 133 . THR . 6540 1 134 . VAL . 6540 1 135 . SER . 6540 1 136 . SER . 6540 1 137 . GLY . 6540 1 138 . THR . 6540 1 139 . LYS . 6540 1 140 . GLU . 6540 1 141 . HIS . 6540 1 142 . CYS . 6540 1 143 . TYR . 6540 1 144 . ASN . 6540 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 6540 1 . ASP 2 2 6540 1 . ASP 3 3 6540 1 . SER 4 4 6540 1 . GLU 5 5 6540 1 . ASP 6 6 6540 1 . THR 7 7 6540 1 . SER 8 8 6540 1 . TRP 9 9 6540 1 . ASP 10 10 6540 1 . PHE 11 11 6540 1 . GLY 12 12 6540 1 . PRO 13 13 6540 1 . GLN 14 14 6540 1 . ALA 15 15 6540 1 . PHE 16 16 6540 1 . LYS 17 17 6540 1 . LEU 18 18 6540 1 . LEU 19 19 6540 1 . SER 20 20 6540 1 . ALA 21 21 6540 1 . VAL 22 22 6540 1 . ASP 23 23 6540 1 . ILE 24 24 6540 1 . LEU 25 25 6540 1 . GLY 26 26 6540 1 . GLU 27 27 6540 1 . LYS 28 28 6540 1 . PHE 29 29 6540 1 . GLY 30 30 6540 1 . ILE 31 31 6540 1 . GLY 32 32 6540 1 . LEU 33 33 6540 1 . PRO 34 34 6540 1 . ILE 35 35 6540 1 . LEU 36 36 6540 1 . PHE 37 37 6540 1 . LEU 38 38 6540 1 . ARG 39 39 6540 1 . GLY 40 40 6540 1 . SER 41 41 6540 1 . ASN 42 42 6540 1 . SER 43 43 6540 1 . GLN 44 44 6540 1 . ARG 45 45 6540 1 . LEU 46 46 6540 1 . ALA 47 47 6540 1 . ASP 48 48 6540 1 . GLN 49 49 6540 1 . TYR 50 50 6540 1 . ARG 51 51 6540 1 . ARG 52 52 6540 1 . HIS 53 53 6540 1 . SER 54 54 6540 1 . LEU 55 55 6540 1 . PHE 56 56 6540 1 . GLY 57 57 6540 1 . THR 58 58 6540 1 . GLY 59 59 6540 1 . LYS 60 60 6540 1 . ASP 61 61 6540 1 . GLN 62 62 6540 1 . THR 63 63 6540 1 . GLU 64 64 6540 1 . SER 65 65 6540 1 . TRP 66 66 6540 1 . TRP 67 67 6540 1 . LYS 68 68 6540 1 . ALA 69 69 6540 1 . PHE 70 70 6540 1 . SER 71 71 6540 1 . ARG 72 72 6540 1 . GLN 73 73 6540 1 . LEU 74 74 6540 1 . ILE 75 75 6540 1 . THR 76 76 6540 1 . GLY 77 77 6540 1 . GLY 78 78 6540 1 . PHE 79 79 6540 1 . LEU 80 80 6540 1 . VAL 81 81 6540 1 . GLU 82 82 6540 1 . VAL 83 83 6540 1 . SER 84 84 6540 1 . ARG 85 85 6540 1 . TYR 86 86 6540 1 . ASN 87 87 6540 1 . LYS 88 88 6540 1 . PHE 89 89 6540 1 . MET 90 90 6540 1 . LYS 91 91 6540 1 . ILE 92 92 6540 1 . CYS 93 93 6540 1 . ALA 94 94 6540 1 . LEU 95 95 6540 1 . THR 96 96 6540 1 . LYS 97 97 6540 1 . LYS 98 98 6540 1 . GLY 99 99 6540 1 . ARG 100 100 6540 1 . ASN 101 101 6540 1 . TRP 102 102 6540 1 . LEU 103 103 6540 1 . HIS 104 104 6540 1 . LYS 105 105 6540 1 . ALA 106 106 6540 1 . ASN 107 107 6540 1 . THR 108 108 6540 1 . GLU 109 109 6540 1 . SER 110 110 6540 1 . GLN 111 111 6540 1 . SER 112 112 6540 1 . LEU 113 113 6540 1 . ILE 114 114 6540 1 . LEU 115 115 6540 1 . GLN 116 116 6540 1 . ALA 117 117 6540 1 . ASN 118 118 6540 1 . GLU 119 119 6540 1 . GLU 120 120 6540 1 . LEU 121 121 6540 1 . CYS 122 122 6540 1 . PRO 123 123 6540 1 . LYS 124 124 6540 1 . LYS 125 125 6540 1 . LEU 126 126 6540 1 . LEU 127 127 6540 1 . LEU 128 128 6540 1 . PRO 129 129 6540 1 . SER 130 130 6540 1 . SER 131 131 6540 1 . LYS 132 132 6540 1 . THR 133 133 6540 1 . VAL 134 134 6540 1 . SER 135 135 6540 1 . SER 136 136 6540 1 . GLY 137 137 6540 1 . THR 138 138 6540 1 . LYS 139 139 6540 1 . GLU 140 140 6540 1 . HIS 141 141 6540 1 . CYS 142 142 6540 1 . TYR 143 143 6540 1 . ASN 144 144 6540 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 6540 _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 $WH_domain_of_WRN . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6540 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 6540 _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 $WH_domain_of_WRN . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 6540 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6540 _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 'The winged-helix domain of WRN' '[U-95% 15N]' . . 1 $WH_domain_of_WRN . . 0.45 0.29 0.47 mM . . . . 6540 1 2 'potassium phosphate buffer' . . . . . . . 25 . . mM . . . . 6540 1 3 NaCl . . . . . . . 25 . . mM . . . . 6540 1 4 EDTA . . . . . . . 1 . . mM . . . . 6540 1 5 NaZ3 . . . . . . . 0.05 . . % . . . . 6540 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6540 _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 'The winged-helix domain of WRN' '[U-98% 15N]' . . 1 $WH_domain_of_WRN . . 0.45 0.40 0.50 mM . . . . 6540 2 2 'potassium phosphate buffer' . . . . . . . 25 . . mM . . . . 6540 2 3 NaCl . . . . . . . 25 . . mM . . . . 6540 2 4 EDTA . . . . . . . 1 . . mM . . . . 6540 2 5 NaZ3 . . . . . . . 0.05 . . % . . . . 6540 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6540 _Sample.ID 3 _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 'The winged-helix domain of WRN' '[U-95% 13C; U-95% 15N]' . . 1 $WH_domain_of_WRN . . 0.45 0.40 0.50 mM . . . . 6540 3 2 'potassium phosphate buffer' . . . . . . . 25 . . mM . . . . 6540 3 3 NaCl . . . . . . . 25 . . mM . . . . 6540 3 4 EDTA . . . . . . . 1 . . mM . . . . 6540 3 5 NaZ3 . . . . . . . 0.05 . . % . . . . 6540 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6540 _Sample.ID 4 _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 'The winged-helix domain of WRN' . . . 1 $WH_domain_of_WRN . . 0.29 0.20 0.30 mM . . . . 6540 4 2 'potassium phosphate buffer' . . . . . . . 25 . . mM . . . . 6540 4 3 NaCl . . . . . . . 25 . . mM . . . . 6540 4 4 EDTA . . . . . . . 1 . . mM . . . . 6540 4 5 NaZ3 . . . . . . . 0.05 . . % . . . . 6540 4 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6540 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.36 0.2 pH 6540 1 temperature 295 1 K 6540 1 'ionic strength' 0.025 0.005 M 6540 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6540 _Software.ID 1 _Software.Name NMRPIPE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6540 1 analysis 6540 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 6540 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6540 2 analysis 6540 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6540 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6540 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 6540 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 6540 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 2 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 4 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 5 HNCOCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 6 HNCG_arom . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 7 HN(CO)CG_arom . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 8 HNCG . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 9 HN(CO)C . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 10 HNHA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 11 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 12 DIPSI-H(CCO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 13 DIPSI-C(CCO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 14 HAHB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 15 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 16 HCCH-COSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 17 '1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 18 15N-HOHAHA-HSQC . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 19 15N-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 20 '13C-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 21 '13C-13C NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6540 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCOCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCG_arom _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CG_arom _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCG _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HN(CO)C _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name DIPSI-H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name DIPSI-C(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HAHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name 15N-HOHAHA-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_20 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '13C-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_21 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_21 _NMR_spec_expt.Entry_ID 6540 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name '13C-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6540 _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 DSS 'methyl protons' . . . . ppm 0.00 external indirect 1.0 external spherical parallel . . . . . . 6540 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449519 external spherical parallel . . . . . . 6540 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329112 external spherical parallel . . . . . . 6540 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_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 6540 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6540 1 . . 2 $sample_2 . 6540 1 . . 3 $sample_3 . 6540 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 121.7340 0.25 . 1 . . . . . . . . 6540 1 2 . 1 1 1 1 MET H H 1 8.4790 0.03 . 1 . . . . . . . . 6540 1 3 . 1 1 1 1 MET CA C 13 55.6760 0.50 . 1 . . . . . . . . 6540 1 4 . 1 1 1 1 MET HA H 1 4.4400 0.03 . 1 . . . . . . . . 6540 1 5 . 1 1 1 1 MET CB C 13 32.7070 0.50 . 1 . . . . . . . . 6540 1 6 . 1 1 1 1 MET HB2 H 1 2.0800 0.03 . 2 . . . . . . . . 6540 1 7 . 1 1 1 1 MET HB3 H 1 1.9600 0.03 . 2 . . . . . . . . 6540 1 8 . 1 1 1 1 MET C C 13 176.208 0.50 . 1 . . . . . . . . 6540 1 9 . 1 1 1 1 MET CG C 13 32.1100 0.50 . 1 . . . . . . . . 6540 1 10 . 1 1 1 1 MET HG2 H 1 2.5300 0.03 . 2 . . . . . . . . 6540 1 11 . 1 1 1 1 MET HG3 H 1 2.4700 0.03 . 2 . . . . . . . . 6540 1 12 . 1 1 2 2 ASP N N 15 121.1740 0.25 . 1 . . . . . . . . 6540 1 13 . 1 1 2 2 ASP H H 1 8.2860 0.03 . 1 . . . . . . . . 6540 1 14 . 1 1 2 2 ASP CA C 13 54.4280 0.50 . 1 . . . . . . . . 6540 1 15 . 1 1 2 2 ASP HA H 1 4.5600 0.03 . 1 . . . . . . . . 6540 1 16 . 1 1 2 2 ASP CB C 13 41.2720 0.50 . 1 . . . . . . . . 6540 1 17 . 1 1 2 2 ASP HB2 H 1 2.5800 0.03 . 2 . . . . . . . . 6540 1 18 . 1 1 2 2 ASP C C 13 175.938 0.50 . 1 . . . . . . . . 6540 1 19 . 1 1 3 3 ASP N N 15 120.8620 0.25 . 1 . . . . . . . . 6540 1 20 . 1 1 3 3 ASP H H 1 8.2800 0.03 . 1 . . . . . . . . 6540 1 21 . 1 1 3 3 ASP CA C 13 54.4280 0.50 . 1 . . . . . . . . 6540 1 22 . 1 1 3 3 ASP HA H 1 4.5500 0.03 . 1 . . . . . . . . 6540 1 23 . 1 1 3 3 ASP CB C 13 41.2790 0.50 . 1 . . . . . . . . 6540 1 24 . 1 1 3 3 ASP HB2 H 1 2.6500 0.03 . 2 . . . . . . . . 6540 1 25 . 1 1 3 3 ASP HB3 H 1 2.6200 0.03 . 2 . . . . . . . . 6540 1 26 . 1 1 3 3 ASP C C 13 176.451 0.50 . 1 . . . . . . . . 6540 1 27 . 1 1 4 4 SER N N 15 115.7330 0.25 . 1 . . . . . . . . 6540 1 28 . 1 1 4 4 SER H H 1 8.2560 0.03 . 1 . . . . . . . . 6540 1 29 . 1 1 4 4 SER CA C 13 58.7550 0.50 . 1 . . . . . . . . 6540 1 30 . 1 1 4 4 SER HA H 1 4.3600 0.03 . 1 . . . . . . . . 6540 1 31 . 1 1 4 4 SER CB C 13 63.8310 0.50 . 1 . . . . . . . . 6540 1 32 . 1 1 4 4 SER HB2 H 1 3.8500 0.03 . 2 . . . . . . . . 6540 1 33 . 1 1 4 4 SER C C 13 174.760 0.50 . 1 . . . . . . . . 6540 1 34 . 1 1 5 5 GLU N N 15 122.2640 0.25 . 1 . . . . . . . . 6540 1 35 . 1 1 5 5 GLU H H 1 8.4220 0.03 . 1 . . . . . . . . 6540 1 36 . 1 1 5 5 GLU CA C 13 56.5080 0.50 . 1 . . . . . . . . 6540 1 37 . 1 1 5 5 GLU HA H 1 4.3000 0.03 . 1 . . . . . . . . 6540 1 38 . 1 1 5 5 GLU CB C 13 30.3770 0.50 . 1 . . . . . . . . 6540 1 39 . 1 1 5 5 GLU HB2 H 1 2.0400 0.03 . 2 . . . . . . . . 6540 1 40 . 1 1 5 5 GLU HB3 H 1 1.9400 0.03 . 2 . . . . . . . . 6540 1 41 . 1 1 5 5 GLU C C 13 176.391 0.50 . 1 . . . . . . . . 6540 1 42 . 1 1 5 5 GLU CG C 13 36.4100 0.50 . 1 . . . . . . . . 6540 1 43 . 1 1 5 5 GLU HG2 H 1 2.2200 0.03 . 2 . . . . . . . . 6540 1 44 . 1 1 6 6 ASP N N 15 121.3470 0.25 . 1 . . . . . . . . 6540 1 45 . 1 1 6 6 ASP H H 1 8.3410 0.03 . 1 . . . . . . . . 6540 1 46 . 1 1 6 6 ASP CA C 13 54.4280 0.50 . 1 . . . . . . . . 6540 1 47 . 1 1 6 6 ASP HA H 1 4.6600 0.03 . 1 . . . . . . . . 6540 1 48 . 1 1 6 6 ASP CB C 13 41.3620 0.50 . 1 . . . . . . . . 6540 1 49 . 1 1 6 6 ASP HB2 H 1 2.7000 0.03 . 2 . . . . . . . . 6540 1 50 . 1 1 6 6 ASP HB3 H 1 2.6100 0.03 . 2 . . . . . . . . 6540 1 51 . 1 1 6 6 ASP C C 13 176.584 0.50 . 1 . . . . . . . . 6540 1 52 . 1 1 7 7 THR N N 15 114.4030 0.25 . 1 . . . . . . . . 6540 1 53 . 1 1 7 7 THR H H 1 8.2440 0.03 . 1 . . . . . . . . 6540 1 54 . 1 1 7 7 THR CA C 13 61.5840 0.50 . 1 . . . . . . . . 6540 1 55 . 1 1 7 7 THR HA H 1 4.4000 0.03 . 1 . . . . . . . . 6540 1 56 . 1 1 7 7 THR CB C 13 69.3240 0.50 . 1 . . . . . . . . 6540 1 57 . 1 1 7 7 THR HB H 1 4.3600 0.03 . 1 . . . . . . . . 6540 1 58 . 1 1 7 7 THR C C 13 177.251 0.50 . 1 . . . . . . . . 6540 1 59 . 1 1 7 7 THR CG2 C 13 21.5500 0.50 . 1 . . . . . . . . 6540 1 60 . 1 1 7 7 THR HG21 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 61 . 1 1 7 7 THR HG22 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 62 . 1 1 7 7 THR HG23 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 63 . 1 1 8 8 SER N N 15 118.4200 0.25 . 1 . . . . . . . . 6540 1 64 . 1 1 8 8 SER H H 1 8.1720 0.03 . 1 . . . . . . . . 6540 1 65 . 1 1 8 8 SER CA C 13 58.5050 0.50 . 1 . . . . . . . . 6540 1 66 . 1 1 8 8 SER HA H 1 4.7900 0.03 . 1 . . . . . . . . 6540 1 67 . 1 1 8 8 SER CB C 13 64.6640 0.50 . 1 . . . . . . . . 6540 1 68 . 1 1 8 8 SER HB2 H 1 3.6600 0.03 . 2 . . . . . . . . 6540 1 69 . 1 1 8 8 SER C C 13 173.221 0.50 . 1 . . . . . . . . 6540 1 70 . 1 1 9 9 TRP N N 15 123.1150 0.25 . 1 . . . . . . . . 6540 1 71 . 1 1 9 9 TRP H H 1 8.7230 0.03 . 1 . . . . . . . . 6540 1 72 . 1 1 9 9 TRP CA C 13 56.5080 0.50 . 1 . . . . . . . . 6540 1 73 . 1 1 9 9 TRP HA H 1 4.4200 0.03 . 1 . . . . . . . . 6540 1 74 . 1 1 9 9 TRP CB C 13 32.2910 0.50 . 1 . . . . . . . . 6540 1 75 . 1 1 9 9 TRP HB2 H 1 2.8300 0.03 . 2 . . . . . . . . 6540 1 76 . 1 1 9 9 TRP C C 13 175.891 0.50 . 1 . . . . . . . . 6540 1 77 . 1 1 9 9 TRP NE1 N 15 129.201 0.25 . 1 . . . . . . . . 6540 1 78 . 1 1 9 9 TRP HE1 H 1 10.423 0.03 . 1 . . . . . . . . 6540 1 79 . 1 1 9 9 TRP CZ2 C 13 114.85 0.50 . 1 . . . . . . . . 6540 1 80 . 1 1 9 9 TRP HZ2 H 1 7.68 0.03 . 1 . . . . . . . . 6540 1 81 . 1 1 9 9 TRP CH2 C 13 121.72 0.50 . 1 . . . . . . . . 6540 1 82 . 1 1 9 9 TRP HH2 H 1 7.02 0.03 . 1 . . . . . . . . 6540 1 83 . 1 1 9 9 TRP CZ3 C 13 124.22 0.50 . 1 . . . . . . . . 6540 1 84 . 1 1 9 9 TRP HZ3 H 1 7.50 0.03 . 1 . . . . . . . . 6540 1 85 . 1 1 9 9 TRP CE3 C 13 122.38 0.50 . 1 . . . . . . . . 6540 1 86 . 1 1 9 9 TRP HE3 H 1 7.45 0.03 . 1 . . . . . . . . 6540 1 87 . 1 1 10 10 ASP N N 15 121.1740 0.25 . 1 . . . . . . . . 6540 1 88 . 1 1 10 10 ASP H H 1 8.2860 0.03 . 1 . . . . . . . . 6540 1 89 . 1 1 10 10 ASP CA C 13 54.4280 0.50 . 1 . . . . . . . . 6540 1 90 . 1 1 10 10 ASP HA H 1 4.5500 0.03 . 1 . . . . . . . . 6540 1 91 . 1 1 10 10 ASP CB C 13 41.2720 0.50 . 1 . . . . . . . . 6540 1 92 . 1 1 10 10 ASP HB2 H 1 2.7000 0.03 . 2 . . . . . . . . 6540 1 93 . 1 1 10 10 ASP HB3 H 1 2.6200 0.03 . 2 . . . . . . . . 6540 1 94 . 1 1 10 10 ASP C C 13 174.500 0.50 . 1 . . . . . . . . 6540 1 95 . 1 1 11 11 PHE N N 15 112.1040 0.25 . 1 . . . . . . . . 6540 1 96 . 1 1 11 11 PHE H H 1 7.4780 0.03 . 1 . . . . . . . . 6540 1 97 . 1 1 11 11 PHE CA C 13 54.8420 0.50 . 1 . . . . . . . . 6540 1 98 . 1 1 11 11 PHE HA H 1 4.5000 0.03 . 1 . . . . . . . . 6540 1 99 . 1 1 11 11 PHE CB C 13 40.4080 0.50 . 1 . . . . . . . . 6540 1 100 . 1 1 11 11 PHE HB2 H 1 2.8900 0.03 . 2 . . . . . . . . 6540 1 101 . 1 1 11 11 PHE C C 13 175.96 0.50 . 1 . . . . . . . . 6540 1 102 . 1 1 11 11 PHE CD1 C 13 133.29 0.50 . 3 . . . . . . . . 6540 1 103 . 1 1 11 11 PHE HD1 H 1 7.08 0.03 . 3 . . . . . . . . 6540 1 104 . 1 1 11 11 PHE CE1 C 13 132.47 0.50 . 3 . . . . . . . . 6540 1 105 . 1 1 11 11 PHE HE1 H 1 7.03 0.03 . 3 . . . . . . . . 6540 1 106 . 1 1 11 11 PHE CZ C 13 132.76 0.50 . 1 . . . . . . . . 6540 1 107 . 1 1 11 11 PHE HZ H 1 7.22 0.03 . 1 . . . . . . . . 6540 1 108 . 1 1 12 12 GLY N N 15 110.1090 0.25 . 1 . . . . . . . . 6540 1 109 . 1 1 12 12 GLY H H 1 9.3540 0.03 . 1 . . . . . . . . 6540 1 110 . 1 1 12 12 GLY CA C 13 49.4340 0.50 . 1 . . . . . . . . 6540 1 111 . 1 1 12 12 GLY C C 13 175.96 0.50 . 1 . . . . . . . . 6540 1 112 . 1 1 13 13 PRO CA C 13 65.8550 0.50 . 1 . . . . . . . . 6540 1 113 . 1 1 13 13 PRO HA H 1 4.3600 0.03 . 1 . . . . . . . . 6540 1 114 . 1 1 13 13 PRO CB C 13 31.9240 0.50 . 1 . . . . . . . . 6540 1 115 . 1 1 13 13 PRO HB2 H 1 2.1000 0.03 . 2 . . . . . . . . 6540 1 116 . 1 1 13 13 PRO C C 13 180.284 0.50 . 1 . . . . . . . . 6540 1 117 . 1 1 13 13 PRO CG C 13 28.7400 0.50 . 1 . . . . . . . . 6540 1 118 . 1 1 13 13 PRO HG2 H 1 1.8100 0.03 . 2 . . . . . . . . 6540 1 119 . 1 1 14 14 GLN N N 15 116.7140 0.25 . 1 . . . . . . . . 6540 1 120 . 1 1 14 14 GLN H H 1 8.1630 0.03 . 1 . . . . . . . . 6540 1 121 . 1 1 14 14 GLN CA C 13 61.0850 0.50 . 1 . . . . . . . . 6540 1 122 . 1 1 14 14 GLN HA H 1 4.4000 0.03 . 1 . . . . . . . . 6540 1 123 . 1 1 14 14 GLN CB C 13 27.4650 0.50 . 1 . . . . . . . . 6540 1 124 . 1 1 14 14 GLN HB2 H 1 1.9600 0.03 . 2 . . . . . . . . 6540 1 125 . 1 1 14 14 GLN HB3 H 1 1.8600 0.03 . 2 . . . . . . . . 6540 1 126 . 1 1 14 14 GLN C C 13 178.765 0.50 . 1 . . . . . . . . 6540 1 127 . 1 1 14 14 GLN CG C 13 33.1600 0.50 . 1 . . . . . . . . 6540 1 128 . 1 1 14 14 GLN HG2 H 1 2.2500 0.03 . 2 . . . . . . . . 6540 1 129 . 1 1 14 14 GLN NE2 N 15 111.3540 0.25 . 1 . . . . . . . . 6540 1 130 . 1 1 14 14 GLN HE21 H 1 7.0230 0.03 . 1 . . . . . . . . 6540 1 131 . 1 1 14 14 GLN HE22 H 1 6.7930 0.03 . 1 . . . . . . . . 6540 1 132 . 1 1 15 15 ALA N N 15 123.7440 0.25 . 1 . . . . . . . . 6540 1 133 . 1 1 15 15 ALA H H 1 9.5110 0.03 . 1 . . . . . . . . 6540 1 134 . 1 1 15 15 ALA CA C 13 55.6760 0.50 . 1 . . . . . . . . 6540 1 135 . 1 1 15 15 ALA HA H 1 4.1900 0.03 . 1 . . . . . . . . 6540 1 136 . 1 1 15 15 ALA CB C 13 19.2260 0.50 . 1 . . . . . . . . 6540 1 137 . 1 1 15 15 ALA HB1 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 138 . 1 1 15 15 ALA HB2 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 139 . 1 1 15 15 ALA HB3 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 140 . 1 1 15 15 ALA C C 13 178.741 0.50 . 1 . . . . . . . . 6540 1 141 . 1 1 16 16 PHE N N 15 118.0280 0.25 . 1 . . . . . . . . 6540 1 142 . 1 1 16 16 PHE H H 1 9.2660 0.03 . 1 . . . . . . . . 6540 1 143 . 1 1 16 16 PHE CA C 13 62.9160 0.50 . 1 . . . . . . . . 6540 1 144 . 1 1 16 16 PHE HA H 1 4.3300 0.03 . 1 . . . . . . . . 6540 1 145 . 1 1 16 16 PHE CB C 13 39.4400 0.50 . 1 . . . . . . . . 6540 1 146 . 1 1 16 16 PHE HB2 H 1 2.9900 0.03 . 2 . . . . . . . . 6540 1 147 . 1 1 16 16 PHE C C 13 178.664 0.50 . 1 . . . . . . . . 6540 1 148 . 1 1 16 16 PHE CD1 C 13 132.74 0.50 . 3 . . . . . . . . 6540 1 149 . 1 1 16 16 PHE HD1 H 1 7.30 0.03 . 3 . . . . . . . . 6540 1 150 . 1 1 16 16 PHE CE1 C 13 132.08 0.50 . 3 . . . . . . . . 6540 1 151 . 1 1 16 16 PHE HE1 H 1 7.40 0.03 . 3 . . . . . . . . 6540 1 152 . 1 1 16 16 PHE CZ C 13 131.55 0.50 . 1 . . . . . . . . 6540 1 153 . 1 1 16 16 PHE HZ H 1 7.38 0.03 . 1 . . . . . . . . 6540 1 154 . 1 1 17 17 LYS N N 15 118.8860 0.25 . 1 . . . . . . . . 6540 1 155 . 1 1 17 17 LYS H H 1 7.7180 0.03 . 1 . . . . . . . . 6540 1 156 . 1 1 17 17 LYS CA C 13 60.9050 0.50 . 1 . . . . . . . . 6540 1 157 . 1 1 17 17 LYS HA H 1 4.3200 0.03 . 1 . . . . . . . . 6540 1 158 . 1 1 17 17 LYS CB C 13 33.1850 0.50 . 1 . . . . . . . . 6540 1 159 . 1 1 17 17 LYS HB2 H 1 1.6900 0.03 . 2 . . . . . . . . 6540 1 160 . 1 1 17 17 LYS C C 13 177.135 0.50 . 1 . . . . . . . . 6540 1 161 . 1 1 17 17 LYS CG C 13 26.8300 0.50 . 1 . . . . . . . . 6540 1 162 . 1 1 17 17 LYS HG2 H 1 1.3500 0.03 . 2 . . . . . . . . 6540 1 163 . 1 1 17 17 LYS CD C 13 28.5100 0.50 . 1 . . . . . . . . 6540 1 164 . 1 1 17 17 LYS HD2 H 1 1.6000 0.03 . 1 . . . . . . . . 6540 1 165 . 1 1 17 17 LYS CE C 13 41.9100 0.50 . 1 . . . . . . . . 6540 1 166 . 1 1 17 17 LYS HE2 H 1 2.8900 0.03 . 1 . . . . . . . . 6540 1 167 . 1 1 18 18 LEU N N 15 118.0590 0.25 . 1 . . . . . . . . 6540 1 168 . 1 1 18 18 LEU H H 1 8.3990 0.03 . 1 . . . . . . . . 6540 1 169 . 1 1 18 18 LEU CA C 13 58.1720 0.50 . 1 . . . . . . . . 6540 1 170 . 1 1 18 18 LEU HA H 1 4.0700 0.03 . 1 . . . . . . . . 6540 1 171 . 1 1 18 18 LEU CB C 13 41.9450 0.50 . 1 . . . . . . . . 6540 1 172 . 1 1 18 18 LEU HB3 H 1 1.8300 0.03 . 2 . . . . . . . . 6540 1 173 . 1 1 18 18 LEU C C 13 177.859 0.50 . 1 . . . . . . . . 6540 1 174 . 1 1 18 18 LEU CG C 13 27.5500 0.50 . 1 . . . . . . . . 6540 1 175 . 1 1 18 18 LEU HG H 1 2.0400 0.03 . 1 . . . . . . . . 6540 1 176 . 1 1 18 18 LEU CD1 C 13 26.5900 0.50 . 1 . . . . . . . . 6540 1 177 . 1 1 18 18 LEU HD11 H 1 0.9000 0.03 . 2 . . . . . . . . 6540 1 178 . 1 1 18 18 LEU HD12 H 1 0.9000 0.03 . 2 . . . . . . . . 6540 1 179 . 1 1 18 18 LEU HD13 H 1 0.9000 0.03 . 2 . . . . . . . . 6540 1 180 . 1 1 18 18 LEU CD2 C 13 21.2000 0.50 . 1 . . . . . . . . 6540 1 181 . 1 1 18 18 LEU HD21 H 1 0.8100 0.03 . 2 . . . . . . . . 6540 1 182 . 1 1 18 18 LEU HD22 H 1 0.8100 0.03 . 2 . . . . . . . . 6540 1 183 . 1 1 18 18 LEU HD23 H 1 0.8100 0.03 . 2 . . . . . . . . 6540 1 184 . 1 1 19 19 LEU N N 15 117.1690 0.25 . 1 . . . . . . . . 6540 1 185 . 1 1 19 19 LEU H H 1 9.1340 0.03 . 1 . . . . . . . . 6540 1 186 . 1 1 19 19 LEU CA C 13 58.8380 0.50 . 1 . . . . . . . . 6540 1 187 . 1 1 19 19 LEU HA H 1 3.8100 0.03 . 1 . . . . . . . . 6540 1 188 . 1 1 19 19 LEU CB C 13 40.2800 0.50 . 1 . . . . . . . . 6540 1 189 . 1 1 19 19 LEU HB3 H 1 1.4600 0.03 . 2 . . . . . . . . 6540 1 190 . 1 1 19 19 LEU C C 13 178.962 0.50 . 1 . . . . . . . . 6540 1 191 . 1 1 19 19 LEU CG C 13 28.0200 0.50 . 1 . . . . . . . . 6540 1 192 . 1 1 19 19 LEU HG H 1 1.7400 0.03 . 1 . . . . . . . . 6540 1 193 . 1 1 19 19 LEU CD1 C 13 25.6300 0.50 . 1 . . . . . . . . 6540 1 194 . 1 1 19 19 LEU HD11 H 1 0.7400 0.03 . 2 . . . . . . . . 6540 1 195 . 1 1 19 19 LEU HD12 H 1 0.7400 0.03 . 2 . . . . . . . . 6540 1 196 . 1 1 19 19 LEU HD13 H 1 0.7400 0.03 . 2 . . . . . . . . 6540 1 197 . 1 1 19 19 LEU CD2 C 13 21.2000 0.50 . 1 . . . . . . . . 6540 1 198 . 1 1 19 19 LEU HD21 H 1 0.6900 0.03 . 2 . . . . . . . . 6540 1 199 . 1 1 19 19 LEU HD22 H 1 0.6900 0.03 . 2 . . . . . . . . 6540 1 200 . 1 1 19 19 LEU HD23 H 1 0.6900 0.03 . 2 . . . . . . . . 6540 1 201 . 1 1 20 20 SER N N 15 112.3770 0.25 . 1 . . . . . . . . 6540 1 202 . 1 1 20 20 SER H H 1 7.6370 0.03 . 1 . . . . . . . . 6540 1 203 . 1 1 20 20 SER CA C 13 62.9280 0.50 . 1 . . . . . . . . 6540 1 204 . 1 1 20 20 SER HA H 1 4.0100 0.03 . 1 . . . . . . . . 6540 1 205 . 1 1 20 20 SER CB C 13 62.9280 0.50 . 1 . . . . . . . . 6540 1 206 . 1 1 20 20 SER HB3 H 1 3.7800 0.03 . 2 . . . . . . . . 6540 1 207 . 1 1 20 20 SER C C 13 174.934 0.50 . 1 . . . . . . . . 6540 1 208 . 1 1 21 21 ALA N N 15 123.2350 0.25 . 1 . . . . . . . . 6540 1 209 . 1 1 21 21 ALA H H 1 8.0990 0.03 . 1 . . . . . . . . 6540 1 210 . 1 1 21 21 ALA CA C 13 55.3730 0.50 . 1 . . . . . . . . 6540 1 211 . 1 1 21 21 ALA HA H 1 3.4800 0.03 . 1 . . . . . . . . 6540 1 212 . 1 1 21 21 ALA CB C 13 18.9560 0.50 . 1 . . . . . . . . 6540 1 213 . 1 1 21 21 ALA HB1 H 1 1.4200 0.03 . 1 . . . . . . . . 6540 1 214 . 1 1 21 21 ALA HB2 H 1 1.4200 0.03 . 1 . . . . . . . . 6540 1 215 . 1 1 21 21 ALA HB3 H 1 1.4200 0.03 . 1 . . . . . . . . 6540 1 216 . 1 1 21 21 ALA C C 13 178.288 0.50 . 1 . . . . . . . . 6540 1 217 . 1 1 22 22 VAL N N 15 116.7890 0.25 . 1 . . . . . . . . 6540 1 218 . 1 1 22 22 VAL H H 1 8.0220 0.03 . 1 . . . . . . . . 6540 1 219 . 1 1 22 22 VAL CA C 13 66.8850 0.50 . 1 . . . . . . . . 6540 1 220 . 1 1 22 22 VAL HA H 1 4.1400 0.03 . 1 . . . . . . . . 6540 1 221 . 1 1 22 22 VAL CB C 13 31.7820 0.50 . 1 . . . . . . . . 6540 1 222 . 1 1 22 22 VAL HB H 1 2.0600 0.03 . 1 . . . . . . . . 6540 1 223 . 1 1 22 22 VAL C C 13 177.891 0.50 . 1 . . . . . . . . 6540 1 224 . 1 1 22 22 VAL CG1 C 13 22.5100 0.50 . 1 . . . . . . . . 6540 1 225 . 1 1 22 22 VAL HG11 H 1 0.8800 0.03 . 2 . . . . . . . . 6540 1 226 . 1 1 22 22 VAL HG12 H 1 0.8800 0.03 . 2 . . . . . . . . 6540 1 227 . 1 1 22 22 VAL HG13 H 1 0.8800 0.03 . 2 . . . . . . . . 6540 1 228 . 1 1 23 23 ASP N N 15 118.9730 0.25 . 1 . . . . . . . . 6540 1 229 . 1 1 23 23 ASP H H 1 7.5530 0.03 . 1 . . . . . . . . 6540 1 230 . 1 1 23 23 ASP CA C 13 57.7710 0.50 . 1 . . . . . . . . 6540 1 231 . 1 1 23 23 ASP HA H 1 4.2500 0.03 . 1 . . . . . . . . 6540 1 232 . 1 1 23 23 ASP CB C 13 42.8940 0.50 . 1 . . . . . . . . 6540 1 233 . 1 1 23 23 ASP HB2 H 1 2.5300 0.03 . 2 . . . . . . . . 6540 1 234 . 1 1 23 23 ASP HB3 H 1 2.4200 0.03 . 2 . . . . . . . . 6540 1 235 . 1 1 23 23 ASP C C 13 175.94 0.50 . 1 . . . . . . . . 6540 1 236 . 1 1 24 24 ILE N N 15 120.3220 0.25 . 1 . . . . . . . . 6540 1 237 . 1 1 24 24 ILE H H 1 7.8780 0.03 . 1 . . . . . . . . 6540 1 238 . 1 1 24 24 ILE CA C 13 62.8540 0.50 . 1 . . . . . . . . 6540 1 239 . 1 1 24 24 ILE HA H 1 4.1400 0.03 . 1 . . . . . . . . 6540 1 240 . 1 1 24 24 ILE CB C 13 41.3000 0.50 . 1 . . . . . . . . 6540 1 241 . 1 1 24 24 ILE HB H 1 2.0100 0.03 . 1 . . . . . . . . 6540 1 242 . 1 1 24 24 ILE C C 13 174.933 0.50 . 1 . . . . . . . . 6540 1 243 . 1 1 24 24 ILE CG1 C 13 24.91 0.50 . 1 . . . . . . . . 6540 1 244 . 1 1 24 24 ILE HG12 H 1 1.1100 0.03 . 2 . . . . . . . . 6540 1 245 . 1 1 24 24 ILE HG13 H 1 0.8600 0.03 . 2 . . . . . . . . 6540 1 246 . 1 1 24 24 ILE CG2 C 13 13.4000 0.50 . 1 . . . . . . . . 6540 1 247 . 1 1 24 24 ILE HG21 H 1 0.3800 0.03 . 1 . . . . . . . . 6540 1 248 . 1 1 24 24 ILE HG22 H 1 0.3800 0.03 . 1 . . . . . . . . 6540 1 249 . 1 1 24 24 ILE HG23 H 1 0.3800 0.03 . 1 . . . . . . . . 6540 1 250 . 1 1 24 24 ILE CD1 C 13 8.8700 0.50 . 1 . . . . . . . . 6540 1 251 . 1 1 24 24 ILE HD11 H 1 -0.07 0.03 . 1 . . . . . . . . 6540 1 252 . 1 1 24 24 ILE HD12 H 1 -0.07 0.03 . 1 . . . . . . . . 6540 1 253 . 1 1 24 24 ILE HD13 H 1 -0.07 0.03 . 1 . . . . . . . . 6540 1 254 . 1 1 25 25 LEU N N 15 123.4800 0.25 . 1 . . . . . . . . 6540 1 255 . 1 1 25 25 LEU H H 1 8.0950 0.03 . 1 . . . . . . . . 6540 1 256 . 1 1 25 25 LEU CA C 13 54.8720 0.50 . 1 . . . . . . . . 6540 1 257 . 1 1 25 25 LEU HA H 1 4.3100 0.03 . 1 . . . . . . . . 6540 1 258 . 1 1 25 25 LEU CB C 13 42.3200 0.50 . 1 . . . . . . . . 6540 1 259 . 1 1 25 25 LEU HB2 H 1 1.5900 0.03 . 2 . . . . . . . . 6540 1 260 . 1 1 25 25 LEU C C 13 177.63 0.50 . 1 . . . . . . . . 6540 1 261 . 1 1 25 25 LEU CG C 13 26.7500 0.50 . 1 . . . . . . . . 6540 1 262 . 1 1 25 25 LEU HG H 1 1.3500 0.03 . 1 . . . . . . . . 6540 1 263 . 1 1 25 25 LEU CD1 C 13 25.1900 0.50 . 1 . . . . . . . . 6540 1 264 . 1 1 25 25 LEU HD11 H 1 0.4200 0.03 . 2 . . . . . . . . 6540 1 265 . 1 1 25 25 LEU HD12 H 1 0.4200 0.03 . 2 . . . . . . . . 6540 1 266 . 1 1 25 25 LEU HD13 H 1 0.4200 0.03 . 2 . . . . . . . . 6540 1 267 . 1 1 25 25 LEU CD2 C 13 22.6900 0.50 . 1 . . . . . . . . 6540 1 268 . 1 1 25 25 LEU HD21 H 1 0.0000 0.03 . 2 . . . . . . . . 6540 1 269 . 1 1 25 25 LEU HD22 H 1 0.0000 0.03 . 2 . . . . . . . . 6540 1 270 . 1 1 25 25 LEU HD23 H 1 0.0000 0.03 . 2 . . . . . . . . 6540 1 271 . 1 1 26 26 GLY N N 15 106.7850 0.25 . 1 . . . . . . . . 6540 1 272 . 1 1 26 26 GLY H H 1 7.9640 0.03 . 1 . . . . . . . . 6540 1 273 . 1 1 26 26 GLY CA C 13 46.6050 0.50 . 1 . . . . . . . . 6540 1 274 . 1 1 26 26 GLY HA2 H 1 4.4200 0.03 . 2 . . . . . . . . 6540 1 275 . 1 1 26 26 GLY C C 13 174.7996 0.50 . 1 . . . . . . . . 6540 1 276 . 1 1 27 27 GLU N N 15 115.1580 0.25 . 1 . . . . . . . . 6540 1 277 . 1 1 27 27 GLU H H 1 8.4030 0.03 . 1 . . . . . . . . 6540 1 278 . 1 1 27 27 GLU CA C 13 57.8750 0.50 . 1 . . . . . . . . 6540 1 279 . 1 1 27 27 GLU HA H 1 3.9100 0.03 . 1 . . . . . . . . 6540 1 280 . 1 1 27 27 GLU CB C 13 28.3200 0.50 . 1 . . . . . . . . 6540 1 281 . 1 1 27 27 GLU HB2 H 1 2.0100 0.03 . 2 . . . . . . . . 6540 1 282 . 1 1 27 27 GLU C C 13 175.22 0.50 . 1 . . . . . . . . 6540 1 283 . 1 1 27 27 GLU HG2 H 1 2.1600 0.03 . 2 . . . . . . . . 6540 1 284 . 1 1 28 28 LYS N N 15 111.8810 0.25 . 1 . . . . . . . . 6540 1 285 . 1 1 28 28 LYS H H 1 7.0270 0.03 . 1 . . . . . . . . 6540 1 286 . 1 1 28 28 LYS CA C 13 55.7860 0.50 . 1 . . . . . . . . 6540 1 287 . 1 1 28 28 LYS HA H 1 4.2800 0.03 . 1 . . . . . . . . 6540 1 288 . 1 1 28 28 LYS CB C 13 33.6020 0.50 . 1 . . . . . . . . 6540 1 289 . 1 1 28 28 LYS HB2 H 1 1.7200 0.03 . 2 . . . . . . . . 6540 1 290 . 1 1 28 28 LYS C C 13 175.019 0.50 . 1 . . . . . . . . 6540 1 291 . 1 1 28 28 LYS CG C 13 22.7700 0.50 . 1 . . . . . . . . 6540 1 292 . 1 1 28 28 LYS HG2 H 1 1.3500 0.03 . 2 . . . . . . . . 6540 1 293 . 1 1 28 28 LYS CD C 13 26.6500 0.50 . 1 . . . . . . . . 6540 1 294 . 1 1 28 28 LYS HD2 H 1 1.6000 0.03 . 2 . . . . . . . . 6540 1 295 . 1 1 28 28 LYS CE C 13 40.3400 0.50 . 1 . . . . . . . . 6540 1 296 . 1 1 28 28 LYS HE2 H 1 2.9000 0.03 . 2 . . . . . . . . 6540 1 297 . 1 1 29 29 PHE N N 15 115.2230 0.25 . 1 . . . . . . . . 6540 1 298 . 1 1 29 29 PHE H H 1 7.3930 0.03 . 1 . . . . . . . . 6540 1 299 . 1 1 29 29 PHE CA C 13 56.4670 0.50 . 1 . . . . . . . . 6540 1 300 . 1 1 29 29 PHE HA H 1 4.3500 0.03 . 1 . . . . . . . . 6540 1 301 . 1 1 29 29 PHE CB C 13 44.5490 0.50 . 1 . . . . . . . . 6540 1 302 . 1 1 29 29 PHE HB3 H 1 2.6600 0.03 . 2 . . . . . . . . 6540 1 303 . 1 1 29 29 PHE C C 13 175.02 0.50 . 1 . . . . . . . . 6540 1 304 . 1 1 29 29 PHE CD1 C 13 133.10 0.50 . 3 . . . . . . . . 6540 1 305 . 1 1 29 29 PHE HD1 H 1 7.02 0.03 . 3 . . . . . . . . 6540 1 306 . 1 1 29 29 PHE CE1 C 13 131.44 0.50 . 3 . . . . . . . . 6540 1 307 . 1 1 29 29 PHE HE1 H 1 6.85 0.03 . 3 . . . . . . . . 6540 1 308 . 1 1 29 29 PHE CZ C 13 131.39 0.50 . 1 . . . . . . . . 6540 1 309 . 1 1 29 29 PHE HZ H 1 6.75 0.03 . 1 . . . . . . . . 6540 1 310 . 1 1 30 30 GLY CA C 13 45.7110 0.50 . 1 . . . . . . . . 6540 1 311 . 1 1 30 30 GLY HA2 H 1 3.7200 0.03 . 2 . . . . . . . . 6540 1 312 . 1 1 30 30 GLY C C 13 173.340 0.50 . 1 . . . . . . . . 6540 1 313 . 1 1 31 31 ILE N N 15 118.6870 0.25 . 1 . . . . . . . . 6540 1 314 . 1 1 31 31 ILE H H 1 8.7790 0.03 . 1 . . . . . . . . 6540 1 315 . 1 1 31 31 ILE CA C 13 59.2540 0.50 . 1 . . . . . . . . 6540 1 316 . 1 1 31 31 ILE HA H 1 4.0400 0.03 . 1 . . . . . . . . 6540 1 317 . 1 1 31 31 ILE CB C 13 39.6890 0.50 . 1 . . . . . . . . 6540 1 318 . 1 1 31 31 ILE HB H 1 1.8500 0.03 . 1 . . . . . . . . 6540 1 319 . 1 1 31 31 ILE C C 13 175.08 0.50 . 1 . . . . . . . . 6540 1 320 . 1 1 31 31 ILE CG1 C 13 28.7800 0.50 . 1 . . . . . . . . 6540 1 321 . 1 1 31 31 ILE HG12 H 1 1.2700 0.03 . 2 . . . . . . . . 6540 1 322 . 1 1 31 31 ILE CG2 C 13 13.4000 0.50 . 1 . . . . . . . . 6540 1 323 . 1 1 31 31 ILE HG21 H 1 1.1500 0.03 . 1 . . . . . . . . 6540 1 324 . 1 1 31 31 ILE HG22 H 1 1.1500 0.03 . 1 . . . . . . . . 6540 1 325 . 1 1 31 31 ILE HG23 H 1 1.1500 0.03 . 1 . . . . . . . . 6540 1 326 . 1 1 31 31 ILE CD1 C 13 8.8700 0.50 . 1 . . . . . . . . 6540 1 327 . 1 1 31 31 ILE HD11 H 1 0.8700 0.03 . 1 . . . . . . . . 6540 1 328 . 1 1 31 31 ILE HD12 H 1 0.8700 0.03 . 1 . . . . . . . . 6540 1 329 . 1 1 31 31 ILE HD13 H 1 0.8700 0.03 . 1 . . . . . . . . 6540 1 330 . 1 1 32 32 GLY N N 15 108.7180 0.25 . 1 . . . . . . . . 6540 1 331 . 1 1 32 32 GLY H H 1 8.6660 0.03 . 1 . . . . . . . . 6540 1 332 . 1 1 32 32 GLY CA C 13 47.0110 0.50 . 1 . . . . . . . . 6540 1 333 . 1 1 32 32 GLY HA2 H 1 3.8100 0.03 . 2 . . . . . . . . 6540 1 334 . 1 1 32 32 GLY C C 13 176.139 0.50 . 1 . . . . . . . . 6540 1 335 . 1 1 33 33 LEU N N 15 121.6090 0.25 . 1 . . . . . . . . 6540 1 336 . 1 1 33 33 LEU H H 1 7.5150 0.03 . 1 . . . . . . . . 6540 1 337 . 1 1 33 33 LEU CA C 13 58.6110 0.50 . 1 . . . . . . . . 6540 1 338 . 1 1 33 33 LEU HA H 1 4.2200 0.03 . 1 . . . . . . . . 6540 1 339 . 1 1 33 33 LEU CB C 13 39.2510 0.50 . 1 . . . . . . . . 6540 1 340 . 1 1 33 33 LEU HB3 H 1 1.3500 0.03 . 2 . . . . . . . . 6540 1 341 . 1 1 33 33 LEU C C 13 176.14 0.50 . 1 . . . . . . . . 6540 1 342 . 1 1 33 33 LEU CG C 13 26.2800 0.50 . 1 . . . . . . . . 6540 1 343 . 1 1 33 33 LEU HG H 1 1.1600 0.03 . 1 . . . . . . . . 6540 1 344 . 1 1 33 33 LEU CD1 C 13 25.5000 0.50 . 1 . . . . . . . . 6540 1 345 . 1 1 33 33 LEU HD11 H 1 0.4800 0.03 . 2 . . . . . . . . 6540 1 346 . 1 1 33 33 LEU HD12 H 1 0.4800 0.03 . 2 . . . . . . . . 6540 1 347 . 1 1 33 33 LEU HD13 H 1 0.4800 0.03 . 2 . . . . . . . . 6540 1 348 . 1 1 33 33 LEU CD2 C 13 21.2000 0.50 . 1 . . . . . . . . 6540 1 349 . 1 1 33 33 LEU HD21 H 1 0.2500 0.03 . 2 . . . . . . . . 6540 1 350 . 1 1 33 33 LEU HD22 H 1 0.2500 0.03 . 2 . . . . . . . . 6540 1 351 . 1 1 33 33 LEU HD23 H 1 0.2500 0.03 . 2 . . . . . . . . 6540 1 352 . 1 1 34 34 PRO CA C 13 66.7500 0.50 . 1 . . . . . . . . 6540 1 353 . 1 1 34 34 PRO HA H 1 3.8000 0.03 . 1 . . . . . . . . 6540 1 354 . 1 1 34 34 PRO CB C 13 31.0570 0.50 . 1 . . . . . . . . 6540 1 355 . 1 1 34 34 PRO HB2 H 1 1.8000 0.03 . 2 . . . . . . . . 6540 1 356 . 1 1 34 34 PRO C C 13 177.105 0.50 . 1 . . . . . . . . 6540 1 357 . 1 1 35 35 ILE N N 15 115.3510 0.25 . 1 . . . . . . . . 6540 1 358 . 1 1 35 35 ILE H H 1 7.2610 0.03 . 1 . . . . . . . . 6540 1 359 . 1 1 35 35 ILE CA C 13 66.7540 0.50 . 1 . . . . . . . . 6540 1 360 . 1 1 35 35 ILE HA H 1 4.2400 0.03 . 1 . . . . . . . . 6540 1 361 . 1 1 35 35 ILE CB C 13 37.4230 0.50 . 1 . . . . . . . . 6540 1 362 . 1 1 35 35 ILE HB H 1 1.8900 0.03 . 1 . . . . . . . . 6540 1 363 . 1 1 35 35 ILE C C 13 176.855 0.50 . 1 . . . . . . . . 6540 1 364 . 1 1 35 35 ILE HG12 H 1 0.8600 0.03 . 2 . . . . . . . . 6540 1 365 . 1 1 35 35 ILE CG2 C 13 13.4000 0.50 . 1 . . . . . . . . 6540 1 366 . 1 1 35 35 ILE HG21 H 1 0.6300 0.03 . 1 . . . . . . . . 6540 1 367 . 1 1 35 35 ILE HG22 H 1 0.6300 0.03 . 1 . . . . . . . . 6540 1 368 . 1 1 35 35 ILE HG23 H 1 0.6300 0.03 . 1 . . . . . . . . 6540 1 369 . 1 1 35 35 ILE CD1 C 13 8.8700 0.50 . 1 . . . . . . . . 6540 1 370 . 1 1 35 35 ILE HD11 H 1 0.5100 0.03 . 1 . . . . . . . . 6540 1 371 . 1 1 35 35 ILE HD12 H 1 0.5100 0.03 . 1 . . . . . . . . 6540 1 372 . 1 1 35 35 ILE HD13 H 1 0.5100 0.03 . 1 . . . . . . . . 6540 1 373 . 1 1 36 36 LEU N N 15 121.6670 0.25 . 1 . . . . . . . . 6540 1 374 . 1 1 36 36 LEU H H 1 8.1730 0.03 . 1 . . . . . . . . 6540 1 375 . 1 1 36 36 LEU CA C 13 58.6030 0.50 . 1 . . . . . . . . 6540 1 376 . 1 1 36 36 LEU HA H 1 4.2000 0.03 . 1 . . . . . . . . 6540 1 377 . 1 1 36 36 LEU CB C 13 41.2350 0.50 . 1 . . . . . . . . 6540 1 378 . 1 1 36 36 LEU HB3 H 1 2.1500 0.03 . 2 . . . . . . . . 6540 1 379 . 1 1 36 36 LEU C C 13 179.154 0.50 . 1 . . . . . . . . 6540 1 380 . 1 1 36 36 LEU CG C 13 26.8300 0.50 . 1 . . . . . . . . 6540 1 381 . 1 1 36 36 LEU HG H 1 1.2800 0.03 . 1 . . . . . . . . 6540 1 382 . 1 1 36 36 LEU CD1 C 13 25.6600 0.50 . 1 . . . . . . . . 6540 1 383 . 1 1 36 36 LEU HD21 H 1 0.8700 0.03 . 2 . . . . . . . . 6540 1 384 . 1 1 36 36 LEU HD22 H 1 0.8700 0.03 . 2 . . . . . . . . 6540 1 385 . 1 1 36 36 LEU HD23 H 1 0.8700 0.03 . 2 . . . . . . . . 6540 1 386 . 1 1 37 37 PHE N N 15 118.8530 0.25 . 1 . . . . . . . . 6540 1 387 . 1 1 37 37 PHE H H 1 8.3530 0.03 . 1 . . . . . . . . 6540 1 388 . 1 1 37 37 PHE CA C 13 60.4390 0.50 . 1 . . . . . . . . 6540 1 389 . 1 1 37 37 PHE HA H 1 4.3600 0.03 . 1 . . . . . . . . 6540 1 390 . 1 1 37 37 PHE CB C 13 38.3700 0.50 . 1 . . . . . . . . 6540 1 391 . 1 1 37 37 PHE HB2 H 1 3.5600 0.03 . 2 . . . . . . . . 6540 1 392 . 1 1 37 37 PHE C C 13 177.607 0.50 . 1 . . . . . . . . 6540 1 393 . 1 1 38 38 LEU N N 15 121.8680 0.25 . 1 . . . . . . . . 6540 1 394 . 1 1 38 38 LEU H H 1 8.2010 0.03 . 1 . . . . . . . . 6540 1 395 . 1 1 38 38 LEU CA C 13 57.3500 0.50 . 1 . . . . . . . . 6540 1 396 . 1 1 38 38 LEU HA H 1 3.6700 0.03 . 1 . . . . . . . . 6540 1 397 . 1 1 38 38 LEU CB C 13 42.1280 0.50 . 1 . . . . . . . . 6540 1 398 . 1 1 38 38 LEU HB2 H 1 1.6000 0.03 . 2 . . . . . . . . 6540 1 399 . 1 1 38 38 LEU C C 13 179.514 0.50 . 1 . . . . . . . . 6540 1 400 . 1 1 38 38 LEU CG C 13 22.2200 0.50 . 1 . . . . . . . . 6540 1 401 . 1 1 38 38 LEU HG H 1 0.6000 0.03 . 1 . . . . . . . . 6540 1 402 . 1 1 38 38 LEU CD1 C 13 21.4400 0.50 . 1 . . . . . . . . 6540 1 403 . 1 1 38 38 LEU HD21 H 1 -0.3500 0.03 . 2 . . . . . . . . 6540 1 404 . 1 1 38 38 LEU HD22 H 1 -0.3500 0.03 . 2 . . . . . . . . 6540 1 405 . 1 1 38 38 LEU HD23 H 1 -0.3500 0.03 . 2 . . . . . . . . 6540 1 406 . 1 1 39 39 ARG N N 15 114.7140 0.25 . 1 . . . . . . . . 6540 1 407 . 1 1 39 39 ARG H H 1 8.3000 0.03 . 1 . . . . . . . . 6540 1 408 . 1 1 39 39 ARG CA C 13 56.7230 0.50 . 1 . . . . . . . . 6540 1 409 . 1 1 39 39 ARG HA H 1 3.6200 0.03 . 1 . . . . . . . . 6540 1 410 . 1 1 39 39 ARG CB C 13 27.9850 0.50 . 1 . . . . . . . . 6540 1 411 . 1 1 39 39 ARG HB2 H 1 1.9900 0.03 . 2 . . . . . . . . 6540 1 412 . 1 1 39 39 ARG C C 13 175.71 0.50 . 1 . . . . . . . . 6540 1 413 . 1 1 39 39 ARG HG2 H 1 1.8600 0.03 . 2 . . . . . . . . 6540 1 414 . 1 1 39 39 ARG CD C 13 40.7300 0.50 . 1 . . . . . . . . 6540 1 415 . 1 1 39 39 ARG HD2 H 1 3.0900 0.03 . 2 . . . . . . . . 6540 1 416 . 1 1 40 40 GLY N N 15 107.0690 0.25 . 1 . . . . . . . . 6540 1 417 . 1 1 40 40 GLY H H 1 7.2030 0.03 . 1 . . . . . . . . 6540 1 418 . 1 1 40 40 GLY CA C 13 45.7320 0.50 . 1 . . . . . . . . 6540 1 419 . 1 1 40 40 GLY HA2 H 1 3.3700 0.03 . 2 . . . . . . . . 6540 1 420 . 1 1 40 40 GLY C C 13 174.500 0.50 . 1 . . . . . . . . 6540 1 421 . 1 1 41 41 SER N N 15 112.1290 0.25 . 1 . . . . . . . . 6540 1 422 . 1 1 41 41 SER H H 1 7.5980 0.03 . 1 . . . . . . . . 6540 1 423 . 1 1 41 41 SER CA C 13 58.6110 0.50 . 1 . . . . . . . . 6540 1 424 . 1 1 41 41 SER HA H 1 4.4600 0.03 . 1 . . . . . . . . 6540 1 425 . 1 1 41 41 SER CB C 13 65.1750 0.50 . 1 . . . . . . . . 6540 1 426 . 1 1 41 41 SER HB3 H 1 3.8400 0.03 . 2 . . . . . . . . 6540 1 427 . 1 1 41 41 SER C C 13 174.5 0.50 . 1 . . . . . . . . 6540 1 428 . 1 1 42 42 ASN CA C 13 53.2310 0.50 . 1 . . . . . . . . 6540 1 429 . 1 1 42 42 ASN HA H 1 4.7800 0.03 . 1 . . . . . . . . 6540 1 430 . 1 1 42 42 ASN CB C 13 38.1910 0.50 . 1 . . . . . . . . 6540 1 431 . 1 1 42 42 ASN HB2 H 1 2.9200 0.03 . 2 . . . . . . . . 6540 1 432 . 1 1 42 42 ASN C C 13 175.664 0.50 . 1 . . . . . . . . 6540 1 433 . 1 1 42 42 ASN ND2 N 15 111.7740 0.25 . 1 . . . . . . . . 6540 1 434 . 1 1 42 42 ASN HD21 H 1 7.6090 0.03 . 1 . . . . . . . . 6540 1 435 . 1 1 42 42 ASN HD22 H 1 6.8920 0.03 . 1 . . . . . . . . 6540 1 436 . 1 1 43 43 SER N N 15 114.5080 0.25 . 1 . . . . . . . . 6540 1 437 . 1 1 43 43 SER H H 1 8.5050 0.03 . 1 . . . . . . . . 6540 1 438 . 1 1 43 43 SER CA C 13 58.8380 0.50 . 1 . . . . . . . . 6540 1 439 . 1 1 43 43 SER HA H 1 4.3400 0.03 . 1 . . . . . . . . 6540 1 440 . 1 1 43 43 SER CB C 13 64.1640 0.50 . 1 . . . . . . . . 6540 1 441 . 1 1 43 43 SER HB2 H 1 3.8300 0.03 . 2 . . . . . . . . 6540 1 442 . 1 1 43 43 SER C C 13 173.945 0.50 . 1 . . . . . . . . 6540 1 443 . 1 1 44 44 GLN N N 15 122.7340 0.25 . 1 . . . . . . . . 6540 1 444 . 1 1 44 44 GLN H H 1 8.2960 0.03 . 1 . . . . . . . . 6540 1 445 . 1 1 44 44 GLN CA C 13 57.2740 0.50 . 1 . . . . . . . . 6540 1 446 . 1 1 44 44 GLN HA H 1 4.2800 0.03 . 1 . . . . . . . . 6540 1 447 . 1 1 44 44 GLN CB C 13 28.0870 0.50 . 1 . . . . . . . . 6540 1 448 . 1 1 44 44 GLN HB2 H 1 1.9000 0.03 . 2 . . . . . . . . 6540 1 449 . 1 1 44 44 GLN C C 13 176.371 0.50 . 1 . . . . . . . . 6540 1 450 . 1 1 44 44 GLN CG C 13 34.2600 0.50 . 1 . . . . . . . . 6540 1 451 . 1 1 44 44 GLN HG2 H 1 2.1900 0.03 . 2 . . . . . . . . 6540 1 452 . 1 1 44 44 GLN HG3 H 1 2.0400 0.03 . 2 . . . . . . . . 6540 1 453 . 1 1 44 44 GLN NE2 N 15 112.6700 0.25 . 1 . . . . . . . . 6540 1 454 . 1 1 44 44 GLN HE21 H 1 7.5760 0.03 . 1 . . . . . . . . 6540 1 455 . 1 1 44 44 GLN HE22 H 1 6.879 0.03 . 1 . . . . . . . . 6540 1 456 . 1 1 45 45 ARG N N 15 117.4250 0.25 . 1 . . . . . . . . 6540 1 457 . 1 1 45 45 ARG H H 1 8.2860 0.03 . 1 . . . . . . . . 6540 1 458 . 1 1 45 45 ARG CA C 13 57.6350 0.50 . 1 . . . . . . . . 6540 1 459 . 1 1 45 45 ARG HA H 1 4.4200 0.03 . 1 . . . . . . . . 6540 1 460 . 1 1 45 45 ARG CB C 13 30.8880 0.50 . 1 . . . . . . . . 6540 1 461 . 1 1 45 45 ARG HB2 H 1 1.7500 0.03 . 2 . . . . . . . . 6540 1 462 . 1 1 45 45 ARG C C 13 176.225 0.50 . 1 . . . . . . . . 6540 1 463 . 1 1 45 45 ARG CG C 13 27.5500 0.50 . 1 . . . . . . . . 6540 1 464 . 1 1 45 45 ARG HG2 H 1 1.6100 0.03 . 2 . . . . . . . . 6540 1 465 . 1 1 45 45 ARG CD C 13 43.6200 0.50 . 1 . . . . . . . . 6540 1 466 . 1 1 45 45 ARG HD2 H 1 3.2100 0.03 . 2 . . . . . . . . 6540 1 467 . 1 1 46 46 LEU N N 15 118.5910 0.25 . 1 . . . . . . . . 6540 1 468 . 1 1 46 46 LEU H H 1 7.2920 0.03 . 1 . . . . . . . . 6540 1 469 . 1 1 46 46 LEU CA C 13 52.7110 0.50 . 1 . . . . . . . . 6540 1 470 . 1 1 46 46 LEU HA H 1 4.4200 0.03 . 1 . . . . . . . . 6540 1 471 . 1 1 46 46 LEU CB C 13 43.4880 0.50 . 1 . . . . . . . . 6540 1 472 . 1 1 46 46 LEU HB2 H 1 1.8100 0.03 . 2 . . . . . . . . 6540 1 473 . 1 1 46 46 LEU C C 13 174.645 0.50 . 1 . . . . . . . . 6540 1 474 . 1 1 46 46 LEU CG C 13 27.1800 0.50 . 1 . . . . . . . . 6540 1 475 . 1 1 46 46 LEU HG H 1 1.7100 0.03 . 1 . . . . . . . . 6540 1 476 . 1 1 46 46 LEU CD1 C 13 26.9100 0.50 . 1 . . . . . . . . 6540 1 477 . 1 1 46 46 LEU HD11 H 1 0.9600 0.03 . 2 . . . . . . . . 6540 1 478 . 1 1 46 46 LEU HD12 H 1 0.9600 0.03 . 2 . . . . . . . . 6540 1 479 . 1 1 46 46 LEU HD13 H 1 0.9600 0.03 . 2 . . . . . . . . 6540 1 480 . 1 1 46 46 LEU CD2 C 13 25.9700 0.50 . 1 . . . . . . . . 6540 1 481 . 1 1 46 46 LEU HD21 H 1 0.8900 0.03 . 2 . . . . . . . . 6540 1 482 . 1 1 46 46 LEU HD22 H 1 0.8900 0.03 . 2 . . . . . . . . 6540 1 483 . 1 1 46 46 LEU HD23 H 1 0.8900 0.03 . 2 . . . . . . . . 6540 1 484 . 1 1 47 47 ALA N N 15 129.4300 0.25 . 1 . . . . . . . . 6540 1 485 . 1 1 47 47 ALA H H 1 8.6280 0.03 . 1 . . . . . . . . 6540 1 486 . 1 1 47 47 ALA CA C 13 52.7630 0.50 . 1 . . . . . . . . 6540 1 487 . 1 1 47 47 ALA HA H 1 4.3800 0.03 . 1 . . . . . . . . 6540 1 488 . 1 1 47 47 ALA CB C 13 19.1410 0.50 . 1 . . . . . . . . 6540 1 489 . 1 1 47 47 ALA HB1 H 1 1.5200 0.03 . 1 . . . . . . . . 6540 1 490 . 1 1 47 47 ALA HB2 H 1 1.5200 0.03 . 1 . . . . . . . . 6540 1 491 . 1 1 47 47 ALA HB3 H 1 1.5200 0.03 . 1 . . . . . . . . 6540 1 492 . 1 1 47 47 ALA C C 13 178.394 0.50 . 1 . . . . . . . . 6540 1 493 . 1 1 48 48 ASP N N 15 120.3000 0.25 . 1 . . . . . . . . 6540 1 494 . 1 1 48 48 ASP H H 1 8.6600 0.03 . 1 . . . . . . . . 6540 1 495 . 1 1 48 48 ASP CA C 13 57.6730 0.50 . 1 . . . . . . . . 6540 1 496 . 1 1 48 48 ASP HA H 1 4.1300 0.03 . 1 . . . . . . . . 6540 1 497 . 1 1 48 48 ASP CB C 13 40.7620 0.50 . 1 . . . . . . . . 6540 1 498 . 1 1 48 48 ASP HB3 H 1 2.5000 0.03 . 2 . . . . . . . . 6540 1 499 . 1 1 48 48 ASP C C 13 178.42 0.50 . 1 . . . . . . . . 6540 1 500 . 1 1 49 49 GLN CA C 13 57.9460 0.50 . 1 . . . . . . . . 6540 1 501 . 1 1 49 49 GLN HA H 1 5.2700 0.03 . 1 . . . . . . . . 6540 1 502 . 1 1 49 49 GLN CB C 13 27.3880 0.50 . 1 . . . . . . . . 6540 1 503 . 1 1 49 49 GLN C C 13 178.071 0.50 . 1 . . . . . . . . 6540 1 504 . 1 1 49 49 GLN CG C 13 32.1100 0.50 . 1 . . . . . . . . 6540 1 505 . 1 1 49 49 GLN HG2 H 1 2.8400 0.03 . 2 . . . . . . . . 6540 1 506 . 1 1 49 49 GLN HG3 H 1 2.5900 0.03 . 2 . . . . . . . . 6540 1 507 . 1 1 49 49 GLN NE2 N 15 109.9280 0.25 . 1 . . . . . . . . 6540 1 508 . 1 1 49 49 GLN HE21 H 1 6.8670 0.03 . 1 . . . . . . . . 6540 1 509 . 1 1 49 49 GLN HE22 H 1 6.7090 0.03 . 1 . . . . . . . . 6540 1 510 . 1 1 50 50 TYR N N 15 117.8200 0.25 . 1 . . . . . . . . 6540 1 511 . 1 1 50 50 TYR H H 1 7.3930 0.03 . 1 . . . . . . . . 6540 1 512 . 1 1 50 50 TYR CA C 13 60.1070 0.50 . 1 . . . . . . . . 6540 1 513 . 1 1 50 50 TYR HA H 1 4.5100 0.03 . 1 . . . . . . . . 6540 1 514 . 1 1 50 50 TYR CB C 13 37.6390 0.50 . 1 . . . . . . . . 6540 1 515 . 1 1 50 50 TYR HB2 H 1 3.5400 0.03 . 2 . . . . . . . . 6540 1 516 . 1 1 50 50 TYR HB3 H 1 3.4100 0.03 . 2 . . . . . . . . 6540 1 517 . 1 1 50 50 TYR C C 13 176.898 0.50 . 1 . . . . . . . . 6540 1 518 . 1 1 50 50 TYR CD1 C 13 129.59 0.50 . 3 . . . . . . . . 6540 1 519 . 1 1 50 50 TYR HD1 H 1 7.03 0.03 . 3 . . . . . . . . 6540 1 520 . 1 1 50 50 TYR CE1 C 13 118.82 0.50 . 3 . . . . . . . . 6540 1 521 . 1 1 50 50 TYR HE1 H 1 6.75 0.03 . 3 . . . . . . . . 6540 1 522 . 1 1 51 51 ARG N N 15 116.0280 0.25 . 1 . . . . . . . . 6540 1 523 . 1 1 51 51 ARG H H 1 7.4220 0.03 . 1 . . . . . . . . 6540 1 524 . 1 1 51 51 ARG CA C 13 57.6900 0.50 . 1 . . . . . . . . 6540 1 525 . 1 1 51 51 ARG HA H 1 4.4300 0.03 . 1 . . . . . . . . 6540 1 526 . 1 1 51 51 ARG CB C 13 28.5960 0.50 . 1 . . . . . . . . 6540 1 527 . 1 1 51 51 ARG HB2 H 1 1.8500 0.03 . 2 . . . . . . . . 6540 1 528 . 1 1 51 51 ARG C C 13 176.046 0.50 . 1 . . . . . . . . 6540 1 529 . 1 1 51 51 ARG CG C 13 28.6500 0.50 . 1 . . . . . . . . 6540 1 530 . 1 1 51 51 ARG HG2 H 1 1.4700 0.03 . 2 . . . . . . . . 6540 1 531 . 1 1 51 51 ARG CD C 13 43.6000 0.50 . 1 . . . . . . . . 6540 1 532 . 1 1 51 51 ARG HD2 H 1 2.7000 0.03 . 2 . . . . . . . . 6540 1 533 . 1 1 52 52 ARG N N 15 113.4720 0.25 . 1 . . . . . . . . 6540 1 534 . 1 1 52 52 ARG H H 1 6.8660 0.03 . 1 . . . . . . . . 6540 1 535 . 1 1 52 52 ARG CA C 13 55.2870 0.50 . 1 . . . . . . . . 6540 1 536 . 1 1 52 52 ARG HA H 1 4.2400 0.03 . 1 . . . . . . . . 6540 1 537 . 1 1 52 52 ARG CB C 13 30.5260 0.50 . 1 . . . . . . . . 6540 1 538 . 1 1 52 52 ARG HB2 H 1 1.9400 0.03 . 2 . . . . . . . . 6540 1 539 . 1 1 52 52 ARG HB3 H 1 1.5600 0.03 . 2 . . . . . . . . 6540 1 540 . 1 1 52 52 ARG C C 13 176.029 0.50 . 1 . . . . . . . . 6540 1 541 . 1 1 52 52 ARG CG C 13 27.0700 0.50 . 1 . . . . . . . . 6540 1 542 . 1 1 52 52 ARG HG2 H 1 1.6100 0.03 . 2 . . . . . . . . 6540 1 543 . 1 1 52 52 ARG CD C 13 43.3600 0.50 . 1 . . . . . . . . 6540 1 544 . 1 1 52 52 ARG HD2 H 1 3.2300 0.03 . 2 . . . . . . . . 6540 1 545 . 1 1 53 53 HIS N N 15 122.1140 0.25 . 1 . . . . . . . . 6540 1 546 . 1 1 53 53 HIS H H 1 7.5690 0.03 . 1 . . . . . . . . 6540 1 547 . 1 1 53 53 HIS CA C 13 59.1090 0.50 . 1 . . . . . . . . 6540 1 548 . 1 1 53 53 HIS HA H 1 4.2500 0.03 . 1 . . . . . . . . 6540 1 549 . 1 1 53 53 HIS CB C 13 32.8530 0.50 . 1 . . . . . . . . 6540 1 550 . 1 1 53 53 HIS HB3 H 1 3.5700 0.03 . 2 . . . . . . . . 6540 1 551 . 1 1 53 53 HIS C C 13 176.01 0.50 . 1 . . . . . . . . 6540 1 552 . 1 1 53 53 HIS CE1 C 13 139.28 0.50 . 1 . . . . . . . . 6540 1 553 . 1 1 53 53 HIS HE1 H 1 7.66 0.03 . 1 . . . . . . . . 6540 1 554 . 1 1 53 53 HIS CD2 C 13 119.56 0.50 . 1 . . . . . . . . 6540 1 555 . 1 1 53 53 HIS HD2 H 1 6.71 0.03 . 1 . . . . . . . . 6540 1 556 . 1 1 54 54 SER CA C 13 61.9150 0.50 . 1 . . . . . . . . 6540 1 557 . 1 1 54 54 SER HA H 1 4.3600 0.03 . 1 . . . . . . . . 6540 1 558 . 1 1 54 54 SER CB C 13 62.9900 0.50 . 1 . . . . . . . . 6540 1 559 . 1 1 54 54 SER HB2 H 1 3.7600 0.03 . 2 . . . . . . . . 6540 1 560 . 1 1 54 54 SER HB3 H 1 3.5600 0.03 . 2 . . . . . . . . 6540 1 561 . 1 1 54 54 SER C C 13 176.448 0.50 . 1 . . . . . . . . 6540 1 562 . 1 1 55 55 LEU N N 15 123.9010 0.25 . 1 . . . . . . . . 6540 1 563 . 1 1 55 55 LEU H H 1 11.7400 0.03 . 1 . . . . . . . . 6540 1 564 . 1 1 55 55 LEU CA C 13 55.5930 0.50 . 1 . . . . . . . . 6540 1 565 . 1 1 55 55 LEU HA H 1 4.6300 0.03 . 1 . . . . . . . . 6540 1 566 . 1 1 55 55 LEU CB C 13 42.8600 0.50 . 1 . . . . . . . . 6540 1 567 . 1 1 55 55 LEU HB2 H 1 2.1100 0.03 . 2 . . . . . . . . 6540 1 568 . 1 1 55 55 LEU HB3 H 1 1.5500 0.03 . 2 . . . . . . . . 6540 1 569 . 1 1 55 55 LEU C C 13 179.140 0.50 . 1 . . . . . . . . 6540 1 570 . 1 1 55 55 LEU CG C 13 26.1100 0.50 . 1 . . . . . . . . 6540 1 571 . 1 1 55 55 LEU HG H 1 1.0100 0.03 . 1 . . . . . . . . 6540 1 572 . 1 1 55 55 LEU CD1 C 13 24.1900 0.50 . 1 . . . . . . . . 6540 1 573 . 1 1 55 55 LEU HD21 H 1 -0.1500 0.03 . 2 . . . . . . . . 6540 1 574 . 1 1 55 55 LEU HD22 H 1 -0.1500 0.03 . 2 . . . . . . . . 6540 1 575 . 1 1 55 55 LEU HD23 H 1 -0.1500 0.03 . 2 . . . . . . . . 6540 1 576 . 1 1 56 56 PHE N N 15 124.3680 0.25 . 1 . . . . . . . . 6540 1 577 . 1 1 56 56 PHE H H 1 7.9720 0.03 . 1 . . . . . . . . 6540 1 578 . 1 1 56 56 PHE CA C 13 59.0900 0.50 . 1 . . . . . . . . 6540 1 579 . 1 1 56 56 PHE HA H 1 4.4000 0.03 . 1 . . . . . . . . 6540 1 580 . 1 1 56 56 PHE CB C 13 38.6250 0.50 . 1 . . . . . . . . 6540 1 581 . 1 1 56 56 PHE HB2 H 1 2.8200 0.03 . 2 . . . . . . . . 6540 1 582 . 1 1 56 56 PHE HB3 H 1 2.8100 0.03 . 2 . . . . . . . . 6540 1 583 . 1 1 56 56 PHE C C 13 177.623 0.50 . 1 . . . . . . . . 6540 1 584 . 1 1 57 57 GLY N N 15 113.2250 0.25 . 1 . . . . . . . . 6540 1 585 . 1 1 57 57 GLY H H 1 7.6420 0.03 . 1 . . . . . . . . 6540 1 586 . 1 1 57 57 GLY CA C 13 45.8150 0.50 . 1 . . . . . . . . 6540 1 587 . 1 1 57 57 GLY HA2 H 1 3.6300 0.03 . 2 . . . . . . . . 6540 1 588 . 1 1 57 57 GLY HA3 H 1 2.7700 0.03 . 2 . . . . . . . . 6540 1 589 . 1 1 57 57 GLY C C 13 175.98 0.50 . 1 . . . . . . . . 6540 1 590 . 1 1 58 58 THR N N 15 108.1280 0.25 . 1 . . . . . . . . 6540 1 591 . 1 1 58 58 THR H H 1 7.5830 0.03 . 1 . . . . . . . . 6540 1 592 . 1 1 58 58 THR CA C 13 63.8460 0.50 . 1 . . . . . . . . 6540 1 593 . 1 1 58 58 THR HA H 1 4.2900 0.03 . 1 . . . . . . . . 6540 1 594 . 1 1 58 58 THR CB C 13 69.5790 0.50 . 1 . . . . . . . . 6540 1 595 . 1 1 58 58 THR HB H 1 4.3100 0.03 . 1 . . . . . . . . 6540 1 596 . 1 1 58 58 THR C C 13 175.55 0.50 . 1 . . . . . . . . 6540 1 597 . 1 1 58 58 THR CG2 C 13 22.2700 0.50 . 1 . . . . . . . . 6540 1 598 . 1 1 58 58 THR HG21 H 1 1.2100 0.03 . 1 . . . . . . . . 6540 1 599 . 1 1 58 58 THR HG22 H 1 1.2100 0.03 . 1 . . . . . . . . 6540 1 600 . 1 1 58 58 THR HG23 H 1 1.2100 0.03 . 1 . . . . . . . . 6540 1 601 . 1 1 59 59 GLY N N 15 110.4310 0.25 . 1 . . . . . . . . 6540 1 602 . 1 1 59 59 GLY H H 1 9.1050 0.03 . 1 . . . . . . . . 6540 1 603 . 1 1 59 59 GLY CA C 13 45.6660 0.50 . 1 . . . . . . . . 6540 1 604 . 1 1 59 59 GLY HA2 H 1 5.3800 0.03 . 2 . . . . . . . . 6540 1 605 . 1 1 59 59 GLY C C 13 175.064 0.50 . 1 . . . . . . . . 6540 1 606 . 1 1 60 60 LYS N N 15 117.8620 0.25 . 1 . . . . . . . . 6540 1 607 . 1 1 60 60 LYS H H 1 7.3350 0.03 . 1 . . . . . . . . 6540 1 608 . 1 1 60 60 LYS CA C 13 58.6800 0.50 . 1 . . . . . . . . 6540 1 609 . 1 1 60 60 LYS HA H 1 3.9200 0.03 . 1 . . . . . . . . 6540 1 610 . 1 1 60 60 LYS CB C 13 32.3540 0.50 . 1 . . . . . . . . 6540 1 611 . 1 1 60 60 LYS HB2 H 1 1.7700 0.03 . 2 . . . . . . . . 6540 1 612 . 1 1 60 60 LYS C C 13 175.150 0.50 . 1 . . . . . . . . 6540 1 613 . 1 1 60 60 LYS CG C 13 24.9100 0.50 . 1 . . . . . . . . 6540 1 614 . 1 1 60 60 LYS HG2 H 1 1.3600 0.03 . 2 . . . . . . . . 6540 1 615 . 1 1 60 60 LYS CD C 13 29.4600 0.50 . 1 . . . . . . . . 6540 1 616 . 1 1 60 60 LYS HD2 H 1 1.5900 0.03 . 2 . . . . . . . . 6540 1 617 . 1 1 60 60 LYS CE C 13 41.9400 0.50 . 1 . . . . . . . . 6540 1 618 . 1 1 60 60 LYS HE2 H 1 2.9000 0.03 . 2 . . . . . . . . 6540 1 619 . 1 1 61 61 ASP N N 15 116.7620 0.25 . 1 . . . . . . . . 6540 1 620 . 1 1 61 61 ASP H H 1 8.8710 0.03 . 1 . . . . . . . . 6540 1 621 . 1 1 61 61 ASP CA C 13 54.9270 0.50 . 1 . . . . . . . . 6540 1 622 . 1 1 61 61 ASP HA H 1 4.2500 0.03 . 1 . . . . . . . . 6540 1 623 . 1 1 61 61 ASP CB C 13 39.6980 0.50 . 1 . . . . . . . . 6540 1 624 . 1 1 61 61 ASP HB2 H 1 2.5000 0.03 . 2 . . . . . . . . 6540 1 625 . 1 1 61 61 ASP C C 13 175.174 0.50 . 1 . . . . . . . . 6540 1 626 . 1 1 62 62 GLN N N 15 116.1020 0.25 . 1 . . . . . . . . 6540 1 627 . 1 1 62 62 GLN H H 1 7.3350 0.03 . 1 . . . . . . . . 6540 1 628 . 1 1 62 62 GLN CA C 13 53.0440 0.50 . 1 . . . . . . . . 6540 1 629 . 1 1 62 62 GLN HA H 1 4.5000 0.03 . 1 . . . . . . . . 6540 1 630 . 1 1 62 62 GLN CB C 13 29.0910 0.50 . 1 . . . . . . . . 6540 1 631 . 1 1 62 62 GLN HB2 H 1 2.0000 0.03 . 2 . . . . . . . . 6540 1 632 . 1 1 62 62 GLN C C 13 175.9998 0.50 . 1 . . . . . . . . 6540 1 633 . 1 1 62 62 GLN CG C 13 31.3300 0.50 . 1 . . . . . . . . 6540 1 634 . 1 1 62 62 GLN HG2 H 1 2.4500 0.03 . 2 . . . . . . . . 6540 1 635 . 1 1 62 62 GLN NE2 N 15 107.4280 0.25 . 1 . . . . . . . . 6540 1 636 . 1 1 62 62 GLN HE21 H 1 6.004 0.03 . 1 . . . . . . . . 6540 1 637 . 1 1 62 62 GLN HE22 H 1 5.6650 0.03 . 1 . . . . . . . . 6540 1 638 . 1 1 63 63 THR N N 15 112.0910 0.25 . 1 . . . . . . . . 6540 1 639 . 1 1 63 63 THR H H 1 8.5200 0.03 . 1 . . . . . . . . 6540 1 640 . 1 1 63 63 THR CA C 13 61.5010 0.50 . 1 . . . . . . . . 6540 1 641 . 1 1 63 63 THR HA H 1 4.0800 0.03 . 1 . . . . . . . . 6540 1 642 . 1 1 63 63 THR CB C 13 70.8220 0.50 . 1 . . . . . . . . 6540 1 643 . 1 1 63 63 THR HB H 1 4.1100 0.03 . 1 . . . . . . . . 6540 1 644 . 1 1 63 63 THR C C 13 175.024 0.50 . 1 . . . . . . . . 6540 1 645 . 1 1 63 63 THR CG2 C 13 21.7900 0.50 . 1 . . . . . . . . 6540 1 646 . 1 1 63 63 THR HG21 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 647 . 1 1 63 63 THR HG22 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 648 . 1 1 63 63 THR HG23 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 649 . 1 1 64 64 GLU N N 15 120.7700 0.25 . 1 . . . . . . . . 6540 1 650 . 1 1 64 64 GLU H H 1 9.3650 0.03 . 1 . . . . . . . . 6540 1 651 . 1 1 64 64 GLU CA C 13 61.4180 0.50 . 1 . . . . . . . . 6540 1 652 . 1 1 64 64 GLU HA H 1 4.1000 0.03 . 1 . . . . . . . . 6540 1 653 . 1 1 64 64 GLU CB C 13 29.9610 0.50 . 1 . . . . . . . . 6540 1 654 . 1 1 64 64 GLU HB2 H 1 2.0400 0.03 . 2 . . . . . . . . 6540 1 655 . 1 1 64 64 GLU C C 13 178.363 0.50 . 1 . . . . . . . . 6540 1 656 . 1 1 64 64 GLU CG C 13 37.1200 0.50 . 1 . . . . . . . . 6540 1 657 . 1 1 64 64 GLU HG2 H 1 2.5200 0.03 . 2 . . . . . . . . 6540 1 658 . 1 1 64 64 GLU HG3 H 1 2.4600 0.03 . 2 . . . . . . . . 6540 1 659 . 1 1 65 65 SER N N 15 112.3290 0.25 . 1 . . . . . . . . 6540 1 660 . 1 1 65 65 SER H H 1 8.5200 0.03 . 1 . . . . . . . . 6540 1 661 . 1 1 65 65 SER CA C 13 62.1230 0.50 . 1 . . . . . . . . 6540 1 662 . 1 1 65 65 SER HA H 1 4.0200 0.03 . 1 . . . . . . . . 6540 1 663 . 1 1 65 65 SER CB C 13 62.1200 0.50 . 1 . . . . . . . . 6540 1 664 . 1 1 65 65 SER HB3 H 1 2.8800 0.03 . 2 . . . . . . . . 6540 1 665 . 1 1 65 65 SER C C 13 176.737 0.50 . 1 . . . . . . . . 6540 1 666 . 1 1 66 66 TRP N N 15 127.3360 0.25 . 1 . . . . . . . . 6540 1 667 . 1 1 66 66 TRP H H 1 8.2660 0.03 . 1 . . . . . . . . 6540 1 668 . 1 1 66 66 TRP CA C 13 62.8830 0.50 . 1 . . . . . . . . 6540 1 669 . 1 1 66 66 TRP HA H 1 3.4700 0.03 . 1 . . . . . . . . 6540 1 670 . 1 1 66 66 TRP CB C 13 30.0440 0.50 . 1 . . . . . . . . 6540 1 671 . 1 1 66 66 TRP HB2 H 1 3.3600 0.03 . 2 . . . . . . . . 6540 1 672 . 1 1 66 66 TRP C C 13 178.412 0.50 . 1 . . . . . . . . 6540 1 673 . 1 1 66 66 TRP NE1 N 15 128.880 0.25 . 1 . . . . . . . . 6540 1 674 . 1 1 66 66 TRP HE1 H 1 10.4700 0.03 . 1 . . . . . . . . 6540 1 675 . 1 1 66 66 TRP CZ2 C 13 114.49 0.50 . 1 . . . . . . . . 6540 1 676 . 1 1 66 66 TRP HZ2 H 1 7.36 0.03 . 1 . . . . . . . . 6540 1 677 . 1 1 66 66 TRP CH2 C 13 121.86 0.50 . 1 . . . . . . . . 6540 1 678 . 1 1 66 66 TRP HH2 H 1 7.55 0.03 . 1 . . . . . . . . 6540 1 679 . 1 1 66 66 TRP CZ3 C 13 124.29 0.50 . 1 . . . . . . . . 6540 1 680 . 1 1 66 66 TRP HZ3 H 1 7.25 0.03 . 1 . . . . . . . . 6540 1 681 . 1 1 66 66 TRP CE3 C 13 124.26 0.50 . 1 . . . . . . . . 6540 1 682 . 1 1 66 66 TRP HE3 H 1 7.09 0.03 . 1 . . . . . . . . 6540 1 683 . 1 1 67 67 TRP N N 15 118.0420 0.25 . 1 . . . . . . . . 6540 1 684 . 1 1 67 67 TRP H H 1 8.6650 0.03 . 1 . . . . . . . . 6540 1 685 . 1 1 67 67 TRP CA C 13 61.2560 0.50 . 1 . . . . . . . . 6540 1 686 . 1 1 67 67 TRP HA H 1 4.4700 0.03 . 1 . . . . . . . . 6540 1 687 . 1 1 67 67 TRP CB C 13 31.4590 0.50 . 1 . . . . . . . . 6540 1 688 . 1 1 67 67 TRP HB2 H 1 2.8800 0.03 . 2 . . . . . . . . 6540 1 689 . 1 1 67 67 TRP C C 13 179.734 0.50 . 1 . . . . . . . . 6540 1 690 . 1 1 67 67 TRP NE1 N 15 128.140 0.25 . 1 . . . . . . . . 6540 1 691 . 1 1 67 67 TRP HE1 H 1 10.4700 0.03 . 1 . . . . . . . . 6540 1 692 . 1 1 67 67 TRP CZ2 C 13 114.08 0.50 . 1 . . . . . . . . 6540 1 693 . 1 1 67 67 TRP HZ2 H 1 7.14 0.03 . 1 . . . . . . . . 6540 1 694 . 1 1 67 67 TRP CH2 C 13 124.91 0.50 . 1 . . . . . . . . 6540 1 695 . 1 1 67 67 TRP HH2 H 1 6.85 0.03 . 1 . . . . . . . . 6540 1 696 . 1 1 67 67 TRP CZ3 C 13 125.45 0.50 . 1 . . . . . . . . 6540 1 697 . 1 1 67 67 TRP HZ3 H 1 6.76 0.03 . 1 . . . . . . . . 6540 1 698 . 1 1 67 67 TRP CE3 C 13 126.13 0.50 . 1 . . . . . . . . 6540 1 699 . 1 1 67 67 TRP HE3 H 1 6.76 0.03 . 1 . . . . . . . . 6540 1 700 . 1 1 68 68 LYS N N 15 119.9120 0.25 . 1 . . . . . . . . 6540 1 701 . 1 1 68 68 LYS H H 1 8.6850 0.03 . 1 . . . . . . . . 6540 1 702 . 1 1 68 68 LYS CA C 13 60.0800 0.50 . 1 . . . . . . . . 6540 1 703 . 1 1 68 68 LYS HA H 1 4.1000 0.03 . 1 . . . . . . . . 6540 1 704 . 1 1 68 68 LYS CB C 13 32.2080 0.50 . 1 . . . . . . . . 6540 1 705 . 1 1 68 68 LYS HB2 H 1 1.7200 0.03 . 2 . . . . . . . . 6540 1 706 . 1 1 68 68 LYS C C 13 179.753 0.50 . 1 . . . . . . . . 6540 1 707 . 1 1 68 68 LYS CG C 13 26.3500 0.50 . 1 . . . . . . . . 6540 1 708 . 1 1 68 68 LYS HG2 H 1 1.3500 0.03 . 2 . . . . . . . . 6540 1 709 . 1 1 68 68 LYS CD C 13 29.2200 0.50 . 1 . . . . . . . . 6540 1 710 . 1 1 68 68 LYS HD2 H 1 1.5600 0.03 . 2 . . . . . . . . 6540 1 711 . 1 1 68 68 LYS CE C 13 42.1700 0.50 . 1 . . . . . . . . 6540 1 712 . 1 1 68 68 LYS HE2 H 1 3.8900 0.03 . 2 . . . . . . . . 6540 1 713 . 1 1 69 69 ALA N N 15 124.9580 0.25 . 1 . . . . . . . . 6540 1 714 . 1 1 69 69 ALA H H 1 8.1150 0.03 . 1 . . . . . . . . 6540 1 715 . 1 1 69 69 ALA CA C 13 55.4270 0.50 . 1 . . . . . . . . 6540 1 716 . 1 1 69 69 ALA HA H 1 3.9000 0.03 . 1 . . . . . . . . 6540 1 717 . 1 1 69 69 ALA CB C 13 17.9200 0.50 . 1 . . . . . . . . 6540 1 718 . 1 1 69 69 ALA HB1 H 1 1.1400 0.03 . 1 . . . . . . . . 6540 1 719 . 1 1 69 69 ALA HB2 H 1 1.1400 0.03 . 1 . . . . . . . . 6540 1 720 . 1 1 69 69 ALA HB3 H 1 1.1400 0.03 . 1 . . . . . . . . 6540 1 721 . 1 1 69 69 ALA C C 13 179.76 0.50 . 1 . . . . . . . . 6540 1 722 . 1 1 70 70 PHE N N 15 121.4110 0.25 . 1 . . . . . . . . 6540 1 723 . 1 1 70 70 PHE H H 1 8.9110 0.03 . 1 . . . . . . . . 6540 1 724 . 1 1 70 70 PHE CA C 13 59.5040 0.50 . 1 . . . . . . . . 6540 1 725 . 1 1 70 70 PHE HA H 1 3.8600 0.03 . 1 . . . . . . . . 6540 1 726 . 1 1 70 70 PHE CB C 13 38.7820 0.50 . 1 . . . . . . . . 6540 1 727 . 1 1 70 70 PHE HB2 H 1 2.8400 0.03 . 2 . . . . . . . . 6540 1 728 . 1 1 70 70 PHE C C 13 178.119 0.50 . 1 . . . . . . . . 6540 1 729 . 1 1 71 71 SER N N 15 115.6210 0.25 . 1 . . . . . . . . 6540 1 730 . 1 1 71 71 SER H H 1 8.7100 0.03 . 1 . . . . . . . . 6540 1 731 . 1 1 71 71 SER CA C 13 62.6660 0.50 . 1 . . . . . . . . 6540 1 732 . 1 1 71 71 SER HA H 1 4.8900 0.03 . 1 . . . . . . . . 6540 1 733 . 1 1 71 71 SER CB C 13 66.9030 0.50 . 1 . . . . . . . . 6540 1 734 . 1 1 71 71 SER HB3 H 1 4.2400 0.03 . 2 . . . . . . . . 6540 1 735 . 1 1 71 71 SER C C 13 175.356 0.50 . 1 . . . . . . . . 6540 1 736 . 1 1 72 72 ARG N N 15 120.6340 0.25 . 1 . . . . . . . . 6540 1 737 . 1 1 72 72 ARG H H 1 7.2880 0.03 . 1 . . . . . . . . 6540 1 738 . 1 1 72 72 ARG CA C 13 59.0910 0.50 . 1 . . . . . . . . 6540 1 739 . 1 1 72 72 ARG HA H 1 3.8900 0.03 . 1 . . . . . . . . 6540 1 740 . 1 1 72 72 ARG CB C 13 29.1720 0.50 . 1 . . . . . . . . 6540 1 741 . 1 1 72 72 ARG HB2 H 1 1.8900 0.03 . 2 . . . . . . . . 6540 1 742 . 1 1 72 72 ARG C C 13 179.142 0.50 . 1 . . . . . . . . 6540 1 743 . 1 1 72 72 ARG CG C 13 26.3500 0.50 . 1 . . . . . . . . 6540 1 744 . 1 1 72 72 ARG HG2 H 1 1.7700 0.03 . 2 . . . . . . . . 6540 1 745 . 1 1 72 72 ARG HG3 H 1 1.5700 0.03 . 2 . . . . . . . . 6540 1 746 . 1 1 72 72 ARG CD C 13 43.5900 0.50 . 1 . . . . . . . . 6540 1 747 . 1 1 72 72 ARG HD2 H 1 2.9000 0.03 . 2 . . . . . . . . 6540 1 748 . 1 1 73 73 GLN N N 15 118.4830 0.25 . 1 . . . . . . . . 6540 1 749 . 1 1 73 73 GLN H H 1 7.3320 0.03 . 1 . . . . . . . . 6540 1 750 . 1 1 73 73 GLN CA C 13 57.9430 0.50 . 1 . . . . . . . . 6540 1 751 . 1 1 73 73 GLN HA H 1 4.0100 0.03 . 1 . . . . . . . . 6540 1 752 . 1 1 73 73 GLN CB C 13 27.8570 0.50 . 1 . . . . . . . . 6540 1 753 . 1 1 73 73 GLN HB2 H 1 1.8900 0.03 . 2 . . . . . . . . 6540 1 754 . 1 1 73 73 GLN C C 13 179.402 0.50 . 1 . . . . . . . . 6540 1 755 . 1 1 73 73 GLN CG C 13 33.4700 0.50 . 1 . . . . . . . . 6540 1 756 . 1 1 73 73 GLN HG2 H 1 2.1400 0.03 . 2 . . . . . . . . 6540 1 757 . 1 1 73 73 GLN NE2 N 15 111.7540 0.25 . 1 . . . . . . . . 6540 1 758 . 1 1 73 73 GLN HE21 H 1 7.30230 0.03 . 1 . . . . . . . . 6540 1 759 . 1 1 73 73 GLN HE22 H 1 6.7620 0.03 . 1 . . . . . . . . 6540 1 760 . 1 1 74 74 LEU N N 15 119.3170 0.25 . 1 . . . . . . . . 6540 1 761 . 1 1 74 74 LEU H H 1 7.6520 0.03 . 1 . . . . . . . . 6540 1 762 . 1 1 74 74 LEU CA C 13 57.1150 0.50 . 1 . . . . . . . . 6540 1 763 . 1 1 74 74 LEU HA H 1 3.9500 0.03 . 1 . . . . . . . . 6540 1 764 . 1 1 74 74 LEU CB C 13 41.3280 0.50 . 1 . . . . . . . . 6540 1 765 . 1 1 74 74 LEU HB2 H 1 1.5700 0.03 . 2 . . . . . . . . 6540 1 766 . 1 1 74 74 LEU C C 13 178.81 0.50 . 1 . . . . . . . . 6540 1 767 . 1 1 74 74 LEU CG C 13 26.5900 0.50 . 1 . . . . . . . . 6540 1 768 . 1 1 74 74 LEU HG H 1 0.6700 0.03 . 1 . . . . . . . . 6540 1 769 . 1 1 74 74 LEU CD1 C 13 26.0800 0.50 . 1 . . . . . . . . 6540 1 770 . 1 1 74 74 LEU HD11 H 1 0.0800 0.03 . 2 . . . . . . . . 6540 1 771 . 1 1 74 74 LEU HD12 H 1 0.0800 0.03 . 2 . . . . . . . . 6540 1 772 . 1 1 74 74 LEU HD13 H 1 0.0800 0.03 . 2 . . . . . . . . 6540 1 773 . 1 1 74 74 LEU CD2 C 13 22.5300 0.50 . 1 . . . . . . . . 6540 1 774 . 1 1 74 74 LEU HD21 H 1 -0.0300 0.03 . 2 . . . . . . . . 6540 1 775 . 1 1 74 74 LEU HD22 H 1 -0.0300 0.03 . 2 . . . . . . . . 6540 1 776 . 1 1 74 74 LEU HD23 H 1 -0.0300 0.03 . 2 . . . . . . . . 6540 1 777 . 1 1 75 75 ILE N N 15 122.9910 0.25 . 1 . . . . . . . . 6540 1 778 . 1 1 75 75 ILE H H 1 8.0890 0.03 . 1 . . . . . . . . 6540 1 779 . 1 1 75 75 ILE CA C 13 64.4120 0.50 . 1 . . . . . . . . 6540 1 780 . 1 1 75 75 ILE HA H 1 4.3300 0.03 . 1 . . . . . . . . 6540 1 781 . 1 1 75 75 ILE CB C 13 38.3510 0.50 . 1 . . . . . . . . 6540 1 782 . 1 1 75 75 ILE HB H 1 1.8600 0.03 . 1 . . . . . . . . 6540 1 783 . 1 1 75 75 ILE C C 13 178.235 0.50 . 1 . . . . . . . . 6540 1 784 . 1 1 75 75 ILE CG1 C 13 26.8200 0.50 . 1 . . . . . . . . 6540 1 785 . 1 1 75 75 ILE HG12 H 1 1.5000 0.03 . 2 . . . . . . . . 6540 1 786 . 1 1 75 75 ILE CG2 C 13 17.2400 0.50 . 1 . . . . . . . . 6540 1 787 . 1 1 75 75 ILE HG21 H 1 0.7800 0.03 . 1 . . . . . . . . 6540 1 788 . 1 1 75 75 ILE HG22 H 1 0.7800 0.03 . 1 . . . . . . . . 6540 1 789 . 1 1 75 75 ILE HG23 H 1 0.7800 0.03 . 1 . . . . . . . . 6540 1 790 . 1 1 75 75 ILE CD1 C 13 8.8700 0.50 . 1 . . . . . . . . 6540 1 791 . 1 1 75 75 ILE HD11 H 1 0.7100 0.03 . 1 . . . . . . . . 6540 1 792 . 1 1 75 75 ILE HD12 H 1 0.7100 0.03 . 1 . . . . . . . . 6540 1 793 . 1 1 75 75 ILE HD13 H 1 0.7100 0.03 . 1 . . . . . . . . 6540 1 794 . 1 1 76 76 THR N N 15 119.5200 0.25 . 1 . . . . . . . . 6540 1 795 . 1 1 76 76 THR H H 1 8.5680 0.03 . 1 . . . . . . . . 6540 1 796 . 1 1 76 76 THR CA C 13 66.5780 0.50 . 1 . . . . . . . . 6540 1 797 . 1 1 76 76 THR HA H 1 3.8900 0.03 . 1 . . . . . . . . 6540 1 798 . 1 1 76 76 THR CB C 13 68.1590 0.50 . 1 . . . . . . . . 6540 1 799 . 1 1 76 76 THR HB H 1 4.1700 0.03 . 1 . . . . . . . . 6540 1 800 . 1 1 76 76 THR C C 13 176.870 0.50 . 1 . . . . . . . . 6540 1 801 . 1 1 76 76 THR CG2 C 13 22.0300 0.50 . 1 . . . . . . . . 6540 1 802 . 1 1 76 76 THR HG21 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 803 . 1 1 76 76 THR HG22 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 804 . 1 1 76 76 THR HG23 H 1 1.1200 0.03 . 1 . . . . . . . . 6540 1 805 . 1 1 77 77 GLY N N 15 105.2830 0.25 . 1 . . . . . . . . 6540 1 806 . 1 1 77 77 GLY H H 1 8.1830 0.03 . 1 . . . . . . . . 6540 1 807 . 1 1 77 77 GLY CA C 13 45.3570 0.50 . 1 . . . . . . . . 6540 1 808 . 1 1 77 77 GLY HA2 H 1 4.0100 0.03 . 2 . . . . . . . . 6540 1 809 . 1 1 77 77 GLY C C 13 173.316 0.50 . 1 . . . . . . . . 6540 1 810 . 1 1 78 78 GLY N N 15 105.3990 0.25 . 1 . . . . . . . . 6540 1 811 . 1 1 78 78 GLY H H 1 7.8350 0.03 . 1 . . . . . . . . 6540 1 812 . 1 1 78 78 GLY CA C 13 45.6490 0.50 . 1 . . . . . . . . 6540 1 813 . 1 1 78 78 GLY HA2 H 1 3.9500 0.03 . 2 . . . . . . . . 6540 1 814 . 1 1 78 78 GLY C C 13 175.937 0.50 . 1 . . . . . . . . 6540 1 815 . 1 1 79 79 PHE N N 15 120.4210 0.25 . 1 . . . . . . . . 6540 1 816 . 1 1 79 79 PHE H H 1 8.7830 0.03 . 1 . . . . . . . . 6540 1 817 . 1 1 79 79 PHE CA C 13 61.0850 0.50 . 1 . . . . . . . . 6540 1 818 . 1 1 79 79 PHE HA H 1 3.8400 0.03 . 1 . . . . . . . . 6540 1 819 . 1 1 79 79 PHE CB C 13 40.9270 0.50 . 1 . . . . . . . . 6540 1 820 . 1 1 79 79 PHE HB2 H 1 3.5900 0.03 . 2 . . . . . . . . 6540 1 821 . 1 1 79 79 PHE C C 13 173.220 0.50 . 1 . . . . . . . . 6540 1 822 . 1 1 80 80 LEU N N 15 116.2640 0.25 . 1 . . . . . . . . 6540 1 823 . 1 1 80 80 LEU H H 1 6.9690 0.03 . 1 . . . . . . . . 6540 1 824 . 1 1 80 80 LEU CA C 13 52.1070 0.50 . 1 . . . . . . . . 6540 1 825 . 1 1 80 80 LEU HA H 1 5.2300 0.03 . 1 . . . . . . . . 6540 1 826 . 1 1 80 80 LEU CB C 13 48.8060 0.50 . 1 . . . . . . . . 6540 1 827 . 1 1 80 80 LEU HB3 H 1 1.2200 0.03 . 2 . . . . . . . . 6540 1 828 . 1 1 80 80 LEU C C 13 174.338 0.50 . 1 . . . . . . . . 6540 1 829 . 1 1 80 80 LEU CG C 13 25.6300 0.50 . 1 . . . . . . . . 6540 1 830 . 1 1 80 80 LEU CD1 C 13 25.8100 0.50 . 1 . . . . . . . . 6540 1 831 . 1 1 80 80 LEU HD11 H 1 0.6500 0.03 . 2 . . . . . . . . 6540 1 832 . 1 1 80 80 LEU HD12 H 1 0.6500 0.03 . 2 . . . . . . . . 6540 1 833 . 1 1 80 80 LEU HD13 H 1 0.6500 0.03 . 2 . . . . . . . . 6540 1 834 . 1 1 80 80 LEU CD2 C 13 25.5000 0.50 . 1 . . . . . . . . 6540 1 835 . 1 1 80 80 LEU HD21 H 1 0.8300 0.03 . 2 . . . . . . . . 6540 1 836 . 1 1 80 80 LEU HD22 H 1 0.8300 0.03 . 2 . . . . . . . . 6540 1 837 . 1 1 80 80 LEU HD23 H 1 0.8300 0.03 . 2 . . . . . . . . 6540 1 838 . 1 1 81 81 VAL N N 15 119.0700 0.25 . 1 . . . . . . . . 6540 1 839 . 1 1 81 81 VAL H H 1 9.2420 0.03 . 1 . . . . . . . . 6540 1 840 . 1 1 81 81 VAL CA C 13 59.9200 0.50 . 1 . . . . . . . . 6540 1 841 . 1 1 81 81 VAL HA H 1 4.4700 0.03 . 1 . . . . . . . . 6540 1 842 . 1 1 81 81 VAL CB C 13 35.2870 0.50 . 1 . . . . . . . . 6540 1 843 . 1 1 81 81 VAL HB H 1 2.1730 0.03 . 1 . . . . . . . . 6540 1 844 . 1 1 81 81 VAL C C 13 172.260 0.50 . 1 . . . . . . . . 6540 1 845 . 1 1 81 81 VAL CG1 C 13 21.0700 0.50 . 1 . . . . . . . . 6540 1 846 . 1 1 81 81 VAL HG11 H 1 0.8500 0.03 . 2 . . . . . . . . 6540 1 847 . 1 1 81 81 VAL HG12 H 1 0.8500 0.03 . 2 . . . . . . . . 6540 1 848 . 1 1 81 81 VAL HG13 H 1 0.8500 0.03 . 2 . . . . . . . . 6540 1 849 . 1 1 81 81 VAL CG2 C 13 18.9200 0.50 . 1 . . . . . . . . 6540 1 850 . 1 1 81 81 VAL HG21 H 1 0.6500 0.03 . 2 . . . . . . . . 6540 1 851 . 1 1 81 81 VAL HG22 H 1 0.6500 0.03 . 2 . . . . . . . . 6540 1 852 . 1 1 81 81 VAL HG23 H 1 0.6500 0.03 . 2 . . . . . . . . 6540 1 853 . 1 1 82 82 GLU N N 15 124.3480 0.25 . 1 . . . . . . . . 6540 1 854 . 1 1 82 82 GLU H H 1 8.5290 0.03 . 1 . . . . . . . . 6540 1 855 . 1 1 82 82 GLU CA C 13 54.6770 0.50 . 1 . . . . . . . . 6540 1 856 . 1 1 82 82 GLU HA H 1 5.3300 0.03 . 1 . . . . . . . . 6540 1 857 . 1 1 82 82 GLU CB C 13 31.7090 0.50 . 1 . . . . . . . . 6540 1 858 . 1 1 82 82 GLU HB2 H 1 1.7000 0.03 . 2 . . . . . . . . 6540 1 859 . 1 1 82 82 GLU HB3 H 1 1.6000 0.03 . 2 . . . . . . . . 6540 1 860 . 1 1 82 82 GLU C C 13 176.315 0.50 . 1 . . . . . . . . 6540 1 861 . 1 1 82 82 GLU CG C 13 37.6900 0.50 . 1 . . . . . . . . 6540 1 862 . 1 1 82 82 GLU HG2 H 1 2.1500 0.03 . 2 . . . . . . . . 6540 1 863 . 1 1 82 82 GLU HG3 H 1 1.9300 0.03 . 2 . . . . . . . . 6540 1 864 . 1 1 83 83 VAL N N 15 122.1230 0.25 . 1 . . . . . . . . 6540 1 865 . 1 1 83 83 VAL H H 1 8.8460 0.03 . 1 . . . . . . . . 6540 1 866 . 1 1 83 83 VAL CA C 13 60.4190 0.50 . 1 . . . . . . . . 6540 1 867 . 1 1 83 83 VAL HA H 1 4.3600 0.03 . 1 . . . . . . . . 6540 1 868 . 1 1 83 83 VAL CB C 13 35.0380 0.50 . 1 . . . . . . . . 6540 1 869 . 1 1 83 83 VAL C C 13 176.31 0.50 . 1 . . . . . . . . 6540 1 870 . 1 1 83 83 VAL CG1 C 13 21.2900 0.50 . 1 . . . . . . . . 6540 1 871 . 1 1 83 83 VAL HG11 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 872 . 1 1 83 83 VAL HG12 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 873 . 1 1 83 83 VAL HG13 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 874 . 1 1 83 83 VAL CG2 C 13 18.4700 0.50 . 1 . . . . . . . . 6540 1 875 . 1 1 83 83 VAL HG21 H 1 0.7200 0.03 . 2 . . . . . . . . 6540 1 876 . 1 1 83 83 VAL HG22 H 1 0.7200 0.03 . 2 . . . . . . . . 6540 1 877 . 1 1 83 83 VAL HG23 H 1 0.7200 0.03 . 2 . . . . . . . . 6540 1 878 . 1 1 84 84 SER CA C 13 57.7700 0.50 . 1 . . . . . . . . 6540 1 879 . 1 1 84 84 SER HA H 1 4.7300 0.03 . 1 . . . . . . . . 6540 1 880 . 1 1 84 84 SER CB C 13 63.7780 0.50 . 1 . . . . . . . . 6540 1 881 . 1 1 84 84 SER HB2 H 1 3.7200 0.03 . 2 . . . . . . . . 6540 1 882 . 1 1 84 84 SER C C 13 174.585 0.50 . 1 . . . . . . . . 6540 1 883 . 1 1 85 85 ARG N N 15 123.8660 0.25 . 1 . . . . . . . . 6540 1 884 . 1 1 85 85 ARG H H 1 8.3650 0.03 . 1 . . . . . . . . 6540 1 885 . 1 1 85 85 ARG CA C 13 55.9260 0.50 . 1 . . . . . . . . 6540 1 886 . 1 1 85 85 ARG HA H 1 4.2500 0.03 . 1 . . . . . . . . 6540 1 887 . 1 1 85 85 ARG CB C 13 32.7070 0.50 . 1 . . . . . . . . 6540 1 888 . 1 1 85 85 ARG HB2 H 1 1.4700 0.03 . 2 . . . . . . . . 6540 1 889 . 1 1 85 85 ARG C C 13 176.713 0.50 . 1 . . . . . . . . 6540 1 890 . 1 1 86 86 TYR N N 15 122.8390 0.25 . 1 . . . . . . . . 6540 1 891 . 1 1 86 86 TYR H H 1 8.0770 0.03 . 1 . . . . . . . . 6540 1 892 . 1 1 86 86 TYR CA C 13 54.8400 0.50 . 1 . . . . . . . . 6540 1 893 . 1 1 86 86 TYR HA H 1 3.2800 0.03 . 1 . . . . . . . . 6540 1 894 . 1 1 86 86 TYR CB C 13 42.7900 0.50 . 1 . . . . . . . . 6540 1 895 . 1 1 86 86 TYR C C 13 175.652 0.50 . 1 . . . . . . . . 6540 1 896 . 1 1 86 86 TYR CD1 C 13 129.81 0.50 . 3 . . . . . . . . 6540 1 897 . 1 1 86 86 TYR HD1 H 1 7.24 0.03 . 3 . . . . . . . . 6540 1 898 . 1 1 86 86 TYR CE1 C 13 118.17 0.50 . 3 . . . . . . . . 6540 1 899 . 1 1 86 86 TYR HE1 H 1 6.75 0.03 . 3 . . . . . . . . 6540 1 900 . 1 1 87 87 ASN N N 15 122.1150 0.25 . 1 . . . . . . . . 6540 1 901 . 1 1 87 87 ASN H H 1 7.8120 0.03 . 1 . . . . . . . . 6540 1 902 . 1 1 87 87 ASN CA C 13 52.2960 0.50 . 1 . . . . . . . . 6540 1 903 . 1 1 87 87 ASN HA H 1 4.3900 0.03 . 1 . . . . . . . . 6540 1 904 . 1 1 87 87 ASN CB C 13 43.2390 0.50 . 1 . . . . . . . . 6540 1 905 . 1 1 87 87 ASN HB2 H 1 2.7000 0.03 . 2 . . . . . . . . 6540 1 906 . 1 1 87 87 ASN C C 13 175.66 0.50 . 1 . . . . . . . . 6540 1 907 . 1 1 88 88 LYS CA C 13 53.0580 0.50 . 1 . . . . . . . . 6540 1 908 . 1 1 88 88 LYS HA H 1 4.1300 0.03 . 1 . . . . . . . . 6540 1 909 . 1 1 88 88 LYS CB C 13 28.2570 0.50 . 1 . . . . . . . . 6540 1 910 . 1 1 88 88 LYS HB3 H 1 1.7800 0.03 . 2 . . . . . . . . 6540 1 911 . 1 1 88 88 LYS C C 13 178.962 0.50 . 1 . . . . . . . . 6540 1 912 . 1 1 88 88 LYS CG C 13 25.6300 0.50 . 1 . . . . . . . . 6540 1 913 . 1 1 88 88 LYS HG2 H 1 1.3300 0.03 . 2 . . . . . . . . 6540 1 914 . 1 1 88 88 LYS CD C 13 28.0200 0.50 . 1 . . . . . . . . 6540 1 915 . 1 1 88 88 LYS HD2 H 1 1.6000 0.03 . 2 . . . . . . . . 6540 1 916 . 1 1 88 88 LYS CE C 13 40.2500 0.50 . 1 . . . . . . . . 6540 1 917 . 1 1 88 88 LYS HE2 H 1 2.9300 0.03 . 2 . . . . . . . . 6540 1 918 . 1 1 89 89 PHE N N 15 112.3370 0.25 . 1 . . . . . . . . 6540 1 919 . 1 1 89 89 PHE H H 1 7.6030 0.03 . 1 . . . . . . . . 6540 1 920 . 1 1 89 89 PHE CA C 13 58.6200 0.50 . 1 . . . . . . . . 6540 1 921 . 1 1 89 89 PHE HA H 1 4.4300 0.03 . 1 . . . . . . . . 6540 1 922 . 1 1 89 89 PHE CB C 13 40.2700 0.50 . 1 . . . . . . . . 6540 1 923 . 1 1 89 89 PHE HB2 H 1 3.2300 0.03 . 2 . . . . . . . . 6540 1 924 . 1 1 89 89 PHE HB3 H 1 3.1200 0.03 . 2 . . . . . . . . 6540 1 925 . 1 1 89 89 PHE C C 13 175.548 0.50 . 1 . . . . . . . . 6540 1 926 . 1 1 90 90 MET N N 15 119.1000 0.25 . 1 . . . . . . . . 6540 1 927 . 1 1 90 90 MET H H 1 7.8150 0.03 . 1 . . . . . . . . 6540 1 928 . 1 1 90 90 MET CA C 13 55.0660 0.50 . 1 . . . . . . . . 6540 1 929 . 1 1 90 90 MET HA H 1 4.5400 0.03 . 1 . . . . . . . . 6540 1 930 . 1 1 90 90 MET CB C 13 34.0160 0.50 . 1 . . . . . . . . 6540 1 931 . 1 1 90 90 MET HB2 H 1 1.9700 0.03 . 2 . . . . . . . . 6540 1 932 . 1 1 90 90 MET C C 13 174.848 0.50 . 1 . . . . . . . . 6540 1 933 . 1 1 90 90 MET CG C 13 31.7500 0.50 . 1 . . . . . . . . 6540 1 934 . 1 1 90 90 MET HG2 H 1 2.0600 0.03 . 2 . . . . . . . . 6540 1 935 . 1 1 91 91 LYS N N 15 123.0500 0.25 . 1 . . . . . . . . 6540 1 936 . 1 1 91 91 LYS H H 1 8.4250 0.03 . 1 . . . . . . . . 6540 1 937 . 1 1 91 91 LYS CA C 13 55.7590 0.50 . 1 . . . . . . . . 6540 1 938 . 1 1 91 91 LYS HA H 1 4.4400 0.03 . 1 . . . . . . . . 6540 1 939 . 1 1 91 91 LYS CB C 13 33.7060 0.50 . 1 . . . . . . . . 6540 1 940 . 1 1 91 91 LYS HB2 H 1 1.8400 0.03 . 2 . . . . . . . . 6540 1 941 . 1 1 91 91 LYS C C 13 176.391 0.50 . 1 . . . . . . . . 6540 1 942 . 1 1 91 91 LYS CG C 13 25.3900 0.50 . 1 . . . . . . . . 6540 1 943 . 1 1 91 91 LYS HG2 H 1 1.5600 0.03 . 2 . . . . . . . . 6540 1 944 . 1 1 91 91 LYS CD C 13 29.4600 0.50 . 1 . . . . . . . . 6540 1 945 . 1 1 91 91 LYS HD2 H 1 1.4500 0.03 . 2 . . . . . . . . 6540 1 946 . 1 1 91 91 LYS CE C 13 40.3500 0.50 . 1 . . . . . . . . 6540 1 947 . 1 1 91 91 LYS HE2 H 1 2.8300 0.03 . 2 . . . . . . . . 6540 1 948 . 1 1 92 92 ILE N N 15 119.6620 0.25 . 1 . . . . . . . . 6540 1 949 . 1 1 92 92 ILE H H 1 8.4690 0.03 . 1 . . . . . . . . 6540 1 950 . 1 1 92 92 ILE CA C 13 59.2540 0.50 . 1 . . . . . . . . 6540 1 951 . 1 1 92 92 ILE HA H 1 3.9300 0.03 . 1 . . . . . . . . 6540 1 952 . 1 1 92 92 ILE CB C 13 40.1970 0.50 . 1 . . . . . . . . 6540 1 953 . 1 1 92 92 ILE HB H 1 1.6000 0.03 . 1 . . . . . . . . 6540 1 954 . 1 1 92 92 ILE C C 13 174.806 0.50 . 1 . . . . . . . . 6540 1 955 . 1 1 92 92 ILE CG1 C 13 24.7200 0.50 . 1 . . . . . . . . 6540 1 956 . 1 1 92 92 ILE HG12 H 1 1.2800 0.03 . 2 . . . . . . . . 6540 1 957 . 1 1 92 92 ILE HG13 H 1 0.9300 0.03 . 2 . . . . . . . . 6540 1 958 . 1 1 92 92 ILE CG2 C 13 24.0600 0.50 . 1 . . . . . . . . 6540 1 959 . 1 1 92 92 ILE HG21 H 1 0.6000 0.03 . 1 . . . . . . . . 6540 1 960 . 1 1 92 92 ILE HG22 H 1 0.6000 0.03 . 1 . . . . . . . . 6540 1 961 . 1 1 92 92 ILE HG23 H 1 0.6000 0.03 . 1 . . . . . . . . 6540 1 962 . 1 1 93 93 CYS N N 15 122.6220 0.25 . 1 . . . . . . . . 6540 1 963 . 1 1 93 93 CYS H H 1 7.8790 0.03 . 1 . . . . . . . . 6540 1 964 . 1 1 93 93 CYS CA C 13 57.9760 0.50 . 1 . . . . . . . . 6540 1 965 . 1 1 93 93 CYS HA H 1 4.4600 0.03 . 1 . . . . . . . . 6540 1 966 . 1 1 93 93 CYS CB C 13 28.3200 0.50 . 1 . . . . . . . . 6540 1 967 . 1 1 93 93 CYS HB2 H 1 2.8900 0.03 . 2 . . . . . . . . 6540 1 968 . 1 1 93 93 CYS C C 13 171.773 0.50 . 1 . . . . . . . . 6540 1 969 . 1 1 94 94 ALA N N 15 128.6230 0.25 . 1 . . . . . . . . 6540 1 970 . 1 1 94 94 ALA H H 1 8.9740 0.03 . 1 . . . . . . . . 6540 1 971 . 1 1 94 94 ALA CA C 13 49.6840 0.50 . 1 . . . . . . . . 6540 1 972 . 1 1 94 94 ALA HA H 1 4.6400 0.03 . 1 . . . . . . . . 6540 1 973 . 1 1 94 94 ALA CB C 13 22.7210 0.50 . 1 . . . . . . . . 6540 1 974 . 1 1 94 94 ALA HB1 H 1 1.1800 0.03 . 1 . . . . . . . . 6540 1 975 . 1 1 94 94 ALA HB2 H 1 1.1800 0.03 . 1 . . . . . . . . 6540 1 976 . 1 1 94 94 ALA HB3 H 1 1.1800 0.03 . 1 . . . . . . . . 6540 1 977 . 1 1 94 94 ALA C C 13 176.224 0.50 . 1 . . . . . . . . 6540 1 978 . 1 1 95 95 LEU N N 15 119.3370 0.25 . 1 . . . . . . . . 6540 1 979 . 1 1 95 95 LEU H H 1 9.0660 0.03 . 1 . . . . . . . . 6540 1 980 . 1 1 95 95 LEU CA C 13 56.2750 0.50 . 1 . . . . . . . . 6540 1 981 . 1 1 95 95 LEU HA H 1 4.6100 0.03 . 1 . . . . . . . . 6540 1 982 . 1 1 95 95 LEU CB C 13 42.8460 0.50 . 1 . . . . . . . . 6540 1 983 . 1 1 95 95 LEU HB2 H 1 1.6500 0.03 . 2 . . . . . . . . 6540 1 984 . 1 1 95 95 LEU C C 13 179.02 0.50 . 1 . . . . . . . . 6540 1 985 . 1 1 95 95 LEU CG C 13 28.9800 0.50 . 1 . . . . . . . . 6540 1 986 . 1 1 95 95 LEU HG H 1 1.4200 0.03 . 1 . . . . . . . . 6540 1 987 . 1 1 95 95 LEU CD1 C 13 25.8700 0.50 . 1 . . . . . . . . 6540 1 988 . 1 1 95 95 LEU HD21 H 1 0.8900 0.03 . 2 . . . . . . . . 6540 1 989 . 1 1 95 95 LEU HD22 H 1 0.8900 0.03 . 2 . . . . . . . . 6540 1 990 . 1 1 95 95 LEU HD23 H 1 0.8900 0.03 . 2 . . . . . . . . 6540 1 991 . 1 1 96 96 THR N N 15 110.1970 0.25 . 1 . . . . . . . . 6540 1 992 . 1 1 96 96 THR H H 1 7.1440 0.03 . 1 . . . . . . . . 6540 1 993 . 1 1 96 96 THR CA C 13 59.2580 0.50 . 1 . . . . . . . . 6540 1 994 . 1 1 96 96 THR HA H 1 4.4200 0.03 . 1 . . . . . . . . 6540 1 995 . 1 1 96 96 THR CB C 13 71.1580 0.50 . 1 . . . . . . . . 6540 1 996 . 1 1 96 96 THR HB H 1 4.1500 0.03 . 1 . . . . . . . . 6540 1 997 . 1 1 96 96 THR C C 13 179.03 0.50 . 1 . . . . . . . . 6540 1 998 . 1 1 96 96 THR CG2 C 13 22.3700 0.50 . 1 . . . . . . . . 6540 1 999 . 1 1 96 96 THR HG21 H 1 0.8700 0.03 . 1 . . . . . . . . 6540 1 1000 . 1 1 96 96 THR HG22 H 1 0.8700 0.03 . 1 . . . . . . . . 6540 1 1001 . 1 1 96 96 THR HG23 H 1 0.8700 0.03 . 1 . . . . . . . . 6540 1 1002 . 1 1 97 97 LYS CA C 13 60.2500 0.50 . 1 . . . . . . . . 6540 1 1003 . 1 1 97 97 LYS HA H 1 4.3200 0.03 . 1 . . . . . . . . 6540 1 1004 . 1 1 97 97 LYS CB C 13 31.6550 0.50 . 1 . . . . . . . . 6540 1 1005 . 1 1 97 97 LYS HB2 H 1 1.8600 0.03 . 2 . . . . . . . . 6540 1 1006 . 1 1 97 97 LYS C C 13 178.430 0.50 . 1 . . . . . . . . 6540 1 1007 . 1 1 97 97 LYS CG C 13 24.9900 0.50 . 1 . . . . . . . . 6540 1 1008 . 1 1 97 97 LYS HG2 H 1 1.3500 0.03 . 2 . . . . . . . . 6540 1 1009 . 1 1 97 97 LYS CD C 13 29.2200 0.50 . 1 . . . . . . . . 6540 1 1010 . 1 1 97 97 LYS HD2 H 1 1.7000 0.03 . 2 . . . . . . . . 6540 1 1011 . 1 1 97 97 LYS CE C 13 43.3600 0.50 . 1 . . . . . . . . 6540 1 1012 . 1 1 97 97 LYS HE2 H 1 2.9100 0.03 . 2 . . . . . . . . 6540 1 1013 . 1 1 98 98 LYS N N 15 119.4740 0.25 . 1 . . . . . . . . 6540 1 1014 . 1 1 98 98 LYS H H 1 8.1950 0.03 . 1 . . . . . . . . 6540 1 1015 . 1 1 98 98 LYS CA C 13 59.7590 0.50 . 1 . . . . . . . . 6540 1 1016 . 1 1 98 98 LYS HA H 1 4.1500 0.03 . 1 . . . . . . . . 6540 1 1017 . 1 1 98 98 LYS CB C 13 32.8740 0.50 . 1 . . . . . . . . 6540 1 1018 . 1 1 98 98 LYS HB2 H 1 1.7200 0.03 . 2 . . . . . . . . 6540 1 1019 . 1 1 98 98 LYS C C 13 180.18 0.50 . 1 . . . . . . . . 6540 1 1020 . 1 1 98 98 LYS CG C 13 24.9100 0.50 . 1 . . . . . . . . 6540 1 1021 . 1 1 98 98 LYS HG2 H 1 1.3600 0.03 . 2 . . . . . . . . 6540 1 1022 . 1 1 98 98 LYS CD C 13 28.6300 0.50 . 1 . . . . . . . . 6540 1 1023 . 1 1 98 98 LYS HD2 H 1 1.6000 0.03 . 2 . . . . . . . . 6540 1 1024 . 1 1 98 98 LYS CE C 13 42.2200 0.50 . 1 . . . . . . . . 6540 1 1025 . 1 1 98 98 LYS HE2 H 1 2.9200 0.03 . 2 . . . . . . . . 6540 1 1026 . 1 1 99 99 GLY N N 15 108.4070 0.25 . 1 . . . . . . . . 6540 1 1027 . 1 1 99 99 GLY H H 1 8.4470 0.03 . 1 . . . . . . . . 6540 1 1028 . 1 1 99 99 GLY CA C 13 48.3250 0.50 . 1 . . . . . . . . 6540 1 1029 . 1 1 99 99 GLY HA2 H 1 4.4700 0.03 . 2 . . . . . . . . 6540 1 1030 . 1 1 99 99 GLY C C 13 174.659 0.50 . 1 . . . . . . . . 6540 1 1031 . 1 1 100 100 ARG N N 15 122.0230 0.25 . 1 . . . . . . . . 6540 1 1032 . 1 1 100 100 ARG H H 1 9.0570 0.03 . 1 . . . . . . . . 6540 1 1033 . 1 1 100 100 ARG CA C 13 60.0030 0.50 . 1 . . . . . . . . 6540 1 1034 . 1 1 100 100 ARG HA H 1 3.9600 0.03 . 1 . . . . . . . . 6540 1 1035 . 1 1 100 100 ARG CB C 13 29.5450 0.50 . 1 . . . . . . . . 6540 1 1036 . 1 1 100 100 ARG HB2 H 1 1.6100 0.03 . 2 . . . . . . . . 6540 1 1037 . 1 1 100 100 ARG C C 13 178.641 0.50 . 1 . . . . . . . . 6540 1 1038 . 1 1 100 100 ARG CG C 13 25.6000 0.50 . 1 . . . . . . . . 6540 1 1039 . 1 1 100 100 ARG HG2 H 1 1.7800 0.03 . 2 . . . . . . . . 6540 1 1040 . 1 1 100 100 ARG CD C 13 42.4000 0.50 . 1 . . . . . . . . 6540 1 1041 . 1 1 100 100 ARG HD2 H 1 2.9200 0.03 . 2 . . . . . . . . 6540 1 1042 . 1 1 101 101 ASN N N 15 118.3040 0.25 . 1 . . . . . . . . 6540 1 1043 . 1 1 101 101 ASN H H 1 8.7040 0.03 . 1 . . . . . . . . 6540 1 1044 . 1 1 101 101 ASN CA C 13 56.0920 0.50 . 1 . . . . . . . . 6540 1 1045 . 1 1 101 101 ASN HA H 1 4.5000 0.03 . 1 . . . . . . . . 6540 1 1046 . 1 1 101 101 ASN CB C 13 38.2830 0.50 . 1 . . . . . . . . 6540 1 1047 . 1 1 101 101 ASN HB2 H 1 2.9400 0.03 . 2 . . . . . . . . 6540 1 1048 . 1 1 101 101 ASN C C 13 177.679 0.50 . 1 . . . . . . . . 6540 1 1049 . 1 1 101 101 ASN ND2 N 15 111.4180 0.25 . 1 . . . . . . . . 6540 1 1050 . 1 1 101 101 ASN HD21 H 1 7.6680 0.03 . 1 . . . . . . . . 6540 1 1051 . 1 1 101 101 ASN HD22 H 1 6.8990 0.03 . 1 . . . . . . . . 6540 1 1052 . 1 1 102 102 TRP N N 15 121.8000 0.25 . 1 . . . . . . . . 6540 1 1053 . 1 1 102 102 TRP H H 1 8.3190 0.03 . 1 . . . . . . . . 6540 1 1054 . 1 1 102 102 TRP CA C 13 62.8750 0.50 . 1 . . . . . . . . 6540 1 1055 . 1 1 102 102 TRP HA H 1 4.4800 0.03 . 1 . . . . . . . . 6540 1 1056 . 1 1 102 102 TRP CB C 13 29.3360 0.50 . 1 . . . . . . . . 6540 1 1057 . 1 1 102 102 TRP HB2 H 1 2.8800 0.03 . 2 . . . . . . . . 6540 1 1058 . 1 1 102 102 TRP C C 13 178.235 0.50 . 1 . . . . . . . . 6540 1 1059 . 1 1 102 102 TRP NE1 N 15 128.858 0.25 . 1 . . . . . . . . 6540 1 1060 . 1 1 102 102 TRP HE1 H 1 10.4700 0.03 . 1 . . . . . . . . 6540 1 1061 . 1 1 102 102 TRP CD1 C 13 128.22 0.50 . 1 . . . . . . . . 6540 1 1062 . 1 1 102 102 TRP HD1 H 1 7.48 0.03 . 1 . . . . . . . . 6540 1 1063 . 1 1 102 102 TRP CZ2 C 13 113.16 0.50 . 1 . . . . . . . . 6540 1 1064 . 1 1 102 102 TRP HZ2 H 1 6.68 0.03 . 1 . . . . . . . . 6540 1 1065 . 1 1 102 102 TRP CH2 C 13 124.91 0.50 . 1 . . . . . . . . 6540 1 1066 . 1 1 102 102 TRP HH2 H 1 6.85 0.03 . 1 . . . . . . . . 6540 1 1067 . 1 1 102 102 TRP CZ3 C 13 120.78 0.50 . 1 . . . . . . . . 6540 1 1068 . 1 1 102 102 TRP HZ3 H 1 7.209 0.03 . 1 . . . . . . . . 6540 1 1069 . 1 1 102 102 TRP CE3 C 13 121.14 0.50 . 1 . . . . . . . . 6540 1 1070 . 1 1 102 102 TRP HE3 H 1 7.30 0.03 . 1 . . . . . . . . 6540 1 1071 . 1 1 103 103 LEU N N 15 119.6340 0.25 . 1 . . . . . . . . 6540 1 1072 . 1 1 103 103 LEU H H 1 8.6170 0.03 . 1 . . . . . . . . 6540 1 1073 . 1 1 103 103 LEU CA C 13 58.0890 0.50 . 1 . . . . . . . . 6540 1 1074 . 1 1 103 103 LEU HA H 1 3.9900 0.03 . 1 . . . . . . . . 6540 1 1075 . 1 1 103 103 LEU CB C 13 42.9800 0.50 . 1 . . . . . . . . 6540 1 1076 . 1 1 103 103 LEU HB2 H 1 1.8100 0.03 . 2 . . . . . . . . 6540 1 1077 . 1 1 103 103 LEU C C 13 178.425 0.50 . 1 . . . . . . . . 6540 1 1078 . 1 1 103 103 LEU CG C 13 27.2200 0.50 . 1 . . . . . . . . 6540 1 1079 . 1 1 103 103 LEU HG H 1 1.5900 0.03 . 1 . . . . . . . . 6540 1 1080 . 1 1 103 103 LEU CD1 C 13 22.3700 0.50 . 1 . . . . . . . . 6540 1 1081 . 1 1 103 103 LEU HD11 H 1 0.9000 0.03 . 2 . . . . . . . . 6540 1 1082 . 1 1 103 103 LEU HD12 H 1 0.9000 0.03 . 2 . . . . . . . . 6540 1 1083 . 1 1 103 103 LEU HD13 H 1 0.9000 0.03 . 2 . . . . . . . . 6540 1 1084 . 1 1 103 103 LEU CD2 C 13 21.2000 0.50 . 1 . . . . . . . . 6540 1 1085 . 1 1 103 103 LEU HD21 H 1 0.8100 0.03 . 2 . . . . . . . . 6540 1 1086 . 1 1 103 103 LEU HD22 H 1 0.8100 0.03 . 2 . . . . . . . . 6540 1 1087 . 1 1 103 103 LEU HD23 H 1 0.8100 0.03 . 2 . . . . . . . . 6540 1 1088 . 1 1 104 104 HIS N N 15 117.0270 0.25 . 1 . . . . . . . . 6540 1 1089 . 1 1 104 104 HIS H H 1 8.2990 0.03 . 1 . . . . . . . . 6540 1 1090 . 1 1 104 104 HIS CA C 13 59.2300 0.50 . 1 . . . . . . . . 6540 1 1091 . 1 1 104 104 HIS HA H 1 4.4200 0.03 . 1 . . . . . . . . 6540 1 1092 . 1 1 104 104 HIS CB C 13 30.4910 0.50 . 1 . . . . . . . . 6540 1 1093 . 1 1 104 104 HIS HB2 H 1 3.2500 0.03 . 2 . . . . . . . . 6540 1 1094 . 1 1 104 104 HIS C C 13 179.399 0.50 . 1 . . . . . . . . 6540 1 1095 . 1 1 104 104 HIS CE1 C 13 137.95 0.50 . 1 . . . . . . . . 6540 1 1096 . 1 1 104 104 HIS HE1 H 1 7.74 0.03 . 1 . . . . . . . . 6540 1 1097 . 1 1 104 104 HIS CD2 C 13 119.18 0.50 . 1 . . . . . . . . 6540 1 1098 . 1 1 104 104 HIS HD2 H 1 6.89 0.03 . 1 . . . . . . . . 6540 1 1099 . 1 1 105 105 LYS N N 15 119.5650 0.25 . 1 . . . . . . . . 6540 1 1100 . 1 1 105 105 LYS H H 1 7.6080 0.03 . 1 . . . . . . . . 6540 1 1101 . 1 1 105 105 LYS CA C 13 58.6030 0.50 . 1 . . . . . . . . 6540 1 1102 . 1 1 105 105 LYS HA H 1 3.96000 0.03 . 1 . . . . . . . . 6540 1 1103 . 1 1 105 105 LYS CB C 13 32.2030 0.50 . 1 . . . . . . . . 6540 1 1104 . 1 1 105 105 LYS HB2 H 1 1.7100 0.03 . 2 . . . . . . . . 6540 1 1105 . 1 1 105 105 LYS C C 13 174.535 0.50 . 1 . . . . . . . . 6540 1 1106 . 1 1 105 105 LYS CG C 13 25.1100 0.50 . 1 . . . . . . . . 6540 1 1107 . 1 1 105 105 LYS HG2 H 1 1.3700 0.03 . 2 . . . . . . . . 6540 1 1108 . 1 1 105 105 LYS CD C 13 28.9800 0.50 . 1 . . . . . . . . 6540 1 1109 . 1 1 105 105 LYS HD2 H 1 1.5800 0.03 . 2 . . . . . . . . 6540 1 1110 . 1 1 105 105 LYS CE C 13 42.4000 0.50 . 1 . . . . . . . . 6540 1 1111 . 1 1 105 105 LYS HE2 H 1 3.2100 0.03 . 2 . . . . . . . . 6540 1 1112 . 1 1 106 106 ALA N N 15 122.3990 0.25 . 1 . . . . . . . . 6540 1 1113 . 1 1 106 106 ALA H H 1 8.1550 0.03 . 1 . . . . . . . . 6540 1 1114 . 1 1 106 106 ALA CA C 13 53.1420 0.50 . 1 . . . . . . . . 6540 1 1115 . 1 1 106 106 ALA HA H 1 4.1000 0.03 . 1 . . . . . . . . 6540 1 1116 . 1 1 106 106 ALA CB C 13 18.4050 0.50 . 1 . . . . . . . . 6540 1 1117 . 1 1 106 106 ALA HB1 H 1 1.1000 0.03 . 1 . . . . . . . . 6540 1 1118 . 1 1 106 106 ALA HB2 H 1 1.1000 0.03 . 1 . . . . . . . . 6540 1 1119 . 1 1 106 106 ALA HB3 H 1 1.1000 0.03 . 1 . . . . . . . . 6540 1 1120 . 1 1 106 106 ALA C C 13 177.888 0.50 . 1 . . . . . . . . 6540 1 1121 . 1 1 107 107 ASN N N 15 114.5720 0.25 . 1 . . . . . . . . 6540 1 1122 . 1 1 107 107 ASN H H 1 7.8320 0.03 . 1 . . . . . . . . 6540 1 1123 . 1 1 107 107 ASN CA C 13 54.9040 0.50 . 1 . . . . . . . . 6540 1 1124 . 1 1 107 107 ASN HA H 1 4.5300 0.03 . 1 . . . . . . . . 6540 1 1125 . 1 1 107 107 ASN CB C 13 39.6930 0.50 . 1 . . . . . . . . 6540 1 1126 . 1 1 107 107 ASN HB2 H 1 2.8700 0.03 . 2 . . . . . . . . 6540 1 1127 . 1 1 107 107 ASN HB3 H 1 2.7500 0.03 . 2 . . . . . . . . 6540 1 1128 . 1 1 107 107 ASN C C 13 176.27 0.50 . 1 . . . . . . . . 6540 1 1129 . 1 1 107 107 ASN ND2 N 15 112.6330 0.25 . 1 . . . . . . . . 6540 1 1130 . 1 1 107 107 ASN HD21 H 1 7.480 0.03 . 1 . . . . . . . . 6540 1 1131 . 1 1 107 107 ASN HD22 H 1 6.984 0.03 . 1 . . . . . . . . 6540 1 1132 . 1 1 108 108 THR N N 15 109.5720 0.25 . 1 . . . . . . . . 6540 1 1133 . 1 1 108 108 THR H H 1 7.6130 0.03 . 1 . . . . . . . . 6540 1 1134 . 1 1 108 108 THR CA C 13 63.0790 0.50 . 1 . . . . . . . . 6540 1 1135 . 1 1 108 108 THR HA H 1 4.2000 0.03 . 1 . . . . . . . . 6540 1 1136 . 1 1 108 108 THR CB C 13 70.0270 0.50 . 1 . . . . . . . . 6540 1 1137 . 1 1 108 108 THR HB H 1 4.2000 0.03 . 1 . . . . . . . . 6540 1 1138 . 1 1 108 108 THR C C 13 174.393 0.50 . 1 . . . . . . . . 6540 1 1139 . 1 1 108 108 THR CG2 C 13 21.7900 0.50 . 1 . . . . . . . . 6540 1 1140 . 1 1 108 108 THR HG21 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1141 . 1 1 108 108 THR HG22 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1142 . 1 1 108 108 THR HG23 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1143 . 1 1 109 109 GLU N N 15 121.5470 0.25 . 1 . . . . . . . . 6540 1 1144 . 1 1 109 109 GLU H H 1 8.0820 0.03 . 1 . . . . . . . . 6540 1 1145 . 1 1 109 109 GLU CA C 13 56.1540 0.50 . 1 . . . . . . . . 6540 1 1146 . 1 1 109 109 GLU HA H 1 4.3500 0.03 . 1 . . . . . . . . 6540 1 1147 . 1 1 109 109 GLU CB C 13 31.3280 0.50 . 1 . . . . . . . . 6540 1 1148 . 1 1 109 109 GLU HB2 H 1 1.8500 0.03 . 2 . . . . . . . . 6540 1 1149 . 1 1 109 109 GLU C C 13 174.986 0.50 . 1 . . . . . . . . 6540 1 1150 . 1 1 109 109 GLU CG C 13 35.9300 0.50 . 1 . . . . . . . . 6540 1 1151 . 1 1 109 109 GLU HG2 H 1 2.0800 0.03 . 2 . . . . . . . . 6540 1 1152 . 1 1 110 110 SER N N 15 115.2660 0.25 . 1 . . . . . . . . 6540 1 1153 . 1 1 110 110 SER H H 1 7.9780 0.03 . 1 . . . . . . . . 6540 1 1154 . 1 1 110 110 SER CA C 13 58.8600 0.50 . 1 . . . . . . . . 6540 1 1155 . 1 1 110 110 SER HA H 1 4.1900 0.03 . 1 . . . . . . . . 6540 1 1156 . 1 1 110 110 SER CB C 13 63.3750 0.50 . 1 . . . . . . . . 6540 1 1157 . 1 1 110 110 SER HB3 H 1 3.7000 0.03 . 2 . . . . . . . . 6540 1 1158 . 1 1 110 110 SER C C 13 175.02 0.50 . 1 . . . . . . . . 6540 1 1159 . 1 1 111 111 GLN N N 15 110.4350 0.25 . 1 . . . . . . . . 6540 1 1160 . 1 1 111 111 GLN H H 1 8.3320 0.03 . 1 . . . . . . . . 6540 1 1161 . 1 1 111 111 GLN CA C 13 54.3890 0.50 . 1 . . . . . . . . 6540 1 1162 . 1 1 111 111 GLN HA H 1 4.3200 0.03 . 1 . . . . . . . . 6540 1 1163 . 1 1 111 111 GLN CB C 13 29.8650 0.50 . 1 . . . . . . . . 6540 1 1164 . 1 1 111 111 GLN HB2 H 1 1.9100 0.03 . 2 . . . . . . . . 6540 1 1165 . 1 1 111 111 GLN HB3 H 1 1.8300 0.03 . 2 . . . . . . . . 6540 1 1166 . 1 1 111 111 GLN C C 13 175.259 0.50 . 1 . . . . . . . . 6540 1 1167 . 1 1 111 111 GLN CG C 13 33.0600 0.50 . 1 . . . . . . . . 6540 1 1168 . 1 1 111 111 GLN HG2 H 1 2.1100 0.03 . 2 . . . . . . . . 6540 1 1169 . 1 1 111 111 GLN NE2 N 15 112.0140 0.25 . 1 . . . . . . . . 6540 1 1170 . 1 1 111 111 GLN HE21 H 1 6.6140 0.03 . 1 . . . . . . . . 6540 1 1171 . 1 1 111 111 GLN HE22 H 1 6.3520 0.03 . 1 . . . . . . . . 6540 1 1172 . 1 1 112 112 SER N N 15 117.3990 0.25 . 1 . . . . . . . . 6540 1 1173 . 1 1 112 112 SER H H 1 8.3880 0.03 . 1 . . . . . . . . 6540 1 1174 . 1 1 112 112 SER CA C 13 57.7970 0.50 . 1 . . . . . . . . 6540 1 1175 . 1 1 112 112 SER HA H 1 5.2700 0.03 . 1 . . . . . . . . 6540 1 1176 . 1 1 112 112 SER CB C 13 65.0490 0.50 . 1 . . . . . . . . 6540 1 1177 . 1 1 112 112 SER HB3 H 1 3.7400 0.03 . 2 . . . . . . . . 6540 1 1178 . 1 1 112 112 SER C C 13 174.668 0.50 . 1 . . . . . . . . 6540 1 1179 . 1 1 113 113 LEU N N 15 128.6340 0.25 . 1 . . . . . . . . 6540 1 1180 . 1 1 113 113 LEU H H 1 8.8470 0.03 . 1 . . . . . . . . 6540 1 1181 . 1 1 113 113 LEU CA C 13 57.5040 0.50 . 1 . . . . . . . . 6540 1 1182 . 1 1 113 113 LEU HA H 1 4.6500 0.03 . 1 . . . . . . . . 6540 1 1183 . 1 1 113 113 LEU CB C 13 42.9340 0.50 . 1 . . . . . . . . 6540 1 1184 . 1 1 113 113 LEU HB3 H 1 1.3700 0.03 . 2 . . . . . . . . 6540 1 1185 . 1 1 113 113 LEU C C 13 173.985 0.50 . 1 . . . . . . . . 6540 1 1186 . 1 1 114 114 ILE N N 15 127.5830 0.25 . 1 . . . . . . . . 6540 1 1187 . 1 1 114 114 ILE H H 1 8.6920 0.03 . 1 . . . . . . . . 6540 1 1188 . 1 1 114 114 ILE CA C 13 60.6500 0.50 . 1 . . . . . . . . 6540 1 1189 . 1 1 114 114 ILE HA H 1 4.1700 0.03 . 1 . . . . . . . . 6540 1 1190 . 1 1 114 114 ILE CB C 13 37.1400 0.50 . 1 . . . . . . . . 6540 1 1191 . 1 1 114 114 ILE HB H 1 1.8900 0.03 . 1 . . . . . . . . 6540 1 1192 . 1 1 114 114 ILE C C 13 176.316 0.50 . 1 . . . . . . . . 6540 1 1193 . 1 1 114 114 ILE HG12 H 1 1.5500 0.03 . 2 . . . . . . . . 6540 1 1194 . 1 1 114 114 ILE HG13 H 1 1.1100 0.03 . 2 . . . . . . . . 6540 1 1195 . 1 1 114 114 ILE CG2 C 13 17.7200 0.50 . 1 . . . . . . . . 6540 1 1196 . 1 1 114 114 ILE HG21 H 1 1.0600 0.03 . 1 . . . . . . . . 6540 1 1197 . 1 1 114 114 ILE HG22 H 1 1.0600 0.03 . 1 . . . . . . . . 6540 1 1198 . 1 1 114 114 ILE HG23 H 1 1.0600 0.03 . 1 . . . . . . . . 6540 1 1199 . 1 1 114 114 ILE CD1 C 13 11.5400 0.50 . 1 . . . . . . . . 6540 1 1200 . 1 1 114 114 ILE HD11 H 1 0.8600 0.03 . 1 . . . . . . . . 6540 1 1201 . 1 1 114 114 ILE HD12 H 1 0.8600 0.03 . 1 . . . . . . . . 6540 1 1202 . 1 1 114 114 ILE HD13 H 1 0.8600 0.03 . 1 . . . . . . . . 6540 1 1203 . 1 1 115 115 LEU N N 15 127.1480 0.25 . 1 . . . . . . . . 6540 1 1204 . 1 1 115 115 LEU H H 1 8.8160 0.03 . 1 . . . . . . . . 6540 1 1205 . 1 1 115 115 LEU CA C 13 53.2310 0.50 . 1 . . . . . . . . 6540 1 1206 . 1 1 115 115 LEU HA H 1 4.7900 0.03 . 1 . . . . . . . . 6540 1 1207 . 1 1 115 115 LEU CB C 13 45.1750 0.50 . 1 . . . . . . . . 6540 1 1208 . 1 1 115 115 LEU HB2 H 1 1.7800 0.03 . 2 . . . . . . . . 6540 1 1209 . 1 1 115 115 LEU C C 13 176.107 0.50 . 1 . . . . . . . . 6540 1 1210 . 1 1 115 115 LEU CG C 13 36.4100 0.50 . 1 . . . . . . . . 6540 1 1211 . 1 1 115 115 LEU HG H 1 1.5900 0.03 . 1 . . . . . . . . 6540 1 1212 . 1 1 115 115 LEU CD1 C 13 25.5200 0.50 . 1 . . . . . . . . 6540 1 1213 . 1 1 115 115 LEU HD11 H 1 0.5300 0.03 . 2 . . . . . . . . 6540 1 1214 . 1 1 115 115 LEU HD12 H 1 0.5300 0.03 . 2 . . . . . . . . 6540 1 1215 . 1 1 115 115 LEU HD13 H 1 0.5300 0.03 . 2 . . . . . . . . 6540 1 1216 . 1 1 115 115 LEU CD2 C 13 23.3100 0.50 . 1 . . . . . . . . 6540 1 1217 . 1 1 115 115 LEU HD21 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 1218 . 1 1 115 115 LEU HD22 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 1219 . 1 1 115 115 LEU HD23 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 1220 . 1 1 116 116 GLN N N 15 119.7730 0.25 . 1 . . . . . . . . 6540 1 1221 . 1 1 116 116 GLN H H 1 8.3590 0.03 . 1 . . . . . . . . 6540 1 1222 . 1 1 116 116 GLN CA C 13 55.8060 0.50 . 1 . . . . . . . . 6540 1 1223 . 1 1 116 116 GLN HA H 1 4.3700 0.03 . 1 . . . . . . . . 6540 1 1224 . 1 1 116 116 GLN CB C 13 28.9690 0.50 . 1 . . . . . . . . 6540 1 1225 . 1 1 116 116 GLN HB2 H 1 1.9500 0.03 . 2 . . . . . . . . 6540 1 1226 . 1 1 116 116 GLN HB3 H 1 1.8500 0.03 . 2 . . . . . . . . 6540 1 1227 . 1 1 116 116 GLN C C 13 177.702 0.50 . 1 . . . . . . . . 6540 1 1228 . 1 1 116 116 GLN CG C 13 34.0200 0.50 . 1 . . . . . . . . 6540 1 1229 . 1 1 116 116 GLN HG2 H 1 2.2700 0.03 . 2 . . . . . . . . 6540 1 1230 . 1 1 116 116 GLN NE2 N 15 112.6700 0.25 . 1 . . . . . . . . 6540 1 1231 . 1 1 116 116 GLN HE21 H 1 7.5480 0.03 . 1 . . . . . . . . 6540 1 1232 . 1 1 116 116 GLN HE22 H 1 6.8370 0.03 . 1 . . . . . . . . 6540 1 1233 . 1 1 117 117 ALA N N 15 125.8220 0.25 . 1 . . . . . . . . 6540 1 1234 . 1 1 117 117 ALA H H 1 8.4120 0.03 . 1 . . . . . . . . 6540 1 1235 . 1 1 117 117 ALA CA C 13 51.9780 0.50 . 1 . . . . . . . . 6540 1 1236 . 1 1 117 117 ALA HA H 1 4.2100 0.03 . 1 . . . . . . . . 6540 1 1237 . 1 1 117 117 ALA CB C 13 20.0170 0.50 . 1 . . . . . . . . 6540 1 1238 . 1 1 117 117 ALA HB1 H 1 1.2800 0.03 . 1 . . . . . . . . 6540 1 1239 . 1 1 117 117 ALA HB2 H 1 1.2800 0.03 . 1 . . . . . . . . 6540 1 1240 . 1 1 117 117 ALA HB3 H 1 1.2800 0.03 . 1 . . . . . . . . 6540 1 1241 . 1 1 117 117 ALA C C 13 177.278 0.50 . 1 . . . . . . . . 6540 1 1242 . 1 1 118 118 ASN N N 15 117.3560 0.25 . 1 . . . . . . . . 6540 1 1243 . 1 1 118 118 ASN H H 1 7.6420 0.03 . 1 . . . . . . . . 6540 1 1244 . 1 1 118 118 ASN CA C 13 52.4350 0.50 . 1 . . . . . . . . 6540 1 1245 . 1 1 118 118 ASN HA H 1 4.6600 0.03 . 1 . . . . . . . . 6540 1 1246 . 1 1 118 118 ASN CB C 13 39.6120 0.50 . 1 . . . . . . . . 6540 1 1247 . 1 1 118 118 ASN HB2 H 1 2.9400 0.03 . 2 . . . . . . . . 6540 1 1248 . 1 1 118 118 ASN HB3 H 1 2.8000 0.03 . 2 . . . . . . . . 6540 1 1249 . 1 1 118 118 ASN C C 13 175.931 0.50 . 1 . . . . . . . . 6540 1 1250 . 1 1 118 118 ASN ND2 N 15 111.9440 0.25 . 1 . . . . . . . . 6540 1 1251 . 1 1 118 118 ASN HD21 H 1 7.5000 0.03 . 1 . . . . . . . . 6540 1 1252 . 1 1 118 118 ASN HD22 H 1 6.7360 0.03 . 1 . . . . . . . . 6540 1 1253 . 1 1 119 119 GLU N N 15 120.1790 0.25 . 1 . . . . . . . . 6540 1 1254 . 1 1 119 119 GLU H H 1 8.7580 0.03 . 1 . . . . . . . . 6540 1 1255 . 1 1 119 119 GLU CA C 13 58.6670 0.50 . 1 . . . . . . . . 6540 1 1256 . 1 1 119 119 GLU HA H 1 4.0000 0.03 . 1 . . . . . . . . 6540 1 1257 . 1 1 119 119 GLU CB C 13 29.7050 0.50 . 1 . . . . . . . . 6540 1 1258 . 1 1 119 119 GLU HB2 H 1 1.9400 0.03 . 2 . . . . . . . . 6540 1 1259 . 1 1 119 119 GLU C C 13 177.249 0.50 . 1 . . . . . . . . 6540 1 1260 . 1 1 119 119 GLU CG C 13 36.4100 0.50 . 1 . . . . . . . . 6540 1 1261 . 1 1 119 119 GLU HG2 H 1 2.2200 0.03 . 2 . . . . . . . . 6540 1 1262 . 1 1 120 120 GLU N N 15 118.0830 0.25 . 1 . . . . . . . . 6540 1 1263 . 1 1 120 120 GLU H H 1 8.1360 0.03 . 1 . . . . . . . . 6540 1 1264 . 1 1 120 120 GLU CA C 13 58.2450 0.50 . 1 . . . . . . . . 6540 1 1265 . 1 1 120 120 GLU HA H 1 4.0300 0.03 . 1 . . . . . . . . 6540 1 1266 . 1 1 120 120 GLU CB C 13 29.9120 0.50 . 1 . . . . . . . . 6540 1 1267 . 1 1 120 120 GLU HB2 H 1 1.8500 0.03 . 2 . . . . . . . . 6540 1 1268 . 1 1 120 120 GLU C C 13 177.284 0.50 . 1 . . . . . . . . 6540 1 1269 . 1 1 120 120 GLU CG C 13 36.6500 0.50 . 1 . . . . . . . . 6540 1 1270 . 1 1 120 120 GLU HG2 H 1 2.1300 0.03 . 2 . . . . . . . . 6540 1 1271 . 1 1 121 121 LEU N N 15 116.8510 0.25 . 1 . . . . . . . . 6540 1 1272 . 1 1 121 121 LEU H H 1 7.6860 0.03 . 1 . . . . . . . . 6540 1 1273 . 1 1 121 121 LEU CA C 13 54.6640 0.50 . 1 . . . . . . . . 6540 1 1274 . 1 1 121 121 LEU HA H 1 4.3100 0.03 . 1 . . . . . . . . 6540 1 1275 . 1 1 121 121 LEU CB C 13 43.3930 0.50 . 1 . . . . . . . . 6540 1 1276 . 1 1 121 121 LEU HB2 H 1 1.4700 0.03 . 2 . . . . . . . . 6540 1 1277 . 1 1 121 121 LEU C C 13 177.334 0.50 . 1 . . . . . . . . 6540 1 1278 . 1 1 121 121 LEU CG C 13 25.3900 0.50 . 1 . . . . . . . . 6540 1 1279 . 1 1 121 121 LEU HG H 1 1.3500 0.03 . 1 . . . . . . . . 6540 1 1280 . 1 1 121 121 LEU CD1 C 13 25.39000 0.50 . 1 . . . . . . . . 6540 1 1281 . 1 1 121 121 LEU HD11 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 1282 . 1 1 121 121 LEU HD12 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 1283 . 1 1 121 121 LEU HD13 H 1 0.8000 0.03 . 2 . . . . . . . . 6540 1 1284 . 1 1 121 121 LEU CD2 C 13 22.3500 0.50 . 1 . . . . . . . . 6540 1 1285 . 1 1 121 121 LEU HD21 H 1 0.7300 0.03 . 2 . . . . . . . . 6540 1 1286 . 1 1 121 121 LEU HD22 H 1 0.7300 0.03 . 2 . . . . . . . . 6540 1 1287 . 1 1 121 121 LEU HD23 H 1 0.7300 0.03 . 2 . . . . . . . . 6540 1 1288 . 1 1 122 122 CYS N N 15 118.3520 0.25 . 1 . . . . . . . . 6540 1 1289 . 1 1 122 122 CYS H H 1 7.8540 0.03 . 1 . . . . . . . . 6540 1 1290 . 1 1 122 122 CYS CA C 13 56.6280 0.50 . 1 . . . . . . . . 6540 1 1291 . 1 1 122 122 CYS HA H 1 4.4400 0.03 . 1 . . . . . . . . 6540 1 1292 . 1 1 122 122 CYS CB C 13 27.8670 0.50 . 1 . . . . . . . . 6540 1 1293 . 1 1 122 122 CYS HB2 H 1 2.5100 0.03 . 2 . . . . . . . . 6540 1 1294 . 1 1 122 122 CYS C C 13 177.35 0.50 . 1 . . . . . . . . 6540 1 1295 . 1 1 123 123 PRO CA C 13 63.2580 0.50 . 1 . . . . . . . . 6540 1 1296 . 1 1 123 123 PRO HA H 1 4.4400 0.03 . 1 . . . . . . . . 6540 1 1297 . 1 1 123 123 PRO CB C 13 31.8340 0.50 . 1 . . . . . . . . 6540 1 1298 . 1 1 123 123 PRO HB2 H 1 2.0500 0.03 . 2 . . . . . . . . 6540 1 1299 . 1 1 123 123 PRO HB3 H 1 2.4600 0.03 . 2 . . . . . . . . 6540 1 1300 . 1 1 123 123 PRO C C 13 177.052 0.50 . 1 . . . . . . . . 6540 1 1301 . 1 1 123 123 PRO CG C 13 27.0700 0.50 . 1 . . . . . . . . 6540 1 1302 . 1 1 123 123 PRO HG2 H 1 1.9600 0.03 . 2 . . . . . . . . 6540 1 1303 . 1 1 123 123 PRO CD C 13 50.5500 0.50 . 1 . . . . . . . . 6540 1 1304 . 1 1 123 123 PRO HD2 H 1 2.5200 0.03 . 2 . . . . . . . . 6540 1 1305 . 1 1 124 124 LYS N N 15 121.0770 0.25 . 1 . . . . . . . . 6540 1 1306 . 1 1 124 124 LYS H H 1 8.4240 0.03 . 1 . . . . . . . . 6540 1 1307 . 1 1 124 124 LYS CA C 13 56.8410 0.50 . 1 . . . . . . . . 6540 1 1308 . 1 1 124 124 LYS HA H 1 4.0830 0.03 . 1 . . . . . . . . 6540 1 1309 . 1 1 124 124 LYS CB C 13 32.9570 0.50 . 1 . . . . . . . . 6540 1 1310 . 1 1 124 124 LYS HB2 H 1 1.7100 0.03 . 2 . . . . . . . . 6540 1 1311 . 1 1 124 124 LYS C C 13 176.987 0.50 . 1 . . . . . . . . 6540 1 1312 . 1 1 124 124 LYS CG C 13 25.1500 0.50 . 1 . . . . . . . . 6540 1 1313 . 1 1 124 124 LYS HG2 H 1 1.3700 0.03 . 2 . . . . . . . . 6540 1 1314 . 1 1 124 124 LYS CD C 13 28.9800 0.50 . 1 . . . . . . . . 6540 1 1315 . 1 1 124 124 LYS HD2 H 1 1.5900 0.03 . 2 . . . . . . . . 6540 1 1316 . 1 1 124 124 LYS CE C 13 42.1700 0.50 . 1 . . . . . . . . 6540 1 1317 . 1 1 124 124 LYS HE2 H 1 2.9100 0.03 . 2 . . . . . . . . 6540 1 1318 . 1 1 125 125 LYS N N 15 121.2530 0.25 . 1 . . . . . . . . 6540 1 1319 . 1 1 125 125 LYS H H 1 8.2110 0.03 . 1 . . . . . . . . 6540 1 1320 . 1 1 125 125 LYS CA C 13 56.5080 0.50 . 1 . . . . . . . . 6540 1 1321 . 1 1 125 125 LYS HA H 1 4.2000 0.03 . 1 . . . . . . . . 6540 1 1322 . 1 1 125 125 LYS CB C 13 33.0230 0.50 . 1 . . . . . . . . 6540 1 1323 . 1 1 125 125 LYS HB2 H 1 1.7000 0.03 . 2 . . . . . . . . 6540 1 1324 . 1 1 125 125 LYS C C 13 176.666 0.50 . 1 . . . . . . . . 6540 1 1325 . 1 1 125 125 LYS CG C 13 24.9100 0.50 . 1 . . . . . . . . 6540 1 1326 . 1 1 125 125 LYS HG2 H 1 1.3100 0.03 . 2 . . . . . . . . 6540 1 1327 . 1 1 125 125 LYS CD C 13 28.9800 0.50 . 1 . . . . . . . . 6540 1 1328 . 1 1 125 125 LYS HD2 H 1 1.6000 0.03 . 2 . . . . . . . . 6540 1 1329 . 1 1 125 125 LYS CE C 13 42.1700 0.50 . 1 . . . . . . . . 6540 1 1330 . 1 1 125 125 LYS HE2 H 1 2.9000 0.03 . 2 . . . . . . . . 6540 1 1331 . 1 1 126 126 LEU N N 15 122.4080 0.25 . 1 . . . . . . . . 6540 1 1332 . 1 1 126 126 LEU H H 1 8.0870 0.03 . 1 . . . . . . . . 6540 1 1333 . 1 1 126 126 LEU CA C 13 55.0660 0.50 . 1 . . . . . . . . 6540 1 1334 . 1 1 126 126 LEU HA H 1 3.9300 0.03 . 1 . . . . . . . . 6540 1 1335 . 1 1 126 126 LEU CB C 13 42.3320 0.50 . 1 . . . . . . . . 6540 1 1336 . 1 1 126 126 LEU HB2 H 1 2.8700 0.03 . 2 . . . . . . . . 6540 1 1337 . 1 1 126 126 LEU C C 13 173.220 0.50 . 1 . . . . . . . . 6540 1 1338 . 1 1 126 126 LEU CG C 13 28.1600 0.50 . 1 . . . . . . . . 6540 1 1339 . 1 1 126 126 LEU HG H 1 0.7500 0.03 . 1 . . . . . . . . 6540 1 1340 . 1 1 126 126 LEU CD1 C 13 25.0300 0.50 . 1 . . . . . . . . 6540 1 1341 . 1 1 126 126 LEU HD11 H 1 -0.0200 0.03 . 2 . . . . . . . . 6540 1 1342 . 1 1 126 126 LEU HD12 H 1 -0.0200 0.03 . 2 . . . . . . . . 6540 1 1343 . 1 1 126 126 LEU HD13 H 1 -0.0200 0.03 . 2 . . . . . . . . 6540 1 1344 . 1 1 126 126 LEU CD2 C 13 24.4100 0.50 . 1 . . . . . . . . 6540 1 1345 . 1 1 126 126 LEU HD21 H 1 -0.1800 0.03 . 2 . . . . . . . . 6540 1 1346 . 1 1 126 126 LEU HD22 H 1 -0.1800 0.03 . 2 . . . . . . . . 6540 1 1347 . 1 1 126 126 LEU HD23 H 1 -0.1800 0.03 . 2 . . . . . . . . 6540 1 1348 . 1 1 127 127 LEU N N 15 122.8390 0.25 . 1 . . . . . . . . 6540 1 1349 . 1 1 127 127 LEU H H 1 8.7070 0.03 . 1 . . . . . . . . 6540 1 1350 . 1 1 127 127 LEU CA C 13 54.8400 0.50 . 1 . . . . . . . . 6540 1 1351 . 1 1 127 127 LEU HA H 1 4.3300 0.03 . 1 . . . . . . . . 6540 1 1352 . 1 1 127 127 LEU CB C 13 42.7900 0.50 . 1 . . . . . . . . 6540 1 1353 . 1 1 127 127 LEU HB2 H 1 1.5200 0.03 . 2 . . . . . . . . 6540 1 1354 . 1 1 127 127 LEU C C 13 176.665 0.50 . 1 . . . . . . . . 6540 1 1355 . 1 1 127 127 LEU CG C 13 26.8300 0.50 . 1 . . . . . . . . 6540 1 1356 . 1 1 127 127 LEU HG H 1 1.0400 0.03 . 1 . . . . . . . . 6540 1 1357 . 1 1 127 127 LEU CD1 C 13 24.9100 0.50 . 1 . . . . . . . . 6540 1 1358 . 1 1 127 127 LEU HD11 H 1 0.7800 0.03 . 2 . . . . . . . . 6540 1 1359 . 1 1 127 127 LEU HD12 H 1 0.7800 0.03 . 2 . . . . . . . . 6540 1 1360 . 1 1 127 127 LEU HD13 H 1 0.7800 0.03 . 2 . . . . . . . . 6540 1 1361 . 1 1 127 127 LEU CD2 C 13 23.4700 0.50 . 1 . . . . . . . . 6540 1 1362 . 1 1 127 127 LEU HD21 H 1 0.6200 0.03 . 2 . . . . . . . . 6540 1 1363 . 1 1 127 127 LEU HD22 H 1 0.6200 0.03 . 2 . . . . . . . . 6540 1 1364 . 1 1 127 127 LEU HD23 H 1 0.6200 0.03 . 2 . . . . . . . . 6540 1 1365 . 1 1 128 128 LEU N N 15 124.0990 0.25 . 1 . . . . . . . . 6540 1 1366 . 1 1 128 128 LEU H H 1 8.1080 0.03 . 1 . . . . . . . . 6540 1 1367 . 1 1 128 128 LEU CA C 13 52.8810 0.50 . 1 . . . . . . . . 6540 1 1368 . 1 1 128 128 LEU HA H 1 4.5800 0.03 . 1 . . . . . . . . 6540 1 1369 . 1 1 128 128 LEU CB C 13 41.8770 0.50 . 1 . . . . . . . . 6540 1 1370 . 1 1 128 128 LEU HB3 H 1 1.5800 0.03 . 2 . . . . . . . . 6540 1 1371 . 1 1 128 128 LEU C C 13 176.65 0.50 . 1 . . . . . . . . 6540 1 1372 . 1 1 128 128 LEU CG C 13 27.2200 0.50 . 1 . . . . . . . . 6540 1 1373 . 1 1 128 128 LEU HG H 1 1.4800 0.03 . 1 . . . . . . . . 6540 1 1374 . 1 1 128 128 LEU CD1 C 13 22.3700 0.50 . 1 . . . . . . . . 6540 1 1375 . 1 1 128 128 LEU HD21 H 1 0.8300 0.03 . 2 . . . . . . . . 6540 1 1376 . 1 1 128 128 LEU HD22 H 1 0.8300 0.03 . 2 . . . . . . . . 6540 1 1377 . 1 1 128 128 LEU HD23 H 1 0.8300 0.03 . 2 . . . . . . . . 6540 1 1378 . 1 1 129 129 PRO CA C 13 61.4500 0.50 . 1 . . . . . . . . 6540 1 1379 . 1 1 129 129 PRO HA H 1 4.4400 0.03 . 1 . . . . . . . . 6540 1 1380 . 1 1 129 129 PRO CB C 13 29.5800 0.50 . 1 . . . . . . . . 6540 1 1381 . 1 1 129 129 PRO HB2 H 1 2.2500 0.03 . 2 . . . . . . . . 6540 1 1382 . 1 1 129 129 PRO C C 13 178.361 0.50 . 1 . . . . . . . . 6540 1 1383 . 1 1 129 129 PRO HG2 H 1 1.8500 0.03 . 2 . . . . . . . . 6540 1 1384 . 1 1 129 129 PRO HG3 H 1 1.8900 0.03 . 2 . . . . . . . . 6540 1 1385 . 1 1 129 129 PRO HD2 H 1 3.7600 0.03 . 2 . . . . . . . . 6540 1 1386 . 1 1 129 129 PRO HD3 H 1 3.5600 0.03 . 2 . . . . . . . . 6540 1 1387 . 1 1 130 130 SER N N 15 112.0910 0.25 . 1 . . . . . . . . 6540 1 1388 . 1 1 130 130 SER H H 1 8.5260 0.03 . 1 . . . . . . . . 6540 1 1389 . 1 1 130 130 SER CA C 13 61.9150 0.50 . 1 . . . . . . . . 6540 1 1390 . 1 1 130 130 SER HA H 1 4.4400 0.03 . 1 . . . . . . . . 6540 1 1391 . 1 1 130 130 SER CB C 13 69.6700 0.50 . 1 . . . . . . . . 6540 1 1392 . 1 1 130 130 SER HB2 H 1 3.7900 0.03 . 2 . . . . . . . . 6540 1 1393 . 1 1 130 130 SER HB3 H 1 3.8600 0.03 . 2 . . . . . . . . 6540 1 1394 . 1 1 130 130 SER C C 13 174.535 0.50 . 1 . . . . . . . . 6540 1 1395 . 1 1 131 131 SER N N 15 122.5770 0.25 . 1 . . . . . . . . 6540 1 1396 . 1 1 131 131 SER H H 1 8.1960 0.03 . 1 . . . . . . . . 6540 1 1397 . 1 1 131 131 SER CA C 13 61.8790 0.50 . 1 . . . . . . . . 6540 1 1398 . 1 1 131 131 SER HA H 1 4.0600 0.03 . 1 . . . . . . . . 6540 1 1399 . 1 1 131 131 SER CB C 13 69.5060 0.50 . 1 . . . . . . . . 6540 1 1400 . 1 1 131 131 SER HB2 H 1 3.3400 0.03 . 2 . . . . . . . . 6540 1 1401 . 1 1 131 131 SER HB3 H 1 3.7200 0.03 . 2 . . . . . . . . 6540 1 1402 . 1 1 131 131 SER C C 13 174.599 0.50 . 1 . . . . . . . . 6540 1 1403 . 1 1 132 132 LYS N N 15 123.5290 0.25 . 1 . . . . . . . . 6540 1 1404 . 1 1 132 132 LYS H H 1 8.3670 0.03 . 1 . . . . . . . . 6540 1 1405 . 1 1 132 132 LYS CA C 13 56.3420 0.50 . 1 . . . . . . . . 6540 1 1406 . 1 1 132 132 LYS HA H 1 4.2800 0.03 . 1 . . . . . . . . 6540 1 1407 . 1 1 132 132 LYS CB C 13 33.1240 0.50 . 1 . . . . . . . . 6540 1 1408 . 1 1 132 132 LYS HB2 H 1 1.7100 0.03 . 2 . . . . . . . . 6540 1 1409 . 1 1 132 132 LYS C C 13 176.451 0.50 . 1 . . . . . . . . 6540 1 1410 . 1 1 132 132 LYS CG C 13 24.9100 0.50 . 1 . . . . . . . . 6540 1 1411 . 1 1 132 132 LYS HG2 H 1 1.3500 0.03 . 2 . . . . . . . . 6540 1 1412 . 1 1 132 132 LYS CD C 13 28.9800 0.50 . 1 . . . . . . . . 6540 1 1413 . 1 1 132 132 LYS HD2 H 1 1.6000 0.03 . 2 . . . . . . . . 6540 1 1414 . 1 1 132 132 LYS CE C 13 41.9300 0.50 . 1 . . . . . . . . 6540 1 1415 . 1 1 132 132 LYS HE2 H 1 2.9100 0.03 . 2 . . . . . . . . 6540 1 1416 . 1 1 133 133 THR N N 15 115.6760 0.25 . 1 . . . . . . . . 6540 1 1417 . 1 1 133 133 THR H H 1 8.1540 0.03 . 1 . . . . . . . . 6540 1 1418 . 1 1 133 133 THR CA C 13 61.9740 0.50 . 1 . . . . . . . . 6540 1 1419 . 1 1 133 133 THR HA H 1 4.3600 0.03 . 1 . . . . . . . . 6540 1 1420 . 1 1 133 133 THR CB C 13 69.7040 0.50 . 1 . . . . . . . . 6540 1 1421 . 1 1 133 133 THR HB H 1 4.6300 0.03 . 1 . . . . . . . . 6540 1 1422 . 1 1 133 133 THR C C 13 174.535 0.50 . 1 . . . . . . . . 6540 1 1423 . 1 1 133 133 THR CG2 C 13 21.55 0.50 . 1 . . . . . . . . 6540 1 1424 . 1 1 133 133 THR HG21 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1425 . 1 1 133 133 THR HG22 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1426 . 1 1 133 133 THR HG23 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1427 . 1 1 134 134 VAL N N 15 122.5770 0.25 . 1 . . . . . . . . 6540 1 1428 . 1 1 134 134 VAL H H 1 8.1960 0.03 . 1 . . . . . . . . 6540 1 1429 . 1 1 134 134 VAL CA C 13 62.0840 0.50 . 1 . . . . . . . . 6540 1 1430 . 1 1 134 134 VAL HA H 1 4.1400 0.03 . 1 . . . . . . . . 6540 1 1431 . 1 1 134 134 VAL CB C 13 33.0300 0.50 . 1 . . . . . . . . 6540 1 1432 . 1 1 134 134 VAL HB H 1 2.0100 0.03 . 1 . . . . . . . . 6540 1 1433 . 1 1 134 134 VAL C C 13 176.391 0.50 . 1 . . . . . . . . 6540 1 1434 . 1 1 134 134 VAL CG1 C 13 20.5900 0.50 . 1 . . . . . . . . 6540 1 1435 . 1 1 134 134 VAL HG11 H 1 0.8600 0.03 . 2 . . . . . . . . 6540 1 1436 . 1 1 134 134 VAL HG12 H 1 0.8600 0.03 . 2 . . . . . . . . 6540 1 1437 . 1 1 134 134 VAL HG13 H 1 0.8600 0.03 . 2 . . . . . . . . 6540 1 1438 . 1 1 134 134 VAL CG2 C 13 20.2500 0.50 . 1 . . . . . . . . 6540 1 1439 . 1 1 134 134 VAL HG21 H 1 0.7600 0.03 . 2 . . . . . . . . 6540 1 1440 . 1 1 134 134 VAL HG22 H 1 0.7600 0.03 . 2 . . . . . . . . 6540 1 1441 . 1 1 134 134 VAL HG23 H 1 0.7600 0.03 . 2 . . . . . . . . 6540 1 1442 . 1 1 135 135 SER N N 15 119.5400 0.25 . 1 . . . . . . . . 6540 1 1443 . 1 1 135 135 SER H H 1 8.4260 0.03 . 1 . . . . . . . . 6540 1 1444 . 1 1 135 135 SER CA C 13 58.0090 0.50 . 1 . . . . . . . . 6540 1 1445 . 1 1 135 135 SER HA H 1 4.3500 0.03 . 1 . . . . . . . . 6540 1 1446 . 1 1 135 135 SER CB C 13 63.6900 0.50 . 1 . . . . . . . . 6540 1 1447 . 1 1 135 135 SER HB2 H 1 3.8500 0.03 . 2 . . . . . . . . 6540 1 1448 . 1 1 135 135 SER C C 13 174.760 0.50 . 1 . . . . . . . . 6540 1 1449 . 1 1 136 136 SER N N 15 122.2640 0.25 . 1 . . . . . . . . 6540 1 1450 . 1 1 136 136 SER H H 1 8.4220 0.03 . 1 . . . . . . . . 6540 1 1451 . 1 1 136 136 SER CA C 13 58.5950 0.50 . 1 . . . . . . . . 6540 1 1452 . 1 1 136 136 SER HA H 1 4.4600 0.03 . 1 . . . . . . . . 6540 1 1453 . 1 1 136 136 SER CB C 13 63.8680 0.50 . 1 . . . . . . . . 6540 1 1454 . 1 1 136 136 SER HB2 H 1 3.8500 0.03 . 2 . . . . . . . . 6540 1 1455 . 1 1 136 136 SER C C 13 175.101 0.50 . 1 . . . . . . . . 6540 1 1456 . 1 1 137 137 GLY N N 15 111.2050 0.25 . 1 . . . . . . . . 6540 1 1457 . 1 1 137 137 GLY H H 1 8.6970 0.03 . 1 . . . . . . . . 6540 1 1458 . 1 1 137 137 GLY CA C 13 45.4860 0.50 . 1 . . . . . . . . 6540 1 1459 . 1 1 137 137 GLY HA2 H 1 3.9700 0.03 . 2 . . . . . . . . 6540 1 1460 . 1 1 137 137 GLY C C 13 174.299 0.50 . 1 . . . . . . . . 6540 1 1461 . 1 1 138 138 THR N N 15 113.8740 0.25 . 1 . . . . . . . . 6540 1 1462 . 1 1 138 138 THR H H 1 8.0520 0.03 . 1 . . . . . . . . 6540 1 1463 . 1 1 138 138 THR CA C 13 61.7920 0.50 . 1 . . . . . . . . 6540 1 1464 . 1 1 138 138 THR HA H 1 4.3200 0.03 . 1 . . . . . . . . 6540 1 1465 . 1 1 138 138 THR CB C 13 69.7040 0.50 . 1 . . . . . . . . 6540 1 1466 . 1 1 138 138 THR HB H 1 4.6300 0.03 . 1 . . . . . . . . 6540 1 1467 . 1 1 138 138 THR C C 13 174.599 0.50 . 1 . . . . . . . . 6540 1 1468 . 1 1 138 138 THR CG2 C 13 21.5500 0.50 . 1 . . . . . . . . 6540 1 1469 . 1 1 138 138 THR HG21 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1470 . 1 1 138 138 THR HG22 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1471 . 1 1 138 138 THR HG23 H 1 1.1100 0.03 . 1 . . . . . . . . 6540 1 1472 . 1 1 139 139 LYS N N 15 123.5290 0.25 . 1 . . . . . . . . 6540 1 1473 . 1 1 139 139 LYS H H 1 8.3670 0.03 . 1 . . . . . . . . 6540 1 1474 . 1 1 139 139 LYS CA C 13 56.3420 0.50 . 1 . . . . . . . . 6540 1 1475 . 1 1 139 139 LYS HA H 1 4.2800 0.03 . 1 . . . . . . . . 6540 1 1476 . 1 1 139 139 LYS CB C 13 33.1240 0.50 . 1 . . . . . . . . 6540 1 1477 . 1 1 139 139 LYS HB2 H 1 1.7100 0.03 . 2 . . . . . . . . 6540 1 1478 . 1 1 139 139 LYS C C 13 176.402 0.50 . 1 . . . . . . . . 6540 1 1479 . 1 1 139 139 LYS CG C 13 24.6700 0.50 . 1 . . . . . . . . 6540 1 1480 . 1 1 139 139 LYS HG2 H 1 1.3500 0.03 . 2 . . . . . . . . 6540 1 1481 . 1 1 139 139 LYS CD C 13 28.9800 0.50 . 1 . . . . . . . . 6540 1 1482 . 1 1 139 139 LYS HD2 H 1 1.6000 0.03 . 2 . . . . . . . . 6540 1 1483 . 1 1 139 139 LYS CE C 13 42.1700 0.50 . 1 . . . . . . . . 6540 1 1484 . 1 1 139 139 LYS HE2 H 1 2.9100 0.03 . 2 . . . . . . . . 6540 1 1485 . 1 1 140 140 GLU N N 15 121.6730 0.25 . 1 . . . . . . . . 6540 1 1486 . 1 1 140 140 GLU H H 1 8.3750 0.03 . 1 . . . . . . . . 6540 1 1487 . 1 1 140 140 GLU CA C 13 56.5080 0.50 . 1 . . . . . . . . 6540 1 1488 . 1 1 140 140 GLU HA H 1 4.3100 0.03 . 1 . . . . . . . . 6540 1 1489 . 1 1 140 140 GLU CB C 13 30.3770 0.50 . 1 . . . . . . . . 6540 1 1490 . 1 1 140 140 GLU HB2 H 1 1.8800 0.03 . 2 . . . . . . . . 6540 1 1491 . 1 1 140 140 GLU HB3 H 1 1.7900 0.03 . 2 . . . . . . . . 6540 1 1492 . 1 1 140 140 GLU C C 13 176.145 0.50 . 1 . . . . . . . . 6540 1 1493 . 1 1 140 140 GLU CG C 13 36.1700 0.50 . 1 . . . . . . . . 6540 1 1494 . 1 1 140 140 GLU HG2 H 1 2.1000 0.03 . 2 . . . . . . . . 6540 1 1495 . 1 1 141 141 HIS N N 15 120.1160 0.25 . 1 . . . . . . . . 6540 1 1496 . 1 1 141 141 HIS H H 1 8.2780 0.03 . 1 . . . . . . . . 6540 1 1497 . 1 1 141 141 HIS CA C 13 56.5080 0.50 . 1 . . . . . . . . 6540 1 1498 . 1 1 141 141 HIS HA H 1 4.4700 0.03 . 1 . . . . . . . . 6540 1 1499 . 1 1 141 141 HIS CB C 13 30.8700 0.50 . 1 . . . . . . . . 6540 1 1500 . 1 1 141 141 HIS HB3 H 1 2.9100 0.03 . 2 . . . . . . . . 6540 1 1501 . 1 1 141 141 HIS C C 13 176.369 0.50 . 1 . . . . . . . . 6540 1 1502 . 1 1 141 141 HIS CE1 C 13 139.12 0.50 . 1 . . . . . . . . 6540 1 1503 . 1 1 141 141 HIS HE1 H 1 7.62 0.03 . 1 . . . . . . . . 6540 1 1504 . 1 1 141 141 HIS CD2 C 13 117.75 0.50 . 1 . . . . . . . . 6540 1 1505 . 1 1 141 141 HIS HD2 H 1 6.75 0.03 . 1 . . . . . . . . 6540 1 1506 . 1 1 142 142 CYS N N 15 122.055 0.25 . 1 . . . . . . . . 6540 1 1507 . 1 1 142 142 CYS H H 1 8.027 0.03 . 1 . . . . . . . . 6540 1 1508 . 1 1 142 142 CYS CA C 13 58.3490 0.50 . 1 . . . . . . . . 6540 1 1509 . 1 1 142 142 CYS HA H 1 4.4700 0.03 . 1 . . . . . . . . 6540 1 1510 . 1 1 142 142 CYS CB C 13 28.0960 0.50 . 1 . . . . . . . . 6540 1 1511 . 1 1 142 142 CYS HB2 H 1 2.9000 0.03 . 2 . . . . . . . . 6540 1 1512 . 1 1 142 142 CYS C C 13 173.945 0.50 . 1 . . . . . . . . 6540 1 1513 . 1 1 143 143 TYR N N 15 122.7340 0.25 . 1 . . . . . . . . 6540 1 1514 . 1 1 143 143 TYR H H 1 8.2900 0.03 . 1 . . . . . . . . 6540 1 1515 . 1 1 143 143 TYR CA C 13 57.7080 0.50 . 1 . . . . . . . . 6540 1 1516 . 1 1 143 143 TYR HA H 1 4.5800 0.03 . 1 . . . . . . . . 6540 1 1517 . 1 1 143 143 TYR CB C 13 38.7150 0.50 . 1 . . . . . . . . 6540 1 1518 . 1 1 143 143 TYR HB2 H 1 3.2200 0.03 . 2 . . . . . . . . 6540 1 1519 . 1 1 143 143 TYR HB3 H 1 2.8100 0.03 . 2 . . . . . . . . 6540 1 1520 . 1 1 143 143 TYR C C 13 174.68 0.50 . 1 . . . . . . . . 6540 1 1521 . 1 1 143 143 TYR CD1 C 13 130.46 0.50 . 3 . . . . . . . . 6540 1 1522 . 1 1 143 143 TYR HD1 H 1 7.36 0.03 . 3 . . . . . . . . 6540 1 1523 . 1 1 143 143 TYR CE1 C 13 118.76 0.50 . 3 . . . . . . . . 6540 1 1524 . 1 1 143 143 TYR HE1 H 1 6.83 0.03 . 3 . . . . . . . . 6540 1 1525 . 1 1 144 144 ASN N N 15 124.9280 0.25 . 1 . . . . . . . . 6540 1 1526 . 1 1 144 144 ASN H H 1 7.9410 0.03 . 1 . . . . . . . . 6540 1 1527 . 1 1 144 144 ASN CA C 13 54.9010 0.50 . 1 . . . . . . . . 6540 1 1528 . 1 1 144 144 ASN HA H 1 4.4100 0.03 . 1 . . . . . . . . 6540 1 1529 . 1 1 144 144 ASN CB C 13 40.6800 0.50 . 1 . . . . . . . . 6540 1 1530 . 1 1 144 144 ASN HB2 H 1 2.7000 0.03 . 2 . . . . . . . . 6540 1 1531 . 1 1 144 144 ASN HB3 H 1 2.6100 0.03 . 2 . . . . . . . . 6540 1 1532 . 1 1 144 144 ASN C C 13 174.67 0.50 . 1 . . . . . . . . 6540 1 1533 . 1 1 144 144 ASN ND2 N 15 112.3080 0.25 . 1 . . . . . . . . 6540 1 1534 . 1 1 144 144 ASN HD21 H 1 7.4400 0.03 . 1 . . . . . . . . 6540 1 1535 . 1 1 144 144 ASN HD22 H 1 6.7410 0.03 . 1 . . . . . . . . 6540 1 stop_ save_