data_5513 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5513 _Entry.Title ; NMR assignment and secondary structure identification of the ribosomal protein L11 from Thermotoga maritima ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-09-09 _Entry.Accession_date 2002-09-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sergey Ilin . . . 5513 2 Aaron Hoskins . . . 5513 3 Harald Schwalbe . . . 5513 4 Jens Wohnert . . . 5513 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5513 coupling_constants 1 5513 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 990 5513 '13C chemical shifts' 604 5513 '15N chemical shifts' 137 5513 'coupling constants' 111 5513 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 . . 2006-10-06 . update BMRB 'relation loop added' 5513 2 . . 2003-02-18 . original author 'original release' 5513 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7308 'L11 - RNA (- Thiostrepton) complex' 5513 BMRB 7307 'L11 - RNA complex' 5513 BMRB 4965 'Free L11 of Thermus thermophilus' 5513 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5513 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR assignment of the full-length ribosomal protein L11 from Thermotoga maritima ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 163 _Citation.Page_last 164 _Citation.Year 2003 _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 Sergey Ilin . . . 5513 1 2 Aaron Hoskins . . . 5513 1 3 Harald Schwalbe . . . 5513 1 4 Jens Wohnert . . . 5513 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5513 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11519754 _Citation.Full_citation ; Markus MA, Triantafillidou D, Choli-Papadopoulou T, Torchia DA. 1H, 15N, and 13C assignments and secondary structure identification for full-length ribosomal protein L11 from Thermus thermophilus. J Biomol NMR. 2001 Jul;20(3):293-4. ; _Citation.Title '1H, 15N, and 13C assignments and secondary structure identification for full-length ribosomal protein L11 from Thermus thermophilus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 20 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 293 _Citation.Page_last 294 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'M A' Markus M. A. . 5513 2 2 D Triantafillidou D. . . 5513 2 3 T Choli-Papadopoulou T. . . 5513 2 4 'D A' Torchia D. A. . 5513 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5513 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10338213 _Citation.Full_citation ; Wimberly BT, Guymon R, McCutcheon JP, White SW, Ramakrishnan V. A detailed view of a ribosomal active site: the structure of the L11-RNA complex. Cell. 1999 May 14;97(4):491-502. ; _Citation.Title 'A detailed view of a ribosomal active site: the structure of the L11-RNA complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 97 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0092-8674 _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 491 _Citation.Page_last 502 _Citation.Year 1999 _Citation.Details ; We report the crystal structure of a 58 nucleotide fragment of 23S ribosomal RNA bound to ribosomal protein L11. This highly conserved ribonucleoprotein domain is the target for the thiostrepton family of antibiotics that disrupt elongation factor function. The highly compact RNA has both familiar and novel structural motifs. While the C-terminal domain of L11 binds RNA tightly, the N-terminal domain makes only limited contacts with RNA and is proposed to function as a switch that reversibly associates with an adjacent region of RNA. The sites of mutations conferring resistance to thiostrepton and micrococcin line a narrow cleft between the RNA and the N-terminal domain. These antibiotics are proposed to bind in this cleft, locking the putative switch and interfering with the function of elongation factors. ; 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 'B T' Wimberly B. T. . 5513 3 2 R Guymon R. . . 5513 3 3 'J P' McCutcheon J. P. . 5513 3 4 'S W' White S. W. . 5513 3 5 V Ramakrishnan V. . . 5513 3 stop_ save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 5513 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9398519 _Citation.Full_citation ; Hinck AP, Markus MA, Huang S, Grzesiek S, Kustonovich I, Draper DE, Torchia DA. The RNA binding domain of ribosomal protein L11: three-dimensional structure of the RNA-bound form of the protein and its interaction with 23 S rRNA. J Mol Biol. 1997 Nov 21;274(1):101-13. ; _Citation.Title 'The RNA binding domain of ribosomal protein L11: three-dimensional structure of the RNA-bound form of the protein and its interaction with 23 S rRNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 274 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 101 _Citation.Page_last 113 _Citation.Year 1997 _Citation.Details ; The three-dimensional solution structure has been determined by NMR spectroscopy of the 75 residue C-terminal domain of ribosomal protein L11 (L11-C76) in its RNA-bound state. L11-C76 recognizes and binds tightly to a highly conserved 58 nucleotide domain of 23 S ribosomal RNA, whose secondary structure consists of three helical stems and a central junction loop. The NMR data reveal that the conserved structural core of the protein, which consists of a bundle of three alpha-helices and a two-stranded parallel beta-sheet four residues in length, is nearly the same as the solution structure determined for the non-liganded form of the protein. There are however, substantial chemical shift perturbations which accompany RNA binding, the largest of which map onto an extended loop which bridges the C-terminal end of alpha-helix 1 and the first strand of parallel beta-sheet. Substantial shift perturbations are also observed in the N-terminal end of alpha-helix 1, the intervening loop that bridges helices 2 and 3, and alpha-helix 3. The four contact regions identified by the shift perturbation data also displayed protein-RNA NOEs, as identified by isotope-filtered three-dimensional NOE spectroscopy. The shift perturbation and NOE data not only implicate helix 3 as playing an important role in RNA binding, but also indicate that regions flanking helix 3 are involved as well. Loop 1 is of particular interest as it was found to be flexible and disordered for L11-C76 free in solution, but not in the RNA-bound form of the protein, where it appears rigid and adopts a specific conformation as a result of its direct contact to RNA. ; 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 'A P' Hinck A. P. . 5513 4 2 'M A' Markus M. A. . 5513 4 3 S Huang S. . . 5513 4 4 S Grzesiek S. . . 5513 4 5 I Kustonovich I. . . 5513 4 6 'D E' Draper D. E. . 5513 4 7 'D A' Torchia D. A. . 5513 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RL11_L11 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RL11_L11 _Assembly.Entry_ID 5513 _Assembly.ID 1 _Assembly.Name 'Thermotoga maritima Ribosomal protein L11' _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 'L11 is in the free, non-RNA bound state.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5513 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 'L11 monomer' 1 $L11_monomer . . . native . . . . . 5513 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1MMS . . . . . 'L11 is in the free, non-RNA bound state.' 5513 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Thermotoga maritima Ribosomal protein L11' system 5513 1 'RL11 L11' abbreviation 5513 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Ribosomal protein 50S ribosomal subunit' 5513 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L11_monomer _Entity.Sf_category entity _Entity.Sf_framecode L11_monomer _Entity.Entry_ID 5513 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ribosomal protein L11' _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 ; MAKKVAAQIKLQLPAGKATP APPVGPALGQHGVNIMEFCK RFNAETADKAGMILPVVITV YEDKSFTFIIKTPPASFLLK KAAGIEKGSSEPKRKIVGKV TRKQIEEIAKTKMPDLNANS LEAAMKIIEGTAKSMGIEVV D ; _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 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15088 _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 BMRB 7307 . "ribosomal L11 protein" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 2 no PDB 1EG0 . "Fitting Of Components With Known Structure Into An 11.5 A Cryo-Em Map Of The E.Coli 70s Ribosome" . . . . . 99.29 140 100.00 100.00 3.50e-93 . . . . 5513 1 3 no PDB 1GIY . "Crystal Structure Of The Ribosome At 5.5 A Resolution. This File, 1giy, Contains The 50s Ribosome Subunit. The 30s Ribosome Sub" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 4 no PDB 1JQM . "Fitting Of L11 Protein And Elongation Factor G (Ef-G) In The Cryo-Em Map Of E. Coli 70s Ribosome Bound With Ef-G, Gdp And Fusid" . . . . . 98.58 139 100.00 100.00 2.69e-92 . . . . 5513 1 5 no PDB 1JQS . "Fitting Of L11 Protein And Elongation Factor G (Domain G' And V) In The Cryo-Em Map Of E. Coli 70s Ribosome Bound With Ef-G And" . . . . . 98.58 139 100.00 100.00 2.69e-92 . . . . 5513 1 6 no PDB 1JQT . "Fitting Of L11 Protein In The Low Resolution Cryo-Em Map Of E.Coli 70s Ribosome" . . . . . 98.58 139 100.00 100.00 2.69e-92 . . . . 5513 1 7 no PDB 1MJ1 . "Fitting The Ternary Complex Of Ef-TuTRNAGTP AND RIBOSOMAL PROTEINS Into A 13 A Cryo-Em Map Of The Coli 70s Ribosome" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 8 no PDB 1ML5 . "Structure Of The E. Coli Ribosomal Termination Complex With Release Factor 2" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 9 no PDB 1MMS . "Crystal Structure Of The Ribosomal Protein L11-Rna Complex" . . . . . 99.29 140 100.00 100.00 2.55e-93 . . . . 5513 1 10 no PDB 1MVR . "Decoding Center & Peptidyl Transferase Center From The X-Ray Structure Of The Thermus Thermophilus 70s Ribosome, Aligned To The" . . . . . 99.29 140 100.00 100.00 2.55e-93 . . . . 5513 1 11 no PDB 1OLN . "Model For Thiostrepton Antibiotic Binding To L11 Substrate From 50s Ribosomal Rna" . . . . . 99.29 140 100.00 100.00 2.55e-93 . . . . 5513 1 12 no PDB 1PN7 . "Coordinates Of S12, L11 Proteins And P-Trna, From The 70s X- Ray Structure Aligned To The 70s Cryo-Em Map Of E.Coli Ribosome" . . . . . 94.33 133 100.00 100.00 1.39e-88 . . . . 5513 1 13 no PDB 1PN8 . "Coordinates Of S12, L11 Proteins And E-Site Trna From 70s Crystal Structure Separately Fitted Into The Cryo-Em Map Of E.Coli 70" . . . . . 94.33 133 100.00 100.00 1.39e-88 . . . . 5513 1 14 no PDB 1R2W . "Coordinates Of L11 With 58nts Of 23s Rrna Fitted Into The Cryo-Em Map Of The 70s Ribosome" . . . . . 100.00 141 99.29 99.29 1.76e-91 . . . . 5513 1 15 no PDB 1R2X . "Coordinates Of L11 With 58nts Of 23s Rrna Fitted Into The Cryo-em Map Of Ef-tu Ternary Complex (gdp.kirromycin) Bound 70s Ribos" . . . . . 100.00 141 99.29 99.29 1.76e-91 . . . . 5513 1 16 no PDB 1YL3 . "Crystal Structure Of 70s Ribosome With Thrs Operator And Trnas. Large Subunit. The Coordinates For The Small Subunit Are In The" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 17 no PDB 2B66 . "50s Ribosomal Subunit From A Crystal Structure Of Release Factor Rf1, Trnas And Mrna Bound To The Ribosome. This File Contains " . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 18 no PDB 2B9N . "50s Ribosomal Subunit From A Crystal Structure Of Release Factor Rf2, Trnas And Mrna Bound To The Ribosome. This File Contains " . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 19 no PDB 2B9P . "50s Ribosomal Subunit From A Crystal Structure Of The Ribosome In Complex With Trnas And Mrna With A Stop Codon In The A-Site. " . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 20 no PDB 2JQ7 . "Model For Thiostrepton Binding To The Ribosomal L11-Rna" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 21 no PDB 2K3F . "Ribosomal Protein L11 From Thermotoga Maritima" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 22 no PDB 487D . "Seven Ribosomal Proteins Fitted To A Cryo-Electron Microscopic Map Of The Large 50s Subunit At 7.5 Angstroms Resolution" . . . . . 94.33 133 100.00 100.00 1.39e-88 . . . . 5513 1 23 no EMBL CAA77859 . "ribosomal protein L11 [Thermotoga maritima MSB8]" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 24 no GB AAD35537 . "ribosomal protein L11 [Thermotoga maritima MSB8]" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 25 no GB ABQ46490 . "LSU ribosomal protein L11P [Thermotoga petrophila RKU-1]" . . . . . 100.00 141 97.16 98.58 4.66e-92 . . . . 5513 1 26 no GB ACB08837 . "ribosomal protein L11 [Thermotoga sp. RQ2]" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 27 no GB ADA66341 . "ribosomal protein L11 [Thermotoga naphthophila RKU-10]" . . . . . 100.00 141 97.16 98.58 4.66e-92 . . . . 5513 1 28 no GB AGL49376 . "LSU ribosomal protein L11p (L12e) [Thermotoga maritima MSB8]" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 29 no REF NP_228264 . "50S ribosomal protein L11 [Thermotoga maritima MSB8]" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 30 no REF WP_004081512 . "MULTISPECIES: 50S ribosomal protein L11 [Thermotoga]" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 31 no REF WP_011943108 . "MULTISPECIES: 50S ribosomal protein L11 [Thermotoga]" . . . . . 100.00 141 97.16 98.58 4.66e-92 . . . . 5513 1 32 no REF WP_038033608 . "MULTISPECIES: 50S ribosomal protein L11 [Thermotoga]" . . . . . 100.00 141 97.87 99.29 1.15e-92 . . . . 5513 1 33 no REF YP_001244066 . "50S ribosomal protein L11 [Thermotoga petrophila RKU-1]" . . . . . 100.00 141 97.16 98.58 4.66e-92 . . . . 5513 1 34 no SP A5IJW7 . "RecName: Full=50S ribosomal protein L11 [Thermotoga petrophila RKU-1]" . . . . . 100.00 141 97.16 98.58 4.66e-92 . . . . 5513 1 35 no SP B1L939 . "RecName: Full=50S ribosomal protein L11 [Thermotoga sp. RQ2]" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 36 no SP P29395 . "RecName: Full=50S ribosomal protein L11 [Thermotoga maritima MSB8]" . . . . . 100.00 141 100.00 100.00 4.02e-94 . . . . 5513 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ribosomal protein L11' common 5513 1 L11 abbreviation 5513 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 . 5513 1 2 . ALA . 5513 1 3 . LYS . 5513 1 4 . LYS . 5513 1 5 . VAL . 5513 1 6 . ALA . 5513 1 7 . ALA . 5513 1 8 . GLN . 5513 1 9 . ILE . 5513 1 10 . LYS . 5513 1 11 . LEU . 5513 1 12 . GLN . 5513 1 13 . LEU . 5513 1 14 . PRO . 5513 1 15 . ALA . 5513 1 16 . GLY . 5513 1 17 . LYS . 5513 1 18 . ALA . 5513 1 19 . THR . 5513 1 20 . PRO . 5513 1 21 . ALA . 5513 1 22 . PRO . 5513 1 23 . PRO . 5513 1 24 . VAL . 5513 1 25 . GLY . 5513 1 26 . PRO . 5513 1 27 . ALA . 5513 1 28 . LEU . 5513 1 29 . GLY . 5513 1 30 . GLN . 5513 1 31 . HIS . 5513 1 32 . GLY . 5513 1 33 . VAL . 5513 1 34 . ASN . 5513 1 35 . ILE . 5513 1 36 . MET . 5513 1 37 . GLU . 5513 1 38 . PHE . 5513 1 39 . CYS . 5513 1 40 . LYS . 5513 1 41 . ARG . 5513 1 42 . PHE . 5513 1 43 . ASN . 5513 1 44 . ALA . 5513 1 45 . GLU . 5513 1 46 . THR . 5513 1 47 . ALA . 5513 1 48 . ASP . 5513 1 49 . LYS . 5513 1 50 . ALA . 5513 1 51 . GLY . 5513 1 52 . MET . 5513 1 53 . ILE . 5513 1 54 . LEU . 5513 1 55 . PRO . 5513 1 56 . VAL . 5513 1 57 . VAL . 5513 1 58 . ILE . 5513 1 59 . THR . 5513 1 60 . VAL . 5513 1 61 . TYR . 5513 1 62 . GLU . 5513 1 63 . ASP . 5513 1 64 . LYS . 5513 1 65 . SER . 5513 1 66 . PHE . 5513 1 67 . THR . 5513 1 68 . PHE . 5513 1 69 . ILE . 5513 1 70 . ILE . 5513 1 71 . LYS . 5513 1 72 . THR . 5513 1 73 . PRO . 5513 1 74 . PRO . 5513 1 75 . ALA . 5513 1 76 . SER . 5513 1 77 . PHE . 5513 1 78 . LEU . 5513 1 79 . LEU . 5513 1 80 . LYS . 5513 1 81 . LYS . 5513 1 82 . ALA . 5513 1 83 . ALA . 5513 1 84 . GLY . 5513 1 85 . ILE . 5513 1 86 . GLU . 5513 1 87 . LYS . 5513 1 88 . GLY . 5513 1 89 . SER . 5513 1 90 . SER . 5513 1 91 . GLU . 5513 1 92 . PRO . 5513 1 93 . LYS . 5513 1 94 . ARG . 5513 1 95 . LYS . 5513 1 96 . ILE . 5513 1 97 . VAL . 5513 1 98 . GLY . 5513 1 99 . LYS . 5513 1 100 . VAL . 5513 1 101 . THR . 5513 1 102 . ARG . 5513 1 103 . LYS . 5513 1 104 . GLN . 5513 1 105 . ILE . 5513 1 106 . GLU . 5513 1 107 . GLU . 5513 1 108 . ILE . 5513 1 109 . ALA . 5513 1 110 . LYS . 5513 1 111 . THR . 5513 1 112 . LYS . 5513 1 113 . MET . 5513 1 114 . PRO . 5513 1 115 . ASP . 5513 1 116 . LEU . 5513 1 117 . ASN . 5513 1 118 . ALA . 5513 1 119 . ASN . 5513 1 120 . SER . 5513 1 121 . LEU . 5513 1 122 . GLU . 5513 1 123 . ALA . 5513 1 124 . ALA . 5513 1 125 . MET . 5513 1 126 . LYS . 5513 1 127 . ILE . 5513 1 128 . ILE . 5513 1 129 . GLU . 5513 1 130 . GLY . 5513 1 131 . THR . 5513 1 132 . ALA . 5513 1 133 . LYS . 5513 1 134 . SER . 5513 1 135 . MET . 5513 1 136 . GLY . 5513 1 137 . ILE . 5513 1 138 . GLU . 5513 1 139 . VAL . 5513 1 140 . VAL . 5513 1 141 . ASP . 5513 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 5513 1 . ALA 2 2 5513 1 . LYS 3 3 5513 1 . LYS 4 4 5513 1 . VAL 5 5 5513 1 . ALA 6 6 5513 1 . ALA 7 7 5513 1 . GLN 8 8 5513 1 . ILE 9 9 5513 1 . LYS 10 10 5513 1 . LEU 11 11 5513 1 . GLN 12 12 5513 1 . LEU 13 13 5513 1 . PRO 14 14 5513 1 . ALA 15 15 5513 1 . GLY 16 16 5513 1 . LYS 17 17 5513 1 . ALA 18 18 5513 1 . THR 19 19 5513 1 . PRO 20 20 5513 1 . ALA 21 21 5513 1 . PRO 22 22 5513 1 . PRO 23 23 5513 1 . VAL 24 24 5513 1 . GLY 25 25 5513 1 . PRO 26 26 5513 1 . ALA 27 27 5513 1 . LEU 28 28 5513 1 . GLY 29 29 5513 1 . GLN 30 30 5513 1 . HIS 31 31 5513 1 . GLY 32 32 5513 1 . VAL 33 33 5513 1 . ASN 34 34 5513 1 . ILE 35 35 5513 1 . MET 36 36 5513 1 . GLU 37 37 5513 1 . PHE 38 38 5513 1 . CYS 39 39 5513 1 . LYS 40 40 5513 1 . ARG 41 41 5513 1 . PHE 42 42 5513 1 . ASN 43 43 5513 1 . ALA 44 44 5513 1 . GLU 45 45 5513 1 . THR 46 46 5513 1 . ALA 47 47 5513 1 . ASP 48 48 5513 1 . LYS 49 49 5513 1 . ALA 50 50 5513 1 . GLY 51 51 5513 1 . MET 52 52 5513 1 . ILE 53 53 5513 1 . LEU 54 54 5513 1 . PRO 55 55 5513 1 . VAL 56 56 5513 1 . VAL 57 57 5513 1 . ILE 58 58 5513 1 . THR 59 59 5513 1 . VAL 60 60 5513 1 . TYR 61 61 5513 1 . GLU 62 62 5513 1 . ASP 63 63 5513 1 . LYS 64 64 5513 1 . SER 65 65 5513 1 . PHE 66 66 5513 1 . THR 67 67 5513 1 . PHE 68 68 5513 1 . ILE 69 69 5513 1 . ILE 70 70 5513 1 . LYS 71 71 5513 1 . THR 72 72 5513 1 . PRO 73 73 5513 1 . PRO 74 74 5513 1 . ALA 75 75 5513 1 . SER 76 76 5513 1 . PHE 77 77 5513 1 . LEU 78 78 5513 1 . LEU 79 79 5513 1 . LYS 80 80 5513 1 . LYS 81 81 5513 1 . ALA 82 82 5513 1 . ALA 83 83 5513 1 . GLY 84 84 5513 1 . ILE 85 85 5513 1 . GLU 86 86 5513 1 . LYS 87 87 5513 1 . GLY 88 88 5513 1 . SER 89 89 5513 1 . SER 90 90 5513 1 . GLU 91 91 5513 1 . PRO 92 92 5513 1 . LYS 93 93 5513 1 . ARG 94 94 5513 1 . LYS 95 95 5513 1 . ILE 96 96 5513 1 . VAL 97 97 5513 1 . GLY 98 98 5513 1 . LYS 99 99 5513 1 . VAL 100 100 5513 1 . THR 101 101 5513 1 . ARG 102 102 5513 1 . LYS 103 103 5513 1 . GLN 104 104 5513 1 . ILE 105 105 5513 1 . GLU 106 106 5513 1 . GLU 107 107 5513 1 . ILE 108 108 5513 1 . ALA 109 109 5513 1 . LYS 110 110 5513 1 . THR 111 111 5513 1 . LYS 112 112 5513 1 . MET 113 113 5513 1 . PRO 114 114 5513 1 . ASP 115 115 5513 1 . LEU 116 116 5513 1 . ASN 117 117 5513 1 . ALA 118 118 5513 1 . ASN 119 119 5513 1 . SER 120 120 5513 1 . LEU 121 121 5513 1 . GLU 122 122 5513 1 . ALA 123 123 5513 1 . ALA 124 124 5513 1 . MET 125 125 5513 1 . LYS 126 126 5513 1 . ILE 127 127 5513 1 . ILE 128 128 5513 1 . GLU 129 129 5513 1 . GLY 130 130 5513 1 . THR 131 131 5513 1 . ALA 132 132 5513 1 . LYS 133 133 5513 1 . SER 134 134 5513 1 . MET 135 135 5513 1 . GLY 136 136 5513 1 . ILE 137 137 5513 1 . GLU 138 138 5513 1 . VAL 139 139 5513 1 . VAL 140 140 5513 1 . ASP 141 141 5513 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 5513 _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 $L11_monomer . 2336 . . 'Thermotoga maritima' 'Thermotoga maritima' . . Eubacteria . Thermotoga maritima . . . . . . . . 43589D . . . . . . . rplK . . . . 5513 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 5513 _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 $L11_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET11a . . . . . . 5513 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_L11_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode L11_sample_1 _Sample.Entry_ID 5513 _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 'Ribosomal protein L11' '[U-95% 13C; U-95% 15N]' . . 1 $L11_monomer . . 1.3 . . mM . . . . 5513 1 2 'potassium phosphate' . . . . . . . 25 . . mM . . . . 5513 1 3 'potassium chloride' . . . . . . . 50 . . mM . . . . 5513 1 stop_ save_ save_L11_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode L11_sample_2 _Sample.Entry_ID 5513 _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 'Ribosomal protein L11' [U-15N] . . 1 $L11_monomer . . 1.5 . . mM . . . . 5513 2 2 'potassium phosphate' . . . . . . . 25 . . mM . . . . 5513 2 3 'potassium chloride' . . . . . . . 50 . . mM . . . . 5513 2 stop_ save_ ####################### # Sample conditions # ####################### save_Normal_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Normal_Conditions _Sample_condition_list.Entry_ID 5513 _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 6.1 0.2 na 5513 1 temperature 298 0.1 K 5513 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5513 _Software.ID 1 _Software.Name XEASY _Software.Version 1.3 _Software.Details ; Ch. Bartels, T.-H. Xia, M. Billeter, P. Guntert and K. Wuthrich (1995) The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. J. Biomolecular NMR 5, 1-10. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analysis of 2D and 3D NMR data' 5513 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5513 _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_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5513 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5513 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5513 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5513 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5513 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5513 1 3 NMR_spectrometer_3 Varian UnityInova . 600 . . . 5513 1 4 NMR_spectrometer_4 Varian UnityInova . 750 . . . 5513 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 5513 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 3 '1H-13C CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 7 HCC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 8 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 9 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 1 11 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5513 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 5513 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 2 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 9 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5513 _NMR_spec_expt.ID 11 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 5513 _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 TMSP 'methyl protons' . . . . ppm 0.0 internal direct 1.00000000 . . . . . . . . . 5513 1 N 15 TMSP 'methyl protons' . . . . ppm 0.0 . indirect 0.10132914 . . . . . . . . . 5513 1 C 13 TMSP 'methyl protons' . . . . ppm 0.0 . indirect 0.25145002 . . . . . . . . . 5513 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5513 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Normal_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' . . . 5513 1 2 '1H-13C HSQC' . . . 5513 1 3 '1H-13C CT-HSQC' . . . 5513 1 4 CBCA(CO)NH . . . 5513 1 5 HNCACB . . . 5513 1 6 HNCO . . . 5513 1 7 HCC(CO)NH . . . 5513 1 8 CC(CO)NH . . . 5513 1 9 HBHA(CO)NH . . . 5513 1 10 HCCH-TOCSY . . . 5513 1 11 HCCH-COSY . . . 5513 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.063 0.05 . 1 . . . . . . . . 5513 1 2 . 1 1 2 2 ALA HB1 H 1 1.514 0.05 . 1 . . . . . . . . 5513 1 3 . 1 1 2 2 ALA HB2 H 1 1.514 0.05 . 1 . . . . . . . . 5513 1 4 . 1 1 2 2 ALA HB3 H 1 1.514 0.05 . 1 . . . . . . . . 5513 1 5 . 1 1 2 2 ALA C C 13 174.870 0.2 . 1 . . . . . . . . 5513 1 6 . 1 1 2 2 ALA CA C 13 49.808 0.2 . 1 . . . . . . . . 5513 1 7 . 1 1 2 2 ALA CB C 13 17.559 0.2 . 1 . . . . . . . . 5513 1 8 . 1 1 3 3 LYS H H 1 8.403 0.05 . 1 . . . . . . . . 5513 1 9 . 1 1 3 3 LYS HA H 1 4.393 0.05 . 1 . . . . . . . . 5513 1 10 . 1 1 3 3 LYS HB2 H 1 1.676 0.05 . 1 . . . . . . . . 5513 1 11 . 1 1 3 3 LYS HB3 H 1 1.676 0.05 . 1 . . . . . . . . 5513 1 12 . 1 1 3 3 LYS HG2 H 1 1.278 0.05 . 1 . . . . . . . . 5513 1 13 . 1 1 3 3 LYS HG3 H 1 1.278 0.05 . 1 . . . . . . . . 5513 1 14 . 1 1 3 3 LYS HD2 H 1 1.108 0.05 . 2 . . . . . . . . 5513 1 15 . 1 1 3 3 LYS HD3 H 1 1.349 0.05 . 2 . . . . . . . . 5513 1 16 . 1 1 3 3 LYS HE2 H 1 2.621 0.05 . 1 . . . . . . . . 5513 1 17 . 1 1 3 3 LYS HE3 H 1 2.621 0.05 . 1 . . . . . . . . 5513 1 18 . 1 1 3 3 LYS C C 13 173.853 0.2 . 1 . . . . . . . . 5513 1 19 . 1 1 3 3 LYS CA C 13 54.402 0.2 . 1 . . . . . . . . 5513 1 20 . 1 1 3 3 LYS CB C 13 32.018 0.2 . 1 . . . . . . . . 5513 1 21 . 1 1 3 3 LYS CG C 13 23.323 0.2 . 1 . . . . . . . . 5513 1 22 . 1 1 3 3 LYS CD C 13 27.194 0.2 . 1 . . . . . . . . 5513 1 23 . 1 1 3 3 LYS CE C 13 39.896 0.2 . 1 . . . . . . . . 5513 1 24 . 1 1 3 3 LYS N N 15 120.870 0.1 . 1 . . . . . . . . 5513 1 25 . 1 1 4 4 LYS H H 1 8.901 0.05 . 1 . . . . . . . . 5513 1 26 . 1 1 4 4 LYS HA H 1 4.356 0.05 . 1 . . . . . . . . 5513 1 27 . 1 1 4 4 LYS HB2 H 1 1.757 0.05 . 1 . . . . . . . . 5513 1 28 . 1 1 4 4 LYS HB3 H 1 1.757 0.05 . 1 . . . . . . . . 5513 1 29 . 1 1 4 4 LYS HG2 H 1 1.486 0.05 . 1 . . . . . . . . 5513 1 30 . 1 1 4 4 LYS HG3 H 1 1.486 0.05 . 1 . . . . . . . . 5513 1 31 . 1 1 4 4 LYS HD2 H 1 1.485 0.05 . 1 . . . . . . . . 5513 1 32 . 1 1 4 4 LYS HD3 H 1 1.485 0.05 . 1 . . . . . . . . 5513 1 33 . 1 1 4 4 LYS HE2 H 1 2.915 0.05 . 1 . . . . . . . . 5513 1 34 . 1 1 4 4 LYS HE3 H 1 2.915 0.05 . 1 . . . . . . . . 5513 1 35 . 1 1 4 4 LYS C C 13 172.699 0.2 . 1 . . . . . . . . 5513 1 36 . 1 1 4 4 LYS CA C 13 54.447 0.2 . 1 . . . . . . . . 5513 1 37 . 1 1 4 4 LYS CB C 13 31.642 0.2 . 1 . . . . . . . . 5513 1 38 . 1 1 4 4 LYS CG C 13 22.491 0.2 . 1 . . . . . . . . 5513 1 39 . 1 1 4 4 LYS CD C 13 27.098 0.2 . 1 . . . . . . . . 5513 1 40 . 1 1 4 4 LYS CE C 13 40.112 0.2 . 1 . . . . . . . . 5513 1 41 . 1 1 4 4 LYS N N 15 123.524 0.1 . 1 . . . . . . . . 5513 1 42 . 1 1 5 5 VAL H H 1 8.740 0.05 . 1 . . . . . . . . 5513 1 43 . 1 1 5 5 VAL HA H 1 3.626 0.05 . 1 . . . . . . . . 5513 1 44 . 1 1 5 5 VAL HB H 1 2.017 0.05 . 1 . . . . . . . . 5513 1 45 . 1 1 5 5 VAL HG11 H 1 0.710 0.05 . 2 . . . . . . . . 5513 1 46 . 1 1 5 5 VAL HG12 H 1 0.710 0.05 . 2 . . . . . . . . 5513 1 47 . 1 1 5 5 VAL HG13 H 1 0.710 0.05 . 2 . . . . . . . . 5513 1 48 . 1 1 5 5 VAL HG21 H 1 0.956 0.05 . 2 . . . . . . . . 5513 1 49 . 1 1 5 5 VAL HG22 H 1 0.956 0.05 . 2 . . . . . . . . 5513 1 50 . 1 1 5 5 VAL HG23 H 1 0.956 0.05 . 2 . . . . . . . . 5513 1 51 . 1 1 5 5 VAL C C 13 173.663 0.2 . 1 . . . . . . . . 5513 1 52 . 1 1 5 5 VAL CA C 13 62.599 0.2 . 1 . . . . . . . . 5513 1 53 . 1 1 5 5 VAL CB C 13 31.211 0.2 . 1 . . . . . . . . 5513 1 54 . 1 1 5 5 VAL CG1 C 13 19.509 0.2 . 2 . . . . . . . . 5513 1 55 . 1 1 5 5 VAL CG2 C 13 20.481 0.2 . 2 . . . . . . . . 5513 1 56 . 1 1 5 5 VAL N N 15 125.720 0.1 . 1 . . . . . . . . 5513 1 57 . 1 1 6 6 ALA H H 1 9.650 0.05 . 1 . . . . . . . . 5513 1 58 . 1 1 6 6 ALA HA H 1 4.517 0.05 . 1 . . . . . . . . 5513 1 59 . 1 1 6 6 ALA HB1 H 1 1.175 0.05 . 1 . . . . . . . . 5513 1 60 . 1 1 6 6 ALA HB2 H 1 1.175 0.05 . 1 . . . . . . . . 5513 1 61 . 1 1 6 6 ALA HB3 H 1 1.175 0.05 . 1 . . . . . . . . 5513 1 62 . 1 1 6 6 ALA C C 13 175.229 0.2 . 1 . . . . . . . . 5513 1 63 . 1 1 6 6 ALA CA C 13 50.781 0.2 . 1 . . . . . . . . 5513 1 64 . 1 1 6 6 ALA CB C 13 18.938 0.2 . 1 . . . . . . . . 5513 1 65 . 1 1 6 6 ALA N N 15 131.338 0.1 . 1 . . . . . . . . 5513 1 66 . 1 1 7 7 ALA H H 1 7.877 0.05 . 1 . . . . . . . . 5513 1 67 . 1 1 7 7 ALA HA H 1 4.382 0.05 . 1 . . . . . . . . 5513 1 68 . 1 1 7 7 ALA HB1 H 1 0.817 0.05 . 1 . . . . . . . . 5513 1 69 . 1 1 7 7 ALA HB2 H 1 0.817 0.05 . 1 . . . . . . . . 5513 1 70 . 1 1 7 7 ALA HB3 H 1 0.817 0.05 . 1 . . . . . . . . 5513 1 71 . 1 1 7 7 ALA C C 13 172.610 0.2 . 1 . . . . . . . . 5513 1 72 . 1 1 7 7 ALA CA C 13 49.962 0.2 . 1 . . . . . . . . 5513 1 73 . 1 1 7 7 ALA CB C 13 19.550 0.2 . 1 . . . . . . . . 5513 1 74 . 1 1 7 7 ALA N N 15 118.049 0.1 . 1 . . . . . . . . 5513 1 75 . 1 1 8 8 GLN H H 1 8.269 0.05 . 1 . . . . . . . . 5513 1 76 . 1 1 8 8 GLN HA H 1 5.309 0.05 . 1 . . . . . . . . 5513 1 77 . 1 1 8 8 GLN HB2 H 1 1.852 0.05 . 2 . . . . . . . . 5513 1 78 . 1 1 8 8 GLN HB3 H 1 1.709 0.05 . 2 . . . . . . . . 5513 1 79 . 1 1 8 8 GLN HG2 H 1 2.069 0.05 . 2 . . . . . . . . 5513 1 80 . 1 1 8 8 GLN HG3 H 1 2.171 0.05 . 2 . . . . . . . . 5513 1 81 . 1 1 8 8 GLN HE21 H 1 6.856 0.05 . 2 . . . . . . . . 5513 1 82 . 1 1 8 8 GLN HE22 H 1 7.339 0.05 . 2 . . . . . . . . 5513 1 83 . 1 1 8 8 GLN C C 13 172.913 0.2 . 1 . . . . . . . . 5513 1 84 . 1 1 8 8 GLN CA C 13 52.995 0.2 . 1 . . . . . . . . 5513 1 85 . 1 1 8 8 GLN CB C 13 30.238 0.2 . 1 . . . . . . . . 5513 1 86 . 1 1 8 8 GLN CG C 13 32.895 0.2 . 1 . . . . . . . . 5513 1 87 . 1 1 8 8 GLN N N 15 117.803 0.1 . 1 . . . . . . . . 5513 1 88 . 1 1 8 8 GLN NE2 N 15 111.841 0.1 . 1 . . . . . . . . 5513 1 89 . 1 1 9 9 ILE H H 1 9.230 0.05 . 1 . . . . . . . . 5513 1 90 . 1 1 9 9 ILE HA H 1 4.298 0.05 . 1 . . . . . . . . 5513 1 91 . 1 1 9 9 ILE HB H 1 1.474 0.05 . 1 . . . . . . . . 5513 1 92 . 1 1 9 9 ILE HG12 H 1 1.170 0.05 . 2 . . . . . . . . 5513 1 93 . 1 1 9 9 ILE HG13 H 1 0.910 0.05 . 2 . . . . . . . . 5513 1 94 . 1 1 9 9 ILE HG21 H 1 0.702 0.05 . 1 . . . . . . . . 5513 1 95 . 1 1 9 9 ILE HG22 H 1 0.702 0.05 . 1 . . . . . . . . 5513 1 96 . 1 1 9 9 ILE HG23 H 1 0.702 0.05 . 1 . . . . . . . . 5513 1 97 . 1 1 9 9 ILE HD11 H 1 0.519 0.05 . 1 . . . . . . . . 5513 1 98 . 1 1 9 9 ILE HD12 H 1 0.519 0.05 . 1 . . . . . . . . 5513 1 99 . 1 1 9 9 ILE HD13 H 1 0.519 0.05 . 1 . . . . . . . . 5513 1 100 . 1 1 9 9 ILE C C 13 171.957 0.2 . 1 . . . . . . . . 5513 1 101 . 1 1 9 9 ILE CA C 13 58.416 0.2 . 1 . . . . . . . . 5513 1 102 . 1 1 9 9 ILE CB C 13 40.213 0.2 . 1 . . . . . . . . 5513 1 103 . 1 1 9 9 ILE CG1 C 13 25.238 0.2 . 1 . . . . . . . . 5513 1 104 . 1 1 9 9 ILE CG2 C 13 16.146 0.2 . 1 . . . . . . . . 5513 1 105 . 1 1 9 9 ILE CD1 C 13 13.434 0.2 . 1 . . . . . . . . 5513 1 106 . 1 1 9 9 ILE N N 15 125.137 0.1 . 1 . . . . . . . . 5513 1 107 . 1 1 10 10 LYS H H 1 8.691 0.05 . 1 . . . . . . . . 5513 1 108 . 1 1 10 10 LYS HA H 1 5.279 0.05 . 1 . . . . . . . . 5513 1 109 . 1 1 10 10 LYS HB2 H 1 1.855 0.05 . 2 . . . . . . . . 5513 1 110 . 1 1 10 10 LYS HB3 H 1 1.716 0.05 . 2 . . . . . . . . 5513 1 111 . 1 1 10 10 LYS HG2 H 1 1.321 0.05 . 2 . . . . . . . . 5513 1 112 . 1 1 10 10 LYS HG3 H 1 1.392 0.05 . 2 . . . . . . . . 5513 1 113 . 1 1 10 10 LYS HD2 H 1 1.670 0.05 . 1 . . . . . . . . 5513 1 114 . 1 1 10 10 LYS HD3 H 1 1.670 0.05 . 1 . . . . . . . . 5513 1 115 . 1 1 10 10 LYS HE2 H 1 2.868 0.05 . 1 . . . . . . . . 5513 1 116 . 1 1 10 10 LYS HE3 H 1 2.868 0.05 . 1 . . . . . . . . 5513 1 117 . 1 1 10 10 LYS C C 13 173.466 0.2 . 1 . . . . . . . . 5513 1 118 . 1 1 10 10 LYS CA C 13 53.442 0.2 . 1 . . . . . . . . 5513 1 119 . 1 1 10 10 LYS CB C 13 31.599 0.2 . 1 . . . . . . . . 5513 1 120 . 1 1 10 10 LYS CG C 13 23.578 0.2 . 1 . . . . . . . . 5513 1 121 . 1 1 10 10 LYS CD C 13 27.576 0.2 . 1 . . . . . . . . 5513 1 122 . 1 1 10 10 LYS CE C 13 40.023 0.2 . 1 . . . . . . . . 5513 1 123 . 1 1 10 10 LYS N N 15 127.499 0.1 . 1 . . . . . . . . 5513 1 124 . 1 1 11 11 LEU H H 1 8.524 0.05 . 1 . . . . . . . . 5513 1 125 . 1 1 11 11 LEU HA H 1 4.733 0.05 . 1 . . . . . . . . 5513 1 126 . 1 1 11 11 LEU HB2 H 1 1.263 0.05 . 2 . . . . . . . . 5513 1 127 . 1 1 11 11 LEU HB3 H 1 1.218 0.05 . 2 . . . . . . . . 5513 1 128 . 1 1 11 11 LEU HG H 1 0.421 0.05 . 1 . . . . . . . . 5513 1 129 . 1 1 11 11 LEU HD11 H 1 0.732 0.05 . 1 . . . . . . . . 5513 1 130 . 1 1 11 11 LEU HD12 H 1 0.732 0.05 . 1 . . . . . . . . 5513 1 131 . 1 1 11 11 LEU HD13 H 1 0.732 0.05 . 1 . . . . . . . . 5513 1 132 . 1 1 11 11 LEU HD21 H 1 0.732 0.05 . 1 . . . . . . . . 5513 1 133 . 1 1 11 11 LEU HD22 H 1 0.732 0.05 . 1 . . . . . . . . 5513 1 134 . 1 1 11 11 LEU HD23 H 1 0.732 0.05 . 1 . . . . . . . . 5513 1 135 . 1 1 11 11 LEU C C 13 172.954 0.2 . 1 . . . . . . . . 5513 1 136 . 1 1 11 11 LEU CA C 13 51.187 0.2 . 1 . . . . . . . . 5513 1 137 . 1 1 11 11 LEU CB C 13 45.348 0.2 . 1 . . . . . . . . 5513 1 138 . 1 1 11 11 LEU CG C 13 24.524 0.2 . 1 . . . . . . . . 5513 1 139 . 1 1 11 11 LEU CD1 C 13 21.492 0.2 . 1 . . . . . . . . 5513 1 140 . 1 1 11 11 LEU CD2 C 13 21.492 0.2 . 1 . . . . . . . . 5513 1 141 . 1 1 11 11 LEU N N 15 122.652 0.1 . 1 . . . . . . . . 5513 1 142 . 1 1 12 12 GLN H H 1 8.248 0.05 . 1 . . . . . . . . 5513 1 143 . 1 1 12 12 GLN HA H 1 5.064 0.05 . 1 . . . . . . . . 5513 1 144 . 1 1 12 12 GLN HB2 H 1 1.728 0.05 . 2 . . . . . . . . 5513 1 145 . 1 1 12 12 GLN HB3 H 1 1.833 0.05 . 2 . . . . . . . . 5513 1 146 . 1 1 12 12 GLN HG2 H 1 2.073 0.05 . 2 . . . . . . . . 5513 1 147 . 1 1 12 12 GLN HG3 H 1 2.272 0.05 . 2 . . . . . . . . 5513 1 148 . 1 1 12 12 GLN HE21 H 1 6.702 0.05 . 2 . . . . . . . . 5513 1 149 . 1 1 12 12 GLN HE22 H 1 7.392 0.05 . 2 . . . . . . . . 5513 1 150 . 1 1 12 12 GLN C C 13 173.257 0.2 . 1 . . . . . . . . 5513 1 151 . 1 1 12 12 GLN CA C 13 53.051 0.2 . 1 . . . . . . . . 5513 1 152 . 1 1 12 12 GLN CB C 13 27.737 0.2 . 1 . . . . . . . . 5513 1 153 . 1 1 12 12 GLN CG C 13 31.873 0.2 . 1 . . . . . . . . 5513 1 154 . 1 1 12 12 GLN N N 15 119.803 0.1 . 1 . . . . . . . . 5513 1 155 . 1 1 12 12 GLN NE2 N 15 110.124 0.1 . 1 . . . . . . . . 5513 1 156 . 1 1 13 13 LEU H H 1 8.624 0.05 . 1 . . . . . . . . 5513 1 157 . 1 1 13 13 LEU HA H 1 5.003 0.05 . 1 . . . . . . . . 5513 1 158 . 1 1 13 13 LEU HB2 H 1 1.378 0.05 . 2 . . . . . . . . 5513 1 159 . 1 1 13 13 LEU HB3 H 1 0.875 0.05 . 2 . . . . . . . . 5513 1 160 . 1 1 13 13 LEU HG H 1 1.178 0.05 . 1 . . . . . . . . 5513 1 161 . 1 1 13 13 LEU HD11 H 1 0.097 0.05 . 2 . . . . . . . . 5513 1 162 . 1 1 13 13 LEU HD12 H 1 0.097 0.05 . 2 . . . . . . . . 5513 1 163 . 1 1 13 13 LEU HD13 H 1 0.097 0.05 . 2 . . . . . . . . 5513 1 164 . 1 1 13 13 LEU HD21 H 1 0.746 0.05 . 2 . . . . . . . . 5513 1 165 . 1 1 13 13 LEU HD22 H 1 0.746 0.05 . 2 . . . . . . . . 5513 1 166 . 1 1 13 13 LEU HD23 H 1 0.746 0.05 . 2 . . . . . . . . 5513 1 167 . 1 1 13 13 LEU C C 13 174.090 0.2 . 1 . . . . . . . . 5513 1 168 . 1 1 13 13 LEU CA C 13 49.089 0.2 . 1 . . . . . . . . 5513 1 169 . 1 1 13 13 LEU CB C 13 44.243 0.2 . 1 . . . . . . . . 5513 1 170 . 1 1 13 13 LEU CG C 13 24.222 0.2 . 1 . . . . . . . . 5513 1 171 . 1 1 13 13 LEU CD1 C 13 23.054 0.2 . 2 . . . . . . . . 5513 1 172 . 1 1 13 13 LEU CD2 C 13 21.992 0.2 . 2 . . . . . . . . 5513 1 173 . 1 1 13 13 LEU N N 15 122.465 0.1 . 1 . . . . . . . . 5513 1 174 . 1 1 14 14 PRO HA H 1 4.716 0.05 . 1 . . . . . . . . 5513 1 175 . 1 1 14 14 PRO HB2 H 1 1.826 0.05 . 2 . . . . . . . . 5513 1 176 . 1 1 14 14 PRO HB3 H 1 2.127 0.05 . 2 . . . . . . . . 5513 1 177 . 1 1 14 14 PRO HG2 H 1 1.893 0.05 . 1 . . . . . . . . 5513 1 178 . 1 1 14 14 PRO HG3 H 1 1.893 0.05 . 1 . . . . . . . . 5513 1 179 . 1 1 14 14 PRO HD2 H 1 3.515 0.05 . 1 . . . . . . . . 5513 1 180 . 1 1 14 14 PRO HD3 H 1 3.515 0.05 . 1 . . . . . . . . 5513 1 181 . 1 1 14 14 PRO C C 13 174.288 0.2 . 1 . . . . . . . . 5513 1 182 . 1 1 14 14 PRO CA C 13 59.697 0.2 . 1 . . . . . . . . 5513 1 183 . 1 1 14 14 PRO CB C 13 29.235 0.2 . 1 . . . . . . . . 5513 1 184 . 1 1 14 14 PRO CG C 13 25.196 0.2 . 1 . . . . . . . . 5513 1 185 . 1 1 14 14 PRO CD C 13 48.351 0.2 . 1 . . . . . . . . 5513 1 186 . 1 1 15 15 ALA H H 1 8.571 0.05 . 1 . . . . . . . . 5513 1 187 . 1 1 15 15 ALA HA H 1 3.882 0.05 . 1 . . . . . . . . 5513 1 188 . 1 1 15 15 ALA HB1 H 1 1.459 0.05 . 1 . . . . . . . . 5513 1 189 . 1 1 15 15 ALA HB2 H 1 1.459 0.05 . 1 . . . . . . . . 5513 1 190 . 1 1 15 15 ALA HB3 H 1 1.459 0.05 . 1 . . . . . . . . 5513 1 191 . 1 1 15 15 ALA C C 13 177.177 0.2 . 1 . . . . . . . . 5513 1 192 . 1 1 15 15 ALA CA C 13 51.551 0.2 . 1 . . . . . . . . 5513 1 193 . 1 1 15 15 ALA CB C 13 18.092 0.2 . 1 . . . . . . . . 5513 1 194 . 1 1 15 15 ALA N N 15 127.642 0.1 . 1 . . . . . . . . 5513 1 195 . 1 1 16 16 GLY H H 1 8.454 0.05 . 1 . . . . . . . . 5513 1 196 . 1 1 16 16 GLY HA2 H 1 4.010 0.05 . 2 . . . . . . . . 5513 1 197 . 1 1 16 16 GLY HA3 H 1 3.568 0.05 . 2 . . . . . . . . 5513 1 198 . 1 1 16 16 GLY C C 13 171.898 0.2 . 1 . . . . . . . . 5513 1 199 . 1 1 16 16 GLY CA C 13 43.930 0.2 . 1 . . . . . . . . 5513 1 200 . 1 1 16 16 GLY N N 15 108.919 0.1 . 1 . . . . . . . . 5513 1 201 . 1 1 17 17 LYS H H 1 7.708 0.05 . 1 . . . . . . . . 5513 1 202 . 1 1 17 17 LYS HA H 1 4.669 0.05 . 1 . . . . . . . . 5513 1 203 . 1 1 17 17 LYS HB2 H 1 2.136 0.05 . 2 . . . . . . . . 5513 1 204 . 1 1 17 17 LYS HB3 H 1 1.342 0.05 . 2 . . . . . . . . 5513 1 205 . 1 1 17 17 LYS HG2 H 1 1.330 0.05 . 1 . . . . . . . . 5513 1 206 . 1 1 17 17 LYS HG3 H 1 1.330 0.05 . 1 . . . . . . . . 5513 1 207 . 1 1 17 17 LYS HD2 H 1 1.692 0.05 . 1 . . . . . . . . 5513 1 208 . 1 1 17 17 LYS HD3 H 1 1.692 0.05 . 1 . . . . . . . . 5513 1 209 . 1 1 17 17 LYS HE2 H 1 2.887 0.05 . 1 . . . . . . . . 5513 1 210 . 1 1 17 17 LYS HE3 H 1 2.887 0.05 . 1 . . . . . . . . 5513 1 211 . 1 1 17 17 LYS C C 13 173.978 0.2 . 1 . . . . . . . . 5513 1 212 . 1 1 17 17 LYS CA C 13 52.891 0.2 . 1 . . . . . . . . 5513 1 213 . 1 1 17 17 LYS CB C 13 31.626 0.2 . 1 . . . . . . . . 5513 1 214 . 1 1 17 17 LYS CG C 13 22.358 0.2 . 1 . . . . . . . . 5513 1 215 . 1 1 17 17 LYS CD C 13 26.999 0.2 . 1 . . . . . . . . 5513 1 216 . 1 1 17 17 LYS CE C 13 40.112 0.2 . 1 . . . . . . . . 5513 1 217 . 1 1 17 17 LYS N N 15 119.654 0.1 . 1 . . . . . . . . 5513 1 218 . 1 1 18 18 ALA H H 1 10.054 0.05 . 1 . . . . . . . . 5513 1 219 . 1 1 18 18 ALA HA H 1 4.441 0.05 . 1 . . . . . . . . 5513 1 220 . 1 1 18 18 ALA HB1 H 1 1.337 0.05 . 1 . . . . . . . . 5513 1 221 . 1 1 18 18 ALA HB2 H 1 1.337 0.05 . 1 . . . . . . . . 5513 1 222 . 1 1 18 18 ALA HB3 H 1 1.337 0.05 . 1 . . . . . . . . 5513 1 223 . 1 1 18 18 ALA C C 13 175.927 0.2 . 1 . . . . . . . . 5513 1 224 . 1 1 18 18 ALA CA C 13 51.949 0.2 . 1 . . . . . . . . 5513 1 225 . 1 1 18 18 ALA CB C 13 17.551 0.2 . 1 . . . . . . . . 5513 1 226 . 1 1 18 18 ALA N N 15 125.580 0.1 . 1 . . . . . . . . 5513 1 227 . 1 1 19 19 THR H H 1 7.949 0.05 . 1 . . . . . . . . 5513 1 228 . 1 1 19 19 THR HA H 1 3.820 0.05 . 1 . . . . . . . . 5513 1 229 . 1 1 19 19 THR HB H 1 4.576 0.05 . 1 . . . . . . . . 5513 1 230 . 1 1 19 19 THR HG21 H 1 1.222 0.05 . 1 . . . . . . . . 5513 1 231 . 1 1 19 19 THR HG22 H 1 1.222 0.05 . 1 . . . . . . . . 5513 1 232 . 1 1 19 19 THR HG23 H 1 1.222 0.05 . 1 . . . . . . . . 5513 1 233 . 1 1 19 19 THR C C 13 170.345 0.2 . 1 . . . . . . . . 5513 1 234 . 1 1 19 19 THR CA C 13 58.077 0.2 . 1 . . . . . . . . 5513 1 235 . 1 1 19 19 THR CB C 13 68.165 0.2 . 1 . . . . . . . . 5513 1 236 . 1 1 19 19 THR CG2 C 13 19.270 0.2 . 1 . . . . . . . . 5513 1 237 . 1 1 19 19 THR N N 15 113.992 0.1 . 1 . . . . . . . . 5513 1 238 . 1 1 20 20 PRO HA H 1 3.981 0.05 . 1 . . . . . . . . 5513 1 239 . 1 1 20 20 PRO HB2 H 1 1.960 0.05 . 2 . . . . . . . . 5513 1 240 . 1 1 20 20 PRO HB3 H 1 2.308 0.05 . 2 . . . . . . . . 5513 1 241 . 1 1 20 20 PRO HG2 H 1 1.736 0.05 . 2 . . . . . . . . 5513 1 242 . 1 1 20 20 PRO HG3 H 1 1.987 0.05 . 2 . . . . . . . . 5513 1 243 . 1 1 20 20 PRO HD2 H 1 3.922 0.05 . 1 . . . . . . . . 5513 1 244 . 1 1 20 20 PRO HD3 H 1 3.922 0.05 . 1 . . . . . . . . 5513 1 245 . 1 1 20 20 PRO C C 13 174.273 0.2 . 1 . . . . . . . . 5513 1 246 . 1 1 20 20 PRO CA C 13 61.673 0.2 . 1 . . . . . . . . 5513 1 247 . 1 1 20 20 PRO CB C 13 30.233 0.2 . 1 . . . . . . . . 5513 1 248 . 1 1 20 20 PRO CG C 13 26.320 0.2 . 1 . . . . . . . . 5513 1 249 . 1 1 20 20 PRO CD C 13 49.018 0.2 . 1 . . . . . . . . 5513 1 250 . 1 1 21 21 ALA H H 1 7.375 0.05 . 1 . . . . . . . . 5513 1 251 . 1 1 21 21 ALA HA H 1 4.447 0.05 . 1 . . . . . . . . 5513 1 252 . 1 1 21 21 ALA HB1 H 1 1.369 0.05 . 1 . . . . . . . . 5513 1 253 . 1 1 21 21 ALA HB2 H 1 1.369 0.05 . 1 . . . . . . . . 5513 1 254 . 1 1 21 21 ALA HB3 H 1 1.369 0.05 . 1 . . . . . . . . 5513 1 255 . 1 1 21 21 ALA C C 13 173.074 0.2 . 1 . . . . . . . . 5513 1 256 . 1 1 21 21 ALA CA C 13 49.462 0.2 . 1 . . . . . . . . 5513 1 257 . 1 1 21 21 ALA CB C 13 14.978 0.2 . 1 . . . . . . . . 5513 1 258 . 1 1 21 21 ALA N N 15 120.638 0.1 . 1 . . . . . . . . 5513 1 259 . 1 1 23 23 PRO HA H 1 4.567 0.05 . 1 . . . . . . . . 5513 1 260 . 1 1 23 23 PRO HB2 H 1 2.190 0.05 . 2 . . . . . . . . 5513 1 261 . 1 1 23 23 PRO HB3 H 1 2.383 0.05 . 2 . . . . . . . . 5513 1 262 . 1 1 23 23 PRO HG2 H 1 2.207 0.05 . 1 . . . . . . . . 5513 1 263 . 1 1 23 23 PRO HG3 H 1 2.207 0.05 . 1 . . . . . . . . 5513 1 264 . 1 1 23 23 PRO HD2 H 1 3.604 0.05 . 1 . . . . . . . . 5513 1 265 . 1 1 23 23 PRO HD3 H 1 3.604 0.05 . 1 . . . . . . . . 5513 1 266 . 1 1 23 23 PRO C C 13 174.848 0.2 . 1 . . . . . . . . 5513 1 267 . 1 1 23 23 PRO CA C 13 62.198 0.2 . 1 . . . . . . . . 5513 1 268 . 1 1 23 23 PRO CB C 13 33.200 0.2 . 1 . . . . . . . . 5513 1 269 . 1 1 23 23 PRO CG C 13 22.864 0.2 . 1 . . . . . . . . 5513 1 270 . 1 1 23 23 PRO CD C 13 48.004 0.2 . 1 . . . . . . . . 5513 1 271 . 1 1 24 24 VAL H H 1 8.154 0.05 . 1 . . . . . . . . 5513 1 272 . 1 1 24 24 VAL HA H 1 3.202 0.05 . 1 . . . . . . . . 5513 1 273 . 1 1 24 24 VAL HB H 1 2.550 0.05 . 1 . . . . . . . . 5513 1 274 . 1 1 24 24 VAL HG11 H 1 0.653 0.05 . 2 . . . . . . . . 5513 1 275 . 1 1 24 24 VAL HG12 H 1 0.653 0.05 . 2 . . . . . . . . 5513 1 276 . 1 1 24 24 VAL HG13 H 1 0.653 0.05 . 2 . . . . . . . . 5513 1 277 . 1 1 24 24 VAL HG21 H 1 0.988 0.05 . 2 . . . . . . . . 5513 1 278 . 1 1 24 24 VAL HG22 H 1 0.988 0.05 . 2 . . . . . . . . 5513 1 279 . 1 1 24 24 VAL HG23 H 1 0.988 0.05 . 2 . . . . . . . . 5513 1 280 . 1 1 24 24 VAL C C 13 175.336 0.2 . 1 . . . . . . . . 5513 1 281 . 1 1 24 24 VAL CA C 13 65.549 0.2 . 1 . . . . . . . . 5513 1 282 . 1 1 24 24 VAL CB C 13 29.737 0.2 . 1 . . . . . . . . 5513 1 283 . 1 1 24 24 VAL CG1 C 13 20.214 0.2 . 2 . . . . . . . . 5513 1 284 . 1 1 24 24 VAL CG2 C 13 22.965 0.2 . 2 . . . . . . . . 5513 1 285 . 1 1 24 24 VAL N N 15 127.136 0.1 . 1 . . . . . . . . 5513 1 286 . 1 1 25 25 GLY H H 1 6.861 0.05 . 1 . . . . . . . . 5513 1 287 . 1 1 25 25 GLY HA2 H 1 4.194 0.05 . 2 . . . . . . . . 5513 1 288 . 1 1 25 25 GLY HA3 H 1 3.665 0.05 . 2 . . . . . . . . 5513 1 289 . 1 1 25 25 GLY C C 13 173.109 0.2 . 1 . . . . . . . . 5513 1 290 . 1 1 25 25 GLY CA C 13 47.238 0.2 . 1 . . . . . . . . 5513 1 291 . 1 1 25 25 GLY N N 15 103.379 0.1 . 1 . . . . . . . . 5513 1 292 . 1 1 26 26 PRO HA H 1 4.296 0.05 . 1 . . . . . . . . 5513 1 293 . 1 1 26 26 PRO HB2 H 1 1.879 0.05 . 2 . . . . . . . . 5513 1 294 . 1 1 26 26 PRO HB3 H 1 2.414 0.05 . 2 . . . . . . . . 5513 1 295 . 1 1 26 26 PRO HG2 H 1 2.038 0.05 . 1 . . . . . . . . 5513 1 296 . 1 1 26 26 PRO HG3 H 1 2.038 0.05 . 1 . . . . . . . . 5513 1 297 . 1 1 26 26 PRO HD2 H 1 3.325 0.05 . 2 . . . . . . . . 5513 1 298 . 1 1 26 26 PRO HD3 H 1 3.582 0.05 . 2 . . . . . . . . 5513 1 299 . 1 1 26 26 PRO C C 13 176.691 0.2 . 1 . . . . . . . . 5513 1 300 . 1 1 26 26 PRO CA C 13 62.701 0.2 . 1 . . . . . . . . 5513 1 301 . 1 1 26 26 PRO CB C 13 29.905 0.2 . 1 . . . . . . . . 5513 1 302 . 1 1 26 26 PRO CG C 13 25.577 0.2 . 1 . . . . . . . . 5513 1 303 . 1 1 26 26 PRO CD C 13 48.822 0.2 . 1 . . . . . . . . 5513 1 304 . 1 1 27 27 ALA H H 1 6.988 0.05 . 1 . . . . . . . . 5513 1 305 . 1 1 27 27 ALA HA H 1 4.220 0.05 . 1 . . . . . . . . 5513 1 306 . 1 1 27 27 ALA HB1 H 1 1.411 0.05 . 1 . . . . . . . . 5513 1 307 . 1 1 27 27 ALA HB2 H 1 1.411 0.05 . 1 . . . . . . . . 5513 1 308 . 1 1 27 27 ALA HB3 H 1 1.411 0.05 . 1 . . . . . . . . 5513 1 309 . 1 1 27 27 ALA C C 13 177.154 0.2 . 1 . . . . . . . . 5513 1 310 . 1 1 27 27 ALA CA C 13 52.697 0.2 . 1 . . . . . . . . 5513 1 311 . 1 1 27 27 ALA CB C 13 17.163 0.2 . 1 . . . . . . . . 5513 1 312 . 1 1 27 27 ALA N N 15 116.921 0.1 . 1 . . . . . . . . 5513 1 313 . 1 1 28 28 LEU H H 1 7.951 0.05 . 1 . . . . . . . . 5513 1 314 . 1 1 28 28 LEU HA H 1 4.076 0.05 . 1 . . . . . . . . 5513 1 315 . 1 1 28 28 LEU HB2 H 1 1.484 0.05 . 2 . . . . . . . . 5513 1 316 . 1 1 28 28 LEU HB3 H 1 1.096 0.05 . 2 . . . . . . . . 5513 1 317 . 1 1 28 28 LEU HG H 1 1.244 0.05 . 1 . . . . . . . . 5513 1 318 . 1 1 28 28 LEU HD11 H 1 0.141 0.05 . 2 . . . . . . . . 5513 1 319 . 1 1 28 28 LEU HD12 H 1 0.141 0.05 . 2 . . . . . . . . 5513 1 320 . 1 1 28 28 LEU HD13 H 1 0.141 0.05 . 2 . . . . . . . . 5513 1 321 . 1 1 28 28 LEU HD21 H 1 0.202 0.05 . 2 . . . . . . . . 5513 1 322 . 1 1 28 28 LEU HD22 H 1 0.202 0.05 . 2 . . . . . . . . 5513 1 323 . 1 1 28 28 LEU HD23 H 1 0.202 0.05 . 2 . . . . . . . . 5513 1 324 . 1 1 28 28 LEU C C 13 178.111 0.2 . 1 . . . . . . . . 5513 1 325 . 1 1 28 28 LEU CA C 13 55.139 0.2 . 1 . . . . . . . . 5513 1 326 . 1 1 28 28 LEU CB C 13 39.697 0.2 . 1 . . . . . . . . 5513 1 327 . 1 1 28 28 LEU CG C 13 26.618 0.2 . 1 . . . . . . . . 5513 1 328 . 1 1 28 28 LEU CD1 C 13 22.861 0.2 . 2 . . . . . . . . 5513 1 329 . 1 1 28 28 LEU CD2 C 13 21.581 0.2 . 2 . . . . . . . . 5513 1 330 . 1 1 28 28 LEU N N 15 114.104 0.1 . 1 . . . . . . . . 5513 1 331 . 1 1 29 29 GLY H H 1 8.758 0.05 . 1 . . . . . . . . 5513 1 332 . 1 1 29 29 GLY HA2 H 1 4.073 0.05 . 2 . . . . . . . . 5513 1 333 . 1 1 29 29 GLY HA3 H 1 3.996 0.05 . 2 . . . . . . . . 5513 1 334 . 1 1 29 29 GLY C C 13 175.430 0.2 . 1 . . . . . . . . 5513 1 335 . 1 1 29 29 GLY CA C 13 45.279 0.2 . 1 . . . . . . . . 5513 1 336 . 1 1 29 29 GLY N N 15 109.694 0.1 . 1 . . . . . . . . 5513 1 337 . 1 1 30 30 GLN H H 1 7.430 0.05 . 1 . . . . . . . . 5513 1 338 . 1 1 30 30 GLN HA H 1 4.097 0.05 . 1 . . . . . . . . 5513 1 339 . 1 1 30 30 GLN HB2 H 1 1.984 0.05 . 2 . . . . . . . . 5513 1 340 . 1 1 30 30 GLN HB3 H 1 1.738 0.05 . 2 . . . . . . . . 5513 1 341 . 1 1 30 30 GLN HG2 H 1 1.950 0.05 . 2 . . . . . . . . 5513 1 342 . 1 1 30 30 GLN HG3 H 1 2.032 0.05 . 2 . . . . . . . . 5513 1 343 . 1 1 30 30 GLN HE21 H 1 7.407 0.05 . 2 . . . . . . . . 5513 1 344 . 1 1 30 30 GLN HE22 H 1 6.814 0.05 . 2 . . . . . . . . 5513 1 345 . 1 1 30 30 GLN C C 13 173.888 0.2 . 1 . . . . . . . . 5513 1 346 . 1 1 30 30 GLN CA C 13 55.623 0.2 . 1 . . . . . . . . 5513 1 347 . 1 1 30 30 GLN CB C 13 25.909 0.2 . 1 . . . . . . . . 5513 1 348 . 1 1 30 30 GLN CG C 13 30.959 0.2 . 1 . . . . . . . . 5513 1 349 . 1 1 30 30 GLN N N 15 118.214 0.1 . 1 . . . . . . . . 5513 1 350 . 1 1 30 30 GLN NE2 N 15 111.624 0.1 . 1 . . . . . . . . 5513 1 351 . 1 1 31 31 HIS H H 1 7.059 0.05 . 1 . . . . . . . . 5513 1 352 . 1 1 31 31 HIS HA H 1 4.730 0.05 . 1 . . . . . . . . 5513 1 353 . 1 1 31 31 HIS HB2 H 1 2.648 0.05 . 2 . . . . . . . . 5513 1 354 . 1 1 31 31 HIS HB3 H 1 3.401 0.05 . 2 . . . . . . . . 5513 1 355 . 1 1 31 31 HIS HD2 H 1 6.925 0.05 . 1 . . . . . . . . 5513 1 356 . 1 1 31 31 HIS HE1 H 1 7.634 0.05 . 1 . . . . . . . . 5513 1 357 . 1 1 31 31 HIS C C 13 173.173 0.2 . 1 . . . . . . . . 5513 1 358 . 1 1 31 31 HIS CA C 13 53.791 0.2 . 1 . . . . . . . . 5513 1 359 . 1 1 31 31 HIS CB C 13 30.267 0.2 . 1 . . . . . . . . 5513 1 360 . 1 1 31 31 HIS CD2 C 13 119.612 0.2 . 1 . . . . . . . . 5513 1 361 . 1 1 31 31 HIS CE1 C 13 138.926 0.2 . 1 . . . . . . . . 5513 1 362 . 1 1 31 31 HIS N N 15 114.580 0.1 . 1 . . . . . . . . 5513 1 363 . 1 1 32 32 GLY H H 1 7.764 0.05 . 1 . . . . . . . . 5513 1 364 . 1 1 32 32 GLY HA2 H 1 4.000 0.05 . 2 . . . . . . . . 5513 1 365 . 1 1 32 32 GLY HA3 H 1 3.938 0.05 . 2 . . . . . . . . 5513 1 366 . 1 1 32 32 GLY C C 13 171.874 0.2 . 1 . . . . . . . . 5513 1 367 . 1 1 32 32 GLY CA C 13 44.541 0.2 . 1 . . . . . . . . 5513 1 368 . 1 1 32 32 GLY N N 15 106.310 0.1 . 1 . . . . . . . . 5513 1 369 . 1 1 33 33 VAL H H 1 6.861 0.05 . 1 . . . . . . . . 5513 1 370 . 1 1 33 33 VAL HA H 1 3.910 0.05 . 1 . . . . . . . . 5513 1 371 . 1 1 33 33 VAL HB H 1 1.649 0.05 . 1 . . . . . . . . 5513 1 372 . 1 1 33 33 VAL HG11 H 1 0.553 0.05 . 2 . . . . . . . . 5513 1 373 . 1 1 33 33 VAL HG12 H 1 0.553 0.05 . 2 . . . . . . . . 5513 1 374 . 1 1 33 33 VAL HG13 H 1 0.553 0.05 . 2 . . . . . . . . 5513 1 375 . 1 1 33 33 VAL HG21 H 1 0.805 0.05 . 2 . . . . . . . . 5513 1 376 . 1 1 33 33 VAL HG22 H 1 0.805 0.05 . 2 . . . . . . . . 5513 1 377 . 1 1 33 33 VAL HG23 H 1 0.805 0.05 . 2 . . . . . . . . 5513 1 378 . 1 1 33 33 VAL C C 13 172.817 0.2 . 1 . . . . . . . . 5513 1 379 . 1 1 33 33 VAL CA C 13 59.789 0.2 . 1 . . . . . . . . 5513 1 380 . 1 1 33 33 VAL CB C 13 31.118 0.2 . 1 . . . . . . . . 5513 1 381 . 1 1 33 33 VAL CG1 C 13 20.248 0.2 . 2 . . . . . . . . 5513 1 382 . 1 1 33 33 VAL CG2 C 13 21.625 0.2 . 2 . . . . . . . . 5513 1 383 . 1 1 33 33 VAL N N 15 116.820 0.1 . 1 . . . . . . . . 5513 1 384 . 1 1 34 34 ASN H H 1 8.843 0.05 . 1 . . . . . . . . 5513 1 385 . 1 1 34 34 ASN HA H 1 4.635 0.05 . 1 . . . . . . . . 5513 1 386 . 1 1 34 34 ASN HB2 H 1 3.307 0.05 . 2 . . . . . . . . 5513 1 387 . 1 1 34 34 ASN HB3 H 1 2.879 0.05 . 2 . . . . . . . . 5513 1 388 . 1 1 34 34 ASN HD21 H 1 7.057 0.05 . 2 . . . . . . . . 5513 1 389 . 1 1 34 34 ASN HD22 H 1 7.928 0.05 . 2 . . . . . . . . 5513 1 390 . 1 1 34 34 ASN C C 13 172.518 0.2 . 1 . . . . . . . . 5513 1 391 . 1 1 34 34 ASN CA C 13 51.618 0.2 . 1 . . . . . . . . 5513 1 392 . 1 1 34 34 ASN CB C 13 35.422 0.2 . 1 . . . . . . . . 5513 1 393 . 1 1 34 34 ASN N N 15 123.542 0.1 . 1 . . . . . . . . 5513 1 394 . 1 1 34 34 ASN ND2 N 15 113.331 0.1 . 1 . . . . . . . . 5513 1 395 . 1 1 35 35 ILE H H 1 8.111 0.05 . 1 . . . . . . . . 5513 1 396 . 1 1 35 35 ILE HA H 1 3.352 0.05 . 1 . . . . . . . . 5513 1 397 . 1 1 35 35 ILE HB H 1 1.835 0.05 . 1 . . . . . . . . 5513 1 398 . 1 1 35 35 ILE HG12 H 1 1.792 0.05 . 2 . . . . . . . . 5513 1 399 . 1 1 35 35 ILE HG13 H 1 1.867 0.05 . 2 . . . . . . . . 5513 1 400 . 1 1 35 35 ILE HG21 H 1 0.860 0.05 . 1 . . . . . . . . 5513 1 401 . 1 1 35 35 ILE HG22 H 1 0.860 0.05 . 1 . . . . . . . . 5513 1 402 . 1 1 35 35 ILE HG23 H 1 0.860 0.05 . 1 . . . . . . . . 5513 1 403 . 1 1 35 35 ILE HD11 H 1 0.936 0.05 . 1 . . . . . . . . 5513 1 404 . 1 1 35 35 ILE HD12 H 1 0.936 0.05 . 1 . . . . . . . . 5513 1 405 . 1 1 35 35 ILE HD13 H 1 0.936 0.05 . 1 . . . . . . . . 5513 1 406 . 1 1 35 35 ILE C C 13 175.995 0.2 . 1 . . . . . . . . 5513 1 407 . 1 1 35 35 ILE CA C 13 63.109 0.2 . 1 . . . . . . . . 5513 1 408 . 1 1 35 35 ILE CB C 13 36.612 0.2 . 1 . . . . . . . . 5513 1 409 . 1 1 35 35 ILE CG1 C 13 26.849 0.2 . 1 . . . . . . . . 5513 1 410 . 1 1 35 35 ILE CG2 C 13 16.824 0.2 . 1 . . . . . . . . 5513 1 411 . 1 1 35 35 ILE CD1 C 13 12.173 0.2 . 1 . . . . . . . . 5513 1 412 . 1 1 35 35 ILE N N 15 129.166 0.1 . 1 . . . . . . . . 5513 1 413 . 1 1 36 36 MET H H 1 8.467 0.05 . 1 . . . . . . . . 5513 1 414 . 1 1 36 36 MET HA H 1 4.299 0.05 . 1 . . . . . . . . 5513 1 415 . 1 1 36 36 MET HB2 H 1 2.292 0.05 . 1 . . . . . . . . 5513 1 416 . 1 1 36 36 MET HB3 H 1 2.292 0.05 . 1 . . . . . . . . 5513 1 417 . 1 1 36 36 MET HG2 H 1 2.629 0.05 . 1 . . . . . . . . 5513 1 418 . 1 1 36 36 MET HG3 H 1 2.629 0.05 . 1 . . . . . . . . 5513 1 419 . 1 1 36 36 MET HE1 H 1 1.944 0.05 . 1 . . . . . . . . 5513 1 420 . 1 1 36 36 MET HE2 H 1 1.944 0.05 . 1 . . . . . . . . 5513 1 421 . 1 1 36 36 MET HE3 H 1 1.944 0.05 . 1 . . . . . . . . 5513 1 422 . 1 1 36 36 MET C C 13 177.082 0.2 . 1 . . . . . . . . 5513 1 423 . 1 1 36 36 MET CA C 13 56.112 0.2 . 1 . . . . . . . . 5513 1 424 . 1 1 36 36 MET CB C 13 28.749 0.2 . 1 . . . . . . . . 5513 1 425 . 1 1 36 36 MET CG C 13 30.849 0.2 . 1 . . . . . . . . 5513 1 426 . 1 1 36 36 MET CE C 13 14.693 0.2 . 1 . . . . . . . . 5513 1 427 . 1 1 36 36 MET N N 15 119.225 0.1 . 1 . . . . . . . . 5513 1 428 . 1 1 37 37 GLU H H 1 7.972 0.05 . 1 . . . . . . . . 5513 1 429 . 1 1 37 37 GLU HA H 1 4.130 0.05 . 1 . . . . . . . . 5513 1 430 . 1 1 37 37 GLU HB2 H 1 2.192 0.05 . 1 . . . . . . . . 5513 1 431 . 1 1 37 37 GLU HB3 H 1 2.192 0.05 . 1 . . . . . . . . 5513 1 432 . 1 1 37 37 GLU HG2 H 1 2.346 0.05 . 2 . . . . . . . . 5513 1 433 . 1 1 37 37 GLU HG3 H 1 2.488 0.05 . 2 . . . . . . . . 5513 1 434 . 1 1 37 37 GLU C C 13 177.055 0.2 . 1 . . . . . . . . 5513 1 435 . 1 1 37 37 GLU CA C 13 57.252 0.2 . 1 . . . . . . . . 5513 1 436 . 1 1 37 37 GLU CB C 13 27.391 0.2 . 1 . . . . . . . . 5513 1 437 . 1 1 37 37 GLU CG C 13 34.068 0.2 . 1 . . . . . . . . 5513 1 438 . 1 1 37 37 GLU N N 15 121.188 0.1 . 1 . . . . . . . . 5513 1 439 . 1 1 38 38 PHE H H 1 8.085 0.05 . 1 . . . . . . . . 5513 1 440 . 1 1 38 38 PHE HA H 1 4.061 0.05 . 1 . . . . . . . . 5513 1 441 . 1 1 38 38 PHE HB2 H 1 2.757 0.05 . 2 . . . . . . . . 5513 1 442 . 1 1 38 38 PHE HB3 H 1 2.246 0.05 . 2 . . . . . . . . 5513 1 443 . 1 1 38 38 PHE HD1 H 1 6.650 0.05 . 1 . . . . . . . . 5513 1 444 . 1 1 38 38 PHE HD2 H 1 6.650 0.05 . 1 . . . . . . . . 5513 1 445 . 1 1 38 38 PHE HE1 H 1 6.320 0.05 . 1 . . . . . . . . 5513 1 446 . 1 1 38 38 PHE HE2 H 1 6.320 0.05 . 1 . . . . . . . . 5513 1 447 . 1 1 38 38 PHE HZ H 1 6.126 0.05 . 1 . . . . . . . . 5513 1 448 . 1 1 38 38 PHE C C 13 173.861 0.2 . 1 . . . . . . . . 5513 1 449 . 1 1 38 38 PHE CA C 13 60.889 0.2 . 1 . . . . . . . . 5513 1 450 . 1 1 38 38 PHE CB C 13 35.618 0.2 . 1 . . . . . . . . 5513 1 451 . 1 1 38 38 PHE CD1 C 13 131.455 0.2 . 1 . . . . . . . . 5513 1 452 . 1 1 38 38 PHE CD2 C 13 131.455 0.2 . 1 . . . . . . . . 5513 1 453 . 1 1 38 38 PHE CE1 C 13 129.360 0.2 . 1 . . . . . . . . 5513 1 454 . 1 1 38 38 PHE CE2 C 13 129.360 0.2 . 1 . . . . . . . . 5513 1 455 . 1 1 38 38 PHE CZ C 13 128.085 0.2 . 1 . . . . . . . . 5513 1 456 . 1 1 38 38 PHE N N 15 118.645 0.1 . 1 . . . . . . . . 5513 1 457 . 1 1 39 39 CYS H H 1 8.361 0.05 . 1 . . . . . . . . 5513 1 458 . 1 1 39 39 CYS HA H 1 3.315 0.05 . 1 . . . . . . . . 5513 1 459 . 1 1 39 39 CYS HB2 H 1 3.040 0.05 . 2 . . . . . . . . 5513 1 460 . 1 1 39 39 CYS HB3 H 1 2.528 0.05 . 2 . . . . . . . . 5513 1 461 . 1 1 39 39 CYS C C 13 173.645 0.2 . 1 . . . . . . . . 5513 1 462 . 1 1 39 39 CYS CA C 13 62.989 0.2 . 1 . . . . . . . . 5513 1 463 . 1 1 39 39 CYS CB C 13 24.695 0.2 . 1 . . . . . . . . 5513 1 464 . 1 1 39 39 CYS N N 15 116.564 0.1 . 1 . . . . . . . . 5513 1 465 . 1 1 40 40 LYS H H 1 8.152 0.05 . 1 . . . . . . . . 5513 1 466 . 1 1 40 40 LYS HA H 1 3.969 0.05 . 1 . . . . . . . . 5513 1 467 . 1 1 40 40 LYS HB2 H 1 1.970 0.05 . 1 . . . . . . . . 5513 1 468 . 1 1 40 40 LYS HB3 H 1 1.970 0.05 . 1 . . . . . . . . 5513 1 469 . 1 1 40 40 LYS HG2 H 1 1.403 0.05 . 1 . . . . . . . . 5513 1 470 . 1 1 40 40 LYS HG3 H 1 1.403 0.05 . 1 . . . . . . . . 5513 1 471 . 1 1 40 40 LYS HD2 H 1 1.685 0.05 . 1 . . . . . . . . 5513 1 472 . 1 1 40 40 LYS HD3 H 1 1.685 0.05 . 1 . . . . . . . . 5513 1 473 . 1 1 40 40 LYS HE2 H 1 2.956 0.05 . 1 . . . . . . . . 5513 1 474 . 1 1 40 40 LYS HE3 H 1 2.956 0.05 . 1 . . . . . . . . 5513 1 475 . 1 1 40 40 LYS C C 13 177.960 0.2 . 1 . . . . . . . . 5513 1 476 . 1 1 40 40 LYS CA C 13 57.900 0.2 . 1 . . . . . . . . 5513 1 477 . 1 1 40 40 LYS CB C 13 30.751 0.2 . 1 . . . . . . . . 5513 1 478 . 1 1 40 40 LYS CG C 13 22.973 0.2 . 1 . . . . . . . . 5513 1 479 . 1 1 40 40 LYS CD C 13 27.276 0.2 . 1 . . . . . . . . 5513 1 480 . 1 1 40 40 LYS CE C 13 39.986 0.2 . 1 . . . . . . . . 5513 1 481 . 1 1 40 40 LYS N N 15 118.044 0.1 . 1 . . . . . . . . 5513 1 482 . 1 1 41 41 ARG H H 1 8.115 0.05 . 1 . . . . . . . . 5513 1 483 . 1 1 41 41 ARG HA H 1 4.229 0.05 . 1 . . . . . . . . 5513 1 484 . 1 1 41 41 ARG HB2 H 1 2.110 0.05 . 2 . . . . . . . . 5513 1 485 . 1 1 41 41 ARG HB3 H 1 2.336 0.05 . 2 . . . . . . . . 5513 1 486 . 1 1 41 41 ARG HG2 H 1 1.942 0.05 . 2 . . . . . . . . 5513 1 487 . 1 1 41 41 ARG HG3 H 1 2.146 0.05 . 2 . . . . . . . . 5513 1 488 . 1 1 41 41 ARG HD2 H 1 3.335 0.05 . 2 . . . . . . . . 5513 1 489 . 1 1 41 41 ARG HD3 H 1 3.380 0.05 . 2 . . . . . . . . 5513 1 490 . 1 1 41 41 ARG C C 13 176.715 0.2 . 1 . . . . . . . . 5513 1 491 . 1 1 41 41 ARG CA C 13 57.536 0.2 . 1 . . . . . . . . 5513 1 492 . 1 1 41 41 ARG CB C 13 29.233 0.2 . 1 . . . . . . . . 5513 1 493 . 1 1 41 41 ARG CG C 13 25.450 0.2 . 1 . . . . . . . . 5513 1 494 . 1 1 41 41 ARG CD C 13 42.439 0.2 . 1 . . . . . . . . 5513 1 495 . 1 1 41 41 ARG N N 15 119.008 0.1 . 1 . . . . . . . . 5513 1 496 . 1 1 42 42 PHE H H 1 8.847 0.05 . 1 . . . . . . . . 5513 1 497 . 1 1 42 42 PHE HA H 1 3.678 0.05 . 1 . . . . . . . . 5513 1 498 . 1 1 42 42 PHE HB2 H 1 2.010 0.05 . 2 . . . . . . . . 5513 1 499 . 1 1 42 42 PHE HB3 H 1 1.492 0.05 . 2 . . . . . . . . 5513 1 500 . 1 1 42 42 PHE HD1 H 1 7.228 0.05 . 1 . . . . . . . . 5513 1 501 . 1 1 42 42 PHE HD2 H 1 7.228 0.05 . 1 . . . . . . . . 5513 1 502 . 1 1 42 42 PHE HE1 H 1 7.444 0.05 . 1 . . . . . . . . 5513 1 503 . 1 1 42 42 PHE HE2 H 1 7.444 0.05 . 1 . . . . . . . . 5513 1 504 . 1 1 42 42 PHE HZ H 1 7.441 0.05 . 1 . . . . . . . . 5513 1 505 . 1 1 42 42 PHE C C 13 177.218 0.2 . 1 . . . . . . . . 5513 1 506 . 1 1 42 42 PHE CA C 13 60.215 0.2 . 1 . . . . . . . . 5513 1 507 . 1 1 42 42 PHE CB C 13 36.646 0.2 . 1 . . . . . . . . 5513 1 508 . 1 1 42 42 PHE CD1 C 13 131.547 0.2 . 1 . . . . . . . . 5513 1 509 . 1 1 42 42 PHE CD2 C 13 131.547 0.2 . 1 . . . . . . . . 5513 1 510 . 1 1 42 42 PHE CE1 C 13 131.364 0.2 . 1 . . . . . . . . 5513 1 511 . 1 1 42 42 PHE CE2 C 13 131.364 0.2 . 1 . . . . . . . . 5513 1 512 . 1 1 42 42 PHE CZ C 13 130.180 0.2 . 1 . . . . . . . . 5513 1 513 . 1 1 42 42 PHE N N 15 119.887 0.1 . 1 . . . . . . . . 5513 1 514 . 1 1 43 43 ASN H H 1 8.896 0.05 . 1 . . . . . . . . 5513 1 515 . 1 1 43 43 ASN HA H 1 4.145 0.05 . 1 . . . . . . . . 5513 1 516 . 1 1 43 43 ASN HB2 H 1 2.884 0.05 . 2 . . . . . . . . 5513 1 517 . 1 1 43 43 ASN HB3 H 1 2.661 0.05 . 2 . . . . . . . . 5513 1 518 . 1 1 43 43 ASN HD21 H 1 7.444 0.05 . 2 . . . . . . . . 5513 1 519 . 1 1 43 43 ASN HD22 H 1 7.071 0.05 . 2 . . . . . . . . 5513 1 520 . 1 1 43 43 ASN C C 13 175.312 0.2 . 1 . . . . . . . . 5513 1 521 . 1 1 43 43 ASN CA C 13 54.088 0.2 . 1 . . . . . . . . 5513 1 522 . 1 1 43 43 ASN CB C 13 34.266 0.2 . 1 . . . . . . . . 5513 1 523 . 1 1 43 43 ASN N N 15 121.017 0.1 . 1 . . . . . . . . 5513 1 524 . 1 1 43 43 ASN ND2 N 15 106.610 0.1 . 1 . . . . . . . . 5513 1 525 . 1 1 44 44 ALA H H 1 7.736 0.05 . 1 . . . . . . . . 5513 1 526 . 1 1 44 44 ALA HA H 1 4.243 0.05 . 1 . . . . . . . . 5513 1 527 . 1 1 44 44 ALA HB1 H 1 1.583 0.05 . 1 . . . . . . . . 5513 1 528 . 1 1 44 44 ALA HB2 H 1 1.583 0.05 . 1 . . . . . . . . 5513 1 529 . 1 1 44 44 ALA HB3 H 1 1.583 0.05 . 1 . . . . . . . . 5513 1 530 . 1 1 44 44 ALA C C 13 178.596 0.2 . 1 . . . . . . . . 5513 1 531 . 1 1 44 44 ALA CA C 13 52.936 0.2 . 1 . . . . . . . . 5513 1 532 . 1 1 44 44 ALA CB C 13 16.363 0.2 . 1 . . . . . . . . 5513 1 533 . 1 1 44 44 ALA N N 15 121.049 0.1 . 1 . . . . . . . . 5513 1 534 . 1 1 45 45 GLU H H 1 7.722 0.05 . 1 . . . . . . . . 5513 1 535 . 1 1 45 45 GLU HA H 1 4.260 0.05 . 1 . . . . . . . . 5513 1 536 . 1 1 45 45 GLU HB2 H 1 2.182 0.05 . 1 . . . . . . . . 5513 1 537 . 1 1 45 45 GLU HB3 H 1 2.182 0.05 . 1 . . . . . . . . 5513 1 538 . 1 1 45 45 GLU HG2 H 1 2.382 0.05 . 2 . . . . . . . . 5513 1 539 . 1 1 45 45 GLU HG3 H 1 2.575 0.05 . 2 . . . . . . . . 5513 1 540 . 1 1 45 45 GLU C C 13 175.944 0.2 . 1 . . . . . . . . 5513 1 541 . 1 1 45 45 GLU CA C 13 56.310 0.2 . 1 . . . . . . . . 5513 1 542 . 1 1 45 45 GLU CB C 13 27.937 0.2 . 1 . . . . . . . . 5513 1 543 . 1 1 45 45 GLU CG C 13 34.562 0.2 . 1 . . . . . . . . 5513 1 544 . 1 1 45 45 GLU N N 15 115.302 0.1 . 1 . . . . . . . . 5513 1 545 . 1 1 46 46 THR H H 1 7.367 0.05 . 1 . . . . . . . . 5513 1 546 . 1 1 46 46 THR HA H 1 4.371 0.05 . 1 . . . . . . . . 5513 1 547 . 1 1 46 46 THR HB H 1 4.123 0.05 . 1 . . . . . . . . 5513 1 548 . 1 1 46 46 THR HG21 H 1 0.607 0.05 . 1 . . . . . . . . 5513 1 549 . 1 1 46 46 THR HG22 H 1 0.607 0.05 . 1 . . . . . . . . 5513 1 550 . 1 1 46 46 THR HG23 H 1 0.607 0.05 . 1 . . . . . . . . 5513 1 551 . 1 1 46 46 THR C C 13 173.108 0.2 . 1 . . . . . . . . 5513 1 552 . 1 1 46 46 THR CA C 13 59.401 0.2 . 1 . . . . . . . . 5513 1 553 . 1 1 46 46 THR CB C 13 67.835 0.2 . 1 . . . . . . . . 5513 1 554 . 1 1 46 46 THR CG2 C 13 19.337 0.2 . 1 . . . . . . . . 5513 1 555 . 1 1 46 46 THR N N 15 104.236 0.1 . 1 . . . . . . . . 5513 1 556 . 1 1 47 47 ALA H H 1 7.232 0.05 . 1 . . . . . . . . 5513 1 557 . 1 1 47 47 ALA HA H 1 3.864 0.05 . 1 . . . . . . . . 5513 1 558 . 1 1 47 47 ALA HB1 H 1 1.580 0.05 . 1 . . . . . . . . 5513 1 559 . 1 1 47 47 ALA HB2 H 1 1.580 0.05 . 1 . . . . . . . . 5513 1 560 . 1 1 47 47 ALA HB3 H 1 1.580 0.05 . 1 . . . . . . . . 5513 1 561 . 1 1 47 47 ALA C C 13 176.788 0.2 . 1 . . . . . . . . 5513 1 562 . 1 1 47 47 ALA CA C 13 53.848 0.2 . 1 . . . . . . . . 5513 1 563 . 1 1 47 47 ALA CB C 13 16.539 0.2 . 1 . . . . . . . . 5513 1 564 . 1 1 47 47 ALA N N 15 125.622 0.1 . 1 . . . . . . . . 5513 1 565 . 1 1 48 48 ASP H H 1 8.568 0.05 . 1 . . . . . . . . 5513 1 566 . 1 1 48 48 ASP HA H 1 4.497 0.05 . 1 . . . . . . . . 5513 1 567 . 1 1 48 48 ASP HB2 H 1 2.823 0.05 . 2 . . . . . . . . 5513 1 568 . 1 1 48 48 ASP HB3 H 1 2.671 0.05 . 2 . . . . . . . . 5513 1 569 . 1 1 48 48 ASP C C 13 174.666 0.2 . 1 . . . . . . . . 5513 1 570 . 1 1 48 48 ASP CA C 13 52.947 0.2 . 1 . . . . . . . . 5513 1 571 . 1 1 48 48 ASP CB C 13 37.465 0.2 . 1 . . . . . . . . 5513 1 572 . 1 1 48 48 ASP N N 15 114.158 0.1 . 1 . . . . . . . . 5513 1 573 . 1 1 49 49 LYS H H 1 7.752 0.05 . 1 . . . . . . . . 5513 1 574 . 1 1 49 49 LYS HA H 1 4.475 0.05 . 1 . . . . . . . . 5513 1 575 . 1 1 49 49 LYS HB2 H 1 2.249 0.05 . 2 . . . . . . . . 5513 1 576 . 1 1 49 49 LYS HB3 H 1 1.470 0.05 . 2 . . . . . . . . 5513 1 577 . 1 1 49 49 LYS HG2 H 1 1.317 0.05 . 1 . . . . . . . . 5513 1 578 . 1 1 49 49 LYS HG3 H 1 1.317 0.05 . 1 . . . . . . . . 5513 1 579 . 1 1 49 49 LYS HD2 H 1 1.708 0.05 . 1 . . . . . . . . 5513 1 580 . 1 1 49 49 LYS HD3 H 1 1.708 0.05 . 1 . . . . . . . . 5513 1 581 . 1 1 49 49 LYS HE2 H 1 2.943 0.05 . 1 . . . . . . . . 5513 1 582 . 1 1 49 49 LYS HE3 H 1 2.943 0.05 . 1 . . . . . . . . 5513 1 583 . 1 1 49 49 LYS C C 13 171.997 0.2 . 1 . . . . . . . . 5513 1 584 . 1 1 49 49 LYS CA C 13 53.068 0.2 . 1 . . . . . . . . 5513 1 585 . 1 1 49 49 LYS CB C 13 30.269 0.2 . 1 . . . . . . . . 5513 1 586 . 1 1 49 49 LYS CG C 13 23.273 0.2 . 1 . . . . . . . . 5513 1 587 . 1 1 49 49 LYS CD C 13 27.626 0.2 . 1 . . . . . . . . 5513 1 588 . 1 1 49 49 LYS CE C 13 39.902 0.2 . 1 . . . . . . . . 5513 1 589 . 1 1 49 49 LYS N N 15 120.705 0.1 . 1 . . . . . . . . 5513 1 590 . 1 1 50 50 ALA H H 1 7.018 0.05 . 1 . . . . . . . . 5513 1 591 . 1 1 50 50 ALA HA H 1 3.935 0.05 . 1 . . . . . . . . 5513 1 592 . 1 1 50 50 ALA HB1 H 1 1.419 0.05 . 1 . . . . . . . . 5513 1 593 . 1 1 50 50 ALA HB2 H 1 1.419 0.05 . 1 . . . . . . . . 5513 1 594 . 1 1 50 50 ALA HB3 H 1 1.419 0.05 . 1 . . . . . . . . 5513 1 595 . 1 1 50 50 ALA C C 13 175.816 0.2 . 1 . . . . . . . . 5513 1 596 . 1 1 50 50 ALA CA C 13 52.389 0.2 . 1 . . . . . . . . 5513 1 597 . 1 1 50 50 ALA CB C 13 16.798 0.2 . 1 . . . . . . . . 5513 1 598 . 1 1 50 50 ALA N N 15 119.838 0.1 . 1 . . . . . . . . 5513 1 599 . 1 1 51 51 GLY H H 1 9.124 0.05 . 1 . . . . . . . . 5513 1 600 . 1 1 51 51 GLY HA2 H 1 4.495 0.05 . 2 . . . . . . . . 5513 1 601 . 1 1 51 51 GLY HA3 H 1 3.637 0.05 . 2 . . . . . . . . 5513 1 602 . 1 1 51 51 GLY C C 13 172.636 0.2 . 1 . . . . . . . . 5513 1 603 . 1 1 51 51 GLY CA C 13 42.906 0.2 . 1 . . . . . . . . 5513 1 604 . 1 1 51 51 GLY N N 15 111.619 0.1 . 1 . . . . . . . . 5513 1 605 . 1 1 52 52 MET H H 1 8.032 0.05 . 1 . . . . . . . . 5513 1 606 . 1 1 52 52 MET HA H 1 4.634 0.05 . 1 . . . . . . . . 5513 1 607 . 1 1 52 52 MET HB2 H 1 2.149 0.05 . 2 . . . . . . . . 5513 1 608 . 1 1 52 52 MET HB3 H 1 1.858 0.05 . 2 . . . . . . . . 5513 1 609 . 1 1 52 52 MET HG2 H 1 2.580 0.05 . 1 . . . . . . . . 5513 1 610 . 1 1 52 52 MET HG3 H 1 2.580 0.05 . 1 . . . . . . . . 5513 1 611 . 1 1 52 52 MET HE1 H 1 2.109 0.05 . 1 . . . . . . . . 5513 1 612 . 1 1 52 52 MET HE2 H 1 2.109 0.05 . 1 . . . . . . . . 5513 1 613 . 1 1 52 52 MET HE3 H 1 2.109 0.05 . 1 . . . . . . . . 5513 1 614 . 1 1 52 52 MET C C 13 173.313 0.2 . 1 . . . . . . . . 5513 1 615 . 1 1 52 52 MET CA C 13 53.394 0.2 . 1 . . . . . . . . 5513 1 616 . 1 1 52 52 MET CB C 13 33.019 0.2 . 1 . . . . . . . . 5513 1 617 . 1 1 52 52 MET CG C 13 30.464 0.2 . 1 . . . . . . . . 5513 1 618 . 1 1 52 52 MET CE C 13 15.566 0.2 . 1 . . . . . . . . 5513 1 619 . 1 1 52 52 MET N N 15 118.594 0.1 . 1 . . . . . . . . 5513 1 620 . 1 1 53 53 ILE H H 1 7.998 0.05 . 1 . . . . . . . . 5513 1 621 . 1 1 53 53 ILE HA H 1 4.317 0.05 . 1 . . . . . . . . 5513 1 622 . 1 1 53 53 ILE HB H 1 1.660 0.05 . 1 . . . . . . . . 5513 1 623 . 1 1 53 53 ILE HG12 H 1 1.114 0.05 . 2 . . . . . . . . 5513 1 624 . 1 1 53 53 ILE HG13 H 1 1.445 0.05 . 2 . . . . . . . . 5513 1 625 . 1 1 53 53 ILE HG21 H 1 0.619 0.05 . 1 . . . . . . . . 5513 1 626 . 1 1 53 53 ILE HG22 H 1 0.619 0.05 . 1 . . . . . . . . 5513 1 627 . 1 1 53 53 ILE HG23 H 1 0.619 0.05 . 1 . . . . . . . . 5513 1 628 . 1 1 53 53 ILE HD11 H 1 0.743 0.05 . 1 . . . . . . . . 5513 1 629 . 1 1 53 53 ILE HD12 H 1 0.743 0.05 . 1 . . . . . . . . 5513 1 630 . 1 1 53 53 ILE HD13 H 1 0.743 0.05 . 1 . . . . . . . . 5513 1 631 . 1 1 53 53 ILE C C 13 173.429 0.2 . 1 . . . . . . . . 5513 1 632 . 1 1 53 53 ILE CA C 13 58.330 0.2 . 1 . . . . . . . . 5513 1 633 . 1 1 53 53 ILE CB C 13 35.078 0.2 . 1 . . . . . . . . 5513 1 634 . 1 1 53 53 ILE CG1 C 13 25.306 0.2 . 1 . . . . . . . . 5513 1 635 . 1 1 53 53 ILE CG2 C 13 15.915 0.2 . 1 . . . . . . . . 5513 1 636 . 1 1 53 53 ILE CD1 C 13 9.310 0.2 . 1 . . . . . . . . 5513 1 637 . 1 1 53 53 ILE N N 15 123.939 0.1 . 1 . . . . . . . . 5513 1 638 . 1 1 54 54 LEU H H 1 9.199 0.05 . 1 . . . . . . . . 5513 1 639 . 1 1 54 54 LEU HA H 1 5.097 0.05 . 1 . . . . . . . . 5513 1 640 . 1 1 54 54 LEU HB2 H 1 1.932 0.05 . 2 . . . . . . . . 5513 1 641 . 1 1 54 54 LEU HB3 H 1 1.540 0.05 . 2 . . . . . . . . 5513 1 642 . 1 1 54 54 LEU HG H 1 0.983 0.05 . 1 . . . . . . . . 5513 1 643 . 1 1 54 54 LEU HD11 H 1 0.798 0.05 . 2 . . . . . . . . 5513 1 644 . 1 1 54 54 LEU HD12 H 1 0.798 0.05 . 2 . . . . . . . . 5513 1 645 . 1 1 54 54 LEU HD13 H 1 0.798 0.05 . 2 . . . . . . . . 5513 1 646 . 1 1 54 54 LEU HD21 H 1 0.715 0.05 . 2 . . . . . . . . 5513 1 647 . 1 1 54 54 LEU HD22 H 1 0.715 0.05 . 2 . . . . . . . . 5513 1 648 . 1 1 54 54 LEU HD23 H 1 0.715 0.05 . 2 . . . . . . . . 5513 1 649 . 1 1 54 54 LEU C C 13 173.448 0.2 . 1 . . . . . . . . 5513 1 650 . 1 1 54 54 LEU CA C 13 49.089 0.2 . 1 . . . . . . . . 5513 1 651 . 1 1 54 54 LEU CB C 13 42.130 0.2 . 1 . . . . . . . . 5513 1 652 . 1 1 54 54 LEU CG C 13 24.750 0.2 . 1 . . . . . . . . 5513 1 653 . 1 1 54 54 LEU CD1 C 13 23.977 0.2 . 2 . . . . . . . . 5513 1 654 . 1 1 54 54 LEU CD2 C 13 22.419 0.2 . 2 . . . . . . . . 5513 1 655 . 1 1 54 54 LEU N N 15 127.936 0.1 . 1 . . . . . . . . 5513 1 656 . 1 1 55 55 PRO HA H 1 5.024 0.05 . 1 . . . . . . . . 5513 1 657 . 1 1 55 55 PRO HB2 H 1 1.921 0.05 . 2 . . . . . . . . 5513 1 658 . 1 1 55 55 PRO HB3 H 1 2.353 0.05 . 2 . . . . . . . . 5513 1 659 . 1 1 55 55 PRO HG2 H 1 2.200 0.05 . 1 . . . . . . . . 5513 1 660 . 1 1 55 55 PRO HG3 H 1 2.200 0.05 . 1 . . . . . . . . 5513 1 661 . 1 1 55 55 PRO HD2 H 1 3.837 0.05 . 1 . . . . . . . . 5513 1 662 . 1 1 55 55 PRO HD3 H 1 3.837 0.05 . 1 . . . . . . . . 5513 1 663 . 1 1 55 55 PRO C C 13 173.736 0.2 . 1 . . . . . . . . 5513 1 664 . 1 1 55 55 PRO CA C 13 59.865 0.2 . 1 . . . . . . . . 5513 1 665 . 1 1 55 55 PRO CB C 13 29.266 0.2 . 1 . . . . . . . . 5513 1 666 . 1 1 55 55 PRO CG C 13 25.816 0.2 . 1 . . . . . . . . 5513 1 667 . 1 1 55 55 PRO CD C 13 48.726 0.2 . 1 . . . . . . . . 5513 1 668 . 1 1 56 56 VAL H H 1 9.137 0.05 . 1 . . . . . . . . 5513 1 669 . 1 1 56 56 VAL HA H 1 5.262 0.05 . 1 . . . . . . . . 5513 1 670 . 1 1 56 56 VAL HB H 1 2.003 0.05 . 1 . . . . . . . . 5513 1 671 . 1 1 56 56 VAL HG11 H 1 0.961 0.05 . 2 . . . . . . . . 5513 1 672 . 1 1 56 56 VAL HG12 H 1 0.961 0.05 . 2 . . . . . . . . 5513 1 673 . 1 1 56 56 VAL HG13 H 1 0.961 0.05 . 2 . . . . . . . . 5513 1 674 . 1 1 56 56 VAL HG21 H 1 1.058 0.05 . 2 . . . . . . . . 5513 1 675 . 1 1 56 56 VAL HG22 H 1 1.058 0.05 . 2 . . . . . . . . 5513 1 676 . 1 1 56 56 VAL HG23 H 1 1.058 0.05 . 2 . . . . . . . . 5513 1 677 . 1 1 56 56 VAL C C 13 172.717 0.2 . 1 . . . . . . . . 5513 1 678 . 1 1 56 56 VAL CA C 13 57.522 0.2 . 1 . . . . . . . . 5513 1 679 . 1 1 56 56 VAL CB C 13 33.520 0.2 . 1 . . . . . . . . 5513 1 680 . 1 1 56 56 VAL CG1 C 13 18.715 0.2 . 2 . . . . . . . . 5513 1 681 . 1 1 56 56 VAL CG2 C 13 21.092 0.2 . 2 . . . . . . . . 5513 1 682 . 1 1 56 56 VAL N N 15 122.793 0.1 . 1 . . . . . . . . 5513 1 683 . 1 1 57 57 VAL H H 1 8.732 0.05 . 1 . . . . . . . . 5513 1 684 . 1 1 57 57 VAL HA H 1 4.883 0.05 . 1 . . . . . . . . 5513 1 685 . 1 1 57 57 VAL HB H 1 2.052 0.05 . 1 . . . . . . . . 5513 1 686 . 1 1 57 57 VAL HG11 H 1 0.782 0.05 . 2 . . . . . . . . 5513 1 687 . 1 1 57 57 VAL HG12 H 1 0.782 0.05 . 2 . . . . . . . . 5513 1 688 . 1 1 57 57 VAL HG13 H 1 0.782 0.05 . 2 . . . . . . . . 5513 1 689 . 1 1 57 57 VAL HG21 H 1 0.925 0.05 . 2 . . . . . . . . 5513 1 690 . 1 1 57 57 VAL HG22 H 1 0.925 0.05 . 2 . . . . . . . . 5513 1 691 . 1 1 57 57 VAL HG23 H 1 0.925 0.05 . 2 . . . . . . . . 5513 1 692 . 1 1 57 57 VAL C C 13 174.845 0.2 . 1 . . . . . . . . 5513 1 693 . 1 1 57 57 VAL CA C 13 59.876 0.2 . 1 . . . . . . . . 5513 1 694 . 1 1 57 57 VAL CB C 13 31.058 0.2 . 1 . . . . . . . . 5513 1 695 . 1 1 57 57 VAL CG1 C 13 18.910 0.2 . 2 . . . . . . . . 5513 1 696 . 1 1 57 57 VAL CG2 C 13 18.792 0.2 . 2 . . . . . . . . 5513 1 697 . 1 1 57 57 VAL N N 15 125.863 0.1 . 1 . . . . . . . . 5513 1 698 . 1 1 58 58 ILE H H 1 9.979 0.05 . 1 . . . . . . . . 5513 1 699 . 1 1 58 58 ILE HA H 1 4.766 0.05 . 1 . . . . . . . . 5513 1 700 . 1 1 58 58 ILE HB H 1 1.675 0.05 . 1 . . . . . . . . 5513 1 701 . 1 1 58 58 ILE HG12 H 1 0.720 0.05 . 2 . . . . . . . . 5513 1 702 . 1 1 58 58 ILE HG13 H 1 1.451 0.05 . 2 . . . . . . . . 5513 1 703 . 1 1 58 58 ILE HG21 H 1 0.743 0.05 . 1 . . . . . . . . 5513 1 704 . 1 1 58 58 ILE HG22 H 1 0.743 0.05 . 1 . . . . . . . . 5513 1 705 . 1 1 58 58 ILE HG23 H 1 0.743 0.05 . 1 . . . . . . . . 5513 1 706 . 1 1 58 58 ILE HD11 H 1 0.158 0.05 . 1 . . . . . . . . 5513 1 707 . 1 1 58 58 ILE HD12 H 1 0.158 0.05 . 1 . . . . . . . . 5513 1 708 . 1 1 58 58 ILE HD13 H 1 0.158 0.05 . 1 . . . . . . . . 5513 1 709 . 1 1 58 58 ILE C C 13 173.091 0.2 . 1 . . . . . . . . 5513 1 710 . 1 1 58 58 ILE CA C 13 58.958 0.2 . 1 . . . . . . . . 5513 1 711 . 1 1 58 58 ILE CB C 13 38.542 0.2 . 1 . . . . . . . . 5513 1 712 . 1 1 58 58 ILE CG1 C 13 27.092 0.2 . 1 . . . . . . . . 5513 1 713 . 1 1 58 58 ILE CG2 C 13 16.293 0.2 . 1 . . . . . . . . 5513 1 714 . 1 1 58 58 ILE CD1 C 13 14.048 0.2 . 1 . . . . . . . . 5513 1 715 . 1 1 58 58 ILE N N 15 132.458 0.1 . 1 . . . . . . . . 5513 1 716 . 1 1 59 59 THR H H 1 9.461 0.05 . 1 . . . . . . . . 5513 1 717 . 1 1 59 59 THR HA H 1 4.527 0.05 . 1 . . . . . . . . 5513 1 718 . 1 1 59 59 THR HB H 1 3.918 0.05 . 1 . . . . . . . . 5513 1 719 . 1 1 59 59 THR HG21 H 1 0.688 0.05 . 1 . . . . . . . . 5513 1 720 . 1 1 59 59 THR HG22 H 1 0.688 0.05 . 1 . . . . . . . . 5513 1 721 . 1 1 59 59 THR HG23 H 1 0.688 0.05 . 1 . . . . . . . . 5513 1 722 . 1 1 59 59 THR C C 13 169.848 0.2 . 1 . . . . . . . . 5513 1 723 . 1 1 59 59 THR CA C 13 61.176 0.2 . 1 . . . . . . . . 5513 1 724 . 1 1 59 59 THR CB C 13 67.865 0.2 . 1 . . . . . . . . 5513 1 725 . 1 1 59 59 THR CG2 C 13 20.392 0.2 . 1 . . . . . . . . 5513 1 726 . 1 1 59 59 THR N N 15 125.933 0.1 . 1 . . . . . . . . 5513 1 727 . 1 1 60 60 VAL H H 1 8.731 0.05 . 1 . . . . . . . . 5513 1 728 . 1 1 60 60 VAL HA H 1 4.540 0.05 . 1 . . . . . . . . 5513 1 729 . 1 1 60 60 VAL HB H 1 1.696 0.05 . 1 . . . . . . . . 5513 1 730 . 1 1 60 60 VAL HG11 H 1 0.610 0.05 . 2 . . . . . . . . 5513 1 731 . 1 1 60 60 VAL HG12 H 1 0.610 0.05 . 2 . . . . . . . . 5513 1 732 . 1 1 60 60 VAL HG13 H 1 0.610 0.05 . 2 . . . . . . . . 5513 1 733 . 1 1 60 60 VAL HG21 H 1 1.061 0.05 . 2 . . . . . . . . 5513 1 734 . 1 1 60 60 VAL HG22 H 1 1.061 0.05 . 2 . . . . . . . . 5513 1 735 . 1 1 60 60 VAL HG23 H 1 1.061 0.05 . 2 . . . . . . . . 5513 1 736 . 1 1 60 60 VAL C C 13 173.809 0.2 . 1 . . . . . . . . 5513 1 737 . 1 1 60 60 VAL CA C 13 58.573 0.2 . 1 . . . . . . . . 5513 1 738 . 1 1 60 60 VAL CB C 13 31.331 0.2 . 1 . . . . . . . . 5513 1 739 . 1 1 60 60 VAL CG1 C 13 19.792 0.2 . 2 . . . . . . . . 5513 1 740 . 1 1 60 60 VAL CG2 C 13 19.270 0.2 . 2 . . . . . . . . 5513 1 741 . 1 1 60 60 VAL N N 15 125.455 0.1 . 1 . . . . . . . . 5513 1 742 . 1 1 61 61 TYR H H 1 8.927 0.05 . 1 . . . . . . . . 5513 1 743 . 1 1 61 61 TYR HA H 1 5.158 0.05 . 1 . . . . . . . . 5513 1 744 . 1 1 61 61 TYR HB2 H 1 3.182 0.05 . 2 . . . . . . . . 5513 1 745 . 1 1 61 61 TYR HB3 H 1 3.049 0.05 . 2 . . . . . . . . 5513 1 746 . 1 1 61 61 TYR HD1 H 1 6.978 0.05 . 1 . . . . . . . . 5513 1 747 . 1 1 61 61 TYR HD2 H 1 6.978 0.05 . 1 . . . . . . . . 5513 1 748 . 1 1 61 61 TYR HE1 H 1 6.723 0.05 . 1 . . . . . . . . 5513 1 749 . 1 1 61 61 TYR HE2 H 1 6.723 0.05 . 1 . . . . . . . . 5513 1 750 . 1 1 61 61 TYR C C 13 176.219 0.2 . 1 . . . . . . . . 5513 1 751 . 1 1 61 61 TYR CA C 13 56.519 0.2 . 1 . . . . . . . . 5513 1 752 . 1 1 61 61 TYR CB C 13 37.720 0.2 . 1 . . . . . . . . 5513 1 753 . 1 1 61 61 TYR CD1 C 13 133.186 0.2 . 1 . . . . . . . . 5513 1 754 . 1 1 61 61 TYR CD2 C 13 133.186 0.2 . 1 . . . . . . . . 5513 1 755 . 1 1 61 61 TYR CE1 C 13 117.699 0.2 . 1 . . . . . . . . 5513 1 756 . 1 1 61 61 TYR CE2 C 13 117.699 0.2 . 1 . . . . . . . . 5513 1 757 . 1 1 61 61 TYR N N 15 126.461 0.1 . 1 . . . . . . . . 5513 1 758 . 1 1 62 62 GLU H H 1 8.853 0.05 . 1 . . . . . . . . 5513 1 759 . 1 1 62 62 GLU HA H 1 4.126 0.05 . 1 . . . . . . . . 5513 1 760 . 1 1 62 62 GLU HB2 H 1 2.136 0.05 . 1 . . . . . . . . 5513 1 761 . 1 1 62 62 GLU HB3 H 1 2.136 0.05 . 1 . . . . . . . . 5513 1 762 . 1 1 62 62 GLU HG2 H 1 2.365 0.05 . 1 . . . . . . . . 5513 1 763 . 1 1 62 62 GLU HG3 H 1 2.365 0.05 . 1 . . . . . . . . 5513 1 764 . 1 1 62 62 GLU C C 13 173.604 0.2 . 1 . . . . . . . . 5513 1 765 . 1 1 62 62 GLU CA C 13 57.490 0.2 . 1 . . . . . . . . 5513 1 766 . 1 1 62 62 GLU CB C 13 27.679 0.2 . 1 . . . . . . . . 5513 1 767 . 1 1 62 62 GLU CG C 13 34.415 0.2 . 1 . . . . . . . . 5513 1 768 . 1 1 62 62 GLU N N 15 120.069 0.1 . 1 . . . . . . . . 5513 1 769 . 1 1 63 63 ASP H H 1 7.820 0.05 . 1 . . . . . . . . 5513 1 770 . 1 1 63 63 ASP HA H 1 4.689 0.05 . 1 . . . . . . . . 5513 1 771 . 1 1 63 63 ASP HB2 H 1 3.177 0.05 . 2 . . . . . . . . 5513 1 772 . 1 1 63 63 ASP HB3 H 1 2.684 0.05 . 2 . . . . . . . . 5513 1 773 . 1 1 63 63 ASP C C 13 174.718 0.2 . 1 . . . . . . . . 5513 1 774 . 1 1 63 63 ASP CA C 13 51.460 0.2 . 1 . . . . . . . . 5513 1 775 . 1 1 63 63 ASP CB C 13 37.752 0.2 . 1 . . . . . . . . 5513 1 776 . 1 1 63 63 ASP N N 15 116.652 0.1 . 1 . . . . . . . . 5513 1 777 . 1 1 64 64 LYS H H 1 8.423 0.05 . 1 . . . . . . . . 5513 1 778 . 1 1 64 64 LYS HA H 1 3.811 0.05 . 1 . . . . . . . . 5513 1 779 . 1 1 64 64 LYS HB2 H 1 2.451 0.05 . 2 . . . . . . . . 5513 1 780 . 1 1 64 64 LYS HB3 H 1 2.176 0.05 . 2 . . . . . . . . 5513 1 781 . 1 1 64 64 LYS HG2 H 1 1.516 0.05 . 1 . . . . . . . . 5513 1 782 . 1 1 64 64 LYS HG3 H 1 1.516 0.05 . 1 . . . . . . . . 5513 1 783 . 1 1 64 64 LYS HD2 H 1 1.896 0.05 . 1 . . . . . . . . 5513 1 784 . 1 1 64 64 LYS HD3 H 1 1.896 0.05 . 1 . . . . . . . . 5513 1 785 . 1 1 64 64 LYS HE2 H 1 3.095 0.05 . 1 . . . . . . . . 5513 1 786 . 1 1 64 64 LYS HE3 H 1 3.095 0.05 . 1 . . . . . . . . 5513 1 787 . 1 1 64 64 LYS C C 13 173.492 0.2 . 1 . . . . . . . . 5513 1 788 . 1 1 64 64 LYS CA C 13 57.323 0.2 . 1 . . . . . . . . 5513 1 789 . 1 1 64 64 LYS CB C 13 26.977 0.2 . 1 . . . . . . . . 5513 1 790 . 1 1 64 64 LYS CG C 13 23.723 0.2 . 1 . . . . . . . . 5513 1 791 . 1 1 64 64 LYS CD C 13 26.876 0.2 . 1 . . . . . . . . 5513 1 792 . 1 1 64 64 LYS CE C 13 40.812 0.2 . 1 . . . . . . . . 5513 1 793 . 1 1 64 64 LYS N N 15 112.682 0.1 . 1 . . . . . . . . 5513 1 794 . 1 1 65 65 SER H H 1 8.118 0.05 . 1 . . . . . . . . 5513 1 795 . 1 1 65 65 SER HA H 1 4.607 0.05 . 1 . . . . . . . . 5513 1 796 . 1 1 65 65 SER HB2 H 1 3.952 0.05 . 2 . . . . . . . . 5513 1 797 . 1 1 65 65 SER HB3 H 1 4.107 0.05 . 2 . . . . . . . . 5513 1 798 . 1 1 65 65 SER C C 13 170.721 0.2 . 1 . . . . . . . . 5513 1 799 . 1 1 65 65 SER CA C 13 57.281 0.2 . 1 . . . . . . . . 5513 1 800 . 1 1 65 65 SER CB C 13 62.774 0.2 . 1 . . . . . . . . 5513 1 801 . 1 1 65 65 SER N N 15 114.431 0.1 . 1 . . . . . . . . 5513 1 802 . 1 1 66 66 PHE H H 1 8.252 0.05 . 1 . . . . . . . . 5513 1 803 . 1 1 66 66 PHE HA H 1 6.318 0.05 . 1 . . . . . . . . 5513 1 804 . 1 1 66 66 PHE HB2 H 1 3.179 0.05 . 2 . . . . . . . . 5513 1 805 . 1 1 66 66 PHE HB3 H 1 3.033 0.05 . 2 . . . . . . . . 5513 1 806 . 1 1 66 66 PHE HD1 H 1 7.251 0.05 . 1 . . . . . . . . 5513 1 807 . 1 1 66 66 PHE HD2 H 1 7.251 0.05 . 1 . . . . . . . . 5513 1 808 . 1 1 66 66 PHE HE1 H 1 7.538 0.05 . 1 . . . . . . . . 5513 1 809 . 1 1 66 66 PHE HE2 H 1 7.538 0.05 . 1 . . . . . . . . 5513 1 810 . 1 1 66 66 PHE HZ H 1 7.149 0.05 . 1 . . . . . . . . 5513 1 811 . 1 1 66 66 PHE C C 13 172.974 0.2 . 1 . . . . . . . . 5513 1 812 . 1 1 66 66 PHE CA C 13 54.469 0.2 . 1 . . . . . . . . 5513 1 813 . 1 1 66 66 PHE CB C 13 40.915 0.2 . 1 . . . . . . . . 5513 1 814 . 1 1 66 66 PHE CD1 C 13 132.366 0.2 . 1 . . . . . . . . 5513 1 815 . 1 1 66 66 PHE CD2 C 13 132.366 0.2 . 1 . . . . . . . . 5513 1 816 . 1 1 66 66 PHE CE1 C 13 130.635 0.2 . 1 . . . . . . . . 5513 1 817 . 1 1 66 66 PHE CE2 C 13 130.635 0.2 . 1 . . . . . . . . 5513 1 818 . 1 1 66 66 PHE CZ C 13 128.813 0.2 . 1 . . . . . . . . 5513 1 819 . 1 1 66 66 PHE N N 15 112.049 0.1 . 1 . . . . . . . . 5513 1 820 . 1 1 67 67 THR H H 1 9.292 0.05 . 1 . . . . . . . . 5513 1 821 . 1 1 67 67 THR HA H 1 4.664 0.05 . 1 . . . . . . . . 5513 1 822 . 1 1 67 67 THR HB H 1 4.453 0.05 . 1 . . . . . . . . 5513 1 823 . 1 1 67 67 THR HG21 H 1 1.353 0.05 . 1 . . . . . . . . 5513 1 824 . 1 1 67 67 THR HG22 H 1 1.353 0.05 . 1 . . . . . . . . 5513 1 825 . 1 1 67 67 THR HG23 H 1 1.353 0.05 . 1 . . . . . . . . 5513 1 826 . 1 1 67 67 THR C C 13 170.883 0.2 . 1 . . . . . . . . 5513 1 827 . 1 1 67 67 THR CA C 13 58.269 0.2 . 1 . . . . . . . . 5513 1 828 . 1 1 67 67 THR CB C 13 70.692 0.2 . 1 . . . . . . . . 5513 1 829 . 1 1 67 67 THR CG2 C 13 20.192 0.2 . 1 . . . . . . . . 5513 1 830 . 1 1 67 67 THR N N 15 112.484 0.1 . 1 . . . . . . . . 5513 1 831 . 1 1 68 68 PHE H H 1 8.612 0.05 . 1 . . . . . . . . 5513 1 832 . 1 1 68 68 PHE HA H 1 5.987 0.05 . 1 . . . . . . . . 5513 1 833 . 1 1 68 68 PHE HB2 H 1 3.290 0.05 . 2 . . . . . . . . 5513 1 834 . 1 1 68 68 PHE HB3 H 1 3.141 0.05 . 2 . . . . . . . . 5513 1 835 . 1 1 68 68 PHE HD1 H 1 7.189 0.05 . 1 . . . . . . . . 5513 1 836 . 1 1 68 68 PHE HD2 H 1 7.189 0.05 . 1 . . . . . . . . 5513 1 837 . 1 1 68 68 PHE HE1 H 1 7.331 0.05 . 1 . . . . . . . . 5513 1 838 . 1 1 68 68 PHE HE2 H 1 7.331 0.05 . 1 . . . . . . . . 5513 1 839 . 1 1 68 68 PHE HZ H 1 7.065 0.05 . 1 . . . . . . . . 5513 1 840 . 1 1 68 68 PHE C C 13 171.033 0.2 . 1 . . . . . . . . 5513 1 841 . 1 1 68 68 PHE CA C 13 54.377 0.2 . 1 . . . . . . . . 5513 1 842 . 1 1 68 68 PHE CB C 13 40.894 0.2 . 1 . . . . . . . . 5513 1 843 . 1 1 68 68 PHE CD1 C 13 131.820 0.2 . 1 . . . . . . . . 5513 1 844 . 1 1 68 68 PHE CD2 C 13 131.820 0.2 . 1 . . . . . . . . 5513 1 845 . 1 1 68 68 PHE CE1 C 13 130.909 0.2 . 1 . . . . . . . . 5513 1 846 . 1 1 68 68 PHE CE2 C 13 130.909 0.2 . 1 . . . . . . . . 5513 1 847 . 1 1 68 68 PHE CZ C 13 129.816 0.2 . 1 . . . . . . . . 5513 1 848 . 1 1 68 68 PHE N N 15 115.657 0.1 . 1 . . . . . . . . 5513 1 849 . 1 1 69 69 ILE H H 1 8.619 0.05 . 1 . . . . . . . . 5513 1 850 . 1 1 69 69 ILE HA H 1 4.717 0.05 . 1 . . . . . . . . 5513 1 851 . 1 1 69 69 ILE HB H 1 1.863 0.05 . 1 . . . . . . . . 5513 1 852 . 1 1 69 69 ILE HG12 H 1 1.208 0.05 . 2 . . . . . . . . 5513 1 853 . 1 1 69 69 ILE HG13 H 1 1.561 0.05 . 2 . . . . . . . . 5513 1 854 . 1 1 69 69 ILE HG21 H 1 0.979 0.05 . 1 . . . . . . . . 5513 1 855 . 1 1 69 69 ILE HG22 H 1 0.979 0.05 . 1 . . . . . . . . 5513 1 856 . 1 1 69 69 ILE HG23 H 1 0.979 0.05 . 1 . . . . . . . . 5513 1 857 . 1 1 69 69 ILE HD11 H 1 0.912 0.05 . 1 . . . . . . . . 5513 1 858 . 1 1 69 69 ILE HD12 H 1 0.912 0.05 . 1 . . . . . . . . 5513 1 859 . 1 1 69 69 ILE HD13 H 1 0.912 0.05 . 1 . . . . . . . . 5513 1 860 . 1 1 69 69 ILE C C 13 172.485 0.2 . 1 . . . . . . . . 5513 1 861 . 1 1 69 69 ILE CA C 13 57.351 0.2 . 1 . . . . . . . . 5513 1 862 . 1 1 69 69 ILE CB C 13 40.421 0.2 . 1 . . . . . . . . 5513 1 863 . 1 1 69 69 ILE CG1 C 13 25.231 0.2 . 1 . . . . . . . . 5513 1 864 . 1 1 69 69 ILE CG2 C 13 16.248 0.2 . 1 . . . . . . . . 5513 1 865 . 1 1 69 69 ILE CD1 C 13 11.800 0.2 . 1 . . . . . . . . 5513 1 866 . 1 1 69 69 ILE N N 15 117.166 0.1 . 1 . . . . . . . . 5513 1 867 . 1 1 70 70 ILE H H 1 8.856 0.05 . 1 . . . . . . . . 5513 1 868 . 1 1 70 70 ILE HA H 1 4.873 0.05 . 1 . . . . . . . . 5513 1 869 . 1 1 70 70 ILE HB H 1 2.010 0.05 . 1 . . . . . . . . 5513 1 870 . 1 1 70 70 ILE HG12 H 1 1.404 0.05 . 2 . . . . . . . . 5513 1 871 . 1 1 70 70 ILE HG13 H 1 1.768 0.05 . 2 . . . . . . . . 5513 1 872 . 1 1 70 70 ILE HG21 H 1 1.115 0.05 . 1 . . . . . . . . 5513 1 873 . 1 1 70 70 ILE HG22 H 1 1.115 0.05 . 1 . . . . . . . . 5513 1 874 . 1 1 70 70 ILE HG23 H 1 1.115 0.05 . 1 . . . . . . . . 5513 1 875 . 1 1 70 70 ILE HD11 H 1 0.981 0.05 . 1 . . . . . . . . 5513 1 876 . 1 1 70 70 ILE HD12 H 1 0.981 0.05 . 1 . . . . . . . . 5513 1 877 . 1 1 70 70 ILE HD13 H 1 0.981 0.05 . 1 . . . . . . . . 5513 1 878 . 1 1 70 70 ILE C C 13 174.330 0.2 . 1 . . . . . . . . 5513 1 879 . 1 1 70 70 ILE CA C 13 57.945 0.2 . 1 . . . . . . . . 5513 1 880 . 1 1 70 70 ILE CB C 13 36.914 0.2 . 1 . . . . . . . . 5513 1 881 . 1 1 70 70 ILE CG1 C 13 26.184 0.2 . 1 . . . . . . . . 5513 1 882 . 1 1 70 70 ILE CG2 C 13 17.504 0.2 . 1 . . . . . . . . 5513 1 883 . 1 1 70 70 ILE CD1 C 13 12.315 0.2 . 1 . . . . . . . . 5513 1 884 . 1 1 70 70 ILE N N 15 124.821 0.1 . 1 . . . . . . . . 5513 1 885 . 1 1 71 71 LYS H H 1 8.474 0.05 . 1 . . . . . . . . 5513 1 886 . 1 1 71 71 LYS HA H 1 4.735 0.05 . 1 . . . . . . . . 5513 1 887 . 1 1 71 71 LYS HB2 H 1 2.058 0.05 . 2 . . . . . . . . 5513 1 888 . 1 1 71 71 LYS HB3 H 1 1.660 0.05 . 2 . . . . . . . . 5513 1 889 . 1 1 71 71 LYS HG2 H 1 1.444 0.05 . 2 . . . . . . . . 5513 1 890 . 1 1 71 71 LYS HG3 H 1 1.513 0.05 . 2 . . . . . . . . 5513 1 891 . 1 1 71 71 LYS HD2 H 1 1.691 0.05 . 1 . . . . . . . . 5513 1 892 . 1 1 71 71 LYS HD3 H 1 1.691 0.05 . 1 . . . . . . . . 5513 1 893 . 1 1 71 71 LYS HE2 H 1 2.844 0.05 . 1 . . . . . . . . 5513 1 894 . 1 1 71 71 LYS HE3 H 1 2.844 0.05 . 1 . . . . . . . . 5513 1 895 . 1 1 71 71 LYS C C 13 173.479 0.2 . 1 . . . . . . . . 5513 1 896 . 1 1 71 71 LYS CA C 13 52.578 0.2 . 1 . . . . . . . . 5513 1 897 . 1 1 71 71 LYS CB C 13 30.742 0.2 . 1 . . . . . . . . 5513 1 898 . 1 1 71 71 LYS CG C 13 22.667 0.2 . 1 . . . . . . . . 5513 1 899 . 1 1 71 71 LYS CD C 13 26.503 0.2 . 1 . . . . . . . . 5513 1 900 . 1 1 71 71 LYS CE C 13 40.085 0.2 . 1 . . . . . . . . 5513 1 901 . 1 1 71 71 LYS N N 15 127.314 0.1 . 1 . . . . . . . . 5513 1 902 . 1 1 72 72 THR H H 1 8.196 0.05 . 1 . . . . . . . . 5513 1 903 . 1 1 72 72 THR HA H 1 4.620 0.05 . 1 . . . . . . . . 5513 1 904 . 1 1 72 72 THR HB H 1 4.191 0.05 . 1 . . . . . . . . 5513 1 905 . 1 1 72 72 THR HG21 H 1 1.421 0.05 . 1 . . . . . . . . 5513 1 906 . 1 1 72 72 THR HG22 H 1 1.421 0.05 . 1 . . . . . . . . 5513 1 907 . 1 1 72 72 THR HG23 H 1 1.421 0.05 . 1 . . . . . . . . 5513 1 908 . 1 1 72 72 THR C C 13 170.791 0.2 . 1 . . . . . . . . 5513 1 909 . 1 1 72 72 THR CA C 13 57.968 0.2 . 1 . . . . . . . . 5513 1 910 . 1 1 72 72 THR CB C 13 67.409 0.2 . 1 . . . . . . . . 5513 1 911 . 1 1 72 72 THR CG2 C 13 20.659 0.2 . 1 . . . . . . . . 5513 1 912 . 1 1 72 72 THR N N 15 112.892 0.1 . 1 . . . . . . . . 5513 1 913 . 1 1 75 75 ALA N N 15 122.563 0.1 . 1 . . . . . . . . 5513 1 914 . 1 1 75 75 ALA H H 1 7.098 0.05 . 1 . . . . . . . . 5513 1 915 . 1 1 76 76 SER N N 15 110.818 0.1 . 1 . . . . . . . . 5513 1 916 . 1 1 76 76 SER H H 1 7.098 0.05 . 1 . . . . . . . . 5513 1 917 . 1 1 77 77 PHE N N 15 121.005 0.1 . 1 . . . . . . . . 5513 1 918 . 1 1 77 77 PHE H H 1 8.162 0.05 . 1 . . . . . . . . 5513 1 919 . 1 1 78 78 LEU N N 15 118.147 0.1 . 1 . . . . . . . . 5513 1 920 . 1 1 78 78 LEU H H 1 7.719 0.05 . 1 . . . . . . . . 5513 1 921 . 1 1 79 79 LEU H H 1 8.708 0.05 . 1 . . . . . . . . 5513 1 922 . 1 1 79 79 LEU HA H 1 3.917 0.05 . 1 . . . . . . . . 5513 1 923 . 1 1 79 79 LEU HB2 H 1 1.477 0.05 . 2 . . . . . . . . 5513 1 924 . 1 1 79 79 LEU HB3 H 1 1.936 0.05 . 2 . . . . . . . . 5513 1 925 . 1 1 79 79 LEU HG H 1 1.727 0.05 . 1 . . . . . . . . 5513 1 926 . 1 1 79 79 LEU HD11 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 927 . 1 1 79 79 LEU HD12 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 928 . 1 1 79 79 LEU HD13 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 929 . 1 1 79 79 LEU HD21 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 930 . 1 1 79 79 LEU HD22 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 931 . 1 1 79 79 LEU HD23 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 932 . 1 1 79 79 LEU C C 13 173.930 0.2 . 1 . . . . . . . . 5513 1 933 . 1 1 79 79 LEU CA C 13 55.658 0.2 . 1 . . . . . . . . 5513 1 934 . 1 1 79 79 LEU CB C 13 39.949 0.2 . 1 . . . . . . . . 5513 1 935 . 1 1 79 79 LEU CG C 13 24.485 0.2 . 1 . . . . . . . . 5513 1 936 . 1 1 79 79 LEU CD1 C 13 25.022 0.2 . 2 . . . . . . . . 5513 1 937 . 1 1 79 79 LEU CD2 C 13 21.503 0.2 . 2 . . . . . . . . 5513 1 938 . 1 1 79 79 LEU N N 15 121.017 0.1 . 1 . . . . . . . . 5513 1 939 . 1 1 80 80 LYS H H 1 7.750 0.05 . 1 . . . . . . . . 5513 1 940 . 1 1 80 80 LYS HA H 1 3.671 0.05 . 1 . . . . . . . . 5513 1 941 . 1 1 80 80 LYS HB2 H 1 1.622 0.05 . 2 . . . . . . . . 5513 1 942 . 1 1 80 80 LYS HB3 H 1 1.846 0.05 . 2 . . . . . . . . 5513 1 943 . 1 1 80 80 LYS HG2 H 1 1.186 0.05 . 1 . . . . . . . . 5513 1 944 . 1 1 80 80 LYS HG3 H 1 1.186 0.05 . 1 . . . . . . . . 5513 1 945 . 1 1 80 80 LYS HD2 H 1 1.619 0.05 . 1 . . . . . . . . 5513 1 946 . 1 1 80 80 LYS HD3 H 1 1.619 0.05 . 1 . . . . . . . . 5513 1 947 . 1 1 80 80 LYS HE2 H 1 3.098 0.05 . 1 . . . . . . . . 5513 1 948 . 1 1 80 80 LYS HE3 H 1 3.098 0.05 . 1 . . . . . . . . 5513 1 949 . 1 1 80 80 LYS C C 13 176.648 0.2 . 1 . . . . . . . . 5513 1 950 . 1 1 80 80 LYS CA C 13 58.617 0.2 . 1 . . . . . . . . 5513 1 951 . 1 1 80 80 LYS CB C 13 30.169 0.2 . 1 . . . . . . . . 5513 1 952 . 1 1 80 80 LYS CG C 13 22.144 0.2 . 1 . . . . . . . . 5513 1 953 . 1 1 80 80 LYS CD C 13 26.781 0.2 . 1 . . . . . . . . 5513 1 954 . 1 1 80 80 LYS CE C 13 40.615 0.2 . 1 . . . . . . . . 5513 1 955 . 1 1 80 80 LYS N N 15 118.048 0.1 . 1 . . . . . . . . 5513 1 956 . 1 1 81 81 LYS H H 1 7.752 0.05 . 1 . . . . . . . . 5513 1 957 . 1 1 81 81 LYS HA H 1 4.008 0.05 . 1 . . . . . . . . 5513 1 958 . 1 1 81 81 LYS HB2 H 1 1.690 0.05 . 2 . . . . . . . . 5513 1 959 . 1 1 81 81 LYS HB3 H 1 1.491 0.05 . 2 . . . . . . . . 5513 1 960 . 1 1 81 81 LYS HG2 H 1 1.276 0.05 . 1 . . . . . . . . 5513 1 961 . 1 1 81 81 LYS HG3 H 1 1.276 0.05 . 1 . . . . . . . . 5513 1 962 . 1 1 81 81 LYS HD2 H 1 1.527 0.05 . 1 . . . . . . . . 5513 1 963 . 1 1 81 81 LYS HD3 H 1 1.527 0.05 . 1 . . . . . . . . 5513 1 964 . 1 1 81 81 LYS HE2 H 1 2.972 0.05 . 1 . . . . . . . . 5513 1 965 . 1 1 81 81 LYS HE3 H 1 2.972 0.05 . 1 . . . . . . . . 5513 1 966 . 1 1 81 81 LYS C C 13 177.775 0.2 . 1 . . . . . . . . 5513 1 967 . 1 1 81 81 LYS CA C 13 56.574 0.2 . 1 . . . . . . . . 5513 1 968 . 1 1 81 81 LYS CB C 13 30.169 0.2 . 1 . . . . . . . . 5513 1 969 . 1 1 81 81 LYS CG C 13 22.355 0.2 . 1 . . . . . . . . 5513 1 970 . 1 1 81 81 LYS CD C 13 26.851 0.2 . 1 . . . . . . . . 5513 1 971 . 1 1 81 81 LYS CE C 13 40.329 0.2 . 1 . . . . . . . . 5513 1 972 . 1 1 81 81 LYS N N 15 118.046 0.1 . 1 . . . . . . . . 5513 1 973 . 1 1 82 82 ALA H H 1 8.006 0.05 . 1 . . . . . . . . 5513 1 974 . 1 1 82 82 ALA HA H 1 4.105 0.05 . 1 . . . . . . . . 5513 1 975 . 1 1 82 82 ALA HB1 H 1 1.464 0.05 . 1 . . . . . . . . 5513 1 976 . 1 1 82 82 ALA HB2 H 1 1.464 0.05 . 1 . . . . . . . . 5513 1 977 . 1 1 82 82 ALA HB3 H 1 1.464 0.05 . 1 . . . . . . . . 5513 1 978 . 1 1 82 82 ALA C C 13 176.393 0.2 . 1 . . . . . . . . 5513 1 979 . 1 1 82 82 ALA CA C 13 52.938 0.2 . 1 . . . . . . . . 5513 1 980 . 1 1 82 82 ALA CB C 13 16.321 0.2 . 1 . . . . . . . . 5513 1 981 . 1 1 82 82 ALA N N 15 122.931 0.1 . 1 . . . . . . . . 5513 1 982 . 1 1 83 83 ALA H H 1 7.940 0.05 . 1 . . . . . . . . 5513 1 983 . 1 1 83 83 ALA HA H 1 4.547 0.05 . 1 . . . . . . . . 5513 1 984 . 1 1 83 83 ALA HB1 H 1 1.297 0.05 . 1 . . . . . . . . 5513 1 985 . 1 1 83 83 ALA HB2 H 1 1.297 0.05 . 1 . . . . . . . . 5513 1 986 . 1 1 83 83 ALA HB3 H 1 1.297 0.05 . 1 . . . . . . . . 5513 1 987 . 1 1 83 83 ALA C C 13 175.750 0.2 . 1 . . . . . . . . 5513 1 988 . 1 1 83 83 ALA CA C 13 49.962 0.2 . 1 . . . . . . . . 5513 1 989 . 1 1 83 83 ALA CB C 13 17.716 0.2 . 1 . . . . . . . . 5513 1 990 . 1 1 83 83 ALA N N 15 116.628 0.1 . 1 . . . . . . . . 5513 1 991 . 1 1 84 84 GLY H H 1 7.788 0.05 . 1 . . . . . . . . 5513 1 992 . 1 1 84 84 GLY HA2 H 1 4.069 0.05 . 2 . . . . . . . . 5513 1 993 . 1 1 84 84 GLY HA3 H 1 4.038 0.05 . 2 . . . . . . . . 5513 1 994 . 1 1 84 84 GLY C C 13 173.283 0.2 . 1 . . . . . . . . 5513 1 995 . 1 1 84 84 GLY CA C 13 44.452 0.2 . 1 . . . . . . . . 5513 1 996 . 1 1 84 84 GLY N N 15 107.395 0.1 . 1 . . . . . . . . 5513 1 997 . 1 1 85 85 ILE H H 1 7.904 0.05 . 1 . . . . . . . . 5513 1 998 . 1 1 85 85 ILE HA H 1 4.429 0.05 . 1 . . . . . . . . 5513 1 999 . 1 1 85 85 ILE HB H 1 1.963 0.05 . 1 . . . . . . . . 5513 1 1000 . 1 1 85 85 ILE HG12 H 1 1.091 0.05 . 2 . . . . . . . . 5513 1 1001 . 1 1 85 85 ILE HG13 H 1 1.299 0.05 . 2 . . . . . . . . 5513 1 1002 . 1 1 85 85 ILE HG21 H 1 0.873 0.05 . 1 . . . . . . . . 5513 1 1003 . 1 1 85 85 ILE HG22 H 1 0.873 0.05 . 1 . . . . . . . . 5513 1 1004 . 1 1 85 85 ILE HG23 H 1 0.873 0.05 . 1 . . . . . . . . 5513 1 1005 . 1 1 85 85 ILE HD11 H 1 0.782 0.05 . 1 . . . . . . . . 5513 1 1006 . 1 1 85 85 ILE HD12 H 1 0.782 0.05 . 1 . . . . . . . . 5513 1 1007 . 1 1 85 85 ILE HD13 H 1 0.782 0.05 . 1 . . . . . . . . 5513 1 1008 . 1 1 85 85 ILE C C 13 173.884 0.2 . 1 . . . . . . . . 5513 1 1009 . 1 1 85 85 ILE CA C 13 58.905 0.2 . 1 . . . . . . . . 5513 1 1010 . 1 1 85 85 ILE CB C 13 36.740 0.2 . 1 . . . . . . . . 5513 1 1011 . 1 1 85 85 ILE CG1 C 13 24.895 0.2 . 1 . . . . . . . . 5513 1 1012 . 1 1 85 85 ILE CG2 C 13 15.337 0.2 . 1 . . . . . . . . 5513 1 1013 . 1 1 85 85 ILE CD1 C 13 11.646 0.2 . 1 . . . . . . . . 5513 1 1014 . 1 1 85 85 ILE N N 15 114.757 0.1 . 1 . . . . . . . . 5513 1 1015 . 1 1 86 86 GLU H H 1 8.623 0.05 . 1 . . . . . . . . 5513 1 1016 . 1 1 86 86 GLU HA H 1 4.237 0.05 . 1 . . . . . . . . 5513 1 1017 . 1 1 86 86 GLU HB2 H 1 1.911 0.05 . 1 . . . . . . . . 5513 1 1018 . 1 1 86 86 GLU HB3 H 1 1.911 0.05 . 1 . . . . . . . . 5513 1 1019 . 1 1 86 86 GLU HG2 H 1 2.229 0.05 . 1 . . . . . . . . 5513 1 1020 . 1 1 86 86 GLU HG3 H 1 2.229 0.05 . 1 . . . . . . . . 5513 1 1021 . 1 1 86 86 GLU C C 13 174.360 0.2 . 1 . . . . . . . . 5513 1 1022 . 1 1 86 86 GLU CA C 13 55.139 0.2 . 1 . . . . . . . . 5513 1 1023 . 1 1 86 86 GLU CB C 13 27.986 0.2 . 1 . . . . . . . . 5513 1 1024 . 1 1 86 86 GLU CG C 13 34.176 0.2 . 1 . . . . . . . . 5513 1 1025 . 1 1 86 86 GLU N N 15 124.070 0.1 . 1 . . . . . . . . 5513 1 1026 . 1 1 87 87 LYS H H 1 8.286 0.05 . 1 . . . . . . . . 5513 1 1027 . 1 1 87 87 LYS HA H 1 4.382 0.05 . 1 . . . . . . . . 5513 1 1028 . 1 1 87 87 LYS HB2 H 1 1.892 0.05 . 2 . . . . . . . . 5513 1 1029 . 1 1 87 87 LYS HB3 H 1 1.794 0.05 . 2 . . . . . . . . 5513 1 1030 . 1 1 87 87 LYS HG2 H 1 1.459 0.05 . 1 . . . . . . . . 5513 1 1031 . 1 1 87 87 LYS HG3 H 1 1.459 0.05 . 1 . . . . . . . . 5513 1 1032 . 1 1 87 87 LYS HD2 H 1 1.740 0.05 . 1 . . . . . . . . 5513 1 1033 . 1 1 87 87 LYS HD3 H 1 1.740 0.05 . 1 . . . . . . . . 5513 1 1034 . 1 1 87 87 LYS HE2 H 1 3.007 0.05 . 1 . . . . . . . . 5513 1 1035 . 1 1 87 87 LYS HE3 H 1 3.007 0.05 . 1 . . . . . . . . 5513 1 1036 . 1 1 87 87 LYS C C 13 174.775 0.2 . 1 . . . . . . . . 5513 1 1037 . 1 1 87 87 LYS CA C 13 54.533 0.2 . 1 . . . . . . . . 5513 1 1038 . 1 1 87 87 LYS CB C 13 31.200 0.2 . 1 . . . . . . . . 5513 1 1039 . 1 1 87 87 LYS CG C 13 22.973 0.2 . 1 . . . . . . . . 5513 1 1040 . 1 1 87 87 LYS CD C 13 27.152 0.2 . 1 . . . . . . . . 5513 1 1041 . 1 1 87 87 LYS CE C 13 40.142 0.2 . 1 . . . . . . . . 5513 1 1042 . 1 1 87 87 LYS N N 15 121.039 0.1 . 1 . . . . . . . . 5513 1 1043 . 1 1 88 88 GLY H H 1 8.403 0.05 . 1 . . . . . . . . 5513 1 1044 . 1 1 88 88 GLY HA2 H 1 4.052 0.05 . 2 . . . . . . . . 5513 1 1045 . 1 1 88 88 GLY HA3 H 1 4.003 0.05 . 2 . . . . . . . . 5513 1 1046 . 1 1 88 88 GLY C C 13 171.994 0.2 . 1 . . . . . . . . 5513 1 1047 . 1 1 88 88 GLY CA C 13 43.221 0.2 . 1 . . . . . . . . 5513 1 1048 . 1 1 88 88 GLY N N 15 109.476 0.1 . 1 . . . . . . . . 5513 1 1049 . 1 1 89 89 SER H H 1 8.301 0.05 . 1 . . . . . . . . 5513 1 1050 . 1 1 89 89 SER HA H 1 4.512 0.05 . 1 . . . . . . . . 5513 1 1051 . 1 1 89 89 SER HB2 H 1 3.992 0.05 . 2 . . . . . . . . 5513 1 1052 . 1 1 89 89 SER HB3 H 1 3.816 0.05 . 2 . . . . . . . . 5513 1 1053 . 1 1 89 89 SER C C 13 172.928 0.2 . 1 . . . . . . . . 5513 1 1054 . 1 1 89 89 SER CA C 13 56.321 0.2 . 1 . . . . . . . . 5513 1 1055 . 1 1 89 89 SER CB C 13 62.255 0.2 . 1 . . . . . . . . 5513 1 1056 . 1 1 89 89 SER N N 15 115.167 0.1 . 1 . . . . . . . . 5513 1 1057 . 1 1 90 90 SER H H 1 8.521 0.05 . 1 . . . . . . . . 5513 1 1058 . 1 1 90 90 SER HA H 1 4.507 0.05 . 1 . . . . . . . . 5513 1 1059 . 1 1 90 90 SER HB2 H 1 3.965 0.05 . 2 . . . . . . . . 5513 1 1060 . 1 1 90 90 SER HB3 H 1 3.909 0.05 . 2 . . . . . . . . 5513 1 1061 . 1 1 90 90 SER C C 13 172.120 0.2 . 1 . . . . . . . . 5513 1 1062 . 1 1 90 90 SER CA C 13 56.635 0.2 . 1 . . . . . . . . 5513 1 1063 . 1 1 90 90 SER CB C 13 61.781 0.2 . 1 . . . . . . . . 5513 1 1064 . 1 1 90 90 SER N N 15 118.117 0.1 . 1 . . . . . . . . 5513 1 1065 . 1 1 91 91 GLU H H 1 8.238 0.05 . 1 . . . . . . . . 5513 1 1066 . 1 1 91 91 GLU HA H 1 4.659 0.05 . 1 . . . . . . . . 5513 1 1067 . 1 1 91 91 GLU HB2 H 1 1.931 0.05 . 1 . . . . . . . . 5513 1 1068 . 1 1 91 91 GLU HB3 H 1 1.931 0.05 . 1 . . . . . . . . 5513 1 1069 . 1 1 91 91 GLU HG2 H 1 2.235 0.05 . 1 . . . . . . . . 5513 1 1070 . 1 1 91 91 GLU HG3 H 1 2.235 0.05 . 1 . . . . . . . . 5513 1 1071 . 1 1 91 91 GLU C C 13 172.535 0.2 . 1 . . . . . . . . 5513 1 1072 . 1 1 91 91 GLU CA C 13 52.535 0.2 . 1 . . . . . . . . 5513 1 1073 . 1 1 91 91 GLU CB C 13 28.106 0.2 . 1 . . . . . . . . 5513 1 1074 . 1 1 91 91 GLU CG C 13 34.092 0.2 . 1 . . . . . . . . 5513 1 1075 . 1 1 91 91 GLU N N 15 123.029 0.1 . 1 . . . . . . . . 5513 1 1076 . 1 1 92 92 PRO HA H 1 4.379 0.05 . 1 . . . . . . . . 5513 1 1077 . 1 1 92 92 PRO HB2 H 1 1.952 0.05 . 2 . . . . . . . . 5513 1 1078 . 1 1 92 92 PRO HB3 H 1 2.307 0.05 . 2 . . . . . . . . 5513 1 1079 . 1 1 92 92 PRO HG2 H 1 2.186 0.05 . 1 . . . . . . . . 5513 1 1080 . 1 1 92 92 PRO HG3 H 1 2.051 0.05 . 1 . . . . . . . . 5513 1 1081 . 1 1 92 92 PRO HD2 H 1 3.784 0.05 . 1 . . . . . . . . 5513 1 1082 . 1 1 92 92 PRO HD3 H 1 3.784 0.05 . 1 . . . . . . . . 5513 1 1083 . 1 1 92 92 PRO C C 13 175.156 0.2 . 1 . . . . . . . . 5513 1 1084 . 1 1 92 92 PRO CA C 13 62.090 0.2 . 1 . . . . . . . . 5513 1 1085 . 1 1 92 92 PRO CB C 13 30.302 0.2 . 1 . . . . . . . . 5513 1 1086 . 1 1 92 92 PRO CG C 13 25.486 0.2 . 1 . . . . . . . . 5513 1 1087 . 1 1 92 92 PRO CD C 13 48.735 0.2 . 1 . . . . . . . . 5513 1 1088 . 1 1 93 93 LYS H H 1 8.458 0.05 . 1 . . . . . . . . 5513 1 1089 . 1 1 93 93 LYS HA H 1 4.266 0.05 . 1 . . . . . . . . 5513 1 1090 . 1 1 93 93 LYS HB2 H 1 1.901 0.05 . 1 . . . . . . . . 5513 1 1091 . 1 1 93 93 LYS HB3 H 1 1.901 0.05 . 1 . . . . . . . . 5513 1 1092 . 1 1 93 93 LYS HG2 H 1 1.475 0.05 . 1 . . . . . . . . 5513 1 1093 . 1 1 93 93 LYS HG3 H 1 1.475 0.05 . 1 . . . . . . . . 5513 1 1094 . 1 1 93 93 LYS HD2 H 1 1.741 0.05 . 1 . . . . . . . . 5513 1 1095 . 1 1 93 93 LYS HD3 H 1 1.741 0.05 . 1 . . . . . . . . 5513 1 1096 . 1 1 93 93 LYS HE2 H 1 2.986 0.05 . 1 . . . . . . . . 5513 1 1097 . 1 1 93 93 LYS HE3 H 1 2.986 0.05 . 1 . . . . . . . . 5513 1 1098 . 1 1 93 93 LYS C C 13 174.550 0.2 . 1 . . . . . . . . 5513 1 1099 . 1 1 93 93 LYS CA C 13 54.802 0.2 . 1 . . . . . . . . 5513 1 1100 . 1 1 93 93 LYS CB C 13 30.470 0.2 . 1 . . . . . . . . 5513 1 1101 . 1 1 93 93 LYS CG C 13 22.593 0.2 . 1 . . . . . . . . 5513 1 1102 . 1 1 93 93 LYS CD C 13 26.809 0.2 . 1 . . . . . . . . 5513 1 1103 . 1 1 93 93 LYS CE C 13 39.991 0.2 . 1 . . . . . . . . 5513 1 1104 . 1 1 93 93 LYS N N 15 118.692 0.1 . 1 . . . . . . . . 5513 1 1105 . 1 1 94 94 ARG H H 1 7.975 0.05 . 1 . . . . . . . . 5513 1 1106 . 1 1 94 94 ARG HA H 1 4.389 0.05 . 1 . . . . . . . . 5513 1 1107 . 1 1 94 94 ARG HB2 H 1 1.761 0.05 . 2 . . . . . . . . 5513 1 1108 . 1 1 94 94 ARG HB3 H 1 1.899 0.05 . 2 . . . . . . . . 5513 1 1109 . 1 1 94 94 ARG HG2 H 1 1.614 0.05 . 2 . . . . . . . . 5513 1 1110 . 1 1 94 94 ARG HG3 H 1 1.632 0.05 . 2 . . . . . . . . 5513 1 1111 . 1 1 94 94 ARG HD2 H 1 3.222 0.05 . 2 . . . . . . . . 5513 1 1112 . 1 1 94 94 ARG HD3 H 1 3.236 0.05 . 2 . . . . . . . . 5513 1 1113 . 1 1 94 94 ARG C C 13 173.592 0.2 . 1 . . . . . . . . 5513 1 1114 . 1 1 94 94 ARG CA C 13 53.922 0.2 . 1 . . . . . . . . 5513 1 1115 . 1 1 94 94 ARG CB C 13 29.456 0.2 . 1 . . . . . . . . 5513 1 1116 . 1 1 94 94 ARG CG C 13 25.205 0.2 . 1 . . . . . . . . 5513 1 1117 . 1 1 94 94 ARG CD C 13 41.548 0.2 . 1 . . . . . . . . 5513 1 1118 . 1 1 94 94 ARG N N 15 120.192 0.1 . 1 . . . . . . . . 5513 1 1119 . 1 1 95 95 LYS H H 1 8.318 0.05 . 1 . . . . . . . . 5513 1 1120 . 1 1 95 95 LYS HA H 1 4.279 0.05 . 1 . . . . . . . . 5513 1 1121 . 1 1 95 95 LYS HB2 H 1 1.889 0.05 . 2 . . . . . . . . 5513 1 1122 . 1 1 95 95 LYS HB3 H 1 1.828 0.05 . 2 . . . . . . . . 5513 1 1123 . 1 1 95 95 LYS HG2 H 1 1.436 0.05 . 1 . . . . . . . . 5513 1 1124 . 1 1 95 95 LYS HG3 H 1 1.436 0.05 . 1 . . . . . . . . 5513 1 1125 . 1 1 95 95 LYS HD2 H 1 1.761 0.05 . 1 . . . . . . . . 5513 1 1126 . 1 1 95 95 LYS HD3 H 1 1.761 0.05 . 1 . . . . . . . . 5513 1 1127 . 1 1 95 95 LYS HE2 H 1 3.015 0.05 . 1 . . . . . . . . 5513 1 1128 . 1 1 95 95 LYS HE3 H 1 3.015 0.05 . 1 . . . . . . . . 5513 1 1129 . 1 1 95 95 LYS C C 13 174.021 0.2 . 1 . . . . . . . . 5513 1 1130 . 1 1 95 95 LYS CA C 13 55.064 0.2 . 1 . . . . . . . . 5513 1 1131 . 1 1 95 95 LYS CB C 13 30.977 0.2 . 1 . . . . . . . . 5513 1 1132 . 1 1 95 95 LYS CG C 13 22.740 0.2 . 1 . . . . . . . . 5513 1 1133 . 1 1 95 95 LYS CD C 13 26.993 0.2 . 1 . . . . . . . . 5513 1 1134 . 1 1 95 95 LYS CE C 13 40.048 0.2 . 1 . . . . . . . . 5513 1 1135 . 1 1 95 95 LYS N N 15 122.012 0.1 . 1 . . . . . . . . 5513 1 1136 . 1 1 96 96 ILE H H 1 8.062 0.05 . 1 . . . . . . . . 5513 1 1137 . 1 1 96 96 ILE HA H 1 4.472 0.05 . 1 . . . . . . . . 5513 1 1138 . 1 1 96 96 ILE HB H 1 1.886 0.05 . 1 . . . . . . . . 5513 1 1139 . 1 1 96 96 ILE HG12 H 1 1.237 0.05 . 2 . . . . . . . . 5513 1 1140 . 1 1 96 96 ILE HG13 H 1 1.472 0.05 . 2 . . . . . . . . 5513 1 1141 . 1 1 96 96 ILE HG21 H 1 0.945 0.05 . 1 . . . . . . . . 5513 1 1142 . 1 1 96 96 ILE HG22 H 1 0.945 0.05 . 1 . . . . . . . . 5513 1 1143 . 1 1 96 96 ILE HG23 H 1 0.945 0.05 . 1 . . . . . . . . 5513 1 1144 . 1 1 96 96 ILE HD11 H 1 0.824 0.05 . 1 . . . . . . . . 5513 1 1145 . 1 1 96 96 ILE HD12 H 1 0.824 0.05 . 1 . . . . . . . . 5513 1 1146 . 1 1 96 96 ILE HD13 H 1 0.824 0.05 . 1 . . . . . . . . 5513 1 1147 . 1 1 96 96 ILE C C 13 174.286 0.2 . 1 . . . . . . . . 5513 1 1148 . 1 1 96 96 ILE CA C 13 57.934 0.2 . 1 . . . . . . . . 5513 1 1149 . 1 1 96 96 ILE CB C 13 36.424 0.2 . 1 . . . . . . . . 5513 1 1150 . 1 1 96 96 ILE CG1 C 13 25.070 0.2 . 1 . . . . . . . . 5513 1 1151 . 1 1 96 96 ILE CG2 C 13 15.693 0.2 . 1 . . . . . . . . 5513 1 1152 . 1 1 96 96 ILE CD1 C 13 10.252 0.2 . 1 . . . . . . . . 5513 1 1153 . 1 1 96 96 ILE N N 15 121.605 0.1 . 1 . . . . . . . . 5513 1 1154 . 1 1 97 97 VAL H H 1 8.619 0.05 . 1 . . . . . . . . 5513 1 1155 . 1 1 97 97 VAL HA H 1 4.335 0.05 . 1 . . . . . . . . 5513 1 1156 . 1 1 97 97 VAL HB H 1 2.169 0.05 . 1 . . . . . . . . 5513 1 1157 . 1 1 97 97 VAL HG11 H 1 0.925 0.05 . 2 . . . . . . . . 5513 1 1158 . 1 1 97 97 VAL HG12 H 1 0.925 0.05 . 2 . . . . . . . . 5513 1 1159 . 1 1 97 97 VAL HG13 H 1 0.925 0.05 . 2 . . . . . . . . 5513 1 1160 . 1 1 97 97 VAL HG21 H 1 0.966 0.05 . 2 . . . . . . . . 5513 1 1161 . 1 1 97 97 VAL HG22 H 1 0.966 0.05 . 2 . . . . . . . . 5513 1 1162 . 1 1 97 97 VAL HG23 H 1 0.966 0.05 . 2 . . . . . . . . 5513 1 1163 . 1 1 97 97 VAL C C 13 174.047 0.2 . 1 . . . . . . . . 5513 1 1164 . 1 1 97 97 VAL CA C 13 59.913 0.2 . 1 . . . . . . . . 5513 1 1165 . 1 1 97 97 VAL CB C 13 31.117 0.2 . 1 . . . . . . . . 5513 1 1166 . 1 1 97 97 VAL CG1 C 13 18.281 0.2 . 2 . . . . . . . . 5513 1 1167 . 1 1 97 97 VAL CG2 C 13 19.537 0.2 . 2 . . . . . . . . 5513 1 1168 . 1 1 97 97 VAL N N 15 122.937 0.1 . 1 . . . . . . . . 5513 1 1169 . 1 1 98 98 GLY H H 1 8.228 0.05 . 1 . . . . . . . . 5513 1 1170 . 1 1 98 98 GLY HA2 H 1 4.156 0.05 . 1 . . . . . . . . 5513 1 1171 . 1 1 98 98 GLY HA3 H 1 3.858 0.05 . 1 . . . . . . . . 5513 1 1172 . 1 1 98 98 GLY C C 13 168.955 0.2 . 1 . . . . . . . . 5513 1 1173 . 1 1 98 98 GLY CA C 13 43.418 0.2 . 1 . . . . . . . . 5513 1 1174 . 1 1 98 98 GLY N N 15 109.188 0.1 . 1 . . . . . . . . 5513 1 1175 . 1 1 99 99 LYS H H 1 8.534 0.05 . 1 . . . . . . . . 5513 1 1176 . 1 1 99 99 LYS HA H 1 5.580 0.05 . 1 . . . . . . . . 5513 1 1177 . 1 1 99 99 LYS HB2 H 1 1.736 0.05 . 2 . . . . . . . . 5513 1 1178 . 1 1 99 99 LYS HB3 H 1 1.635 0.05 . 2 . . . . . . . . 5513 1 1179 . 1 1 99 99 LYS HG2 H 1 1.328 0.05 . 1 . . . . . . . . 5513 1 1180 . 1 1 99 99 LYS HG3 H 1 1.328 0.05 . 1 . . . . . . . . 5513 1 1181 . 1 1 99 99 LYS HD2 H 1 1.590 0.05 . 1 . . . . . . . . 5513 1 1182 . 1 1 99 99 LYS HD3 H 1 1.590 0.05 . 1 . . . . . . . . 5513 1 1183 . 1 1 99 99 LYS HE2 H 1 2.937 0.05 . 1 . . . . . . . . 5513 1 1184 . 1 1 99 99 LYS HE3 H 1 2.937 0.05 . 1 . . . . . . . . 5513 1 1185 . 1 1 99 99 LYS C C 13 172.966 0.2 . 1 . . . . . . . . 5513 1 1186 . 1 1 99 99 LYS CA C 13 52.896 0.2 . 1 . . . . . . . . 5513 1 1187 . 1 1 99 99 LYS CB C 13 34.416 0.2 . 1 . . . . . . . . 5513 1 1188 . 1 1 99 99 LYS CG C 13 22.501 0.2 . 1 . . . . . . . . 5513 1 1189 . 1 1 99 99 LYS CD C 13 27.025 0.2 . 1 . . . . . . . . 5513 1 1190 . 1 1 99 99 LYS CE C 13 40.029 0.2 . 1 . . . . . . . . 5513 1 1191 . 1 1 99 99 LYS N N 15 119.798 0.1 . 1 . . . . . . . . 5513 1 1192 . 1 1 100 100 VAL H H 1 8.701 0.05 . 1 . . . . . . . . 5513 1 1193 . 1 1 100 100 VAL HA H 1 4.832 0.05 . 1 . . . . . . . . 5513 1 1194 . 1 1 100 100 VAL HB H 1 2.067 0.05 . 1 . . . . . . . . 5513 1 1195 . 1 1 100 100 VAL HG11 H 1 0.684 0.05 . 2 . . . . . . . . 5513 1 1196 . 1 1 100 100 VAL HG12 H 1 0.684 0.05 . 2 . . . . . . . . 5513 1 1197 . 1 1 100 100 VAL HG13 H 1 0.684 0.05 . 2 . . . . . . . . 5513 1 1198 . 1 1 100 100 VAL HG21 H 1 0.759 0.05 . 2 . . . . . . . . 5513 1 1199 . 1 1 100 100 VAL HG22 H 1 0.759 0.05 . 2 . . . . . . . . 5513 1 1200 . 1 1 100 100 VAL HG23 H 1 0.759 0.05 . 2 . . . . . . . . 5513 1 1201 . 1 1 100 100 VAL C C 13 172.295 0.2 . 1 . . . . . . . . 5513 1 1202 . 1 1 100 100 VAL CA C 13 56.673 0.2 . 1 . . . . . . . . 5513 1 1203 . 1 1 100 100 VAL CB C 13 33.868 0.2 . 1 . . . . . . . . 5513 1 1204 . 1 1 100 100 VAL CG1 C 13 17.626 0.2 . 2 . . . . . . . . 5513 1 1205 . 1 1 100 100 VAL CG2 C 13 20.948 0.2 . 2 . . . . . . . . 5513 1 1206 . 1 1 100 100 VAL N N 15 114.091 0.1 . 1 . . . . . . . . 5513 1 1207 . 1 1 101 101 THR H H 1 8.898 0.05 . 1 . . . . . . . . 5513 1 1208 . 1 1 101 101 THR HA H 1 5.119 0.05 . 1 . . . . . . . . 5513 1 1209 . 1 1 101 101 THR HB H 1 4.774 0.05 . 1 . . . . . . . . 5513 1 1210 . 1 1 101 101 THR HG21 H 1 1.204 0.05 . 1 . . . . . . . . 5513 1 1211 . 1 1 101 101 THR HG22 H 1 1.204 0.05 . 1 . . . . . . . . 5513 1 1212 . 1 1 101 101 THR HG23 H 1 1.204 0.05 . 1 . . . . . . . . 5513 1 1213 . 1 1 101 101 THR C C 13 175.231 0.2 . 1 . . . . . . . . 5513 1 1214 . 1 1 101 101 THR CA C 13 57.647 0.2 . 1 . . . . . . . . 5513 1 1215 . 1 1 101 101 THR CB C 13 69.850 0.2 . 1 . . . . . . . . 5513 1 1216 . 1 1 101 101 THR CG2 C 13 19.803 0.2 . 1 . . . . . . . . 5513 1 1217 . 1 1 101 101 THR N N 15 111.699 0.1 . 1 . . . . . . . . 5513 1 1218 . 1 1 102 102 ARG H H 1 8.776 0.05 . 1 . . . . . . . . 5513 1 1219 . 1 1 102 102 ARG HA H 1 3.820 0.05 . 1 . . . . . . . . 5513 1 1220 . 1 1 102 102 ARG HB2 H 1 1.944 0.05 . 2 . . . . . . . . 5513 1 1221 . 1 1 102 102 ARG HB3 H 1 1.545 0.05 . 2 . . . . . . . . 5513 1 1222 . 1 1 102 102 ARG HG2 H 1 1.614 0.05 . 1 . . . . . . . . 5513 1 1223 . 1 1 102 102 ARG HG3 H 1 1.614 0.05 . 1 . . . . . . . . 5513 1 1224 . 1 1 102 102 ARG HD2 H 1 3.214 0.05 . 1 . . . . . . . . 5513 1 1225 . 1 1 102 102 ARG HD3 H 1 3.214 0.05 . 1 . . . . . . . . 5513 1 1226 . 1 1 102 102 ARG C C 13 176.845 0.2 . 1 . . . . . . . . 5513 1 1227 . 1 1 102 102 ARG CA C 13 58.144 0.2 . 1 . . . . . . . . 5513 1 1228 . 1 1 102 102 ARG CB C 13 27.294 0.2 . 1 . . . . . . . . 5513 1 1229 . 1 1 102 102 ARG CG C 13 26.935 0.2 . 1 . . . . . . . . 5513 1 1230 . 1 1 102 102 ARG CD C 13 40.603 0.2 . 1 . . . . . . . . 5513 1 1231 . 1 1 102 102 ARG N N 15 121.194 0.1 . 1 . . . . . . . . 5513 1 1232 . 1 1 103 103 LYS H H 1 8.342 0.05 . 1 . . . . . . . . 5513 1 1233 . 1 1 103 103 LYS HA H 1 4.164 0.05 . 1 . . . . . . . . 5513 1 1234 . 1 1 103 103 LYS HB2 H 1 1.804 0.05 . 2 . . . . . . . . 5513 1 1235 . 1 1 103 103 LYS HB3 H 1 1.868 0.05 . 2 . . . . . . . . 5513 1 1236 . 1 1 103 103 LYS HG2 H 1 1.499 0.05 . 1 . . . . . . . . 5513 1 1237 . 1 1 103 103 LYS HG3 H 1 1.499 0.05 . 1 . . . . . . . . 5513 1 1238 . 1 1 103 103 LYS HD2 H 1 1.714 0.05 . 1 . . . . . . . . 5513 1 1239 . 1 1 103 103 LYS HD3 H 1 1.714 0.05 . 1 . . . . . . . . 5513 1 1240 . 1 1 103 103 LYS HE2 H 1 3.007 0.05 . 1 . . . . . . . . 5513 1 1241 . 1 1 103 103 LYS HE3 H 1 3.007 0.05 . 1 . . . . . . . . 5513 1 1242 . 1 1 103 103 LYS C C 13 177.108 0.2 . 1 . . . . . . . . 5513 1 1243 . 1 1 103 103 LYS CA C 13 56.961 0.2 . 1 . . . . . . . . 5513 1 1244 . 1 1 103 103 LYS CB C 13 29.955 0.2 . 1 . . . . . . . . 5513 1 1245 . 1 1 103 103 LYS CG C 13 22.803 0.2 . 1 . . . . . . . . 5513 1 1246 . 1 1 103 103 LYS CD C 13 26.866 0.2 . 1 . . . . . . . . 5513 1 1247 . 1 1 103 103 LYS CE C 13 40.332 0.2 . 1 . . . . . . . . 5513 1 1248 . 1 1 103 103 LYS N N 15 120.049 0.1 . 1 . . . . . . . . 5513 1 1249 . 1 1 104 104 GLN H H 1 7.837 0.05 . 1 . . . . . . . . 5513 1 1250 . 1 1 104 104 GLN HA H 1 4.126 0.05 . 1 . . . . . . . . 5513 1 1251 . 1 1 104 104 GLN HB2 H 1 2.228 0.05 . 1 . . . . . . . . 5513 1 1252 . 1 1 104 104 GLN HB3 H 1 2.228 0.05 . 1 . . . . . . . . 5513 1 1253 . 1 1 104 104 GLN HG2 H 1 2.467 0.05 . 1 . . . . . . . . 5513 1 1254 . 1 1 104 104 GLN HG3 H 1 2.467 0.05 . 1 . . . . . . . . 5513 1 1255 . 1 1 104 104 GLN HE21 H 1 6.697 0.05 . 2 . . . . . . . . 5513 1 1256 . 1 1 104 104 GLN HE22 H 1 7.934 0.05 . 2 . . . . . . . . 5513 1 1257 . 1 1 104 104 GLN C C 13 177.465 0.2 . 1 . . . . . . . . 5513 1 1258 . 1 1 104 104 GLN CA C 13 57.368 0.2 . 1 . . . . . . . . 5513 1 1259 . 1 1 104 104 GLN CB C 13 27.669 0.2 . 1 . . . . . . . . 5513 1 1260 . 1 1 104 104 GLN CG C 13 33.916 0.2 . 1 . . . . . . . . 5513 1 1261 . 1 1 104 104 GLN N N 15 119.217 0.1 . 1 . . . . . . . . 5513 1 1262 . 1 1 104 104 GLN NE2 N 15 112.885 0.1 . 1 . . . . . . . . 5513 1 1263 . 1 1 105 105 ILE H H 1 8.115 0.05 . 1 . . . . . . . . 5513 1 1264 . 1 1 105 105 ILE HA H 1 3.612 0.05 . 1 . . . . . . . . 5513 1 1265 . 1 1 105 105 ILE HB H 1 2.444 0.05 . 1 . . . . . . . . 5513 1 1266 . 1 1 105 105 ILE HG12 H 1 1.493 0.05 . 1 . . . . . . . . 5513 1 1267 . 1 1 105 105 ILE HG13 H 1 1.493 0.05 . 1 . . . . . . . . 5513 1 1268 . 1 1 105 105 ILE HG21 H 1 0.934 0.05 . 1 . . . . . . . . 5513 1 1269 . 1 1 105 105 ILE HG22 H 1 0.934 0.05 . 1 . . . . . . . . 5513 1 1270 . 1 1 105 105 ILE HG23 H 1 0.934 0.05 . 1 . . . . . . . . 5513 1 1271 . 1 1 105 105 ILE HD11 H 1 0.618 0.05 . 1 . . . . . . . . 5513 1 1272 . 1 1 105 105 ILE HD12 H 1 0.618 0.05 . 1 . . . . . . . . 5513 1 1273 . 1 1 105 105 ILE HD13 H 1 0.618 0.05 . 1 . . . . . . . . 5513 1 1274 . 1 1 105 105 ILE C C 13 175.289 0.2 . 1 . . . . . . . . 5513 1 1275 . 1 1 105 105 ILE CA C 13 61.621 0.2 . 1 . . . . . . . . 5513 1 1276 . 1 1 105 105 ILE CB C 13 33.298 0.2 . 1 . . . . . . . . 5513 1 1277 . 1 1 105 105 ILE CG1 C 13 25.653 0.2 . 1 . . . . . . . . 5513 1 1278 . 1 1 105 105 ILE CG2 C 13 15.948 0.2 . 1 . . . . . . . . 5513 1 1279 . 1 1 105 105 ILE CD1 C 13 9.342 0.2 . 1 . . . . . . . . 5513 1 1280 . 1 1 105 105 ILE N N 15 118.877 0.1 . 1 . . . . . . . . 5513 1 1281 . 1 1 106 106 GLU H H 1 8.383 0.05 . 1 . . . . . . . . 5513 1 1282 . 1 1 106 106 GLU HA H 1 3.871 0.05 . 1 . . . . . . . . 5513 1 1283 . 1 1 106 106 GLU HB2 H 1 2.155 0.05 . 1 . . . . . . . . 5513 1 1284 . 1 1 106 106 GLU HB3 H 1 2.155 0.05 . 1 . . . . . . . . 5513 1 1285 . 1 1 106 106 GLU HG2 H 1 2.490 0.05 . 1 . . . . . . . . 5513 1 1286 . 1 1 106 106 GLU HG3 H 1 2.490 0.05 . 1 . . . . . . . . 5513 1 1287 . 1 1 106 106 GLU C C 13 175.730 0.2 . 1 . . . . . . . . 5513 1 1288 . 1 1 106 106 GLU CA C 13 58.398 0.2 . 1 . . . . . . . . 5513 1 1289 . 1 1 106 106 GLU CB C 13 27.940 0.2 . 1 . . . . . . . . 5513 1 1290 . 1 1 106 106 GLU CG C 13 34.651 0.2 . 1 . . . . . . . . 5513 1 1291 . 1 1 106 106 GLU N N 15 121.609 0.1 . 1 . . . . . . . . 5513 1 1292 . 1 1 107 107 GLU H H 1 7.994 0.05 . 1 . . . . . . . . 5513 1 1293 . 1 1 107 107 GLU HA H 1 4.022 0.05 . 1 . . . . . . . . 5513 1 1294 . 1 1 107 107 GLU HB2 H 1 2.160 0.05 . 2 . . . . . . . . 5513 1 1295 . 1 1 107 107 GLU HB3 H 1 2.220 0.05 . 2 . . . . . . . . 5513 1 1296 . 1 1 107 107 GLU HG2 H 1 2.500 0.05 . 1 . . . . . . . . 5513 1 1297 . 1 1 107 107 GLU HG3 H 1 2.500 0.05 . 1 . . . . . . . . 5513 1 1298 . 1 1 107 107 GLU C C 13 177.945 0.2 . 1 . . . . . . . . 5513 1 1299 . 1 1 107 107 GLU CA C 13 57.574 0.2 . 1 . . . . . . . . 5513 1 1300 . 1 1 107 107 GLU CB C 13 27.809 0.2 . 1 . . . . . . . . 5513 1 1301 . 1 1 107 107 GLU CG C 13 34.257 0.2 . 1 . . . . . . . . 5513 1 1302 . 1 1 107 107 GLU N N 15 118.004 0.1 . 1 . . . . . . . . 5513 1 1303 . 1 1 108 108 ILE H H 1 8.222 0.05 . 1 . . . . . . . . 5513 1 1304 . 1 1 108 108 ILE HA H 1 3.639 0.05 . 1 . . . . . . . . 5513 1 1305 . 1 1 108 108 ILE HB H 1 1.870 0.05 . 1 . . . . . . . . 5513 1 1306 . 1 1 108 108 ILE HG12 H 1 0.956 0.05 . 2 . . . . . . . . 5513 1 1307 . 1 1 108 108 ILE HG13 H 1 2.068 0.05 . 2 . . . . . . . . 5513 1 1308 . 1 1 108 108 ILE HG21 H 1 0.861 0.05 . 1 . . . . . . . . 5513 1 1309 . 1 1 108 108 ILE HG22 H 1 0.861 0.05 . 1 . . . . . . . . 5513 1 1310 . 1 1 108 108 ILE HG23 H 1 0.861 0.05 . 1 . . . . . . . . 5513 1 1311 . 1 1 108 108 ILE HD11 H 1 0.637 0.05 . 1 . . . . . . . . 5513 1 1312 . 1 1 108 108 ILE HD12 H 1 0.637 0.05 . 1 . . . . . . . . 5513 1 1313 . 1 1 108 108 ILE HD13 H 1 0.637 0.05 . 1 . . . . . . . . 5513 1 1314 . 1 1 108 108 ILE C C 13 175.421 0.2 . 1 . . . . . . . . 5513 1 1315 . 1 1 108 108 ILE CA C 13 63.858 0.2 . 1 . . . . . . . . 5513 1 1316 . 1 1 108 108 ILE CB C 13 36.541 0.2 . 1 . . . . . . . . 5513 1 1317 . 1 1 108 108 ILE CG1 C 13 28.021 0.2 . 1 . . . . . . . . 5513 1 1318 . 1 1 108 108 ILE CG2 C 13 15.737 0.2 . 1 . . . . . . . . 5513 1 1319 . 1 1 108 108 ILE CD1 C 13 11.405 0.2 . 1 . . . . . . . . 5513 1 1320 . 1 1 108 108 ILE N N 15 121.036 0.1 . 1 . . . . . . . . 5513 1 1321 . 1 1 109 109 ALA H H 1 8.968 0.05 . 1 . . . . . . . . 5513 1 1322 . 1 1 109 109 ALA HA H 1 3.659 0.05 . 1 . . . . . . . . 5513 1 1323 . 1 1 109 109 ALA HB1 H 1 1.350 0.05 . 1 . . . . . . . . 5513 1 1324 . 1 1 109 109 ALA HB2 H 1 1.350 0.05 . 1 . . . . . . . . 5513 1 1325 . 1 1 109 109 ALA HB3 H 1 1.350 0.05 . 1 . . . . . . . . 5513 1 1326 . 1 1 109 109 ALA C C 13 176.409 0.2 . 1 . . . . . . . . 5513 1 1327 . 1 1 109 109 ALA CA C 13 54.014 0.2 . 1 . . . . . . . . 5513 1 1328 . 1 1 109 109 ALA CB C 13 16.857 0.2 . 1 . . . . . . . . 5513 1 1329 . 1 1 109 109 ALA N N 15 122.349 0.1 . 1 . . . . . . . . 5513 1 1330 . 1 1 110 110 LYS H H 1 8.370 0.05 . 1 . . . . . . . . 5513 1 1331 . 1 1 110 110 LYS HA H 1 3.900 0.05 . 1 . . . . . . . . 5513 1 1332 . 1 1 110 110 LYS HB2 H 1 1.949 0.05 . 1 . . . . . . . . 5513 1 1333 . 1 1 110 110 LYS HB3 H 1 1.949 0.05 . 1 . . . . . . . . 5513 1 1334 . 1 1 110 110 LYS HG2 H 1 1.476 0.05 . 1 . . . . . . . . 5513 1 1335 . 1 1 110 110 LYS HG3 H 1 1.476 0.05 . 1 . . . . . . . . 5513 1 1336 . 1 1 110 110 LYS HD2 H 1 1.765 0.05 . 1 . . . . . . . . 5513 1 1337 . 1 1 110 110 LYS HD3 H 1 1.765 0.05 . 1 . . . . . . . . 5513 1 1338 . 1 1 110 110 LYS HE2 H 1 2.978 0.05 . 1 . . . . . . . . 5513 1 1339 . 1 1 110 110 LYS HE3 H 1 2.978 0.05 . 1 . . . . . . . . 5513 1 1340 . 1 1 110 110 LYS C C 13 177.586 0.2 . 1 . . . . . . . . 5513 1 1341 . 1 1 110 110 LYS CA C 13 58.422 0.2 . 1 . . . . . . . . 5513 1 1342 . 1 1 110 110 LYS CB C 13 30.664 0.2 . 1 . . . . . . . . 5513 1 1343 . 1 1 110 110 LYS CG C 13 24.481 0.2 . 1 . . . . . . . . 5513 1 1344 . 1 1 110 110 LYS CD C 13 27.283 0.2 . 1 . . . . . . . . 5513 1 1345 . 1 1 110 110 LYS CE C 13 40.258 0.2 . 1 . . . . . . . . 5513 1 1346 . 1 1 110 110 LYS N N 15 115.975 0.1 . 1 . . . . . . . . 5513 1 1347 . 1 1 111 111 THR H H 1 7.885 0.05 . 1 . . . . . . . . 5513 1 1348 . 1 1 111 111 THR HA H 1 3.999 0.05 . 1 . . . . . . . . 5513 1 1349 . 1 1 111 111 THR HB H 1 4.370 0.05 . 1 . . . . . . . . 5513 1 1350 . 1 1 111 111 THR HG21 H 1 1.287 0.05 . 1 . . . . . . . . 5513 1 1351 . 1 1 111 111 THR HG22 H 1 1.287 0.05 . 1 . . . . . . . . 5513 1 1352 . 1 1 111 111 THR HG23 H 1 1.287 0.05 . 1 . . . . . . . . 5513 1 1353 . 1 1 111 111 THR C C 13 173.809 0.2 . 1 . . . . . . . . 5513 1 1354 . 1 1 111 111 THR CA C 13 64.294 0.2 . 1 . . . . . . . . 5513 1 1355 . 1 1 111 111 THR CB C 13 67.173 0.2 . 1 . . . . . . . . 5513 1 1356 . 1 1 111 111 THR CG2 C 13 19.792 0.2 . 1 . . . . . . . . 5513 1 1357 . 1 1 111 111 THR N N 15 115.200 0.1 . 1 . . . . . . . . 5513 1 1358 . 1 1 112 112 LYS H H 1 8.220 0.05 . 1 . . . . . . . . 5513 1 1359 . 1 1 112 112 LYS HA H 1 4.466 0.05 . 1 . . . . . . . . 5513 1 1360 . 1 1 112 112 LYS HB2 H 1 1.997 0.05 . 2 . . . . . . . . 5513 1 1361 . 1 1 112 112 LYS HB3 H 1 1.858 0.05 . 2 . . . . . . . . 5513 1 1362 . 1 1 112 112 LYS HG2 H 1 1.339 0.05 . 1 . . . . . . . . 5513 1 1363 . 1 1 112 112 LYS HG3 H 1 1.339 0.05 . 1 . . . . . . . . 5513 1 1364 . 1 1 112 112 LYS HD2 H 1 1.685 0.05 . 1 . . . . . . . . 5513 1 1365 . 1 1 112 112 LYS HD3 H 1 1.685 0.05 . 1 . . . . . . . . 5513 1 1366 . 1 1 112 112 LYS HE2 H 1 2.728 0.05 . 1 . . . . . . . . 5513 1 1367 . 1 1 112 112 LYS HE3 H 1 2.728 0.05 . 1 . . . . . . . . 5513 1 1368 . 1 1 112 112 LYS C C 13 174.649 0.2 . 1 . . . . . . . . 5513 1 1369 . 1 1 112 112 LYS CA C 13 51.758 0.2 . 1 . . . . . . . . 5513 1 1370 . 1 1 112 112 LYS CB C 13 28.102 0.2 . 1 . . . . . . . . 5513 1 1371 . 1 1 112 112 LYS CG C 13 23.712 0.2 . 1 . . . . . . . . 5513 1 1372 . 1 1 112 112 LYS CD C 13 28.045 0.2 . 1 . . . . . . . . 5513 1 1373 . 1 1 112 112 LYS CE C 13 37.672 0.2 . 1 . . . . . . . . 5513 1 1374 . 1 1 112 112 LYS N N 15 115.204 0.1 . 1 . . . . . . . . 5513 1 1375 . 1 1 113 113 MET H H 1 7.854 0.05 . 1 . . . . . . . . 5513 1 1376 . 1 1 113 113 MET HA H 1 4.295 0.05 . 1 . . . . . . . . 5513 1 1377 . 1 1 113 113 MET HB2 H 1 2.167 0.05 . 1 . . . . . . . . 5513 1 1378 . 1 1 113 113 MET HB3 H 1 2.167 0.05 . 1 . . . . . . . . 5513 1 1379 . 1 1 113 113 MET HG2 H 1 2.772 0.05 . 1 . . . . . . . . 5513 1 1380 . 1 1 113 113 MET HG3 H 1 2.772 0.05 . 1 . . . . . . . . 5513 1 1381 . 1 1 113 113 MET HE1 H 1 2.150 0.05 . 1 . . . . . . . . 5513 1 1382 . 1 1 113 113 MET HE2 H 1 2.150 0.05 . 1 . . . . . . . . 5513 1 1383 . 1 1 113 113 MET HE3 H 1 2.150 0.05 . 1 . . . . . . . . 5513 1 1384 . 1 1 113 113 MET C C 13 172.237 0.2 . 1 . . . . . . . . 5513 1 1385 . 1 1 113 113 MET CA C 13 60.058 0.2 . 1 . . . . . . . . 5513 1 1386 . 1 1 113 113 MET CB C 13 28.560 0.2 . 1 . . . . . . . . 5513 1 1387 . 1 1 113 113 MET CG C 13 30.476 0.2 . 1 . . . . . . . . 5513 1 1388 . 1 1 113 113 MET CE C 13 14.637 0.2 . 1 . . . . . . . . 5513 1 1389 . 1 1 113 113 MET N N 15 121.039 0.1 . 1 . . . . . . . . 5513 1 1390 . 1 1 114 114 PRO HA H 1 4.489 0.05 . 1 . . . . . . . . 5513 1 1391 . 1 1 114 114 PRO HB2 H 1 1.875 0.05 . 2 . . . . . . . . 5513 1 1392 . 1 1 114 114 PRO HB3 H 1 2.425 0.05 . 2 . . . . . . . . 5513 1 1393 . 1 1 114 114 PRO HG2 H 1 2.103 0.05 . 1 . . . . . . . . 5513 1 1394 . 1 1 114 114 PRO HG3 H 1 2.103 0.05 . 1 . . . . . . . . 5513 1 1395 . 1 1 114 114 PRO HD2 H 1 3.715 0.05 . 1 . . . . . . . . 5513 1 1396 . 1 1 114 114 PRO HD3 H 1 3.715 0.05 . 1 . . . . . . . . 5513 1 1397 . 1 1 114 114 PRO C C 13 175.970 0.2 . 1 . . . . . . . . 5513 1 1398 . 1 1 114 114 PRO CA C 13 63.985 0.2 . 1 . . . . . . . . 5513 1 1399 . 1 1 114 114 PRO CB C 13 29.319 0.2 . 1 . . . . . . . . 5513 1 1400 . 1 1 114 114 PRO CG C 13 25.927 0.2 . 1 . . . . . . . . 5513 1 1401 . 1 1 114 114 PRO CD C 13 48.740 0.2 . 1 . . . . . . . . 5513 1 1402 . 1 1 115 115 ASP H H 1 7.984 0.05 . 1 . . . . . . . . 5513 1 1403 . 1 1 115 115 ASP HA H 1 4.754 0.05 . 1 . . . . . . . . 5513 1 1404 . 1 1 115 115 ASP HB2 H 1 2.942 0.05 . 2 . . . . . . . . 5513 1 1405 . 1 1 115 115 ASP HB3 H 1 2.581 0.05 . 2 . . . . . . . . 5513 1 1406 . 1 1 115 115 ASP C C 13 174.833 0.2 . 1 . . . . . . . . 5513 1 1407 . 1 1 115 115 ASP CA C 13 53.003 0.2 . 1 . . . . . . . . 5513 1 1408 . 1 1 115 115 ASP CB C 13 40.185 0.2 . 1 . . . . . . . . 5513 1 1409 . 1 1 115 115 ASP N N 15 115.501 0.1 . 1 . . . . . . . . 5513 1 1410 . 1 1 116 116 LEU H H 1 7.809 0.05 . 1 . . . . . . . . 5513 1 1411 . 1 1 116 116 LEU HA H 1 4.452 0.05 . 1 . . . . . . . . 5513 1 1412 . 1 1 116 116 LEU HB2 H 1 1.811 0.05 . 2 . . . . . . . . 5513 1 1413 . 1 1 116 116 LEU HB3 H 1 1.519 0.05 . 2 . . . . . . . . 5513 1 1414 . 1 1 116 116 LEU HG H 1 0.840 0.05 . 1 . . . . . . . . 5513 1 1415 . 1 1 116 116 LEU HD11 H 1 0.907 0.05 . 1 . . . . . . . . 5513 1 1416 . 1 1 116 116 LEU HD12 H 1 0.907 0.05 . 1 . . . . . . . . 5513 1 1417 . 1 1 116 116 LEU HD13 H 1 0.907 0.05 . 1 . . . . . . . . 5513 1 1418 . 1 1 116 116 LEU HD21 H 1 0.907 0.05 . 1 . . . . . . . . 5513 1 1419 . 1 1 116 116 LEU HD22 H 1 0.907 0.05 . 1 . . . . . . . . 5513 1 1420 . 1 1 116 116 LEU HD23 H 1 0.907 0.05 . 1 . . . . . . . . 5513 1 1421 . 1 1 116 116 LEU C C 13 174.564 0.2 . 1 . . . . . . . . 5513 1 1422 . 1 1 116 116 LEU CA C 13 52.454 0.2 . 1 . . . . . . . . 5513 1 1423 . 1 1 116 116 LEU CB C 13 41.859 0.2 . 1 . . . . . . . . 5513 1 1424 . 1 1 116 116 LEU CG C 13 23.914 0.2 . 1 . . . . . . . . 5513 1 1425 . 1 1 116 116 LEU CD1 C 13 20.448 0.2 . 1 . . . . . . . . 5513 1 1426 . 1 1 116 116 LEU CD2 C 13 20.448 0.2 . 1 . . . . . . . . 5513 1 1427 . 1 1 116 116 LEU N N 15 118.675 0.1 . 1 . . . . . . . . 5513 1 1428 . 1 1 117 117 ASN H H 1 8.386 0.05 . 1 . . . . . . . . 5513 1 1429 . 1 1 117 117 ASN HA H 1 4.554 0.05 . 1 . . . . . . . . 5513 1 1430 . 1 1 117 117 ASN HB2 H 1 3.014 0.05 . 2 . . . . . . . . 5513 1 1431 . 1 1 117 117 ASN HB3 H 1 2.718 0.05 . 2 . . . . . . . . 5513 1 1432 . 1 1 117 117 ASN HD21 H 1 7.564 0.05 . 2 . . . . . . . . 5513 1 1433 . 1 1 117 117 ASN HD22 H 1 6.841 0.05 . 2 . . . . . . . . 5513 1 1434 . 1 1 117 117 ASN C C 13 171.841 0.2 . 1 . . . . . . . . 5513 1 1435 . 1 1 117 117 ASN CA C 13 51.295 0.2 . 1 . . . . . . . . 5513 1 1436 . 1 1 117 117 ASN CB C 13 35.176 0.2 . 1 . . . . . . . . 5513 1 1437 . 1 1 117 117 ASN N N 15 117.356 0.1 . 1 . . . . . . . . 5513 1 1438 . 1 1 117 117 ASN ND2 N 15 112.044 0.1 . 1 . . . . . . . . 5513 1 1439 . 1 1 118 118 ALA H H 1 7.639 0.05 . 1 . . . . . . . . 5513 1 1440 . 1 1 118 118 ALA HA H 1 4.563 0.05 . 1 . . . . . . . . 5513 1 1441 . 1 1 118 118 ALA HB1 H 1 1.345 0.05 . 1 . . . . . . . . 5513 1 1442 . 1 1 118 118 ALA HB2 H 1 1.345 0.05 . 1 . . . . . . . . 5513 1 1443 . 1 1 118 118 ALA HB3 H 1 1.345 0.05 . 1 . . . . . . . . 5513 1 1444 . 1 1 118 118 ALA C C 13 175.142 0.2 . 1 . . . . . . . . 5513 1 1445 . 1 1 118 118 ALA CA C 13 49.034 0.2 . 1 . . . . . . . . 5513 1 1446 . 1 1 118 118 ALA CB C 13 19.126 0.2 . 1 . . . . . . . . 5513 1 1447 . 1 1 118 118 ALA N N 15 119.894 0.1 . 1 . . . . . . . . 5513 1 1448 . 1 1 119 119 ASN H H 1 8.834 0.05 . 1 . . . . . . . . 5513 1 1449 . 1 1 119 119 ASN HA H 1 4.707 0.05 . 1 . . . . . . . . 5513 1 1450 . 1 1 119 119 ASN HB2 H 1 2.918 0.05 . 2 . . . . . . . . 5513 1 1451 . 1 1 119 119 ASN HB3 H 1 2.869 0.05 . 2 . . . . . . . . 5513 1 1452 . 1 1 119 119 ASN HD21 H 1 7.603 0.05 . 2 . . . . . . . . 5513 1 1453 . 1 1 119 119 ASN HD22 H 1 6.910 0.05 . 2 . . . . . . . . 5513 1 1454 . 1 1 119 119 ASN C C 13 172.437 0.2 . 1 . . . . . . . . 5513 1 1455 . 1 1 119 119 ASN CA C 13 51.560 0.2 . 1 . . . . . . . . 5513 1 1456 . 1 1 119 119 ASN CB C 13 36.914 0.2 . 1 . . . . . . . . 5513 1 1457 . 1 1 119 119 ASN N N 15 117.684 0.1 . 1 . . . . . . . . 5513 1 1458 . 1 1 119 119 ASN ND2 N 15 111.782 0.1 . 1 . . . . . . . . 5513 1 1459 . 1 1 120 120 SER H H 1 7.463 0.05 . 1 . . . . . . . . 5513 1 1460 . 1 1 120 120 SER HA H 1 4.695 0.05 . 1 . . . . . . . . 5513 1 1461 . 1 1 120 120 SER HB2 H 1 4.224 0.05 . 2 . . . . . . . . 5513 1 1462 . 1 1 120 120 SER HB3 H 1 4.038 0.05 . 2 . . . . . . . . 5513 1 1463 . 1 1 120 120 SER C C 13 171.961 0.2 . 1 . . . . . . . . 5513 1 1464 . 1 1 120 120 SER CA C 13 54.665 0.2 . 1 . . . . . . . . 5513 1 1465 . 1 1 120 120 SER CB C 13 64.075 0.2 . 1 . . . . . . . . 5513 1 1466 . 1 1 120 120 SER N N 15 110.350 0.1 . 1 . . . . . . . . 5513 1 1467 . 1 1 121 121 LEU H H 1 9.144 0.05 . 1 . . . . . . . . 5513 1 1468 . 1 1 121 121 LEU HA H 1 4.258 0.05 . 1 . . . . . . . . 5513 1 1469 . 1 1 121 121 LEU HB2 H 1 1.825 0.05 . 2 . . . . . . . . 5513 1 1470 . 1 1 121 121 LEU HB3 H 1 1.617 0.05 . 2 . . . . . . . . 5513 1 1471 . 1 1 121 121 LEU HG H 1 1.601 0.05 . 1 . . . . . . . . 5513 1 1472 . 1 1 121 121 LEU HD11 H 1 0.973 0.05 . 2 . . . . . . . . 5513 1 1473 . 1 1 121 121 LEU HD12 H 1 0.973 0.05 . 2 . . . . . . . . 5513 1 1474 . 1 1 121 121 LEU HD13 H 1 0.973 0.05 . 2 . . . . . . . . 5513 1 1475 . 1 1 121 121 LEU HD21 H 1 0.977 0.05 . 2 . . . . . . . . 5513 1 1476 . 1 1 121 121 LEU HD22 H 1 0.977 0.05 . 2 . . . . . . . . 5513 1 1477 . 1 1 121 121 LEU HD23 H 1 0.977 0.05 . 2 . . . . . . . . 5513 1 1478 . 1 1 121 121 LEU C C 13 176.582 0.2 . 1 . . . . . . . . 5513 1 1479 . 1 1 121 121 LEU CA C 13 55.991 0.2 . 1 . . . . . . . . 5513 1 1480 . 1 1 121 121 LEU CB C 13 39.193 0.2 . 1 . . . . . . . . 5513 1 1481 . 1 1 121 121 LEU CG C 13 25.522 0.2 . 1 . . . . . . . . 5513 1 1482 . 1 1 121 121 LEU CD1 C 13 23.745 0.2 . 2 . . . . . . . . 5513 1 1483 . 1 1 121 121 LEU CD2 C 13 21.692 0.2 . 2 . . . . . . . . 5513 1 1484 . 1 1 121 121 LEU N N 15 124.973 0.1 . 1 . . . . . . . . 5513 1 1485 . 1 1 122 122 GLU H H 1 8.943 0.05 . 1 . . . . . . . . 5513 1 1486 . 1 1 122 122 GLU HA H 1 3.960 0.05 . 1 . . . . . . . . 5513 1 1487 . 1 1 122 122 GLU HB2 H 1 2.106 0.05 . 2 . . . . . . . . 5513 1 1488 . 1 1 122 122 GLU HB3 H 1 1.940 0.05 . 2 . . . . . . . . 5513 1 1489 . 1 1 122 122 GLU HG2 H 1 2.331 0.05 . 2 . . . . . . . . 5513 1 1490 . 1 1 122 122 GLU HG3 H 1 2.368 0.05 . 2 . . . . . . . . 5513 1 1491 . 1 1 122 122 GLU C C 13 177.079 0.2 . 1 . . . . . . . . 5513 1 1492 . 1 1 122 122 GLU CA C 13 58.551 0.2 . 1 . . . . . . . . 5513 1 1493 . 1 1 122 122 GLU CB C 13 26.940 0.2 . 1 . . . . . . . . 5513 1 1494 . 1 1 122 122 GLU CG C 13 34.611 0.2 . 1 . . . . . . . . 5513 1 1495 . 1 1 122 122 GLU N N 15 119.392 0.1 . 1 . . . . . . . . 5513 1 1496 . 1 1 123 123 ALA H H 1 7.997 0.05 . 1 . . . . . . . . 5513 1 1497 . 1 1 123 123 ALA HA H 1 4.154 0.05 . 1 . . . . . . . . 5513 1 1498 . 1 1 123 123 ALA HB1 H 1 1.571 0.05 . 1 . . . . . . . . 5513 1 1499 . 1 1 123 123 ALA HB2 H 1 1.571 0.05 . 1 . . . . . . . . 5513 1 1500 . 1 1 123 123 ALA HB3 H 1 1.571 0.05 . 1 . . . . . . . . 5513 1 1501 . 1 1 123 123 ALA C C 13 178.826 0.2 . 1 . . . . . . . . 5513 1 1502 . 1 1 123 123 ALA CA C 13 52.964 0.2 . 1 . . . . . . . . 5513 1 1503 . 1 1 123 123 ALA CB C 13 16.733 0.2 . 1 . . . . . . . . 5513 1 1504 . 1 1 123 123 ALA N N 15 121.650 0.1 . 1 . . . . . . . . 5513 1 1505 . 1 1 124 124 ALA H H 1 8.094 0.05 . 1 . . . . . . . . 5513 1 1506 . 1 1 124 124 ALA HA H 1 3.969 0.05 . 1 . . . . . . . . 5513 1 1507 . 1 1 124 124 ALA HB1 H 1 1.514 0.05 . 1 . . . . . . . . 5513 1 1508 . 1 1 124 124 ALA HB2 H 1 1.514 0.05 . 1 . . . . . . . . 5513 1 1509 . 1 1 124 124 ALA HB3 H 1 1.514 0.05 . 1 . . . . . . . . 5513 1 1510 . 1 1 124 124 ALA C C 13 177.247 0.2 . 1 . . . . . . . . 5513 1 1511 . 1 1 124 124 ALA CA C 13 53.273 0.2 . 1 . . . . . . . . 5513 1 1512 . 1 1 124 124 ALA CB C 13 17.163 0.2 . 1 . . . . . . . . 5513 1 1513 . 1 1 124 124 ALA N N 15 121.366 0.1 . 1 . . . . . . . . 5513 1 1514 . 1 1 125 125 MET H H 1 9.066 0.05 . 1 . . . . . . . . 5513 1 1515 . 1 1 125 125 MET HA H 1 3.650 0.05 . 1 . . . . . . . . 5513 1 1516 . 1 1 125 125 MET HB2 H 1 2.183 0.05 . 2 . . . . . . . . 5513 1 1517 . 1 1 125 125 MET HB3 H 1 2.238 0.05 . 2 . . . . . . . . 5513 1 1518 . 1 1 125 125 MET HG2 H 1 2.735 0.05 . 1 . . . . . . . . 5513 1 1519 . 1 1 125 125 MET HG3 H 1 2.735 0.05 . 1 . . . . . . . . 5513 1 1520 . 1 1 125 125 MET HE1 H 1 2.105 0.05 . 1 . . . . . . . . 5513 1 1521 . 1 1 125 125 MET HE2 H 1 2.105 0.05 . 1 . . . . . . . . 5513 1 1522 . 1 1 125 125 MET HE3 H 1 2.105 0.05 . 1 . . . . . . . . 5513 1 1523 . 1 1 125 125 MET C C 13 175.774 0.2 . 1 . . . . . . . . 5513 1 1524 . 1 1 125 125 MET CA C 13 58.613 0.2 . 1 . . . . . . . . 5513 1 1525 . 1 1 125 125 MET CB C 13 31.010 0.2 . 1 . . . . . . . . 5513 1 1526 . 1 1 125 125 MET CG C 13 31.089 0.2 . 1 . . . . . . . . 5513 1 1527 . 1 1 125 125 MET CE C 13 14.117 0.2 . 1 . . . . . . . . 5513 1 1528 . 1 1 125 125 MET N N 15 117.600 0.1 . 1 . . . . . . . . 5513 1 1529 . 1 1 126 126 LYS H H 1 7.662 0.05 . 1 . . . . . . . . 5513 1 1530 . 1 1 126 126 LYS HA H 1 4.159 0.05 . 1 . . . . . . . . 5513 1 1531 . 1 1 126 126 LYS HB2 H 1 2.008 0.05 . 1 . . . . . . . . 5513 1 1532 . 1 1 126 126 LYS HB3 H 1 2.008 0.05 . 1 . . . . . . . . 5513 1 1533 . 1 1 126 126 LYS HG2 H 1 1.520 0.05 . 1 . . . . . . . . 5513 1 1534 . 1 1 126 126 LYS HG3 H 1 1.520 0.05 . 1 . . . . . . . . 5513 1 1535 . 1 1 126 126 LYS HD2 H 1 1.677 0.05 . 1 . . . . . . . . 5513 1 1536 . 1 1 126 126 LYS HD3 H 1 1.677 0.05 . 1 . . . . . . . . 5513 1 1537 . 1 1 126 126 LYS HE2 H 1 2.982 0.05 . 1 . . . . . . . . 5513 1 1538 . 1 1 126 126 LYS HE3 H 1 2.982 0.05 . 1 . . . . . . . . 5513 1 1539 . 1 1 126 126 LYS C C 13 178.329 0.2 . 1 . . . . . . . . 5513 1 1540 . 1 1 126 126 LYS CA C 13 57.462 0.2 . 1 . . . . . . . . 5513 1 1541 . 1 1 126 126 LYS CB C 13 30.113 0.2 . 1 . . . . . . . . 5513 1 1542 . 1 1 126 126 LYS CG C 13 23.146 0.2 . 1 . . . . . . . . 5513 1 1543 . 1 1 126 126 LYS CD C 13 27.074 0.2 . 1 . . . . . . . . 5513 1 1544 . 1 1 126 126 LYS CE C 13 40.088 0.2 . 1 . . . . . . . . 5513 1 1545 . 1 1 126 126 LYS N N 15 118.449 0.1 . 1 . . . . . . . . 5513 1 1546 . 1 1 127 127 ILE H H 1 7.553 0.05 . 1 . . . . . . . . 5513 1 1547 . 1 1 127 127 ILE HA H 1 3.846 0.05 . 1 . . . . . . . . 5513 1 1548 . 1 1 127 127 ILE HB H 1 2.072 0.05 . 1 . . . . . . . . 5513 1 1549 . 1 1 127 127 ILE HG12 H 1 1.207 0.05 . 2 . . . . . . . . 5513 1 1550 . 1 1 127 127 ILE HG13 H 1 1.190 0.05 . 2 . . . . . . . . 5513 1 1551 . 1 1 127 127 ILE HG21 H 1 0.954 0.05 . 1 . . . . . . . . 5513 1 1552 . 1 1 127 127 ILE HG22 H 1 0.954 0.05 . 1 . . . . . . . . 5513 1 1553 . 1 1 127 127 ILE HG23 H 1 0.954 0.05 . 1 . . . . . . . . 5513 1 1554 . 1 1 127 127 ILE HD11 H 1 0.869 0.05 . 1 . . . . . . . . 5513 1 1555 . 1 1 127 127 ILE HD12 H 1 0.869 0.05 . 1 . . . . . . . . 5513 1 1556 . 1 1 127 127 ILE HD13 H 1 0.869 0.05 . 1 . . . . . . . . 5513 1 1557 . 1 1 127 127 ILE C C 13 177.561 0.2 . 1 . . . . . . . . 5513 1 1558 . 1 1 127 127 ILE CA C 13 63.105 0.2 . 1 . . . . . . . . 5513 1 1559 . 1 1 127 127 ILE CB C 13 36.233 0.2 . 1 . . . . . . . . 5513 1 1560 . 1 1 127 127 ILE CG1 C 13 25.318 0.2 . 1 . . . . . . . . 5513 1 1561 . 1 1 127 127 ILE CG2 C 13 15.293 0.2 . 1 . . . . . . . . 5513 1 1562 . 1 1 127 127 ILE CD1 C 13 11.088 0.2 . 1 . . . . . . . . 5513 1 1563 . 1 1 127 127 ILE N N 15 121.024 0.1 . 1 . . . . . . . . 5513 1 1564 . 1 1 128 128 ILE H H 1 8.233 0.05 . 1 . . . . . . . . 5513 1 1565 . 1 1 128 128 ILE HA H 1 3.695 0.05 . 1 . . . . . . . . 5513 1 1566 . 1 1 128 128 ILE HB H 1 2.249 0.05 . 1 . . . . . . . . 5513 1 1567 . 1 1 128 128 ILE HG12 H 1 1.108 0.05 . 2 . . . . . . . . 5513 1 1568 . 1 1 128 128 ILE HG13 H 1 1.962 0.05 . 2 . . . . . . . . 5513 1 1569 . 1 1 128 128 ILE HG21 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 1570 . 1 1 128 128 ILE HG22 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 1571 . 1 1 128 128 ILE HG23 H 1 0.997 0.05 . 1 . . . . . . . . 5513 1 1572 . 1 1 128 128 ILE HD11 H 1 0.680 0.05 . 1 . . . . . . . . 5513 1 1573 . 1 1 128 128 ILE HD12 H 1 0.680 0.05 . 1 . . . . . . . . 5513 1 1574 . 1 1 128 128 ILE HD13 H 1 0.680 0.05 . 1 . . . . . . . . 5513 1 1575 . 1 1 128 128 ILE C C 13 176.042 0.2 . 1 . . . . . . . . 5513 1 1576 . 1 1 128 128 ILE CA C 13 60.675 0.2 . 1 . . . . . . . . 5513 1 1577 . 1 1 128 128 ILE CB C 13 33.097 0.2 . 1 . . . . . . . . 5513 1 1578 . 1 1 128 128 ILE CG1 C 13 24.487 0.2 . 1 . . . . . . . . 5513 1 1579 . 1 1 128 128 ILE CG2 C 13 17.159 0.2 . 1 . . . . . . . . 5513 1 1580 . 1 1 128 128 ILE CD1 C 13 7.347 0.2 . 1 . . . . . . . . 5513 1 1581 . 1 1 128 128 ILE N N 15 120.985 0.1 . 1 . . . . . . . . 5513 1 1582 . 1 1 129 129 GLU H H 1 9.193 0.05 . 1 . . . . . . . . 5513 1 1583 . 1 1 129 129 GLU HA H 1 3.784 0.05 . 1 . . . . . . . . 5513 1 1584 . 1 1 129 129 GLU HB2 H 1 2.164 0.05 . 2 . . . . . . . . 5513 1 1585 . 1 1 129 129 GLU HB3 H 1 2.208 0.05 . 2 . . . . . . . . 5513 1 1586 . 1 1 129 129 GLU HG2 H 1 2.490 0.05 . 2 . . . . . . . . 5513 1 1587 . 1 1 129 129 GLU HG3 H 1 2.371 0.05 . 2 . . . . . . . . 5513 1 1588 . 1 1 129 129 GLU C C 13 176.791 0.2 . 1 . . . . . . . . 5513 1 1589 . 1 1 129 129 GLU CA C 13 58.617 0.2 . 1 . . . . . . . . 5513 1 1590 . 1 1 129 129 GLU CB C 13 27.553 0.2 . 1 . . . . . . . . 5513 1 1591 . 1 1 129 129 GLU CG C 13 34.196 0.2 . 1 . . . . . . . . 5513 1 1592 . 1 1 129 129 GLU N N 15 121.522 0.1 . 1 . . . . . . . . 5513 1 1593 . 1 1 130 130 GLY H H 1 8.159 0.05 . 1 . . . . . . . . 5513 1 1594 . 1 1 130 130 GLY HA2 H 1 4.055 0.05 . 2 . . . . . . . . 5513 1 1595 . 1 1 130 130 GLY HA3 H 1 3.985 0.05 . 2 . . . . . . . . 5513 1 1596 . 1 1 130 130 GLY C C 13 175.054 0.2 . 1 . . . . . . . . 5513 1 1597 . 1 1 130 130 GLY CA C 13 45.230 0.2 . 1 . . . . . . . . 5513 1 1598 . 1 1 130 130 GLY N N 15 106.955 0.1 . 1 . . . . . . . . 5513 1 1599 . 1 1 131 131 THR H H 1 8.216 0.05 . 1 . . . . . . . . 5513 1 1600 . 1 1 131 131 THR HA H 1 3.959 0.05 . 1 . . . . . . . . 5513 1 1601 . 1 1 131 131 THR HB H 1 4.272 0.05 . 1 . . . . . . . . 5513 1 1602 . 1 1 131 131 THR HG21 H 1 1.129 0.05 . 1 . . . . . . . . 5513 1 1603 . 1 1 131 131 THR HG22 H 1 1.129 0.05 . 1 . . . . . . . . 5513 1 1604 . 1 1 131 131 THR HG23 H 1 1.129 0.05 . 1 . . . . . . . . 5513 1 1605 . 1 1 131 131 THR C C 13 174.405 0.2 . 1 . . . . . . . . 5513 1 1606 . 1 1 131 131 THR CA C 13 64.917 0.2 . 1 . . . . . . . . 5513 1 1607 . 1 1 131 131 THR CB C 13 66.421 0.2 . 1 . . . . . . . . 5513 1 1608 . 1 1 131 131 THR CG2 C 13 19.792 0.2 . 1 . . . . . . . . 5513 1 1609 . 1 1 131 131 THR N N 15 121.569 0.1 . 1 . . . . . . . . 5513 1 1610 . 1 1 132 132 ALA H H 1 8.507 0.05 . 1 . . . . . . . . 5513 1 1611 . 1 1 132 132 ALA HA H 1 3.840 0.05 . 1 . . . . . . . . 5513 1 1612 . 1 1 132 132 ALA HB1 H 1 1.385 0.05 . 1 . . . . . . . . 5513 1 1613 . 1 1 132 132 ALA HB2 H 1 1.385 0.05 . 1 . . . . . . . . 5513 1 1614 . 1 1 132 132 ALA HB3 H 1 1.385 0.05 . 1 . . . . . . . . 5513 1 1615 . 1 1 132 132 ALA C C 13 177.097 0.2 . 1 . . . . . . . . 5513 1 1616 . 1 1 132 132 ALA CA C 13 54.077 0.2 . 1 . . . . . . . . 5513 1 1617 . 1 1 132 132 ALA CB C 13 14.563 0.2 . 1 . . . . . . . . 5513 1 1618 . 1 1 132 132 ALA N N 15 124.823 0.1 . 1 . . . . . . . . 5513 1 1619 . 1 1 133 133 LYS H H 1 8.330 0.05 . 1 . . . . . . . . 5513 1 1620 . 1 1 133 133 LYS HA H 1 4.164 0.05 . 1 . . . . . . . . 5513 1 1621 . 1 1 133 133 LYS HB2 H 1 2.029 0.05 . 1 . . . . . . . . 5513 1 1622 . 1 1 133 133 LYS HB3 H 1 2.029 0.05 . 1 . . . . . . . . 5513 1 1623 . 1 1 133 133 LYS HG2 H 1 1.645 0.05 . 2 . . . . . . . . 5513 1 1624 . 1 1 133 133 LYS HG3 H 1 1.545 0.05 . 2 . . . . . . . . 5513 1 1625 . 1 1 133 133 LYS HD2 H 1 1.714 0.05 . 1 . . . . . . . . 5513 1 1626 . 1 1 133 133 LYS HD3 H 1 1.714 0.05 . 1 . . . . . . . . 5513 1 1627 . 1 1 133 133 LYS HE2 H 1 3.013 0.05 . 1 . . . . . . . . 5513 1 1628 . 1 1 133 133 LYS HE3 H 1 3.013 0.05 . 1 . . . . . . . . 5513 1 1629 . 1 1 133 133 LYS C C 13 179.178 0.2 . 1 . . . . . . . . 5513 1 1630 . 1 1 133 133 LYS CA C 13 57.890 0.2 . 1 . . . . . . . . 5513 1 1631 . 1 1 133 133 LYS CB C 13 30.014 0.2 . 1 . . . . . . . . 5513 1 1632 . 1 1 133 133 LYS CG C 13 23.193 0.2 . 1 . . . . . . . . 5513 1 1633 . 1 1 133 133 LYS CD C 13 27.132 0.2 . 1 . . . . . . . . 5513 1 1634 . 1 1 133 133 LYS CE C 13 40.197 0.2 . 1 . . . . . . . . 5513 1 1635 . 1 1 133 133 LYS N N 15 118.200 0.1 . 1 . . . . . . . . 5513 1 1636 . 1 1 134 134 SER H H 1 8.094 0.05 . 1 . . . . . . . . 5513 1 1637 . 1 1 134 134 SER HA H 1 4.339 0.05 . 1 . . . . . . . . 5513 1 1638 . 1 1 134 134 SER HB2 H 1 4.070 0.05 . 2 . . . . . . . . 5513 1 1639 . 1 1 134 134 SER HB3 H 1 4.106 0.05 . 2 . . . . . . . . 5513 1 1640 . 1 1 134 134 SER C C 13 173.129 0.2 . 1 . . . . . . . . 5513 1 1641 . 1 1 134 134 SER CA C 13 59.508 0.2 . 1 . . . . . . . . 5513 1 1642 . 1 1 134 134 SER CB C 13 61.171 0.2 . 1 . . . . . . . . 5513 1 1643 . 1 1 134 134 SER N N 15 116.407 0.1 . 1 . . . . . . . . 5513 1 1644 . 1 1 135 135 MET H H 1 7.664 0.05 . 1 . . . . . . . . 5513 1 1645 . 1 1 135 135 MET HA H 1 4.434 0.05 . 1 . . . . . . . . 5513 1 1646 . 1 1 135 135 MET HB2 H 1 2.348 0.05 . 2 . . . . . . . . 5513 1 1647 . 1 1 135 135 MET HB3 H 1 2.097 0.05 . 2 . . . . . . . . 5513 1 1648 . 1 1 135 135 MET HG2 H 1 2.589 0.05 . 2 . . . . . . . . 5513 1 1649 . 1 1 135 135 MET HG3 H 1 2.683 0.05 . 2 . . . . . . . . 5513 1 1650 . 1 1 135 135 MET HE1 H 1 2.085 0.05 . 1 . . . . . . . . 5513 1 1651 . 1 1 135 135 MET HE2 H 1 2.085 0.05 . 1 . . . . . . . . 5513 1 1652 . 1 1 135 135 MET HE3 H 1 2.085 0.05 . 1 . . . . . . . . 5513 1 1653 . 1 1 135 135 MET C C 13 173.951 0.2 . 1 . . . . . . . . 5513 1 1654 . 1 1 135 135 MET CA C 13 54.282 0.2 . 1 . . . . . . . . 5513 1 1655 . 1 1 135 135 MET CB C 13 33.272 0.2 . 1 . . . . . . . . 5513 1 1656 . 1 1 135 135 MET CG C 13 29.591 0.2 . 1 . . . . . . . . 5513 1 1657 . 1 1 135 135 MET CE C 13 14.600 0.2 . 1 . . . . . . . . 5513 1 1658 . 1 1 135 135 MET N N 15 118.737 0.1 . 1 . . . . . . . . 5513 1 1659 . 1 1 136 136 GLY H H 1 7.885 0.05 . 1 . . . . . . . . 5513 1 1660 . 1 1 136 136 GLY HA2 H 1 4.246 0.05 . 2 . . . . . . . . 5513 1 1661 . 1 1 136 136 GLY HA3 H 1 3.872 0.05 . 2 . . . . . . . . 5513 1 1662 . 1 1 136 136 GLY C C 13 171.851 0.2 . 1 . . . . . . . . 5513 1 1663 . 1 1 136 136 GLY CA C 13 44.275 0.2 . 1 . . . . . . . . 5513 1 1664 . 1 1 136 136 GLY N N 15 107.363 0.1 . 1 . . . . . . . . 5513 1 1665 . 1 1 137 137 ILE H H 1 7.951 0.05 . 1 . . . . . . . . 5513 1 1666 . 1 1 137 137 ILE HA H 1 4.122 0.05 . 1 . . . . . . . . 5513 1 1667 . 1 1 137 137 ILE HB H 1 1.529 0.05 . 1 . . . . . . . . 5513 1 1668 . 1 1 137 137 ILE HG12 H 1 0.526 0.05 . 2 . . . . . . . . 5513 1 1669 . 1 1 137 137 ILE HG13 H 1 1.491 0.05 . 2 . . . . . . . . 5513 1 1670 . 1 1 137 137 ILE HG21 H 1 0.684 0.05 . 1 . . . . . . . . 5513 1 1671 . 1 1 137 137 ILE HG22 H 1 0.684 0.05 . 1 . . . . . . . . 5513 1 1672 . 1 1 137 137 ILE HG23 H 1 0.684 0.05 . 1 . . . . . . . . 5513 1 1673 . 1 1 137 137 ILE HD11 H 1 0.680 0.05 . 1 . . . . . . . . 5513 1 1674 . 1 1 137 137 ILE HD12 H 1 0.680 0.05 . 1 . . . . . . . . 5513 1 1675 . 1 1 137 137 ILE HD13 H 1 0.680 0.05 . 1 . . . . . . . . 5513 1 1676 . 1 1 137 137 ILE C C 13 172.934 0.2 . 1 . . . . . . . . 5513 1 1677 . 1 1 137 137 ILE CA C 13 58.410 0.2 . 1 . . . . . . . . 5513 1 1678 . 1 1 137 137 ILE CB C 13 37.213 0.2 . 1 . . . . . . . . 5513 1 1679 . 1 1 137 137 ILE CG1 C 13 26.461 0.2 . 1 . . . . . . . . 5513 1 1680 . 1 1 137 137 ILE CG2 C 13 16.559 0.2 . 1 . . . . . . . . 5513 1 1681 . 1 1 137 137 ILE CD1 C 13 11.943 0.2 . 1 . . . . . . . . 5513 1 1682 . 1 1 137 137 ILE N N 15 121.373 0.1 . 1 . . . . . . . . 5513 1 1683 . 1 1 138 138 GLU H H 1 8.332 0.05 . 1 . . . . . . . . 5513 1 1684 . 1 1 138 138 GLU HA H 1 4.300 0.05 . 1 . . . . . . . . 5513 1 1685 . 1 1 138 138 GLU HB2 H 1 1.971 0.05 . 2 . . . . . . . . 5513 1 1686 . 1 1 138 138 GLU HB3 H 1 1.963 0.05 . 2 . . . . . . . . 5513 1 1687 . 1 1 138 138 GLU HG2 H 1 2.174 0.05 . 2 . . . . . . . . 5513 1 1688 . 1 1 138 138 GLU HG3 H 1 2.286 0.05 . 2 . . . . . . . . 5513 1 1689 . 1 1 138 138 GLU C C 13 172.477 0.2 . 1 . . . . . . . . 5513 1 1690 . 1 1 138 138 GLU CA C 13 53.706 0.2 . 1 . . . . . . . . 5513 1 1691 . 1 1 138 138 GLU CB C 13 29.614 0.2 . 1 . . . . . . . . 5513 1 1692 . 1 1 138 138 GLU CG C 13 34.192 0.2 . 1 . . . . . . . . 5513 1 1693 . 1 1 138 138 GLU N N 15 127.705 0.1 . 1 . . . . . . . . 5513 1 1694 . 1 1 139 139 VAL H H 1 8.292 0.05 . 1 . . . . . . . . 5513 1 1695 . 1 1 139 139 VAL HA H 1 4.765 0.05 . 1 . . . . . . . . 5513 1 1696 . 1 1 139 139 VAL HB H 1 1.911 0.05 . 1 . . . . . . . . 5513 1 1697 . 1 1 139 139 VAL HG11 H 1 0.799 0.05 . 2 . . . . . . . . 5513 1 1698 . 1 1 139 139 VAL HG12 H 1 0.799 0.05 . 2 . . . . . . . . 5513 1 1699 . 1 1 139 139 VAL HG13 H 1 0.799 0.05 . 2 . . . . . . . . 5513 1 1700 . 1 1 139 139 VAL HG21 H 1 0.749 0.05 . 2 . . . . . . . . 5513 1 1701 . 1 1 139 139 VAL HG22 H 1 0.749 0.05 . 2 . . . . . . . . 5513 1 1702 . 1 1 139 139 VAL HG23 H 1 0.749 0.05 . 2 . . . . . . . . 5513 1 1703 . 1 1 139 139 VAL C C 13 174.727 0.2 . 1 . . . . . . . . 5513 1 1704 . 1 1 139 139 VAL CA C 13 59.350 0.2 . 1 . . . . . . . . 5513 1 1705 . 1 1 139 139 VAL CB C 13 30.152 0.2 . 1 . . . . . . . . 5513 1 1706 . 1 1 139 139 VAL CG1 C 13 19.410 0.2 . 2 . . . . . . . . 5513 1 1707 . 1 1 139 139 VAL CG2 C 13 19.585 0.2 . 2 . . . . . . . . 5513 1 1708 . 1 1 139 139 VAL N N 15 124.177 0.1 . 1 . . . . . . . . 5513 1 1709 . 1 1 140 140 VAL H H 1 8.906 0.05 . 1 . . . . . . . . 5513 1 1710 . 1 1 140 140 VAL HA H 1 4.529 0.05 . 1 . . . . . . . . 5513 1 1711 . 1 1 140 140 VAL HB H 1 2.226 0.05 . 1 . . . . . . . . 5513 1 1712 . 1 1 140 140 VAL HG11 H 1 0.798 0.05 . 2 . . . . . . . . 5513 1 1713 . 1 1 140 140 VAL HG12 H 1 0.798 0.05 . 2 . . . . . . . . 5513 1 1714 . 1 1 140 140 VAL HG13 H 1 0.798 0.05 . 2 . . . . . . . . 5513 1 1715 . 1 1 140 140 VAL HG21 H 1 0.891 0.05 . 2 . . . . . . . . 5513 1 1716 . 1 1 140 140 VAL HG22 H 1 0.891 0.05 . 2 . . . . . . . . 5513 1 1717 . 1 1 140 140 VAL HG23 H 1 0.891 0.05 . 2 . . . . . . . . 5513 1 1718 . 1 1 140 140 VAL C C 13 172.375 0.2 . 1 . . . . . . . . 5513 1 1719 . 1 1 140 140 VAL CA C 13 58.201 0.2 . 1 . . . . . . . . 5513 1 1720 . 1 1 140 140 VAL CB C 13 32.336 0.2 . 1 . . . . . . . . 5513 1 1721 . 1 1 140 140 VAL CG1 C 13 17.370 0.2 . 2 . . . . . . . . 5513 1 1722 . 1 1 140 140 VAL CG2 C 13 19.737 0.2 . 2 . . . . . . . . 5513 1 1723 . 1 1 140 140 VAL N N 15 124.438 0.1 . 1 . . . . . . . . 5513 1 1724 . 1 1 141 141 ASP H H 1 8.036 0.05 . 1 . . . . . . . . 5513 1 1725 . 1 1 141 141 ASP HA H 1 4.365 0.05 . 1 . . . . . . . . 5513 1 1726 . 1 1 141 141 ASP HB2 H 1 2.730 0.05 . 2 . . . . . . . . 5513 1 1727 . 1 1 141 141 ASP HB3 H 1 2.534 0.05 . 2 . . . . . . . . 5513 1 1728 . 1 1 141 141 ASP C C 13 178.964 0.2 . 1 . . . . . . . . 5513 1 1729 . 1 1 141 141 ASP CA C 13 55.041 0.2 . 1 . . . . . . . . 5513 1 1730 . 1 1 141 141 ASP CB C 13 39.907 0.2 . 1 . . . . . . . . 5513 1 1731 . 1 1 141 141 ASP N N 15 125.714 0.1 . 1 . . . . . . . . 5513 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 5513 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Normal_Conditions _Coupling_constant_list.Spectrometer_frequency_1H 700 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $L11_sample_1 . 5513 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 LYS H . . . . 1 1 3 3 LYS HA . . . 2.7 . . 0.5 . . . . . . . . . . . 5513 1 2 3JHNHA . 1 1 4 4 LYS H . . . . 1 1 4 4 LYS HA . . . 2.7 . . 0.5 . . . . . . . . . . . 5513 1 3 3JHNHA . 1 1 5 5 VAL H . . . . 1 1 5 5 VAL HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 4 3JHNHA . 1 1 6 6 ALA H . . . . 1 1 6 6 ALA HA . . . 4.8 . . 0.5 . . . . . . . . . . . 5513 1 5 3JHNHA . 1 1 7 7 ALA H . . . . 1 1 7 7 ALA HA . . . 3.5 . . 0.5 . . . . . . . . . . . 5513 1 6 3JHNHA . 1 1 8 8 GLN H . . . . 1 1 8 8 GLN HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5513 1 7 3JHNHA . 1 1 9 9 ILE H . . . . 1 1 9 9 ILE HA . . . 9.6 . . 0.5 . . . . . . . . . . . 5513 1 8 3JHNHA . 1 1 10 10 LYS H . . . . 1 1 10 10 LYS HA . . . 5.6 . . 0.5 . . . . . . . . . . . 5513 1 9 3JHNHA . 1 1 11 11 LEU H . . . . 1 1 11 11 LEU HA . . . 4.8 . . 0.5 . . . . . . . . . . . 5513 1 10 3JHNHA . 1 1 12 12 GLN H . . . . 1 1 12 12 GLN HA . . . 6.1 . . 0.5 . . . . . . . . . . . 5513 1 11 3JHNHA . 1 1 13 13 LEU H . . . . 1 1 13 13 LEU HA . . . 5.4 . . 0.5 . . . . . . . . . . . 5513 1 12 3JHNHA . 1 1 15 15 ALA H . . . . 1 1 15 15 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 13 3JHNHA . 1 1 17 17 LYS H . . . . 1 1 17 17 LYS HA . . . 6.6 . . 0.5 . . . . . . . . . . . 5513 1 14 3JHNHA . 1 1 18 18 ALA H . . . . 1 1 18 18 ALA HA . . . 3.7 . . 0.5 . . . . . . . . . . . 5513 1 15 3JHNHA . 1 1 19 19 THR H . . . . 1 1 19 19 THR HA . . . 4.6 . . 0.5 . . . . . . . . . . . 5513 1 16 3JHNHA . 1 1 21 21 ALA H . . . . 1 1 21 21 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 17 3JHNHA . 1 1 24 24 VAL H . . . . 1 1 24 24 VAL HA . . . 2.7 . . 0.5 . . . . . . . . . . . 5513 1 18 3JHNHA . 1 1 27 27 ALA H . . . . 1 1 27 27 ALA HA . . . 3.4 . . 0.5 . . . . . . . . . . . 5513 1 19 3JHNHA . 1 1 28 28 LEU H . . . . 1 1 28 28 LEU HA . . . 2.7 . . 0.5 . . . . . . . . . . . 5513 1 20 3JHNHA . 1 1 30 30 GLN H . . . . 1 1 30 30 GLN HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 21 3JHNHA . 1 1 31 31 HIS H . . . . 1 1 31 31 HIS HA . . . 9 . . 0.5 . . . . . . . . . . . 5513 1 22 3JHNHA . 1 1 33 33 VAL H . . . . 1 1 33 33 VAL HA . . . 4 . . 0.5 . . . . . . . . . . . 5513 1 23 3JHNHA . 1 1 34 34 ASN H . . . . 1 1 34 34 ASN HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 24 3JHNHA . 1 1 35 35 ILE H . . . . 1 1 35 35 ILE HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 25 3JHNHA . 1 1 36 36 MET H . . . . 1 1 36 36 MET HA . . . 3.4 . . 0.5 . . . . . . . . . . . 5513 1 26 3JHNHA . 1 1 37 37 GLU H . . . . 1 1 37 37 GLU HA . . . 2.7 . . 0.5 . . . . . . . . . . . 5513 1 27 3JHNHA . 1 1 38 38 PHE H . . . . 1 1 38 38 PHE HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 28 3JHNHA . 1 1 39 39 CYS H . . . . 1 1 39 39 CYS HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 29 3JHNHA . 1 1 40 40 LYS H . . . . 1 1 40 40 LYS HA . . . 3 . . 0.5 . . . . . . . . . . . 5513 1 30 3JHNHA . 1 1 41 41 ARG H . . . . 1 1 41 41 ARG HA . . . 2.9 . . 0.5 . . . . . . . . . . . 5513 1 31 3JHNHA . 1 1 42 42 PHE H . . . . 1 1 42 42 PHE HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 32 3JHNHA . 1 1 43 43 ASN H . . . . 1 1 43 43 ASN HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 33 3JHNHA . 1 1 44 44 ALA H . . . . 1 1 44 44 ALA HA . . . 2.9 . . 0.5 . . . . . . . . . . . 5513 1 34 3JHNHA . 1 1 45 45 GLU H . . . . 1 1 45 45 GLU HA . . . 4 . . 0.5 . . . . . . . . . . . 5513 1 35 3JHNHA . 1 1 46 46 THR H . . . . 1 1 46 46 THR HA . . . 8 . . 0.5 . . . . . . . . . . . 5513 1 36 3JHNHA . 1 1 47 47 ALA H . . . . 1 1 47 47 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 37 3JHNHA . 1 1 52 52 MET H . . . . 1 1 52 52 MET HA . . . 6 . . 0.5 . . . . . . . . . . . 5513 1 38 3JHNHA . 1 1 53 53 ILE H . . . . 1 1 53 53 ILE HA . . . 3.3 . . 0.5 . . . . . . . . . . . 5513 1 39 3JHNHA . 1 1 54 54 LEU H . . . . 1 1 54 54 LEU HA . . . 3.1 . . 0.5 . . . . . . . . . . . 5513 1 40 3JHNHA . 1 1 56 56 VAL H . . . . 1 1 56 56 VAL HA . . . 7.3 . . 0.5 . . . . . . . . . . . 5513 1 41 3JHNHA . 1 1 57 57 VAL H . . . . 1 1 57 57 VAL HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5513 1 42 3JHNHA . 1 1 58 58 ILE H . . . . 1 1 58 58 ILE HA . . . 4.3 . . 0.5 . . . . . . . . . . . 5513 1 43 3JHNHA . 1 1 59 59 THR H . . . . 1 1 59 59 THR HA . . . 7.2 . . 0.5 . . . . . . . . . . . 5513 1 44 3JHNHA . 1 1 60 60 VAL H . . . . 1 1 60 60 VAL HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5513 1 45 3JHNHA . 1 1 61 61 TYR H . . . . 1 1 61 61 TYR HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5513 1 46 3JHNHA . 1 1 62 62 GLU H . . . . 1 1 62 62 GLU HA . . . 2.7 . . 0.5 . . . . . . . . . . . 5513 1 47 3JHNHA . 1 1 63 63 ASP H . . . . 1 1 63 63 ASP HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5513 1 48 3JHNHA . 1 1 64 64 LYS H . . . . 1 1 64 64 LYS HA . . . 4 . . 0.5 . . . . . . . . . . . 5513 1 49 3JHNHA . 1 1 65 65 SER H . . . . 1 1 65 65 SER HA . . . 3.9 . . 0.5 . . . . . . . . . . . 5513 1 50 3JHNHA . 1 1 66 66 PHE H . . . . 1 1 66 66 PHE HA . . . 3.6 . . 0.5 . . . . . . . . . . . 5513 1 51 3JHNHA . 1 1 67 67 THR H . . . . 1 1 67 67 THR HA . . . 5.3 . . 0.5 . . . . . . . . . . . 5513 1 52 3JHNHA . 1 1 68 68 PHE H . . . . 1 1 68 68 PHE HA . . . 3.4 . . 0.5 . . . . . . . . . . . 5513 1 53 3JHNHA . 1 1 69 69 ILE H . . . . 1 1 69 69 ILE HA . . . 9.2 . . 0.5 . . . . . . . . . . . 5513 1 54 3JHNHA . 1 1 70 70 ILE H . . . . 1 1 70 70 ILE HA . . . 6.6 . . 0.5 . . . . . . . . . . . 5513 1 55 3JHNHA . 1 1 71 71 LYS H . . . . 1 1 71 71 LYS HA . . . 7.3 . . 0.5 . . . . . . . . . . . 5513 1 56 3JHNHA . 1 1 72 72 THR H . . . . 1 1 72 72 THR HA . . . 2.6 . . 0.5 . . . . . . . . . . . 5513 1 57 3JHNHA . 1 1 80 80 LYS H . . . . 1 1 80 80 LYS HA . . . 3.6 . . 0.5 . . . . . . . . . . . 5513 1 58 3JHNHA . 1 1 81 81 LYS H . . . . 1 1 81 81 LYS HA . . . 3.2 . . 0.5 . . . . . . . . . . . 5513 1 59 3JHNHA . 1 1 82 82 ALA H . . . . 1 1 82 82 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 60 3JHNHA . 1 1 83 83 ALA H . . . . 1 1 83 83 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 61 3JHNHA . 1 1 85 85 ILE H . . . . 1 1 85 85 ILE HA . . . 3.2 . . 0.5 . . . . . . . . . . . 5513 1 62 3JHNHA . 1 1 86 86 GLU H . . . . 1 1 86 86 GLU HA . . . 5 . . 0.5 . . . . . . . . . . . 5513 1 63 3JHNHA . 1 1 87 87 LYS H . . . . 1 1 87 87 LYS HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5513 1 64 3JHNHA . 1 1 89 89 SER H . . . . 1 1 89 89 SER HA . . . 5.6 . . 0.5 . . . . . . . . . . . 5513 1 65 3JHNHA . 1 1 90 90 SER H . . . . 1 1 90 90 SER HA . . . 5.8 . . 0.5 . . . . . . . . . . . 5513 1 66 3JHNHA . 1 1 91 91 GLU H . . . . 1 1 91 91 GLU HA . . . 4.4 . . 0.5 . . . . . . . . . . . 5513 1 67 3JHNHA . 1 1 93 93 LYS H . . . . 1 1 93 93 LYS HA . . . 6.2 . . 0.5 . . . . . . . . . . . 5513 1 68 3JHNHA . 1 1 94 94 ARG H . . . . 1 1 94 94 ARG HA . . . 6 . . 0.5 . . . . . . . . . . . 5513 1 69 3JHNHA . 1 1 95 95 LYS H . . . . 1 1 95 95 LYS HA . . . 4.8 . . 0.5 . . . . . . . . . . . 5513 1 70 3JHNHA . 1 1 96 96 ILE H . . . . 1 1 96 96 ILE HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5513 1 71 3JHNHA . 1 1 97 97 VAL H . . . . 1 1 97 97 VAL HA . . . 3 . . 0.5 . . . . . . . . . . . 5513 1 72 3JHNHA . 1 1 99 99 LYS H . . . . 1 1 99 99 LYS HA . . . 9.6 . . 0.5 . . . . . . . . . . . 5513 1 73 3JHNHA . 1 1 100 100 VAL H . . . . 1 1 100 100 VAL HA . . . 4.8 . . 0.5 . . . . . . . . . . . 5513 1 74 3JHNHA . 1 1 101 101 THR H . . . . 1 1 101 101 THR HA . . . 3.2 . . 0.5 . . . . . . . . . . . 5513 1 75 3JHNHA . 1 1 102 102 ARG H . . . . 1 1 102 102 ARG HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 76 3JHNHA . 1 1 103 103 LYS H . . . . 1 1 103 103 LYS HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 77 3JHNHA . 1 1 104 104 GLN H . . . . 1 1 104 104 GLN HA . . . 3.2 . . 0.5 . . . . . . . . . . . 5513 1 78 3JHNHA . 1 1 105 105 ILE H . . . . 1 1 105 105 ILE HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 79 3JHNHA . 1 1 106 106 GLU H . . . . 1 1 106 106 GLU HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 80 3JHNHA . 1 1 107 107 GLU H . . . . 1 1 107 107 GLU HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 81 3JHNHA . 1 1 108 108 ILE H . . . . 1 1 108 108 ILE HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 82 3JHNHA . 1 1 109 109 ALA H . . . . 1 1 109 109 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 83 3JHNHA . 1 1 110 110 LYS H . . . . 1 1 110 110 LYS HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5513 1 84 3JHNHA . 1 1 111 111 THR H . . . . 1 1 111 111 THR HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 85 3JHNHA . 1 1 112 112 LYS H . . . . 1 1 112 112 LYS HA . . . 7.5 . . 0.5 . . . . . . . . . . . 5513 1 86 3JHNHA . 1 1 113 113 MET H . . . . 1 1 113 113 MET HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 87 3JHNHA . 1 1 115 115 ASP H . . . . 1 1 115 115 ASP HA . . . 5.8 . . 0.5 . . . . . . . . . . . 5513 1 88 3JHNHA . 1 1 116 116 LEU H . . . . 1 1 116 116 LEU HA . . . 2.9 . . 0.5 . . . . . . . . . . . 5513 1 89 3JHNHA . 1 1 117 117 ASN H . . . . 1 1 117 117 ASN HA . . . 7.4 . . 0.5 . . . . . . . . . . . 5513 1 90 3JHNHA . 1 1 118 118 ALA H . . . . 1 1 118 118 ALA HA . . . 4.9 . . 0.5 . . . . . . . . . . . 5513 1 91 3JHNHA . 1 1 119 119 ASN H . . . . 1 1 119 119 ASN HA . . . 3.4 . . 0.5 . . . . . . . . . . . 5513 1 92 3JHNHA . 1 1 120 120 SER H . . . . 1 1 120 120 SER HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 93 3JHNHA . 1 1 121 121 LEU H . . . . 1 1 121 121 LEU HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 94 3JHNHA . 1 1 122 122 GLU H . . . . 1 1 122 122 GLU HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 95 3JHNHA . 1 1 123 123 ALA H . . . . 1 1 123 123 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 96 3JHNHA . 1 1 124 124 ALA H . . . . 1 1 124 124 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 97 3JHNHA . 1 1 125 125 MET H . . . . 1 1 125 125 MET HA . . . 2.8 . . 0.5 . . . . . . . . . . . 5513 1 98 3JHNHA . 1 1 126 126 LYS H . . . . 1 1 126 126 LYS HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 99 3JHNHA . 1 1 127 127 ILE H . . . . 1 1 127 127 ILE HA . . . 2.7 . . 0.5 . . . . . . . . . . . 5513 1 100 3JHNHA . 1 1 128 128 ILE H . . . . 1 1 128 128 ILE HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 101 3JHNHA . 1 1 129 129 GLU H . . . . 1 1 129 129 GLU HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 102 3JHNHA . 1 1 131 131 THR H . . . . 1 1 131 131 THR HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 103 3JHNHA . 1 1 132 132 ALA H . . . . 1 1 132 132 ALA HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 104 3JHNHA . 1 1 133 133 LYS H . . . . 1 1 133 133 LYS HA . . . . . 2.5 0.5 . . . . . . . . . . . 5513 1 105 3JHNHA . 1 1 134 134 SER H . . . . 1 1 134 134 SER HA . . . 3.1 . . 0.5 . . . . . . . . . . . 5513 1 106 3JHNHA . 1 1 135 135 MET H . . . . 1 1 135 135 MET HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5513 1 107 3JHNHA . 1 1 137 137 ILE H . . . . 1 1 137 137 ILE HA . . . 9.4 . . 0.5 . . . . . . . . . . . 5513 1 108 3JHNHA . 1 1 138 138 GLU H . . . . 1 1 138 138 GLU HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5513 1 109 3JHNHA . 1 1 139 139 VAL H . . . . 1 1 139 139 VAL HA . . . 6.7 . . 0.5 . . . . . . . . . . . 5513 1 110 3JHNHA . 1 1 140 140 VAL H . . . . 1 1 140 140 VAL HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5513 1 111 3JHNHA . 1 1 141 141 ASP H . . . . 1 1 141 141 ASP HA . . . 3.9 . . 0.5 . . . . . . . . . . . 5513 1 stop_ save_